9303 SMILES Strings for Delta-type opioid receptor

Compound Name
SMILES String
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1ccccc1
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCS(C)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
CCCC[C@H](N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
OC(=O)CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCN(CCc2ccccc2)CC1
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)CCC(=O)NC1CCN(CCc2ccccc2)CC1
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
CCC(=O)N(C1CCN(CC1)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1
CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1
CCC(=O)N(C1CCN(CC1)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1cc(C)c(O)c(C)c1)c1ccccc1
CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1
CCC(=O)N(C1CCN(CC1)C(=O)CCC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC=CC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O |r,w:15.15|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC=CC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O |w:15.15|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CC=C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC=C)C(O)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O
CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O
[H][C@@]12CCCc3cccc([C@@H](CC1)N1CCC4(CC1)N(CNC4=O)c1ccccc1)c23 |r|
CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(C)Cc1ccccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(C)Cc1cccc(F)c21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-3.79,1.7,;-2.46,4.01,)|
CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(C)Cc1cc(F)ccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-6.46,6.32,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
CN1Cc2ccccc2C2(CCN(CC2)C2CCC(CC2)C(C)(C)C)C1=O |(1.54,6.32,;.21,5.55,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,;-1.12,3.24,;-2.46,2.47,;-2.46,.93,;-1.12,.16,;.21,.93,;.21,2.47,;-1.12,-1.38,;-2.46,-2.15,;-2.46,-3.69,;-1.12,-4.46,;.21,-3.69,;.21,-2.15,;-1.12,-6,;.21,-6.77,;-2.46,-6.77,;-1.12,-7.54,;.21,4.01,;1.54,3.24,)|
CN1Cc2cccc(F)c2C2(CCN(CC2)C2CCC(CC2)C(C)(C)C)C1=O |(1.54,6.32,;.21,5.55,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-3.79,1.7,;-2.46,4.01,;-1.12,3.24,;-2.46,2.47,;-2.46,.93,;-1.12,.16,;.21,.93,;.21,2.47,;-1.12,-1.38,;-2.46,-2.15,;-2.46,-3.69,;-1.12,-4.46,;.21,-3.69,;.21,-2.15,;-1.12,-6,;.21,-6.77,;-2.46,-6.77,;-1.12,-7.54,;.21,4.01,;1.54,3.24,)|
CN1Cc2cc(F)ccc2C2(CCN(CC2)C2CCC(CC2)C(C)(C)C)C1=O |(1.54,6.32,;.21,5.55,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-6.46,6.32,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,;-1.12,3.24,;-2.46,2.47,;-2.46,.93,;-1.12,.16,;.21,.93,;.21,2.47,;-1.12,-1.38,;-2.46,-2.15,;-2.46,-3.69,;-1.12,-4.46,;.21,-3.69,;.21,-2.15,;-1.12,-6,;.21,-6.77,;-2.46,-6.77,;-1.12,-7.54,;.21,4.01,;1.54,3.24,)|
CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(Cc1ccccc1)Cc1ccccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;1.54,7.86,;.21,8.63,;.21,10.17,;1.54,10.94,;2.88,10.17,;2.88,8.63,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(Cc1ccccc1)Cc1cccc(F)c21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;1.54,7.86,;.21,8.63,;.21,10.17,;1.54,10.94,;2.88,10.17,;2.88,8.63,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-3.79,1.7,;-2.46,4.01,)|
CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(Cc1ccccc1)Cc1cc(F)ccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;1.54,7.86,;.21,8.63,;.21,10.17,;1.54,10.94,;2.88,10.17,;2.88,8.63,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-6.46,6.32,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
CC(C)(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(Cc1ccccc1)Cc1ccccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-7.54,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;1.54,7.86,;.21,8.63,;.21,10.17,;1.54,10.94,;2.88,10.17,;2.88,8.63,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
CC(C)(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(Cc1ccccc1)Cc1cccc(F)c21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-7.54,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;1.54,7.86,;.21,8.63,;.21,10.17,;1.54,10.94,;2.88,10.17,;2.88,8.63,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-3.79,1.7,;-2.46,4.01,)|
CC(C)(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(Cc1ccccc1)Cc1cc(F)ccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-7.54,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;1.54,7.86,;.21,8.63,;.21,10.17,;1.54,10.94,;2.88,10.17,;2.88,8.63,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-6.46,6.32,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)NCc1ccccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)NCc1cc(F)ccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-6.46,6.32,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
CC(C)(C)C1CCC(CC1)N1CCC2(CC1)C(=O)NCc1ccccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-7.54,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
CC(C)(C)C1CCC(CC1)N1CCC2(CC1)C(=O)NCc1cc(F)ccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-7.54,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-6.46,6.32,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
CNC(=O)C1(CCN(CC1)C1CCC(CC1)C(C)C)c1ccccc1 |(1.54,6.32,;.21,5.55,;.21,4.01,;1.54,3.24,;-1.12,3.24,;-2.46,2.47,;-2.46,.93,;-1.12,.16,;.21,.93,;.21,2.47,;-1.12,-1.38,;-2.46,-2.15,;-2.46,-3.69,;-1.12,-4.46,;.21,-3.69,;.21,-2.15,;-1.12,-6,;.21,-6.77,;-2.46,-6.77,;-2.46,4.01,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,)|
CC(C)C1CCC(CC1)N1CCC(CC1)(C(=O)NCc1ccccc1)c1ccccc1 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;1.54,7.86,;.21,8.63,;.21,10.17,;1.54,10.94,;2.88,10.17,;2.88,8.63,;-2.46,4.01,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,)|
CC(C)C1CCC(CC1)N1CCC(CC1)(C(N)=O)c1ccccc1 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;.21,5.55,;1.54,3.24,;-2.46,4.01,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,)|
CC1(C)CCC(N2CCC3(CC2)N(CN(CCNCC2CCCCC2)C3=O)c2ccccc2)c2ccccc12
CC1(C)CCC(N2CCC3(CC2)N(CN(CCNCc2ccccc2)C3=O)c2ccccc2)c2ccccc12
CCCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCCc3ccc(Cl)cc23)C1=O
CCCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCCc3c(Cl)cccc23)C1=O
CCCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3cc(Cl)ccc23)C1=O
CCCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3cc(Cl)c(Cl)cc23)C1=O
O=C1NCN(c2ccccc2)C11CCN(CC1)C(c1ccccc1)c1ccccc1
CN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O
CCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O
CCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O
CCCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O
CC(C)N1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O
O=C1N(CC2CC2)CN(c2ccccc2)C11CCN(CC1)C(c1ccccc1)c1ccccc1
O=C1N(CC2CCC2)CN(c2ccccc2)C11CCN(CC1)C(c1ccccc1)c1ccccc1
O=C1N(CC2CCCCC2)CN(c2ccccc2)C11CCN(CC1)C(c1ccccc1)c1ccccc1
O=C1N(CC#C)CN(c2ccccc2)C11CCN(CC1)C(c1ccccc1)c1ccccc1
C=CCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O
CCCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
CC(C)CCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
COC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
OCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
COCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
NCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
CNCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
CCNCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
CC(C)NCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
Clc1ccccc1C(N1CCC2(CC1)N(CN(CCNC1CCCC1)C2=O)c1ccccc1)c1ccccc1Cl
Clc1ccccc1C(N1CCC2(CC1)N(CN(CCNC1CCCCC1)C2=O)c1ccccc1)c1ccccc1Cl
CN(C)CCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
Clc1ccccc1C(N1CCC2(CC1)N(CN(CCNC1CC1)C2=O)c1ccccc1)c1ccccc1Cl
CC(C)N(CCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O)C(C)C
CCCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
CC(C)CNCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
Clc1ccccc1C(N1CCC2(CC1)N(CN(CCNCC1CCCCC1)C2=O)c1ccccc1)c1ccccc1Cl
Clc1ccccc1C(N1CCC2(CC1)N(CN(CCN1CCCC1)C2=O)c1ccccc1)c1ccccc1Cl
Clc1ccccc1C(N1CCC2(CC1)N(CN(CCCN1CCCC1)C2=O)c1ccccc1)c1ccccc1Cl
Clc1ccccc1C(N1CCC2(CC1)N(CN(CCN1CCCCC1)C2=O)c1ccccc1)c1ccccc1Cl
Clc1cccc(Cl)c1CN1CCC2(CC1)N(CNC2=O)c1ccccc1
CNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O
CCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O
CC(C)NCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O
Clc1cccc(Cl)c1CN1CCC2(CC1)N(CN(CCNCC1CC1)C2=O)c1ccccc1
Clc1cccc(Cl)c1CN1CCC2(CC1)N(CN(CCNC1CCC1)C2=O)c1ccccc1
CCCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O
CC(C)CNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O
CCCCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O
CCN(CC)CCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O
Clc1cccc(Cl)c1CN1CCC2(CC1)N(CN(CCN1CCCC1)C2=O)c1ccccc1
CCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
CC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
CC1(C)CCC(N2CCC3(CC2)N(CN(CCO)C3=O)c2ccccc2)c2ccccc12
CNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
CCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
CC(C)NCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
CC1(C)CCC(N2CCC3(CC2)N(CN(CCNC2CCCC2)C3=O)c2ccccc2)c2ccccc12
CC1(C)CCC(N2CCC3(CC2)N(CN(CCNC2CCCCC2)C3=O)c2ccccc2)c2ccccc12
CCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
CC1(C)CCC(N2CCC3(CC2)N(CN(CCNCC=C)C3=O)c2ccccc2)c2ccccc12
CC1(C)CCC(N2CCC3(CC2)N(CN(CCNC2CCC2)C3=O)c2ccccc2)c2ccccc12
CC1(C)CCC(N2CCC3(CC2)N(CN(CCNCC2CC2)C3=O)c2ccccc2)c2ccccc12
CC(C)CNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
CC(C)N(CCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O)C(C)C
CC1(C)CCC(N2CCC3(CC2)N(CN(CCN2CCCC2)C3=O)c2ccccc2)c2ccccc12
CCCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
CC(C)CCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
CC1(C)CCC(N2CCC3(CC2)N(CNC3=O)c2ccccc2)c2ccccc12
[#6]-c1ccc2nc(-[#7]-[#6](=O)-c3ccc(Cl)cc3)nc(-[#7]-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3\[#7]=[#6](/[#7])-[#7])c2c1
[#6]-c1ccc2nc(-[#7]-[#6](=O)-c3ccc(Cl)cc3)nc(-[#7]-[#6@H]-3-[#6]-[#6]-[#6]-[#6]-[#6@H]-3\[#7]=[#6](/[#7])-[#7])c2c1 |r|
[#6]-c1ccc2nc(-[#7]-[#6](=O)-c3ccc(Cl)cc3)nc(-[#7]-[#6@@H]-3-[#6]-[#6]-[#6]-[#6]-[#6@@H]-3\[#7]=[#6](/[#7])-[#7])c2c1 |r|
OC[C@@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r|
CC(C)(C)OC(=O)N1CC2CN(CC2C1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NCC(O)CO)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:27:2.3|
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(N)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:24:2.3|
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CCC(CC3)C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:30:2.3|
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CC[C@@H](N)C3)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:27:2.3|
[H][C@]12CC[C@]([H])(C[C@]([H])(C1)n1c3ccccc3nc(N[C@@H](CO)C(N)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:28:2.3|
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NCC(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:26:2.3|
OC(=O)Cc1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O |r|
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CCC(CC(O)=O)C3)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:30:2.3|
Cc1cc(C)nc(SCc2ccc(cc2)C(=O)NN\C=C2/C=CC=C(O)C2=O)n1 |c:22,t:24|
O=C1CCN(N1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
[H][C@]12CC[C@]([H])(C[C@@](C)(C1)n1c3ccccc3nc(C(=O)Nc3ccc(OC)nc3)c1=O)N2C1CCCCCCC1 |r,TLB:8:7:32:2.3,10:7:32:2.3|
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(=O)NOC)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:26:2.3|
C[C@@H](CN1[C@H](Cc2ccc(O)cc2)CN2[C@H](Cc3ccccc3)CN=C12)NC(=O)c1ccc(C)c(Br)c1 |t:26|
Fc1ccc(cc1)C(=O)OCn1ncc(Br)c(Br)c1=O
Cc1[nH]c2ccccc2c1\C=C1/SC(=N)N(C1=O)c1nccs1
Fc1c(F)c(F)c(c(F)c1F)-c1cc(=O)c2ccccc2o1
CCC(=O)OCCNc1cc(Sc2nccn2C)c2nonc2c1[N+]([O-])=O
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(C)NC(=O)Cn1ncc(Cl)c(Cl)c1=O |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:5:6:11:3.12.2|
Clc1ncnc2n(-c3ccccc3)c(=S)sc12
CNc1cc(Cl)c2nonc2c1[N+]([O-])=O
Clc1cnn(CC(=O)N2CCc3ccccc23)c(=O)c1Cl
[O-]c1ccccc1Nc1cc(Cl)c2[nH+]onc2c1[N+]([O-])=O
COc1cc(OC)c(OC)cc1CCC(C)NCCC(c1ccccc1)c1ccccc1
CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)N(C)c1ccccc1
CCc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
[H]C12CCCC([H])(CC(C1)NC(=O)c1ccc(OCC)cc1)N2Cc1ccccc1
[H]C12CCCC([H])(CC(C1)NC(=O)c1ccc(C)cc1)N2Cc1ccc(C)cc1
COc1ccc(CN(CC2CCCO2)C(=O)CN2C(=O)COc3ccccc23)cc1OC
COc1ccc(CN(Cc2ccccn2)C(=O)CN2C(=O)COc3ccccc23)cc1
Cc1ccc(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)c(C)c1
Cc1ccc(C)c(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)c1
Clc1cccc(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)c1
Clc1cccc(Cl)c1NC(=S)NC(NC(=O)OCc1ccccc1)C(Cl)(Cl)Cl
Clc1cc(Cl)c(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)c(Cl)c1
CCC(N=Nc1ccnc2cc(Cl)ccc12)c1ccc(O)cc1 |w:3.2|
Oc1ccc(CN=Nc2ccnc3cc(Cl)ccc23)cc1O |w:7.7|
CC(C)(C)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1
CN(C)C(CNC(=O)c1ccc(CNS(=O)(=O)c2ccc(cc2)C(C)=O)cc1)c1ccccc1
CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(CNS(=O)(=O)c2ccc(cc2)C(C)=O)cc1
Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c(Cl)c1
CCCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccccn1
CCCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccn1
O=C(N(Cc1cc2ccccc2[nH]c1=O)C1CCCCC1)c1ccccn1
CCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccccn1
CCCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)c1ccccn1
CCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccccn1
CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccccn1
Brc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1
COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(-c2ccccn2)n1Cc1ccco1
Clc1cccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c1
Clc1ccc(cc1)C(=O)CSc1nnc(-c2ccccn2)n1Cc1ccco1
Clc1ccccc1CSc1nnc(-c2ccccn2)n1Cc1ccco1
COc1ccc(cc1)C(=O)CSc1nnc(-c2ccccn2)n1Cc1ccco1
COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccccn2)n1Cc1ccco1
O=C(N1CCN(Cc2ccccc2)CC1)c1ccc(CNS(=O)(=O)c2ccccc2)cc1
Cc1cccc(C)c1NC(=O)C1(CCCC1)N(Cc1ccco1)C(=O)c1ccccn1
C(Sc1nnc(-c2ccccn2)n1Cc1ccco1)\C=C\c1ccccc1
COc1ccc(CC2(CO)CCN(Cc3nccn3-c3cccc(C)c3)CC2)cc1
Cc1cccc(c1)-n1ccnc1CN1CCC(CO)(CC2CCCCO2)CC1
Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(Cl)c2cccnc12 |w:15.17|
Oc1c(C=Nc2cccc3cccnc23)sc2ccccc12 |w:4.4|
Cc1ccc(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)cc1
Clc1ccc(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)c(Cl)c1
Clc1ccc(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)cc1Cl
ClC(Cl)(Cl)C(NC(=O)OCc1ccccc1)NC(=S)Nc1ccc(Br)cc1
ClC(Cl)(Cl)C(NC(=O)OCc1ccccc1)NC(=S)Nc1cccc(Br)c1
Fc1ccc(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)cc1
ClC(Cl)(Cl)C(NC(=O)OCc1ccccc1)NC(=S)Nc1ccccc1
CCC(C)(N(Cc1cccs1)C(=O)c1ccccn1)C(=O)NC1CCCC1
O=C(NC1CCCCC1)C1(CCCCC1)N(Cc1ccco1)C(=O)c1ccccn1
O=C(NC1CCCCC1)C1(CCCCC1)N(Cc1cccs1)C(=O)c1ccccn1
O=C(NC1CCCCC1)C1(CCCCC1)N(Cc1cccs1)C(=O)c1cnccn1
COc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(C)Cc1ccccc1
COc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)N1CCN(Cc2ccccc2)CC1
Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)N1CCN(Cc2ccccc2)CC1
CN(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1)Cc1ccccc1
COc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ccccc3n3cccc3c2=O)CC1
Fc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ccccc3n3cccc3c2=O)CC1
COc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ncccc3n3cccc3c2=O)CC1
Fc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ncccc3n3cccc3c2=O)CC1
Cc1ccc(C)c(c1)N1CCN(CCCNC(=O)Cn2c3ncccc3n3cccc3c2=O)CC1
Cc1ccc(C)c(c1)N1CCN(CCCNC(=O)CCn2c3ncccc3n3cccc3c2=O)CC1
CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
CCC(C)(N(Cc1ccco1)C(=O)c1ccccn1)C(=O)NC1CCCCC1
CCC(C)(N(Cc1ccco1)C(=O)c1cnccn1)C(=O)NC1CCCCC1
O=C(NC1CCCC1)C1(CCCCC1)N(Cc1ccco1)C(=O)c1cnccn1
Brc1ccc(NC(=O)C2(CCCCC2)N(Cc2ccco2)C(=O)c2ccccn2)cc1
COC(=O)[C@H](Cc1c[nH]c2ccccc12)n1cc(nn1)-c1cc(cc(c1)-c1cn(nn1)[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N1CCNCC1
Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1Cl
COc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1
Cc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1
C(Sc1nnc(-c2ccccn2)n1Cc1ccco1)c1ccccc1
C(Sc1nnc(-c2ccccn2)n1Cc1cccs1)c1ccccc1
Cc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1
Brc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1
COc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1
Fc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)c(F)c1
Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)c(Cl)c1
Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1Cl
CCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)C
CCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCc1ccccc1
CC(C)N(CCCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
Cc1cc(C)c(c(C)c1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1Cc2ccccc2C1
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(=O)Nc3ccc(=O)[nH]c3)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:31:2.3|
[H][C@]12CC[C@]([H])(C[C@]([H])(C1)n1c3ccccc3nc(C(=O)Nc3ccc(OC)nc3)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:32:2.3|
[H][C@]12CC[C@]([H])(C[C@]([H])(C1)n1c3ccccc3nc(C(=O)Nc3ccc(=O)[nH]c3)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:31:2.3|
[O-][N+](=O)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1
N#Cc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1
FC(F)(F)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1
COC(=O)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1
CC(=O)Oc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1
CC(C)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1
Cc1ccccc1CSc1nnc(-c2ccccn2)n1Cc1ccco1
COc1cccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c1
Cc1c(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cccc1[N+]([O-])=O
Fc1cc(F)cc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c1
Fc1cccc(F)c1CSc1nnc(-c2ccccn2)n1Cc1ccco1
Fc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c(F)c1F
Cc1cc(C)c(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c(C)c1
Fc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c(c1)C(F)(F)F
FC(F)(F)c1cc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)ccc1Cl
[O-][N+](=O)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1
N#Cc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1
FC(F)(F)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1
COC(=O)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1
CC(=O)Oc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1
CC(C)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1
Cc1ccccc1CSc1nnc(-c2ccccn2)n1Cc1cccs1
COc1cccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)c1
Cc1c(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cccc1[N+]([O-])=O
Fc1cc(F)cc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)c1
Fc1cccc(F)c1CSc1nnc(-c2ccccn2)n1Cc1cccs1
Fc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)c(F)c1F
Cc1cc(C)c(CSc2nnc(-c3ccccn3)n2Cc2cccs2)c(C)c1
Fc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)c(c1)C(F)(F)F
FC(F)(F)c1cc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)ccc1Cl
Clc1ccccc1CSc1nnc(-c2ccccn2)n1Cc1cccs1
CCN(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)Cc1ccccc1
Cc1cccc(c1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1Cc2ccccc2C1
CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2cccc(C)c2)cc1)Cc1ccccc1
CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2cccc(C)c2)cc1)Cc1ccc(C)cc1
CCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1Cc2ccccc2C1
CCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccc(C)cc1)C(C)C
CCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccc(Br)cc1)C(C)C
Cc1cccc(c1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)Cc1ccccc1
CCN(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(CC)cc2)cc1)Cc1ccccc1
CCC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(CC)cc2)cc1)Cc1ccccc1
CCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(C)[C@@H](C)c1ccccc1
CCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)Cc1ccccc1
Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1Cc2ccccc2C1
CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccc(Br)cc1
CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccc(C)cc1
COc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)C
COc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1Cc2ccccc2C1
COc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccc(Br)cc1)C(C)C
CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1)Cc1ccccc1
Brc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1Cc2ccccc2C1
CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1)Cc1ccc(Br)cc1
COc1ccc(CN(CCNC(=O)c2ccc(CNS(=O)(=O)c3ccc(C)cc3)cc2)C(C)C)cc1
CCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccc(OC)cc1)C(C)C
COc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)Cc1ccccc1
Brc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)Cc1ccccc1
CCN(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(OC)cc2)cc1)Cc1ccccc1
CCN(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1)Cc1ccccc1
O=C(Cn1c2ccccc2n2cccc2c1=O)NCCCN1CCN(Cc2ccccc2)CC1
Fc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3cc(F)ccc3n3cccc3c2=O)CC1
O=C(Cn1c2ncccc2n2cccc2c1=O)NCCCN1CCOCC1
CN1CCN(CCCNC(=O)Cn2c3ncccc3n3cccc3c2=O)CC1
O=C(Cn1c2ncccc2n2cccc2c1=O)NCCCN1CCCCC1
O=C(Cn1c2ncccc2n2cccc2c1=O)NCCCN1CCC(Cc2ccccc2)CC1
O=C(Cn1c2ncccc2n2cccc2c1=O)NCCCN1CCN(Cc2ccccc2)CC1
Cc1ccc(Cl)cc1N1CCN(CCNC(=O)Cn2c3ncccc3n3cccc3c2=O)CC1
Cc1cccc(N2CCN(CCNC(=O)Cn3c4ncccc4n4cccc4c3=O)CC2)c1C
Cc1ccnc2n(CC(=O)NCCCN3CCN(CC3)c3ccccc3)c(=O)c3cccn3c12
CN(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1)Cc1ccccc1
O=C(NCCN(Cc1ccccc1)Cc1ccccc1)c1ccc(CNS(=O)(=O)c2ccccc2)cc1
CCN(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccccc2)cc1)Cc1ccccc1
COc1ccc(CN(CCNC(=O)c2ccc(CNS(=O)(=O)c3ccccc3)cc2)C(C)C)cc1
Cc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3nccc(C)c3n3cccc3c2=O)CC1
COc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3nccc(C)c3n3cccc3c2=O)CC1
Cc1ccnc2n(CC(=O)NCCCN3CCN(CC3)c3ccc(Cl)cc3)c(=O)c3cccn3c12
Cc1ccnc2n(CC(=O)NCCCN3CCN(CC3)c3ccc4OCOc4c3)c(=O)c3cccn3c12
COc1ccc(N2CCN(CCCNC(=O)Cn3c4nccc(C)c4n4cccc4c3=O)CC2)c(OC)c1
CC(C)OC(=O)C1(CCCCC1)N(Cc1ccco1)C(=O)c1ccccn1
O=C(Cn1c2ncccc2n2cccc2c1=O)NCCCN1CCN(CC1)c1ccccc1
Cc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ncccc3n3cccc3c2=O)CC1
Clc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ncccc3n3cccc3c2=O)CC1
O=C(Cn1c2ncccc2n2cccc2c1=O)NCCCN1CCN(CC1)c1ccc2OCOc2c1
COc1ccc(N2CCN(CCCNC(=O)Cn3c4ncccc4n4cccc4c3=O)CC2)c(OC)c1
COc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ncc(Br)cc3n3cccc3c2=O)CC1
Clc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ncc(Br)cc3n3cccc3c2=O)CC1
COc1ccc(N2CCN(CCCNC(=O)Cn3c4ncc(Br)cc4n4cccc4c3=O)CC2)c(OC)c1
Brc1cnc2n(CC(=O)NCCCN3CCN(CC3)c3ccc4OCOc4c3)c(=O)c3cccn3c2c1
Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)(C)C
CCCCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)C
CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(cc2)-c2ccccc2)cc1)Cc1ccccc1
CCC(C)(C)c1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)C
CCCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)C
CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(cc2)C(C)(C)C)cc1)Cc1ccccc1
CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc3ccccc3c2)cc1)Cc1ccccc1
CC(C)Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)C
CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(cc2)C2CCCCC2)cc1)Cc1ccccc1
CCC(C)c1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)C
Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NC1CCCN(Cc2ccccc2)C1
Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)CC1
Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)C1
CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(cc2)C(C)C)cc1)Cc1ccccc1
CC(C)N(CCNC(=O)c1ccc2CN(CCc2c1)S(=O)(=O)c1ccc(C)cc1)Cc1ccccc1
CC(C)N(CCNC(=O)c1ccc2CCN(Cc2c1)S(=O)(=O)c1ccc(C)cc1)Cc1ccccc1
Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1ccccc1
Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1CCC(CC1)c1ccccc1
Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCCN1CCN(CC1)c1ccccc1
Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C1CCCC1
Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1CCc2ccccc2C1
COc1ccc(cc1)N1CCN(CCNC(=O)Cn2c3nccc(C)c3n3cccc3c2=O)CC1
COc1ccc(cc1)N1CCN(CCCCNC(=O)Cn2c3nccc(C)c3n3cccc3c2=O)CC1
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(=O)NCC(O)CO)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:29:2.3|
[H][C@@]12CC[C@@](C)(C[C@]([H])(C1)N1C(=O)C(N[C@@H](CO)C(O)=O)Nc3ccccc13)N2C1CCCCCCC1 |r,TLB:10:7:28:3.2|
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(=O)NO)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:25:2.3|
[H][C@]12CC[C@](C)(C[C@@]([H])(C1)n1c3ccccc3nc(C(=O)NCC(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:28:2.3|
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(=O)NC(CO)C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:30:2.3|
[H][C@]1(C[C@@H]2CC[C@H](C1)N2C12CC3CC(CC(C3)C1)C2)n1c2ccccc2nc(C(O)=O)c1=O |r,TLB:16:11:18:15.17.14,16:15:18:11.10.12,12:13:17:11.10.16,THB:12:11:17:18.13.14|
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NCCNCC(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:29:2.3|
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NCCN(CC(O)=O)CC(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:33:2.3|
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N[C@H](C(O)=O)c3ccccc3)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:32:2.3|
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N[C@@H](Cc3ccccc3)C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:33:2.3|
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CCC(O)(CC3)C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:31:2.3|
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CCC4(CC3)NC(=O)NC4=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:33:2.3|
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NCCN3CCC(CC3)C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:33:2.3|
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NCC(=O)NCC(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:30:2.3|
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CCC(N)(CC3)C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:31:2.3|
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CCNC(=O)C3)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:28:2.3|
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NCCNC(CO)C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:31:2.3|
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CCC(CC3)(NC(C)=O)C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:34:2.3|
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CCC(O)(C3)C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:30:2.3|
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NCCN(CC(N)=O)CC(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:33:2.3|
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NC(C)(C)C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:28:2.3|
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NC3(CCCCC3)C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:31:2.3|
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CCN(C(O)=O)C(=O)C3)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:31:2.3|
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CC4CN(CC(O)=O)CC4C3)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:33:2.3|
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NCC(=O)N3CCCC3C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:33:2.3|
OC(=O)C(=O)N1CC2CN(CC2C1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CCC(CC(O)=O)CC3)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:31:2.3|
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CCC(N)(C3)C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:30:2.3|
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N(CCO)CC(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:29:2.3|
[H][C@]12CCC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(=O)OCC)c1=O)N2C1CCCCCCC1 |r,TLB:11:8:27:2.4.3|
[H][C@]12CCC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:11:8:25:2.4.3|
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCC(CC1)C(C)C |r,wU:7.10,1.0,wD:4.4,7.7,TLB:10:7:24:2.3,(-2.68,-3.07,;-1.35,-2.3,;-.58,-.97,;1.3,-1.91,;-.19,-2.3,;.9,-3.39,;-1.42,-1.37,;-2,.05,;-.67,.82,;-2.57,-1.37,;-2,1.59,;-3.33,2.36,;-4.67,1.59,;-6,2.36,;-6,3.9,;-4.67,4.67,;-3.33,3.9,;-2,4.67,;-.67,3.9,;.67,4.67,;2,3.9,;.67,6.21,;-.67,2.36,;.67,1.59,;-.76,-3.73,;-.76,-5.27,;-2.09,-6.04,;-2.09,-7.58,;-.76,-8.35,;.57,-7.58,;.57,-6.04,;-.76,-9.89,;-1.85,-10.98,;.33,-10.98,)|
[H][C@]12COC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:11:8:25:2.4.3|
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(=O)OCC)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:26:2.3|
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C12CC3CC(CC(C3)C1)C2 |r,TLB:28:29:33:27.26.32,32:27:34:31.33.30,32:31:34:27.26.28,10:7:24:2.3,THB:28:27:33:34.29.30|
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1Cc2cccc3cccc1c23 |r,TLB:10:7:24:2.3|
CC1(CCCCCCC1)N1CCC(CC1)n1c2ccccc2nc(C(O)=O)c1=O
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C12CC3CC(C)(CC(C)(C3)C1)C2 |r,TLB:34:32:36:26.27.28,34:27:36:32.35.31,10:7:24:2.3,THB:31:32:26:29.36.28,31:29:26:32.35.34,33:32:26:29.36.28,33:32:36:26.27.28|
[H][C@]12CCC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C12CC3CC(CC(C3)C1)C2 |r,TLB:29:30:34:28.27.33,33:28:35:32.34.31,33:32:35:28.27.29,11:8:25:2.4.3,THB:29:28:34:35.30.31|
CCC1(CCCCCCC1)N1CCC(CC1)n1c2ccccc2nc(C([O-])=O)c1=O
CCCC1(CCCCCCC1)N1CCC(CC1)n1c2ccccc2nc(C(O)=O)c1=O
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CC[C@H](C3)NC(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:30:2.3|
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(Nc3cnccc3C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:31:2.3|
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CC[C@H](C3)N(C)C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:31:2.3|
c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=N)N
NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCc1ccccc1 |w:14.15|
NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
C1CN(CCN1)c1cccc2OCCOc12
[H][C@]12Cc3ccc(O)c4OC5[C@](CCN1CC1CC1)(c34)[C@@]21CCC5(OC)C(C1)C(C)(C)O |TLB:28:26:11.10:21.22,8:19:20:14.12.13,4:3:20:14.12.13|
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(O)=O
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r|
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)ccc5O |TLB:13:12:8.9.10:1.3.2|
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8
C=CCN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1C5)O)O
CCC(OC(C)=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1
CO[C@@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |THB:8:7:25.24:4.3|
COc1ccc2CC3C4C=CC(O)C5Oc1c2C45CCN3C |c:9,THB:9:8:20.19.18:6.5.16|
Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC=C)c2c1 |TLB:8:7:19.4.5:15.13.14|
COc1ccc2CC3C4CCCCC4(CCN3C)c2c1 |TLB:19:18:8:16.14.15,17:16:8:18.5.6|
CN1CCC23CCCCC2C1Cc1ccc(O)cc31 |TLB:0:1:9:18.12.11,THB:17:18:9:1.3.2|
COc1ccc2CC3C4C=CC(O[Si](C)(C)C)C5Oc1c2C45CCN3C |c:9,THB:9:8:24.23.22:6.5.20|
CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CCC35O |TLB:20:21:16.5.6:8.11.10,THB:22:21:16.5.6:8.11.10|
CCC(=O)O[C@@](Cc1ccccc1)([C@H](C)CN(C)C)c1ccccc1
C1CN=C(N1)[NH2+]c1cccc2CCCCc12 |c:2|
CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C(C)(C)CC(C)(C)C |r,TLB:10:7:24:2.3|
[H][C@]12CCC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCCCCCCCC1 |r,TLB:11:8:25:2.4.3|
[H][C@]12CCC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCCCCCCC1 |r,TLB:11:8:25:2.4.3|
[H][C@]12CCC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2[C@@]1([H])C2CCCC1CCC2 |r,TLB:11:8:25:2.4.3,25:26:30.31.29:35.34.33|
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCCCCCCCC1 |r,TLB:10:7:24:2.3|
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2[C@@]1([H])C2CCCC1CCC2 |r,TLB:10:7:24:2.3,24:25:29.30.28:34.33.32|
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCCCCCCC1 |r,TLB:10:7:24:2.3|
[H][C@]1(C[C@@H]2CC[C@H](C1)N2C1CCCCCCC1)n1c2ccccc2nc(C(=O)NC(Cc2c[nH]cn2)C(O)=O)c1=O |r|
[H][C@]1(C[C@@H]2CC[C@H](C1)N2C1CCCCCCC1)n1c2ccccc2nc(C(=O)NC(Cc2ccccc2)C(O)=O)c1=O |r|
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCCCCCCCCCC1 |r,TLB:10:7:24:2.3|
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
CC[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(CC)CCN2Cc1ccoc1 |TLB:18:17:2:11.4.5,THB:10:11:2:17.15.16|
Oc1ccc2CC3N(CC=C)CCC45[C@H](Oc1c24)C(CCC35O)=NNC(=O)c1ccccc1 |w:23.28,TLB:22:21:7.11.12:17.5.4,THB:8:7:21:17.5.4,16:17:21:7.11.12|
[H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Oc1ccc2CC(C3CC3)N3CCC45C(Oc1c24)c1[nH]c2C4Oc6c7c(CC(C8CC8)N8CCC47C(O)(C8)Cc2c1CC5(O)C3)ccc6O |TLB:7:6:12.11:44.42,43:42:6.5.4.17:12.11,28:27:35.37:32.33,THB:23:24:35.37:32.33,45:25:35.37:32.33,41:42:6.5.4.17:12.11,16:17:12.11:44.42,3:4:12.11:44.42,36:35:32.33:25.24.26.27|
C(CNC(CO)(CO)CO)CS(=O)(=O)O
CN(C1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
[H][C@]12CCC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CC2CCCC(C2)C1 |r,@:26,TLB:11:8:25:2.4.3|
Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(CCC35O)N(CCCl)CCCl |TLB:21:22:7.12.13:5.4.18,THB:23:22:7.12.13:5.4.18|
Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccccc1 |w:25.31,TLB:17:18:23:7.13.12,3:4:23:7.13.12|
CCC12CCN(CC3(O)CC3)C(Cc3ccc(O)cc13)C2(C)C |TLB:6:5:20:19.13.12|
CCN(CC)C(=O)c1ccc(cc1)[C@H](N1C[C@H](C)N(CC=C)C[C@H]1C)c1cccc(O)c1
C[C@@H](O)[C@H](NC(=O)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O
[#7]-[#6](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1-[#6](=O)-[#7]-[#6](-[#6]-[#8])-[#6](-[#7])=O
CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |THB:8:7:22.21:4.3|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(O)cc21 |TLB:6:5:13.21.15:11,14:13:11:5.3.4,THB:20:21:11:5.3.4|
CCCC(C)(O)C1CC23C=CC1(OC)C1Oc4c5c(CC2N(C)CCC315)ccc4O |c:9,TLB:16:17:8:24.23.21,7:8:24.23.21:19.18.17,9:8:24.23.21:19.18.17,THB:22:21:8:19.18.17,(7.51,1.44,;6.12,.92,;4.97,1.86,;3.58,1.33,;3.06,2.72,;4.11,-.06,;2.19,.81,;1.92,-.83,;.53,-1.78,;.54,-.47,;1.16,.67,;.87,1.89,;.87,3.38,;-.41,4.13,;-.43,.85,;-1.52,1.9,;-2.75,1.03,;-2.22,-.44,;-3.43,-1.4,;-2.64,-2.71,;-1.09,-2.63,;-1.24,-4.18,;-2.27,-5.25,;.23,-3.98,;-.13,-2.47,;-.69,-.85,;-4.92,-.98,;-5.27,.51,;-4.18,1.56,;-4.48,3.02,)|
CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |r|
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r|
O[C@H]1C=CC2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 |c:2,TLB:3:4:22.7.6:18.16.17|
Oc1ccc2CC3N(CC=C)CCC45C(Oc1c24)C(CCC35O)=NN=C1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC=C)c45 |w:24.28,18.21,TLB:27:28:43.42.41:31.32.47,22:21:5.4.17:12.11.7,20:21:5.4.17:12.11.7,THB:29:28:43.42.41:31.32.47|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
c1cc(c2c3c1C[C@@H]4[C@]5([C@]3(CCN4CC6CC6)[C@@H](O2)c7c(c8c([nH]7)[C@H]9[C@@]12CCN([C@@H]([C@@]1(C8)O)Cc1c2c(c(cc1)O)O9)CC1CC1)C5)O)O
c1ccc2c(c1)c3c(o2)[C@H]4[C@@]56CCN([C@@H]([C@@]5(C3)O)Cc7c6c(c(cc7)O)O4)CC8CC8
CN([C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O)C(=O)C1CCCN1C(=O)C(N)Cc1ccc(O)cc1
CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)CC1(Cc2ccccc2C1)C4=O)ccc5O |TLB:26:9:12:1.3.2,7:8:12:1.3.2|
CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1
CN1CCN(CC1)C(c1nnnn1Cc1ccccc1)c1cc2cccc(C)c2[nH]c1=O
Cc1ccc(C)c(CN2CCC(CC2)n2nnc3cc(F)ccc23)c1
CCC(=O)OC1(CC(C)N(C)CC1C)c1cccc(C)c1
O=S(=O)(NC1CC1)c1ccc(cc1)S(=O)(=O)N1CCCC2(CCCCC2)C1
Clc1c(sc2ccccc12)C(=O)N(Cc1ccco1)C1CCS(=O)(=O)C1
Cc1cc(=O)oc2cc(NC(=O)C3COc4ccccc4O3)ccc12
CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)C(C#N)c2nc3ccccc3[nH]2)c1C
CN(C)C(CNC(=O)CCOc1cccc(C)c1)c1ccccc1
CN(C)C(CNC(=O)NC1CCCCC1)c1cccnc1
CCCC(=O)NC(C)C(N1CCN(CC1)c1ccccc1)c1cccs1
COc1ccc(cc1OC)-c1nc(CN2CCC(CC2)C(=O)NC2CCCc3ccccc23)c(C)o1
CSCCC(N1C(=O)c2ccccc2C1=O)C(=O)C(C#N)c1nc2ccccc2[nH]1
CC(C)c1ccc(NC(=O)N(CCc2nc3ccccc3[nH]2)C2CCCC2)cc1
Cc1ccc2cc(C(N3CCc4ccccc34)c3nnnn3Cc3ccccc3)c(=O)[nH]c2c1
Cc1ccc(Cn2c3ccccc3n(CC(O)COc3ccccc3)c2=N)cc1
Cn1c(CN2CCN(CC2)c2cccc(Cl)c2)nc2ccccc12
COc1ccc2c(Cl)c(sc2c1)-c1nnc(SCC(=O)c2ccccc2)n1C
Cc1c(oc2cc(C)ccc12)C(=O)N(Cc1cccs1)C1CCS(=O)(=O)C1
CCc1ccc(NC(=O)N(CCCN2CCOCC2)Cc2cccs2)cc1
CCc1ccc(NC(=O)Nc2ccc3SCC(=O)N(C)c3c2)cc1
O=C(Nc1ccccc1)c1ccc(NC2CCCCC2)c(c1)S(=O)(=O)N1CCOCC1
Clc1ccc(-c2nc3ncccc3n2OCc2ccccc2)c(Cl)c1
COc1ccc(cc1)C1CC(c2ccc(OC)cc2)n2nc(NC(=O)c3cccs3)nc2N1
CC(=O)Nc1ccc(cc1)S(=O)(=O)NC1=C(N2CCN(Cc3ccccc3)CC2)C(=O)c2ccccc2C1=O |c:15|
Nc1nonc1C(=O)NCCNCc1c(OCc2ccccc2F)ccc2ccccc12
COCCCn1c(N)c(-c2nc3ccccc3n2C)c2nc3ccccc3nc12 |(9.35,-7.82,;8.88,-6.36,;9.91,-5.21,;9.43,-3.75,;10.46,-2.6,;9.98,-1.14,;10.88,.1,;12.42,.1,;9.98,1.34,;10.46,2.81,;11.91,3.28,;11.92,4.81,;13.07,5.83,;12.75,7.34,;11.28,7.82,;10.14,6.79,;10.46,5.28,;9.56,4.05,;8.02,4.05,;8.52,.87,;7.19,1.64,;5.85,.87,;4.48,1.7,;3.08,.91,;3.08,-.7,;4.48,-1.49,;5.85,-.67,;7.19,-1.44,;8.52,-.67,)|
Cn1c(nc2ccccc12)-c1c(N)n(CCc2ccccc2)c2nc3ccccc3nc12 |(8.02,4.2,;9.56,4.2,;10.46,2.97,;11.91,3.43,;11.92,4.97,;13.07,5.99,;12.75,7.5,;11.28,7.98,;10.14,6.95,;10.46,5.44,;9.98,1.5,;10.88,.26,;12.42,.26,;9.98,-.98,;10.46,-2.44,;9.43,-3.59,;9.91,-5.05,;8.88,-6.2,;9.35,-7.66,;10.86,-7.98,;11.89,-6.83,;11.41,-5.37,;8.52,-.51,;7.19,-1.28,;5.85,-.51,;4.48,-1.33,;3.08,-.54,;3.08,1.06,;4.48,1.86,;5.85,1.03,;7.19,1.8,;8.52,1.03,)|
Brc1ccc(NC2=Nc3ccccc3CC2)cc1 |t:6|
COc1cc(cc(NC(=O)c2ccco2)c1OC)C(=O)OC(C)C(=O)NCC1CCCCC1
Oc1cc(=C)c(NOS(=O)(=O)c2ccccc2)cc1=C
CN(C)C1(CNC(=O)c2ccc(Cl)c(c2)S(=O)(=O)NCc2ccco2)CCCCC1
COc1ccc(cc1)C(CNC(=O)CCOc1ccccc1)N(C)C
COc1ccc(cc1)C1C(C#N)C(=N)N(c2sc3CCCCc3c2C#N)C2=C1C(=O)CC(C)(C)C2 |c:29|
Cc1ccccc1N(CC(=O)NN=Cc1ccc(F)cc1)C(=O)c1ccccc1
Cc1ccsc1C=NNC(=O)CSCc1ccc(C)cc1 |w:7.8|
COc1cc(cc(OC)c1OC)C1C(C#N)C(=N)N(c2sc3CCCCc3c2C#N)C2=C1C(=O)CC(C)(C)C2 |c:33|
Clc1ccc2c(c1)[nH]c(=S)n(Cc1cccnc1)c2=O
[H]C12CCC([H])(C=C(C1)N(CCc1c[nH]c3ccccc13)C(=O)c1ccc(Cl)cc1)N2C |c:6|
COc1ccc(cc1OC)C(N(C(=O)Cc1c[nH]c2ccccc12)c1ccc(NC(C)=O)cc1)C(=O)NC1CCCCC1
Brc1cc(C=NNC(=O)c2cc3ccccc3o2)ccc1OCC(=O)Nc1ccccc1 |w:5.5|
Cc1cc(C=C2SC(Nc3ccccc3)=NC2=O)c(C)n1-c1ccc(cc1)S(N)(=O)=O |w:4.3,c:15|
Oc1ccc(Oc2ccc3c(cc(nc3n2)C(F)(F)F)C(F)(F)F)cc1
COc1ccc(\C=C\C(=O)NC(=S)NCCc2ccc(OC)c(OC)c2)cc1
Cc1cccc(NC(=S)NC(=O)CCc2ccccc2)c1
CCN1CCN(CC1)c1ccc(c(Sc2nc3ccccc3[nH]2)c1)[N+]([O-])=O
Clc1ccc(SCC(=O)Nc2ccc(cc2)-c2nc3ccccc3[nH]2)cc1
Cc1cc(\C=C2\C(=O)NN(C2=O)c2ccccc2)c(C)n1-c1ccc(O)cc1
COc1cccc(c1)C(=O)Nc1ccc2C(=O)c3ccccc3C(=O)c2c1
Cc1cc(N2CCN(CC2)c2ccc([N+]([O-])=O)c3cccnc23)c2ccccc2n1
COc1ccc(cc1CSc1ccccn1)C1Nc2ccccc2C(=O)N1c1ccc(F)cc1
COc1ccc2[nH]c3c([nH]c(=O)n(N=C[C@@H]4C(C)CC(C)=CC4C)c3=O)c2c1 |w:13.12,c:20|
CN(C)C(CNC(=S)Nc1cccc(C)c1)c1cccnc1
CN(C)C(CNC(=S)Nc1ccccc1C)c1cccnc1
Cc1ccc(cc1)C1(O)CN(C2=[N+]1CCS2)c1ccccc1C |c:12|
CN(C)C(CNC(=S)Nc1ccccc1)c1cccnc1
Cc1ccccc1N1CC(O)(c2ccccc2)[N+]2=C1SCC2 |c:19|
Cc1ccc(cc1)C1(O)CN(C2=[N+]1CCS2)c1ccccc1 |c:12|
CN(C)C(CNC(=S)Nc1cccc(C)c1C)c1cccnc1
COc1cc(Br)cc(\C=[NH+]\NC(=O)Cc2ccc(cc2[N+]([O-])=O)C(F)(F)F)c1[O-]
Clc1ccc2c(ccnc2c1)N=NCc1ccccc1Br |w:11.12|
Cc1ccc2nc(SC(C(=O)Nc3ccc(F)cc3)c3ccccc3)[nH]c2c1
Cc1cc(Cl)ccc1OCC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1
COc1ccc(NS(=O)(=O)c2ccc(O)c(NC(=O)c3cc4c(C)nn(-c5ccc(F)cc5)c4s3)c2)cc1
[H]C12CCC([H])(C3CN(CCc4ccccc4)CC13)C2OC(=O)c1ccccc1
CCOC(=O)C1(CC2CCCCO2)CCN(Cc2ccc(OC)cc2F)CC1
COc1ccc(cc1)-n1cc(CNCc2cccnc2)c(n1)-c1cccc(F)c1
CCOC(=O)C1(CCCc2ccccc2)CCN(Cc2cnn(C)c2)CC1
Cc1ccc(C)c(c1)-n1cc(CNCCc2cnccn2)c(n1)-c1ccccc1
CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2cnc(C)s2)CC1
CCOC(=O)C1(CCOC)CCN(Cc2ccccc2-c2ccco2)CC1
COc1ccc2OCC(CN3CCC(CO)(CCc4ccccc4)CC3)=Cc2c1 |c:27|
CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2cccn2-c2cccnc2)CC1
CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc(C)s2)CC1
CC(NCc1cn(nc1-c1ccc(F)cc1)-c1ccc(C)cc1)c1cnn(C)c1C
OCC1(CCc2ccccc2)CCN(Cc2cccn2-c2cccnc2)CC1
CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc3OCCOc3c2)CC1
CCN(CC)c1ccc(CNc2nc3ccccc3n2CCN2CCCCC2)cc1
CCOC(=O)C1(CC2CCCCO2)CCN(Cc2cc(F)ccc2-n2cccn2)CC1
CN1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)-c2cccc(c2)[N+]([O-])=O)cc1
CN1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)-c2ccc(Br)cc2)cc1
Cc1ccccc1OCC(O)Cn1c2ccccc2n(Cc2ccccc2)c1=N
COc1ccc(cc1F)-c1nn(cc1CNCc1cccnc1)-c1ccccc1C
CCn1cc(CNCc2cn(nc2-c2ccc(OC)c(F)c2)-c2ccccc2C)cn1
COCC1CCN(Cc2cn(nc2-c2cc(C)sc2C)-c2ccccc2F)CC1
CC(Cn1cncn1)NCc1cn(nc1-c1ccccc1)-c1cc(C)ccc1C
OCC1(CCc2ccccc2)CCN(Cc2ccccc2Cl)CC1
CCOC(=O)C1(CC2CCCCO2)CCN(Cc2c(C)cc(C)cc2-n2cccn2)CC1
OCC1(CC2CCCCO2)CCN(Cc2ccccc2-c2ccco2)CC1
Cc1ccc(C)c(c1)-n1cc(CNCCCn2cccn2)c(n1)-c1ccccc1
CCOC(=O)C1(CC2CCCCO2)CCN(Cc2nc(oc2C)-c2cccs2)CC1
CSCCCNC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1
COc1cccc(CC2(CO)CCCN(Cc3ccccc3-c3ccco3)C2)c1
CCOC(=O)C1(CCc2ccccc2)CCN(Cc2ccco2)CC1
CC(=O)Nc1ccc(CN2CCCC(C2)C(=O)c2cccc(c2)C(F)(F)F)cc1
CCOC(=O)C1(CC2CC2)CCN(Cc2cnc(nc2)-c2ccccc2C)CC1
CCOC(=O)C1(Cc2ccccc2)CCN(Cc2cccn2-c2nccs2)CC1
CCOC(=O)C1(Cc2ccccc2)CCN(Cc2cccn2-c2cccnc2)CC1
OCC1(CCc2ccccc2)CCN(Cc2cc(F)ccc2-n2cccn2)CC1
COC(=O)CCCNC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1
CC(NCc1cn(nc1-c1ccc(F)cc1)-c1ccc(C)cc1)c1cnn(C)c1
[H]C12CCC([H])(C=C(C1)N(CCc1ccccc1)C(=O)c1cc(C)cc(C)c1)N2C |c:6|
CC(=O)CSc1ccc(cn1)-c1nc2cc(C)c(C)cc2[nH]1
[H]C12CCC([H])(C=C(C1)N(CCc1ccccc1)C(=O)c1ccc(Cl)cc1)N2C |c:6|
CC1CN(C)C(C)c2c1oc1ccc(N)cc21
CN1C(CC(=O)Nc2ccc(Br)cc2)c2ccccc2CC1(C)C
CCCc1nn(C)c2nc(=O)n(C)c(=O)c2n1
COc1ccc(cc1)-n1c2CC(C)(C)CC(=O)c2cc(C(=O)NNc2ccccc2C)c1=O
CN(C)C(CNC(=S)Nc1cccc(Cl)c1)c1cccnc1
CN(C)C(CNC(=S)Nc1ccccc1Cl)c1cccnc1
CCc1cccc(C)c1NC(=S)NCC(N(C)C)c1cccnc1
Cc1ccccc1CN1C(=O)C(=NNC(=S)Nc2ccccc2F)c2ccccc12 |w:12.13|
COc1ccccc1N1CCN(CC1)C(C(C)NC(=O)c1ccco1)c1cccs1
Clc1ccc(CCNC(=O)C2CCC(CNc3[nH]c(=S)nc4ccccc34)CC2)cc1 |(-3.6,-3.41,;-2.27,-2.63,;-2.27,-1.09,;-.94,-.32,;.39,-1.09,;1.72,-.32,;1.72,1.22,;.38,1.99,;.38,3.53,;1.71,4.3,;-.96,4.3,;-2.29,3.53,;-3.62,4.29,;-3.63,5.84,;-4.96,6.6,;-6.29,5.83,;-6.28,4.29,;-4.93,3.51,;-4.93,1.95,;-3.59,1.19,;-6.27,1.18,;-7.61,1.94,;-8.95,1.18,;-10.29,1.95,;-10.28,3.49,;-8.96,4.26,;-7.62,3.5,;-2.3,6.61,;-.96,5.84,;.4,-2.62,;-.93,-3.4,)|
CCC(C(=O)NCCC[C@H]1CN2[C@@H](Cc3ccc(O)cc3)CN=C2N1CCc1ccc(C)cc1)c1ccccc1 |c:23|
Cc1ccc(CCN2[C@@H](CCCNC(=O)C3CCC3)CN3[C@@H](Cc4ccc(O)cc4)CN=C23)cc1 |t:33|
OC(CNCCC(c1ccccc1)c1ccccc1)COc1ccccc1
COc1ccc(cc1)C(CNC(=O)\C=C\c1c(Cl)nc2ccccn12)N(C)C
CN(C)C(CNC(=S)Nc1cc(C)ccc1C)c1ccccc1
COc1ccc(cc1)C(CNC(=O)c1cncc(Br)c1)N(C)C
CN(C)C(CNC(=O)Cc1ccc(cc1)[N+]([O-])=O)c1ccccc1
CCn1c2ccccc2n(CC(=O)Nc2ccc(SC(F)F)cc2)c1=[NH2+]
CN(C)C(CNC(=S)Nc1cccc(Cl)c1)c1ccccc1
COc1ccc(cc1)C(CNC(=O)c1ccc(cc1)S(=O)(=O)N(C)C)N(C)C
CN(C)C(CNC(=O)c1ccc2ccccc2c1)c1ccco1
CN(C)C(CNC(C(=O)Nc1ccc(cc1Br)[N+]([O-])=O)c1ccccc1)c1ccccc1
CN(C)C(CNC(=O)Cc1ccc(C)c(C)c1)c1ccco1
CCC1(C)CC(CCNCc2ccc(cc2)N(C)C)(CCO1)c1ccc(F)cc1
CN(C)S(=O)(=O)c1ccc(cc1)-c1csc(N=NCc2ccc(O)cc2)n1 |w:16.16|
CN1C(=S)S\C(=C/c2cc(C)n(c2C)-c2ccc(O)cc2)C1=O
CCOc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
COc1ccc(cc1)-c1csc(n1)N(CCCN(C)C)C(=O)c1cccs1
COc1ccccc1CN1CCN(CC1)C(CC(C)C)c1nnnn1Cc1cccs1
COc1ccc(cc1COc1ccc(NC(C)=O)cc1)C1Nc2ccccc2C(=O)N1Cc1ccco1
[H][C@]12CN(Cc3cccnc3)[C@H](c3ccccc3)C11CC(C1)(C2c1ccccc1)c1cccnc1 |wU:1.0,11.12,(8.28,.97,;9.34,.2,;8.11,-.7,;8.58,-2.16,;7.67,-3.4,;6.14,-3.24,;5.24,-4.49,;3.71,-4.33,;3.08,-2.92,;3.99,-1.67,;5.52,-1.84,;10.11,-2.16,;11.01,-3.41,;10.39,-4.81,;11.29,-6.06,;12.82,-5.9,;13.45,-4.5,;12.55,-3.25,;10.59,-.7,;10.54,.62,;11.36,1.67,;11.83,.2,;9.82,1.67,;8.91,2.91,;9.54,4.32,;8.63,5.56,;7.1,5.4,;6.48,4,;7.38,2.75,;11.83,3.13,;13.34,3.45,;13.82,4.92,;12.79,6.06,;11.28,5.74,;10.8,4.27,)|
CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cnc5cc(ccc5c4O)C(F)(F)F)c3)cc2C(F)(F)F)CC1
CCN(C(C)C)c1nc(N)c(nc1Cl)C(=O)NC(N)=N
COC(=O)C1=C(C)N(CCCC(O)=O)C(=O)NC1c1ccccc1OS(=O)(=O)c1ccccc1[N+]([O-])=O |c:4|
COC(=O)C1=C(C)N(CCCC(O)=O)C(=O)NC1c1ccccc1OS(=O)(=O)c1ccc(cc1)[N+]([O-])=O |c:4|
COC(=O)C1=CO[C@@H](C)[C@@H]2CN(CCc3c[nH]c4ccccc34)CC[C@H]12 |t:4|
COc1ccccc1NC(=O)c1sc2nc(C)cc(C)c2c1N
CCC(=O)C(CCN1CCOCC1)(c1ccccc1)c1ccccc1
Cc1ccc2c(Cl)c(Cc3ccccc3)c(=S)[nH]c2n1
Cc1cc2[nH]c3c(c(C)nc4ccccc34)c2cc1C
CCOC(=O)C1(CCc2ccccc2)CCN(Cc2ccc(NC(C)=O)cc2)CC1
CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2C)[n+](C)c2ccccc12
COc1ccc(CN2CCc3c(C2)[nH]c2ccccc32)c(OC)c1C
COc1ccc(cc1)C(C)NCCC(c1ccc(OC(C)C)cc1)c1ccccc1OC
CN(C)C(CNC(=O)c1ccc(Br)cc1)c1ccco1
COc1ccc(CNCCc2c[nH]c3ccccc23)c(OC)c1C
COc1cc(NC(=O)c2cccc(C)c2)ccc1NC(=O)c1cc2ccccc2o1
CN(C)C1(CNC(=O)c2ccc(Br)cc2)CCCCC1
COc1ccc(cc1)C(CNc1ncnc2sc(C)c(C)c12)N(C)C
COc1ccc(cc1)C(CNC(=O)CSc1ccccc1C)N(C)C
OC(CN1CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccccc1
COc1ccc(cc1)C(CNC(=O)c1ccc2CCCc2c1)N(C)C
COC(=O)C(Cc1cccc(C)n1)(c1ccccc1)c1ccccc1
CN(C)C(CNC(=O)c1cccc(c1)C(F)(F)F)c1ccco1
CN(C)C1(CNC(=O)c2ccc(Cl)c(c2)S(N)(=O)=O)CCCCC1
CN(C)C(CNCC(=O)Nc1cc(Cl)ccc1C)c1ccccc1
COc1ccc(cc1)C(CNC(=O)CCc1ccsc1)N(C)C
CN(C)C(CNC(=O)Cc1ccc(Br)cc1)c1ccccc1
COc1ccc(cc1)C(CNC(=O)C(C)c1ccc2cc(OC)ccc2c1)N(C)C
COc1ccc(cc1)C(CNC(=O)C(Cc1ccccc1)NC(N)=O)N(C)C
COC(=O)NCC(N1CCN(CC1)c1ccccc1)c1ccc2OCOc2c1
COc1ccc(NC(=O)COc2ccccc2C(=O)NCC(N(C)C)c2ccccc2)cc1Cl
CN(C)C(CNC(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1
CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(N(C)C)c1ccccc1
CCc1ccc(Nc2n[n+](c(s2)-c2c(Cl)cccc2Cl)-c2ccccc2)cc1 |(10.62,16.06,;9.72,14.82,;10.35,13.41,;11.88,13.25,;12.5,11.84,;11.6,10.6,;12.22,9.19,;11.32,7.94,;9.78,7.94,;9.3,6.48,;10.55,5.57,;11.79,6.48,;10.55,4.03,;9.22,3.26,;7.68,3.26,;9.22,1.72,;10.55,.95,;11.88,1.72,;11.88,3.26,;13.22,4.03,;7.8,6.8,;6.77,5.66,;5.26,5.98,;4.78,7.44,;5.81,8.59,;7.32,8.27,;10.07,10.76,;9.44,12.17,)|
CN(C)C(CNC(=O)Cc1cccc2ccccc12)c1ccc(cc1)N(C)C
Cc1c(CCOC(=O)c2ccccc2)sc[n+]1CC(=O)c1ccc(Br)cc1
Cc1occc1C(=O)NN=Cc1ccc(cc1)-c1ccccc1
Cc1c(sc2nc(C)nc(N3CCN(CC3)c3ccccn3)c12)C(=O)N1CCN(CC1)c1ccc(F)cc1
Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c(C)c1
CCNS(=O)(=O)c1ccc(NC(=O)Nc2ccc3OCOc3c2)cc1
CN(C)C(CNC(=O)c1ccc(cc1)C(F)(F)F)c1ccco1
CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1nc2c(F)cc(F)cc2s1
CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N(C)C1CCCCC1)c1nc2ccc(F)cc2s1
CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N(C)Cc1ccccc1)c1nc2c(F)cccc2s1
CN(C)CCCN(C(=O)c1ccc(Br)s1)c1nc2cc3OCCOc3cc2s1
CCc1ccc2nc(sc2c1)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N(C)C1CCCCC1
CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1nc2ccc(F)cc2s1
CCN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)N(CCCN(C)C)c1nc2c(C)c(C)ccc2s1
CC(N=Nc1ccnc2cc(Cl)ccc12)c1ccc(N)cc1 |w:3.3|
CCc1ccc2nc(sc2c1)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1nc2ccc(C)cc2s1
CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCCCCC1)c1nc2c(F)cc(F)cc2s1
CCOc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(=O)NCC(N(C)C)c1ccccc1
CC(CC(=O)N(CCC1=CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)c1ccccc1 |t:8|
CN(C)C(CNC(=O)C1CN(Cc2ccccc2)C(=O)C1)c1ccccc1
CN1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)c(C)c1
[H][C@@]12Cc3ccc(Oc4c(O)c(OC)cc5CCN(C)[C@]([H])(Cc6ccc(O)c(Oc7cc1c(CCN2C)cc7OC)c6)c45)cc3
CN(C(CN1CCCC1)c1cccc(OCC(O)=O)c1)C(=O)Cc1ccc(Cl)c(Cl)c1
CCN(CC)C(=O)c1ccc(cc1)[C@@H](c2cccc(c2)OC)N3C[C@@H](N(C[C@H]3C)CC=C)C
Clc1ccc(cc1)C(c1ccc(Cl)cc1)n1cc[n+](CC(OCc2ccc(Cl)cc2Cl)c2ccc(Cl)cc2Cl)c1
CCN1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)N(CCc1ccccc1)Cc1ccccc1
CC(C)n1ncc2c(cc(nc12)C1CC1)C(=O)Nc1cccc(c1)C#N
CCOC(=O)C1(CCN(CCC(=O)Nc2ccc(F)cc2)CC1)c1ccccc1
CCOC(=O)C1(CCN(CCC(=O)Nc2cccc(Br)c2)CC1)c1ccccc1
CN1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)-c2ccccc2F)cc1
COCCN(C(=O)C1CN(Cc2ccccc2)C(=O)C1)c1nc(cs1)-c1ccc(cc1)[N+]([O-])=O
CC1(CCN(CCCc2ccccc2)C1=O)NC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1
CN(C)C(CNC(=O)c1cc2ccccc2o1)c1ccco1
OCCN(Cc1ccccc1)C(=O)C[C@H]1C\C=C/C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(=O)OC[C@@H](Cc2c[nH]c3ccccc23)NC1=O |c:17|
CN(C)C(CNC(=O)CSC(=S)N1CCCC1)c1ccccc1
Clc1cc(Br)cc(Cl)c1S(=O)(=O)N1CCN(CC1)C(=S)NC1CC1
[H][C@]12Cc3ccc(OC4OC([C@@H](O)C(O)[C@H]4O)C(O)=O)c4OC5[C@](CCN1CC1CC1)(c34)C21CCC5(OC)C(C1)C(C)(O)C(C)(C)C |TLB:40:38:23.22:33.34,THB:27:26:32:31.2.3|
CC[C@@H](C)[C@@H]1CN([C@@H](CN2CCC[C@H]2CN2[C@@H](CN=C2N)C(C)C)C(C)C)C(=N)N1CCc1ccc(Cl)c(Cl)c1 |c:19|
c1ccc(cc1)C2(CCCCC2)N3CCCCC3
CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1
COc1ccc2C[C@H]3N(C)CC[C@@]45C(Oc1c24)C(=O)CC[C@@]35O
CCC(=O)OC(Cc1ccccc1)([C@H](C)CN(C)C)c1ccccc1
[H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCc1ccccc1)C2C
COc1ccc(CN2CN=C(Nc3nc(C)cc(C)n3)N(Cc3ccc(OC)cc3)C2)cc1 |t:9|
CN(C)C(CNC(=O)CC(NC(C)=O)c1ccccc1)c1ccco1
CN1CCN(Cc2nc3ccccc3c(=O)n2Cc2nc(cs2)-c2ccc3ccccc3c2)CC1
Oc1ccc2ccccc2c1C1=CC(=O)C(=O)c2ccccc12 |t:13|
O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1-c1ccccc1C(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
COC(=O)c1cc2-c3c(c[nH]c3C(=O)C(=O)c2n1S(=O)(=O)c1ccc(C)cc1)C(=O)OCc1ccccc1
C[C@@H](NCCCn1cnc(n1)C(=O)Nc1ccc(C)c(C)c1)c1cccc2ccccc12
CCN(CC)Cc1cc(Nc2c3n(C)c4ccccc4c3nc3ccccc23)cc(CN(CC)CC)c1O
CS\C(N=C(SCc1ccccc1)N(C)C)=N/c1ccccc1
Cc1nc2nc(C)n(CCN3CCOCC3)c(=O)c2c(-c2cccc(c2)[N+]([O-])=O)c1C(=O)CCCCCCCCCCN1CCC(CC1)(c1ccccc1)c1ccccc1
[H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C)C2C
COC1C(O)C(C)OC(OC2CCC3(C=O)C(CCC4C3CCC3(C)C(CCC43O)C3=CC(=O)OC3)C2)C1O |t:33|
CC(=O)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)SC(N)=N |t:9|
[H]C1(CC2CCCC(C2)C1)N1[C@@]2([H])CCC[C@]1([H])C[C@@]([H])(C2)n1c2ccccc2nc(C(O)=O)c1=O |r,@:10,@@:1,TLB:10:1:8:4.5.6,THB:22:19:10:13.15.14|
NC(SCCCc1cnc[nH]1)=NCCc1ccc(I)cc1 |w:11.12|
S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
C(Oc1cccnc1)[C@@H]1CCN1 |r|
Cc1nc2C(O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F
CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1 |c:8,15|
CN1CC2C(C1)c1cc(Cl)ccc1Oc1ccccc21
NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N1CCCCC1
OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13|
CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)c4c5ccc(cc5on4)F
Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
c1ccc2c(c1)c(ns2)N3CCN(CC3)CCc4cc5c(cc4Cl)NC(=O)C5
CN(C)CCOC1=Cc2ccccc2Sc3c1cc(cc3)Cl
COC(=O)\C=C\C(=O)NC1CC[C@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O)C(C)(C)S)C(N)=O |wU:7.7,11.11,1.1,67.72,15.22,26.38,58.61,wD:3.3,40.51,52.57,(12.69,6.59,;11.36,5.82,;12.13,4.49,;10.02,6.59,;8.69,5.82,;7.35,6.59,;7.35,8.13,;6.02,5.82,;5.25,4.49,;6.02,3.16,;7.56,3.16,;5.25,1.82,;6.58,1.05,;6.58,-.49,;5.25,-1.26,;7.92,-1.26,;7.15,-2.59,;7.92,-3.93,;7.15,-5.26,;7.92,-6.59,;7.15,-7.93,;7.92,-9.26,;5.61,-7.93,;9.25,-2.03,;10.58,-1.26,;10.58,.28,;11.92,-2.03,;13.25,-2.8,;13.25,-4.34,;12.01,-5.24,;12.48,-6.71,;14.02,-6.71,;15.05,-7.85,;16.56,-7.53,;17.03,-6.07,;16,-4.92,;14.5,-5.24,;12.69,-.69,;14.23,-.69,;15,-2.03,;15,.64,;15.27,2.15,;16.72,2.68,;17.9,1.68,;19.34,2.2,;19.62,3.72,;21.07,4.24,;18.44,4.71,;16.99,4.19,;16.51,.37,;17.04,-1.08,;16.04,-2.26,;18.55,-1.36,;18.82,.16,;20.27,.68,;20.07,-1.63,;21.4,-.86,;21.4,.68,;22.73,-1.63,;23.5,-.29,;24.07,-2.4,;25.4,-1.63,;25.4,-.09,;26.73,.68,;28.07,-.09,;28.07,-1.63,;26.73,-2.4,;4.26,.64,;5.44,-.35,;3.08,1.63,;4.68,6.59,;3.35,5.82,;5.45,7.93,;3.91,7.93,;10.79,7.93,;12.33,7.93,;10.02,9.26,)|
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3|
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](-[#8])=O
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)[N+]([O-])=O)cc1
Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(=C)CCC35O |TLB:22:23:5.4.18:13.12.7,24:23:5.4.18:13.12.7|
[H]C12Cc3ccc(O)c4OC5C(O)C=CC1C5(CCN2)c34 |c:13,TLB:8:20:15:19.17.18|
[#6]-[#6@H]1-[#6@H]-2-[#6]-c3ccc(-[#8])cc3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |r,TLB:16:15:1:3.4.10|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
CN1CCC2(C)c3cc(O)ccc3CC1C2(C)CCC(=O)CCC1CCCC1 |TLB:16:15:3.2.1:13.12.6,THB:7:6:3.2.1:15,17:15:3.2.1:13.12.6,0:1:15:13.12.6|
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
COC12C=C[C@]3(C4[C@@H](O)CCC14)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |c:3,THB:6:5:30.13.14:23.25.24|
COC12C=C[C@]3(C4C1CC[C@]4(C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |c:3,THB:6:5:31.14.15:24.26.25|
COC12C=C[C@]3(C4[C@@H](O)C(C)(C)CC14)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |c:3,THB:6:5:32.15.16:25.27.26|
COC12C=C[C@]3(C4[C@H](O)C(C)(C)CC14)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |c:3,THB:6:5:32.15.16:25.27.26|
Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1
[#6]-c1cc(-[#8])cc(-[#6])c1-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#7])-[#6](-[#7])=O
[#6]-c1cc(-[#8])cc(-[#6])c1-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
[#6]-c1cc(-[#8])ccc1-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
[#6]-[#7]-[#6@@H](-[#6]-c1c(-[#6])cc(-[#8])cc1-[#6])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
[#6]-c1cc(-[#8])cc(-[#6])c1-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6]-[#6@@H]-2-[#16]-[#6]-[#6@H](-[#7]-2-[#6]-1=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
CCn1c2ccccc2n([C@@H]2CCN(CC3CCCCCCC3)C[C@H]2CO)c1=O
[#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
O=C1NCN(c2ccccc2)C11CCN(CC1)C1Cc2cccc3cccc1c23
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)[C@@]1([#6]-[#6]-c2ccccc2-[#6]1)[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O
COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
CC(CF)NCC(O)COc1cccc2[nH]c3ccccc3c12
CNCC[C@@H](c1cccs1)Oc2cccc3c2cccc3
COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)C(C)(C)NC(=O)C(Cc1ccc(O)cc1)N(CC=C)CC=C)C(O)=O
Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)|
[#6]-[#6](-[#6])-[#6](=O)[C@]12[#6](=O)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6])-[#6](=O)[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]-[#6@H](-[#6]\[#6]=[#6](/[#6])-[#6])[C@@]1([#6])[#6]-[#6]\[#6]=[#6](/[#6])-[#6])[#6]2=O |r,THB:38:37:6.8.14:22.23.29|
Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c1c1c5c(c(O)cc(O)c5c4=O)c4c(O)cc(O)c(c4c31)c2=O
OCC1OC(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C(O)C1O
OCC1OC(O)C(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C1O
c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O)O)O)O)O
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
CNCCC(Oc1ccccc1C)c1ccccc1
COc1ccc2ccccc2c1CCCCN1CCN(C[C@@H](N2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1
N[C@@H]1CCSC1=O |r|
C(CS(=O)(=O)O)[C@@H](C(=O)O)N
N[C@H]1CCSC1=O |r|
c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4
CCC12CCN(CC3CC3)C(C1C)C(=O)c1ccc(O)cc21 |TLB:6:5:11:15.21.13,14:13:11:5.4.3,THB:20:21:11:5.4.3|
[#6]-[#16]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O
CSCC[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CO)C(=O)N[C@H](CO)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](C(C)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)NCC(=O)N[C@H](CC(N)=O)C(=O)N[C@H](C(C)C)C(N)=O
CCO[C@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c5c(CC1N(CC1CC1)CC[C@@]235)ccc4O |THB:30:19:3:28.27.22|
C[N@]1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@H]1C5)O)O
COC12CC[C@@H](N[C@H](Cc3ccccc3)C(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:30:22:2:25.28.27,20:21:2:25.28.27|
COC12CC[C@H](N[C@H](C)C(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:24:16:2:19.22.21,14:15:2:19.22.21|
COC12CC[C@@H](N[C@H](C)C(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:24:16:2:19.22.21,14:15:2:19.22.21|
COC12CCC(=O)C3(C)Oc4c5c(CC1N(C)CCC235)ccc4O |TLB:1:2:18.17.15:13.12.11,THB:3:2:18.17.15:13.12.11|
CCOC12CCC(=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:20:12:3:15.18.17,10:11:3:15.18.17|
COC12CC[C@H](NCC(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:23:15:2:18.21.20,13:14:2:18.21.20|
COC12CC[C@@H](NCC(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:23:15:2:18.21.20,13:14:2:18.21.20|
Oc1ccc2CC3N(CC=C)CCC45C(Oc1c24)C(=O)CCC35O |TLB:21:22:7.11.12:5.4.17,THB:23:22:7.11.12:5.4.17|
CSCCC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(N)Cc1ccc(O)cc1)C(O)=O
CCN(CC)C(=O)c1ccc(cc1)C(N1CC(C)N(CC=C)CC1C)c1cccc(OC)c1
CC1(C)SSC(C)(C)C(NC(=O)C(N)Cc2ccc(O)cc2)C(=O)NCC(=O)NC(Cc2ccccc2)C(=O)NC1C(O)=O
CN(C1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45)C(=O)C=Cc1ccoc1 |w:28.33,TLB:4:5:8.9.25:18.19.20,6:5:8.9.25:18.19.20|
[#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(F)cc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r|
CCO[C@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c5c(CC1N(CC1CC1)CCC235)ccc4O |r,TLB:23:22:19.20.18:3,17:18:3:22.27.28,THB:2:3:19.20.18:22.27.28|
CCO[C@]12Cc3c([nH]c4ccccc34)C3Oc4c5c(CC1N(CC=C)CCC235)ccc4O |r,TLB:22:21:18.19.17:3,16:17:3:21.25.26,THB:2:3:18.19.17:21.25.26|
CCO[C@]12Cc3c([nH]c4ccccc34)C3Oc4c5c(CC1N(CC1CC1)CCC235)ccc4O |r,TLB:22:21:18.19.17:3,16:17:3:21.26.27,THB:2:3:18.19.17:21.26.27|
CCO[C@]12Cc3c(oc4ccccc34)C3Oc4c5c(CC1N(CC1CC1)CCC235)ccc4O |r,TLB:22:21:18.19.17:3,16:17:3:21.26.27,THB:2:3:18.19.17:21.26.27|
CO[C@]12Cc3c(C4Oc5c6c(CC1N(CC=C)CCC246)ccc5O)n(C)c1ccccc31 |r,TLB:14:13:10.11.9:2,8:9:2:13.17.18,THB:1:2:10.11.9:13.17.18|
COc1c2O[C@@]3(C)c4oc5ccccc5c4C[C@@]4(O)C5Cc(cc1O)c2C34CCN5CC1CC1 |r,TLB:30:29:21.20.25:17,3:25:17:29.28.27,THB:18:17:21.20.25:29.28.27|
CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r|
Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2ccccc2c1CC35O |TLB:28:29:7.12.13:5.4.18,THB:30:29:7.12.13:5.4.18|
NC(Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2CC1CNC(Cc1ccccc1)C(=O)NC(CC1CCCCC1)C(O)=O
NC(Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2CC1C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(O)=O
O=C(Oc1ccc2C[C@H]3C4CCCC[C@@]4(CCN3CC3CCC3)c2c1)\C=C\C(=O)Oc1ccc2C[C@H]3C4CCCC[C@@]4(CCN3CC3CCC3)c2c1 |THB:45:44:36:50.34.33,18:17:9:23.7.6|
COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(CCC35O)NC(=O)CC1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1 |TLB:21:22:7.12.13:5.4.18,THB:23:22:7.12.13:5.4.18|
COc1cc(OC)cc(c1)C(=O)NC1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45 |TLB:17:16:19.20.36:29.30.31,15:16:19.20.36:29.30.31|
COc1cccc(c1)C(=O)NC1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45 |TLB:15:14:17.18.34:27.28.29,13:14:17.18.34:27.28.29|
OCC1OC(CC(=O)NC2CCC3(O)C4Cc5ccc(O)c6OC2C3(CCN4CC2CC2)c56)C(O)C(O)C1O |TLB:11:12:27.26.25:15.16.32,THB:13:12:27.26.25:15.16.32|
Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(CCC35O)NC(=O)Cc1cccs1 |TLB:21:22:7.12.13:5.4.18,THB:23:22:7.12.13:5.4.18|
Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(CCC35O)NC(=O)c1ccccc1 |TLB:21:22:7.12.13:5.4.18,THB:23:22:7.12.13:5.4.18|
Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(CCC35O)NC(=O)Cc1ccccc1 |TLB:21:22:7.12.13:5.4.18,THB:23:22:7.12.13:5.4.18|
Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(CCC35O)NC(=O)C=CCc1ccccc1 |w:27.32,TLB:21:22:7.12.13:5.4.18,THB:23:22:7.12.13:5.4.18|
Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(CCC35O)NC(=O)CCc1ccccc1 |TLB:21:22:7.12.13:5.4.18,THB:23:22:7.12.13:5.4.18|
Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(CCC35O)NC(=O)c1ccccn1 |TLB:21:22:7.12.13:5.4.18,THB:23:22:7.12.13:5.4.18|
Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(CCC35O)NC(=O)c1ccc(Cl)c(Cl)c1 |TLB:21:22:7.12.13:5.4.18,THB:23:22:7.12.13:5.4.18|
Oc1cccc(c1)C(=O)NC1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45 |TLB:12:13:28.27.26:16.17.33,THB:14:13:28.27.26:16.17.33|
COc1cccc(CC(=O)NC2CCC3(O)C4Cc5ccc(O)c6OC2C3(CCN4CC2CC2)c56)c1 |TLB:15:14:17.18.34:27.28.29,13:14:17.18.34:27.28.29|
Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(CCC35O)NC(=O)c1cccc(c1)[N+]([O-])=O |TLB:21:22:7.12.13:5.4.18,THB:23:22:7.12.13:5.4.18|
Nc1ccc(cc1)C(=O)NC1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45 |TLB:12:13:28.27.26:16.17.33,THB:14:13:28.27.26:16.17.33|
COC(=O)c1ccc(cc1)C(=O)NC1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45 |TLB:17:16:19.20.36:29.30.31,15:16:19.20.36:29.30.31|
OC(=O)c1ccc(cc1)C(=O)NC1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45 |TLB:14:15:30.29.28:18.19.35,THB:16:15:30.29.28:18.19.35|
Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(CCC35O)NC(=O)c1ccc(Cl)cc1 |TLB:21:22:7.12.13:5.4.18,THB:23:22:7.12.13:5.4.18|
COc1ccc(CC(=O)NC2CCC3(O)C4Cc5ccc(O)c6OC2C3(CCN4CC2CC2)c56)cc1 |TLB:14:13:16.17.33:26.27.28,12:13:16.17.33:26.27.28|
CC(C)(C)OC(=O)Nc1ccc(cc1)C(=O)NC1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45 |TLB:19:20:23.24.40:33.34.35,21:20:23.24.40:33.34.35|
CN(C)c1cccc(c1)C(=O)NC1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45 |TLB:16:15:18.19.35:28.29.30,14:15:18.19.35:28.29.30|
Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(=O)CCC35O |TLB:22:23:7.12.13:5.4.18,THB:24:23:7.12.13:5.4.18|
CN1CCC23C4CC=CC2C1Cc1ccc(O)c(O4)c31 |c:7,TLB:8:9:1.2.3:11.12.19|
CN1CCC23C4CCCC2C1Cc1cccc(O4)c31 |TLB:8:9:1.2.3:11.12.18|
COC1CCC2C3Cc4cccc5OC1C2(CCN3C)c45 |TLB:4:5:18.17.16:7.8.20|
CN1CCC23C4Oc5cccc(CC1C2CCC4O)c35 |TLB:15:14:1.2.3:12.11.19|
COC1C=CC2C3Cc4ccc(OC)c5OC1C2(CCN3C)c45 |c:3,TLB:4:5:20.19.18:7.8.22|
COC1C=CC2C3Cc4ccc(O)c5OC1C2(CCN3C)c45 |c:3,TLB:4:5:19.18.17:7.8.21|
CC1CN(CC(Cc2ccccc2)C(=O)NC(Cc2cccc3ccccc23)C(O)=O)CCC1(C)c1cccc(O)c1
CC1CN(CC(Cc2ccccc2)C(=O)NC(Cc2ccc3ccccc3c2)C(O)=O)CCC1(C)c1cccc(O)c1
CC1CN(CC(Cc2ccccc2)C(=O)NC(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
CC1CN(CC(Cc2ccccc2)C(=O)NC(CCc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
CC1CN(CC(Cc2ccccc2)C(=O)NC(CCC(O)=O)C(O)=O)CCC1(C)c1cccc(O)c1
CC(NC(=O)C(CN1CCC(C)(C(C)C1)c1cccc(O)c1)Cc1ccccc1)C(O)=O
CC1CN(CC(Cc2ccccc2)C(=O)NC(CC(O)=O)C(O)=O)CCC1(C)c1cccc(O)c1
CC(C)CN(C(Cc1ccccc1)C(O)=O)C(=O)CCN1CCC(C)(C(C)C1)c1cccc(O)c1
CC1CN(CCC(=O)N(C)C(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
CC1CN(CCC(=O)N(CCc2ccccc2)C(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
CC1CN(CCC(=O)N(C(Cc2ccccc2)C(O)=O)c2ccccc2)CCC1(C)c1cccc(O)c1
CC1CN(CCC(=O)NC(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
CC1CN(CCC(=O)NC(CCc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
CC1CN(CCC(=O)N(Cc2ccc(cc2)-c2ccccc2)C(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
CC1CN(CCC(=O)N(Cc2cccc(Cl)c2)C(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
CC1CN(CCC(=O)N(CC2CC2)C(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
CC1CN(CCC(=O)N(Cc2ccccc2)C(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
CCN(C(Cc1ccccc1)C(O)=O)C(=O)CCN1CCC(C)(C(C)C1)c1cccc(O)c1
CC1CN(CC(Cc2ccccc2)C(=O)NC(Cc2ccc(cc2)-c2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
CC1CN(CCC(=O)NC(Cc2ccc(cc2)-c2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
CC1CN(CC(Cc2ccccc2)C(=O)NC(CC2CCCCC2)C(O)=O)CCC1(C)c1cccc(O)c1
CC1CN(CCC(=O)NC(CC2CCCCC2)C(O)=O)CCC1(C)c1cccc(O)c1
CC1CN(CC(Cc2ccccc2)C(=O)NC(CCCN)C(O)=O)CCC1(C)c1cccc(O)c1
CC1CN(CC(Cc2ccccc2)C(=O)NC(CCCCN)C(O)=O)CCC1(C)c1cccc(O)c1
CC1CN(CC(Cc2ccccc2)C(=O)NCC(O)=O)CCC1(C)c1cccc(O)c1
CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
COc1ccc2nc(NC(=O)CSc3nc4cccnc4n3C)sc2c1
Cc1cc(N2CCN(CC2)C(=O)c2ccco2)n2nc(cc2n1)-c1cccc(Cl)c1
CCC(C)NC(=O)c1c(N)n(\N=C\c2cccnc2)c2nc3ccccc3nc12
O=C(COc1ccc2OCOc2c1)Nc1ccc2c(c1)oc1ccccc21
CCSc1nnc(NC(=O)c2csc3CCCCc23)s1
Cc1cc(C)n(n1)-c1nc2cc(C)ccc2nc1Nc1ccc2[nH]c(=O)[nH]c2c1
COc1cc(cc(OC)c1OC)C(=O)Nc1nnc(s1)-c1sccc1C
CCc1ccc(cc1)C1CC(Nc2nc(N)nn12)c1ccc(F)cc1
CCn1cc(\C=C2\CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2=O)c(C)n1 |t:11|
CCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=O)c1ccco1
Cc1ccc(cc1)C(=O)c1coc-2c1C(=O)C(=O)c1ccccc-21
CCOCCCN(Cc1ccco1)C(=O)c1cc2c(s1)c1cc(C)ccc1[nH]c2=O
Cc1ccccc1-c1nc(no1)-c1ccc(NC(=O)c2ccc(Br)o2)cc1
Cc1ccccc1-c1nc(no1)-c1ccc(NC(=O)c2ccc3OCOc3c2)cc1
CC(C)OCCCN(Cc1ccco1)C(=O)c1cc2c(s1)c1cc(C)ccc1[nH]c2=O
O=C(N\N=C\c1ccc(OCc2ccccc2)cc1)c1cccs1
COc1ccc(NC(=O)Nc2nnc(s2)-c2ccccc2SCc2ccccc2)cc1
COc1ccc(cc1OC)-c1csc(n1)-c1c(O)cn(Cc2ccc(Cl)cc2)c1N
Cc1ccc(cc1)C(=O)Cn1c(nc2ccccc12)C(=O)C=Cc1ccccc1 |w:21.23|
Clc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1cc([nH]n1)-c1ccccc1 |t:8|
C\C(=C/c1ccco1)C1C(C#N)C(=N)Oc2[nH]nc(c12)-c1ccc(C)cc1
COc1ccc(cc1Cl)-n1nc(C(=O)NCC(=O)Nc2ccccn2)c2ccccc2c1=O
O=C(NCc1ccco1)C(=C\c1cn(CCOc2ccccc2)c2ccccc12)\C#N
CN(C)CCCNC(=O)c1ccc(cc1)-c1nc(cs1)-c1ccc(Cl)cc1
COc1ccc(COc2ccsc2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1
Nc1c(cnn1-c1nc(cs1)-c1ccc(Cl)cc1Cl)-c1cccs1
Cc1cccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)n1
CCOc1ccc(NC(=S)NC(=O)C=Cc2ccc(C)cc2)c(c1)[N+]([O-])=O |w:14.14|
Cc1ccc(cc1)-c1nnc(o1)-c1ccc(NC(=O)Cc2cccs2)cc1
Clc1ccc(cc1NC(=O)c1ccc2OCOc2c1)-c1nc2ccccc2s1
Clc1ccc(cc1)-c1nn(cc1C=c1c(=C)[nH][nH]c1=O)-c1ccccc1 |w:12.13|
Cc1cc(C)cc(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(C3=O)c45)CC2)c1
OC(COc1ccc2ccccc2c1)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1
CCOC(=O)c1ccc(cc1)-c1ccc(\C=C(/C#N)C(=O)NCc2cccs2)o1
Cc1ccc(NC(=S)NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)c(O)c1
CC(C=CC=Cc1ccccc1)=NNC(=O)CNc1ccccc1C |w:12.13,5.5,2.1|
CCc1ccc(CCC(=O)Nc2ncc(Cc3ccccc3Cl)s2)o1
O=C(NN=Cc1c[nH]c2ccccc12)C1CC1(c1ccccc1)c1ccccc1 |w:3.2|
Cc1nc(NC(=O)c2cccc(c2)-c2cc3ccccc3oc2=O)ccc1Br
O=C(NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1)c1cccs1
CCC(C)c1ccc(NC(=S)NC2CCN(Cc3ccccc3)CC2)cc1
O=C(CSc1ccccc1)Nc1nnc(\C=C\c2ccccc2)s1
Cc1ccc(OCC(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)cc1
Oc1cc2ccccc2cc1C(=O)N\N=C1/C(=O)N(Cc2ccccc2)c2ccccc12
COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3sc4ccccc4c3Cl)cc2)ncn1
COc1ccc2oc(=O)c(cc2c1)-c1csc(Nc2cccc(O)c2)n1
CCOc1ccc(Cn2c3ccc(OC)cc3c3nc4ccccc4nc23)cc1
Cc1cccc(OCCn2cccc2CN=Nc2nc3ccccc3s2)c1 |w:15.15|
Fc1ccccc1OCCn1cc(\C=C(/C#N)C(=O)NCc2cccs2)c2ccccc12
CCOC(=O)Cc1csc(NC(=O)c2sc3nc4cc(C)ccc4cc3c2N)n1
CCOc1ccc(NC(=O)CSc2nc(cc(n2)C(F)(F)F)-c2cccs2)c(c1)[N+]([O-])=O
CC(C)c1ccc(NC(=O)CSc2ncccc2C(=O)Oc2cccc(c2)[N+]([O-])=O)cc1
Nc1ccc(cc1)C1(c2ccccc2-c2ccccc12)c1ccc(N)cc1
CCCOC(=O)c1cccc(Nc2nc(nc3ccccc23)-c2cccnc2)c1
[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]=[#6]\[#6](=[#6]\[#7+]=O)-[#6]=[#6]-1 |c:17,23|
CCCOc1ccc(cc1)C(=O)C(CCC(CNCC)C(=O)c1ccc(OCCC)cc1)CNCC
CCOc1ccc(Cn2c3ccc(OC)cc3c3nc4ccccc4nc23)cc1OC
Nc1c(sc2nc(cc(-c3ccc(F)cc3)c12)-c1cccs1)C#N
Cc1ccc(O)c(c1)C(=O)\C=C\c1ccc2OCCCOc2c1
CC12CCC3C(CC=C4CC(O)CCC34C)C1C\C(=C/c1ccccc1F)C2=O |t:7|
CN(C)CCCN(C(=O)CCc1ccccc1)c1nc2ccc(Cl)cc2s1
Fc1ccc(cc1)-c1ccc(\C=C(/C#N)C(=O)Nc2nc(cs2)-c2cccs2)o1
OC(CNCCc1ccc(cc1)C(F)(F)F)COc1cccc2ccccc12
Cc1ccccc1NC(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1
COC(=O)c1c(NC(=O)Cc2sc(N)nc2O)sc2CC(CCc12)C(C)(C)C
Clc1ccc(C=NNC2=Nc3cccc4cccc2c34)cc1 |w:6.6,t:8|
Cc1ccc(Sc2ccc(NC(=O)CCl)cc2)cc1C
Clc1ccccc1C=NNC1=Nc2cccc3cccc1c23 |w:8.9,t:11|
FC(F)Sc1ccc2nc(NC(=O)c3ccc(NS(=O)(=O)c4ccc(F)c(F)c4)cc3)sc2c1
[#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]\[#7]-c1ccc2n(nnc2c1)-c1ccc(Cl)cc1)\[#6](=O)-[#8]-[#6]-[#6]
OC1(CC(=NN1C(=O)c1ccc(COc2ccc(Br)cc2)o1)C(F)F)C(F)F |c:3|
COc1ccc(\C=N\NC(=O)c2ccc(COc3ccccc3Cl)o2)c(OC)c1C
CCOc1cc(CNCCc2c[nH]c3ccccc23)cc(Cl)c1OCC
Cc1ccc(NC(=O)c2ccccc2OCC(=O)c2ccc(F)cc2)cc1
O=C(CCN1C(=S)S\C(=C/C=C/c2ccccc2)C1=O)Nc1cccnc1
COc1cc(NC(=O)COc2ccccc2[N+]([O-])=O)ccc1NC(=O)c1cccs1
COc1cccc(CC2(CO)CCCN(Cc3[nH]c4ccc(C)cc4c3C)C2)c1
CC1(C)Oc2ccc3ccc(=O)oc3c2C(=CNc2ccc(O)cc2)C1=O |w:16.18|
Cc1c(CN2CCC(CO)(CCOc3ccccc3)CC2)[nH]c2c(Cl)cccc12
Cc1ccc(cc1)C1=NN(C(C1)c1ccccc1O)C(=O)c1cccs1 |t:8|
CCCCCCCCCCCCOCn1c[n+](C)c2ccccc12
O=C(CCN1C(=S)S\C(=C/C=C/c2ccccc2)C1=O)Nc1ccccn1
[H]C12CC3([H])CC(C)(C1)CC(CC(=O)OCCc1sc[n+](CC(=O)c4ccccc4)c1C)(C2)C3 |TLB:5:3:32:6.9.8,THB:7:6:32:3.33.2,5:6:32:3.33.2,2:3:9:1.32.8|
CCN1\C(Sc2cc(C)c(C)cc12)=C\c1ccc2cc(C)ccc2[n+]1CC
COc1ccc(CNCCc2ccc(Cl)cc2)cc1OCc1ccccc1
Cc1ccc(cc1)C(=O)NCCNc1nc2cc(C)c(C)cc2cc1C
Cc1cccc(C)c1-n1cccc1\C=C1/SC(=S)N(C1=O)c1cccc(c1)C(O)=O |(3.08,-1.79,;4.41,-2.56,;4.41,-4.1,;5.75,-4.87,;7.08,-4.1,;7.08,-2.56,;8.41,-1.79,;5.75,-1.79,;5.75,-.25,;4.5,.65,;4.98,2.12,;6.52,2.12,;6.99,.65,;8.46,.18,;9.6,1.21,;9.44,2.74,;10.85,3.37,;11.17,4.87,;11.88,2.22,;11.11,.89,;11.74,-.52,;13.41,2.38,;14.04,3.79,;15.57,3.95,;16.47,2.7,;15.85,1.3,;14.32,1.14,;16.75,.05,;18.28,.21,;16.13,-1.36,)|
Cc1ccc(O)c(c1)C(=O)\C=C\c1ccc2OCCOc2c1
CN(C)CCCN(C(=O)COc1ccc(Cl)cc1)c1nc2cc(C)cc(C)c2s1
CN(C)CCCN(C(=O)c1ccc(Br)s1)c1nc2c(C)c(C)ccc2s1
CN(C)CCCN(C(=O)CN1C(=O)c2ccccc2C1=O)c1nc2c(C)c(C)ccc2s1
CN(C)CCCN(C(=O)c1ccc(Br)s1)c1nc2cc(C)cc(C)c2s1
COc1cccc2sc(nc12)N(CCCN(C)C)C(=O)C(c1ccccc1)c1ccccc1
Nc1nccc(n1)-c1ccc(OCc2c(F)cccc2Cl)cc1
CCN1CCN(CCNC(=O)c2ccc(\C=C3/Sc4ccccc4N(Cc4ccccc4F)C3=O)cc2)CC1
CN(C)CCCNc1nn2c(nc3scc(-c4ccc(C)cc4)c3c2=O)c2ccccc12
CC(C)C1CCC(C)CC1OC(=O)C[n+]1cc(-c2ccc(Cl)cc2)n2CCCCCc12
CC(=O)Nc1ccc(cc1)-c1csc(NC(=O)Nc2ccccc2)n1
Oc1ccc(cc1)N1CCN(CC1)c1ncnc2sc(cc12)-c1ccccc1
[#6]-[#8]-c1cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c1-[#6](=O)-[#6]-[#6]-c1ccc(-[#8])cc1
CCC(C)(C)c1ccc(OCCCC[n+]2cccc(C)c2C)c(c1)C(C)(C)CC
Cc1cc(C)c2nc(Nc3nc(cc(=O)[nH]3)-c3ccccc3)nc(C)c2c1
COc1cccc(CN=Nc2nc(nc3ccccc23)-c2cccnc2)c1O |w:9.9|
COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1
FC(F)(F)c1cccnc1Oc1ccc(cc1)C1=NCCS1 |t:19|
CCCCCCCCCCOC(=O)Cn1c(COc2cccc(C)c2)[n+](C)c2ccccc12
[#7]\[#6](-[#7])=[#7]\c1nc(-c2ccccc2)c2cc(Cl)ccc2n1
CCCCCCOc1ccc(cc1)C(C)=NNC1=NCCN1 |w:15.16,t:18|
CCCCCCCCCCOC(=O)Cn1c(COc2ccc(OC)cc2)[n+](C)c2ccccc12
COc1ccc(cc1)-c1oc2ccc(cc2c1C#CC1(O)CCCCC1)-c1ccc2OCOc2c1
Cc1ccc(CN2CCC(CC2)c2cc(n[nH]2)-c2ccc(Cl)cc2)cc1
OC(CNCCc1ccc(cc1)C(F)(F)F)COC(c1ccccc1)c1ccccc1
COc1cc2nc(Nc3ccc(C)c(Cl)c3)nc(N)c2cc1OC
CC(C)c1ccc(NS(=O)(=O)c2ccc(cc2)-n2cccn2)cc1
CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)C(=O)c4c[nH]c5ccccc45)c3)cc2C(F)(F)F)CC1
CC(=NNC(=O)COc1cccc2ccccc12)c1cccs1 |w:2.2|
CCCCCCCNC(=O)C1(CC2CC(=NO2)c2ccc(Cl)cc2)CCNCC1 |c:14|
Cc1cc(NC(=O)c2cncc(Br)c2)ccc1NC(=O)c1cc2ccccc2o1
CCCCNc1c(nc2ccc(C)cn12)-c1cccc(c1)-c1cc(cs1)C(C)=O
COc1cccc(\C=C2\SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)c1
CN(C)CCCN(C(=O)c1cc2cc(ccc2s1)[N+]([O-])=O)c1nc2cc3OCCOc3cc2s1
Clc1ccc(C[n+]2c(cc(cc2-c2ccccc2)-c2ccccc2)-c2ccccc2)cc1
COc1ccc2-c3onc(C(=O)Nc4ccn(Cc5ccc(C)cc5)n4)c3CCc2c1
Clc1ccc(cc1)C1NC(=S)N=C2NC(N(C(=O)C12)c1ccc(Cl)cc1)c1ccc(Cl)cc1 |t:12|
Cc1nnnn1\C(=C/c1ccccc1)C(=O)OCC(=O)Nc1ccc(Cl)cc1F
CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1
CCc1ccc(OCCNc2cc(ccc2[N+]([O-])=O)N2CCNC(C)C2)cc1
COc1ccc(cc1OC)-c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)NCc1cc(C)oc1C(F)(F)F
COc1cc(OC)cc(\C=C2/Oc3ccc(cc3C2=O)C#Cc2ccc(O)cc2)c1
COc1ccc(cc1)-c1sc2ccc(cc2c1C#CC1(O)CCCCC1)N1CCOCC1
COc1ccc2sc(c(C#Cc3cncn3C)c2c1)-c1ccc(cc1)S(C)(=O)=O
CN(C)CCOc1ccc(cc1)-c1c(sc2ccccc12)-c1ccsc1
C(CN1CCCC1)Oc1ccc(cc1)-c1c(sc2ccccc12)-c1ccccc1
CN(C)CCOc1ccc(cc1)-c1c(sc2ccccc12)-c1ccccc1
COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN(C)C)cc1
COc1ccc(cc1)-c1sc2ccccc2c1-c1ccc(OCCN(C)C)cc1
CCN1C(=O)\C(S\C1=N/c1cccc(O)c1)=C1\Sc2ccc(OC)cc2N1C
CCn1c(SCC(=O)Nc2ccc(cc2)C(C)=O)nc2nc3CCCCc3cc2c1=O
CCCCCCCCCCCCCCCC[n+]1cccc(c1)C(=O)N(CC)CC
Oc1ccc(Br)cc1C1(OC(=O)c2ccccc12)c1ccccc1
Oc1ccc(cc1)C1(OC(=O)c2ccccc12)c1ccccc1
Cc1cc(C)c(CN2CCN(CCCn3cnc(n3)C(=O)Nc3ccc(C)c(C)c3)CC2)c(C)c1
Cc1ccc(NC(=O)c2ncn(CCCN3CCN(Cc4cccc5ccccc45)CC3)n2)cc1C
CCN1CCC(O)(\C=C\c2ccc(cc2)C(C)C)C(C1)C(=O)C=Cc1ccc(cc1)C(C)C |w:22.23|
CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccc(F)cc1
CCCCCCCCNS(=O)(=O)CCNCCc1ccccc1
CC(O)CC(=O)OC[C@]12CC[C@H]3[C@@](C)(CC[C@H]4C(C)(C)CCC[C@]34C)[C@@H]1CC(O2)C1=CC(=O)OC1O |t:33|
CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)C(=O)c4c[nH]c5ccccc45)cc(OC)c3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cc5cccc(OC)c5o4)cc(OC)c3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cncc(c4)-c4ccc(cc4)C#N)cc(OC)c3)cc2C(F)(F)F)CC1
COc1ccc(cn1)C(NC(=O)C1CCN(CCOc2ccc(Cl)cc2Cl)CC1)c1ccccc1C
NC(c1csc(NC(=O)Nc2ccccc2Oc2ccccc2)n1)c1ccccc1
CC(=O)Nc1cc(cn2c(cnc12)-c1cccc(c1)C(F)(F)F)-c1cccnc1
CC(=O)Nc1cc(cn2c(cnc12)-c1ccc(F)c(Cl)c1)-c1ccc(cc1)S(C)(=O)=O
COc1ccccc1NC(=O)Nc1nc(cs1)C(N)Cc1ccc(Cl)cc1
COc1cccc(c1)-c1cnc2c(NC=O)cc(cn12)-c1cc(OC)c(OC)c(OC)c1
CC(=O)Nc1cc(cn2c(cnc12)-c1ccc(F)cc1)-c1cccnc1
COc1ccc(cc1OC)-c1cnc2c(NC(C)=O)cc(cn12)-c1cc(F)ccc1OC
CC(=O)Nc1cc(cn2c(cnc12)-c1ccc(F)cc1)-c1cccc(F)c1
COc1ccc(cc1OC)-c1cnc2c(NC(C)=O)cc(cn12)-c1ccc(OC)c(OC)c1
COc1ccc(c(OC)c1)-c1cc(NC(C)=O)c2ncc(-c3cccc(c3)C(F)(F)F)n2c1
COc1ccc(CNC(=O)Nc2nc(cs2)C(N)Cc2ccc(cc2)C(F)(F)F)cc1
CN(C(c1ccc(F)cc1)c1ncccc1C)C(=O)C1CCN(CCOc2ccc(Cl)cc2Cl)CC1
CN(C)c1ccc(cc1)-c1cc(NC=O)c2ncc(-c3cccc(c3)C(C)=O)n2c1
COc1ccc(cc1OC)-c1cc(NC=O)c2ncc(-c3cccc(c3)C(F)(F)F)n2c1
COc1ccccc1-c1cc(NC=O)c2ncc(-c3cccc(c3)C(F)(F)F)n2c1
COc1ccc(cc1OC)-c1cnc2c(NC(C)=O)cc(cn12)-c1ccccc1OC
NC(Cc1ccc(cc1)C(F)(F)F)c1csc(Nc2nccc(n2)C(F)(F)F)n1
Cc1cc(C)nc(Nc2nc(cs2)C(N)Cc2ccc(Cl)cc2)n1
COc1ccc2C[C@H]3N(C)CC[C@@]45C(Oc1c24)C1(CCC35CC1COCC=C)OC |r|
CC1(C)N(Cc2c(Nc3ncnc4ccoc34)n[nH]c12)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r|
COc1ccc2C[C@H]3N(C)CC[C@@]45C(Oc1c24)C1(CCC35CC1COCC#C)OC |r|
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC |r,TLB:26:25:15.16:22.21|
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCC=C)OC |r,TLB:26:25:15.16:22.21|
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C1(CC[C@@]35C[C@@H]1COCC#N)OC |r,THB:9:8:6.5.19:23|
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCC1CCCCC1)OC |r,TLB:26:25:15.16:22.21|
COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCC1CCCCC1)OC |r,TLB:23:22:12.13:19.18|
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COc1ccccc1)OC |r,TLB:26:25:15.16:22.21|
COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COc1ccccc1)OC |r,TLB:23:22:12.13:19.18|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CCC(C1)N2CC(=O)N(C)CCO |t:21,TLB:26:25:21.22:24.18.19|
COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(Cl)cc1)OC |r,TLB:23:22:12.13:19.18|
COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(cc1)C(F)(F)F)OC |r,TLB:23:22:12.13:19.18|
COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(cc1)C(C)(C)C)OC |r,TLB:23:22:12.13:19.18|
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(cc1)C(F)(F)F)OC |r,TLB:26:25:15.16:22.21|
COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc2ccccc2c1)OC |r,TLB:23:22:12.13:19.18|
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(cc1)-c1ccccc1)OC |r,TLB:26:25:15.16:22.21|
COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1cccc(C)c1)OC |r,TLB:23:22:12.13:19.18|
COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(Cl)c(Cl)c1)OC |r,TLB:23:22:12.13:19.18|
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(Cl)c(Cl)c1)OC |r,TLB:26:25:15.16:22.21|
CCCCNC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45 |r,TLB:8:9:13.31.12:26.25.24,THB:10:9:13.31.12:26.25.24|
CC(C)NC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45 |r,TLB:7:8:12.30.11:25.24.23,THB:9:8:12.30.11:25.24.23|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)C(=O)N1CCCC1 |r,TLB:22:23:4.18.5:7.12.13,THB:24:23:4.18.5:7.12.13|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)C(=O)Nc1ccccc1 |r,TLB:22:23:4.18.5:7.12.13,THB:24:23:4.18.5:7.12.13|
CN(Cc1ccccc1)C(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45 |r,TLB:12:13:17.35.16:30.29.28,THB:14:13:17.35.16:30.29.28|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)C(=O)NCCOc1ccccc1 |r,TLB:22:23:4.18.5:7.12.13,THB:24:23:4.18.5:7.12.13|
CN(C)c1ccc(NC(=O)C2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](C2=O)[C@]3(CCN4CC2CC2)c56)cc1 |r,TLB:11:12:16.34.15:29.28.27,THB:13:12:16.34.15:29.28.27|
COC(=O)C(C)(C)NC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45 |r,TLB:11:12:16.34.15:29.28.27,THB:13:12:16.34.15:29.28.27|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)C(=O)Nc1cccnc1 |r,TLB:22:23:18.4.5:7.13.12,THB:24:23:18.4.5:7.13.12|
COc1ccc(NC(=O)C2=C(O)[C@@H]3Oc4c5c(C[C@H]6N(CC7CC7)CC[C@@]35[C@@]6(O)C2)ccc4O)cn1 |r,c:9,TLB:20:19:27:15.16.17|
COC(=O)C1(CCCC1)NC(=O)C1=C(O)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O |r,c:13,TLB:23:22:30:18.19.20|
COC(=O)C1(CC1)NC(=O)C1=C(O)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O |r,c:11,TLB:21:20:28:16.17.18|
OC1=C(C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)N[C@H]1CCOC1=O |r,t:1,THB:20:19:4:24.8.7|
OC(=O)c1cccc(NC(=O)C2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](C2=O)[C@]3(CCN4CC2CC2)c56)c1 |r,TLB:12:13:35.17.16:28.30.29,THB:14:13:35.17.16:28.30.29|
COC(=O)C1(CCC1)NC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45 |r,TLB:12:13:35.17.16:28.30.29,THB:14:13:35.17.16:28.30.29|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)C(=O)Nc1ccc(cn1)[N+]([O-])=O |r,TLB:22:23:18.4.5:13.7.12,THB:24:23:18.4.5:13.7.12|
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](C2=O)[C@]3(CCN4CC2CC2)c56)c1 |r,TLB:19:20:42.24.23:35.37.36,THB:21:20:42.24.23:35.37.36|
Cc1cc(=O)[nH]c2cc(NC(=O)C3C[C@@]4(O)[C@H]5Cc6ccc(O)c7O[C@@H](C3=O)[C@]4(CCN5CC3CC3)c67)ccc12 |r,TLB:13:14:36.18.17:29.31.30,THB:15:14:36.18.17:29.31.30|
COc1cc(NC(=O)C2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](C2=O)[C@]3(CCN4CC2CC2)c56)ncn1 |r,TLB:9:10:32.14.13:25.27.26,THB:11:10:32.14.13:25.27.26|
CC(C)NC(=O)C1=C(NS(=O)(=O)c2ccc(Cl)cc2)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O |r,c:6,TLB:35:34:22.23.24:32.26.31,THB:36:34:22.23.24:32.26.31|
Cc1ccc2nc(=O)c3C[C@@]4(O)[C@H]5Cc6ccc(O)c7O[C@@H](c3n2c1)[C@]4(CCN5CC1CC1)c67 |r,TLB:9:10:33.14.13:26.28.27,THB:11:10:33.14.13:26.28.27|
COCC1(CC1)NC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45 |r,TLB:10:11:33.15.14:26.28.27,THB:12:11:33.15.14:26.28.27|
CC(C)(NC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45)c1nc(no1)-c1ccccc1 |r,TLB:7:8:30.12.11:23.25.24,THB:9:8:30.12.11:23.25.24|
Cc1noc(n1)C(C)(C)NC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45 |r,TLB:13:14:36.18.17:29.31.30,THB:15:14:36.18.17:29.31.30|
COCC(C)(C)NC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45 |r,TLB:10:11:33.15.14:26.28.27,THB:12:11:33.15.14:26.28.27|
COCC(C)(COC)NC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45 |r,TLB:12:13:35.17.16:28.30.29,THB:14:13:35.17.16:28.30.29|
CC(C)NC(=O)C1=C(NS(=O)(=O)c2ccc(F)cc2)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O |r,c:6,TLB:35:34:22.23.24:32.26.31,THB:36:34:22.23.24:32.26.31|
C[C@H]1CN2C[C@@H](CC[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r|
C[C@H]1CN2CCN(CCc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
C[C@H]1CN2CCN(C[C@H]2C[C@@]1(C)c1cccc(O)c1)C(=O)c1ccccc1 |r|
C[C@H]1CN2CCN(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
C[C@H]1CN2C[C@@H](NC[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r|
C[C@H]1CN2C[C@@H](N(C)C[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r|
C[C@H]1CN2C[C@H](Cc3ccccc3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
O=c1[nH]c2ccccc2n(C2CCN(CC2)C2Cc3cccc4cccc2c34)c1=O
NC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2Cc3cccc4cccc2c34)c(=O)c1=O
O=c1n(CC#N)c2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
O=c1[nH]c2ccc(cc2n(C2CCN(CC2)C2CCCCCCC2)c1=O)N1CCOCC1
O=c1[nH]c2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O |r|
O=c1[nH]c2ccccc2n([C@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O |r|
O=c1[nH]c2ccccc2n([C@H]2C[C@H]3C=C[C@@H](C2)N3C2CCCCC\C=C/2)c1=O |r,c:14,27,TLB:9:10:17:13.14|
O=c1[nH]c2ccccc2n([C@@H]2C[C@H]3C=C[C@@H](C2)N3C2CCCCC\C=C/2)c1=O |r,c:14,27,TLB:9:10:17:13.14|
O=c1[nH]c2ncccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
O=C1CC(=O)N(C2CCN(CC2)C2CCCCCCC2)c2cccnc2N1
O=C1CC(=O)N(C2CCN(CC2)C2CCCCCCC2)c2ccccc2N1
O=c1[nH]c2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
CC(C)C1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c(=O)c1=O |(2,-7.31,;.67,-6.54,;-.67,-7.31,;.67,-5,;-.67,-4.23,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;.67,-.38,;-.67,.38,;-.67,1.93,;.67,2.69,;2,1.93,;2,.38,;.67,4.23,;-.67,5,;-2,4.23,;-3.33,5,;-3.33,6.54,;-2,7.31,;-.67,6.54,;.67,7.31,;2,6.54,;3.33,7.31,;2,5,;3.33,4.23,)|
CN(C)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
OCCNc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
O=c1c(nc2ccccc2n1C1CCN(CC1)C1CCCCCCC1)N1CC2CNCC2C1
O=c1c(NCc2ccccc2)nc2ccccc2n1C1CCN(CC1)C1CCCCCCC1
CC(C)(C)OC(=O)NCCNc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
CC(C)(C)OC(=O)N1CCN(CC1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
NCCNc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
O=c1c(nc2ccccc2n1C1CCN(CC1)C1CCCCCCC1)N1CCNCC1
CS(=O)(=O)NCCNc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
CN1CC2CN(CC2C1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
CC(=O)N1CC2CN(CC2C1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
CC(C)(C)OC(=O)Nc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
Nc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
COC(=O)C1CCN(CC1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
CC(=O)Nc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
O=C1CN(CCN1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
O=c1c(nc2ccccc2n1C1CCN(CC1)C1CCCCCCC1)N1Cc2ccccc2C1
CC(C)(C)OC(=O)NC1CCN(CC1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
NC1CCN(CC1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
CC(=O)NC1CCN(CC1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
C=CCNc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
OCC(O)CNc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
NC(=N)NCCNc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
COC(=O)[C@@H]1CCCN1c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O |r|
COC(=O)[C@@H]1C[C@@H](O)CN1c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O |r|
CS(=O)(=O)NC1CCN(CC1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
O=c1c(NC2CCNCC2)nc2ccccc2n1C1CCN(CC1)C1CCCCCCC1
NC(=O)CNc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
NC(=O)[C@H](CO)Nc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O |r|
COc1ccc(Nc2nc3ccccc3n(C3CCN(CC3)C3CCCCCCC3)c2=O)cn1
CC(=O)N[C@@H]1CCN(C1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O |r|
O=c1c(nc2ccccc2n1C1CCN(CC1)C1CCCCCCC1)N1CCc2ccccc12
N[C@H]1CCN(C1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O |r|
NC(=O)[C@@H]1CCCN1c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O |r|
O=c1c(nc2ccccc2n1C1CCN(CC1)C1CCCCCCC1)N1CCc2ccccc2C1
COC(=O)c1ccc2CCN(Cc2c1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
O=c1ccc(Nc2nc3ccccc3n(C3CCN(CC3)C3CCCCCCC3)c2=O)c[nH]1
COC(=O)C(CO)Nc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
NC(=O)CCNc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
CC(=O)N1CCC(CC1)Nc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
CS(=O)(=O)N1CCC(CC1)Nc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
N[C@@H]1CCN(C1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O |r|
OC1CCN(CC1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
OC[C@H](O)CNc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O |r|
OC[C@@H](O)CNc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O |r|
OC[C@H](Nc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O)C(O)=O |r|
CCOC(=O)CNc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
NCC(O)CNc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
CC(=O)N[C@H]1CCN(C1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O |r|
NC(=O)C1CCCN(C1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
CCOC(=O)CN(C)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
CN(CC(O)CO)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
CS(=O)(=O)N[C@@H]1CCN(C1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O |r|
OCC(CO)Nc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
O[C@H]1CCN(C1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O |r|
COc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O |r|
CCOC(=O)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
[O-]C(=O)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O |r|
NC(=O)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
CNC(=O)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
OCC(O)CNC(=O)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
COc1ccc(NC(=O)c2nc3ccccc3n(C3CCN(CC3)C3CCCCCCC3)c2=O)cn1
CN(C)C(=O)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
O=C(Nc1ccc(=O)[nH]c1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
CONC(=O)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
O=C(NOCc1ccccc1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
O=C1CNc2ccccc2N1C1CCN(CC1)C1CCCCCCC1
O=C1CN(C2CCN(CC2)C2CCCCCCC2)c2ccccc2N1
O=c1c(nc2ccccc2n1C1CCN(CC1)C1CCCCCCC1)C#N
OC[C@H](O)CNc1nc2ccccc2n(C2CCN(CC2)C23CC4CC(CC(C4)C2)C3)c1=O |r,TLB:28:23:30:27.29.26,28:27:30:23.22.24,24:25:29:23.22.28,THB:24:23:29:30.25.26|
NC(=O)CNc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O |r|
OCC(O)CNc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O |r|
O[C@@H]1CCN(C1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O |r|
NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O |r|
ONC(=O)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
O=c1c(nc2ncccc2n1C1CCN(CC1)C1CCCCCCC1)N1CC2CNCC2C1
OC[C@H](O)CNc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O |r|
NC(=O)CNc1nc2ccccc2n([C@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O |r|
OC(=O)c1nc2ccc(F)cc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O |r|
OC(=O)CN1CCN(CC1)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O |r|
OC(=O)c1cccc(CNc2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)c1 |r|
OC(=O)C1CCCN1C(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O |r|
CN(CC(O)=O)C(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O |r,THB:25:24:17.18.23:20.21|
CC(C)(NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)C(O)=O |r,THB:23:22:15.16.21:18.19|
CSCCC(NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)C(O)=O |r,THB:25:24:17.18.23:20.21|
OC(=O)CC(NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)C(O)=O |r,THB:25:24:17.18.23:20.21|
OC(=O)[C@@H](NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)c1ccccc1 |r|
CC(NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)C(O)=O |r,THB:22:21:14.15.20:17.18|
CC(C)CC(NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)C(O)=O |r,THB:25:24:17.18.23:20.21|
OC(=O)c1ccc(CNC(=O)c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)cc1 |r,THB:28:27:20.21.26:23.24|
O=C(NCc1nn[nH]n1)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O |r,THB:26:25:18.19.24:21.22|
OC(=O)c1ccc(CNC(=O)c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)nc1 |r,THB:28:27:20.21.26:23.24|
OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C23CC4CC2CC(C3)C4)c1=O |r,THB:25:24:21:28.26.27,25:26:24.23:21|
CCC(C#CC(C)(C)C)N1[C@H]2CC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(C(O)=O)c1=O |r|
CCOC(=O)[C@@H]1CN(CCNc2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)C[C@H]1C(=O)OCC |r,THB:28:27:20.21.26:23.24|
OC(=O)[C@@H]1CN(CCNc2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)C[C@H]1C(O)=O |r,THB:26:25:18.19.24:21.22|
CN(C)C1(CCN(CC1)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)C(O)=O |r|
CCOC(=O)C1CN(CCNc2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)C[C@H]1C(=O)OCC |r,THB:28:27:20.21.26:23.24|
CC1(CCCCCCC1)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(C(O)=O)c1=O |r,THB:18:16:9:13.11.12|
OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCC\C=C/2)c1=O |r,c:30,TLB:11:12:20:15.16.17|
OC(=O)[C@@H](NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O)c1ccccc1 |r|
CCOC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C(C)CCC(C)C)c1=O |r|
CCOC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C(C)CC(C)C)c1=O |r|
CC(C)CCC(C)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(C(O)=O)c1=O |r|
CC(C)CC(C)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(C(O)=O)c1=O |r|
OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C23CCCC(CCC2)C3)c1=O |r|
CN(CC(O)=O)[C@H]1CCN(C1)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O |r,TLB:19:20:28:25.23.24|
CCOC(=O)c1nc2ccccc2n([C@H]2C[C@@H]3CCC[C@H](C2)N3C\C=C2/CCC3CC2C3(C)C)c1=O |r|
OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C23CCC(CC2)C3)c1=O |r|
OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCCC2)c1=O |r|
OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCC2)c1=O |r|
OC(=O)c1nc2ccccc2n([C@H]2C[C@H]3CCCC[C@@H](C2)N3C2CCCCC\C=C/2)c1=O |r,c:31,TLB:11:12:21:15.18.16.17|
OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O |r,THB:19:20:27:24.23.25|
OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2C3CC4CC(C3)CC2C4)c1=O |r,wU:12.12,18.21,wD:14.22,TLB:20:21:23:25.26.27,THB:21:29:25:23.22.27,21:22:25:29.28.30,28:29:23:25.26.27,28:26:23:29.21.30,(4,5.78,;2.67,6.55,;2.67,8.09,;1.33,5.78,;,6.55,;-1.33,5.78,;-2.67,6.55,;-4,5.78,;-4,4.24,;-2.67,3.47,;-1.33,4.24,;,3.47,;,1.93,;-.57,.5,;.66,-.43,;1.43,.9,;2.76,1.67,;2.47,.48,;1.81,-.43,;.58,.5,;1.24,-1.86,;1.24,-3.4,;-.28,-3.63,;-.84,-5.06,;.12,-6.26,;.12,-8.09,;1.35,-6.89,;-.14,-5.01,;2.7,-6.66,;2.2,-4.6,;1.65,-6.03,;1.33,4.24,;2.67,3.47,)|
CC1(C)[C@@H]2C[C@H]1[C@H](CCN1[C@H]3CC[C@@H]1C[C@@H](C3)n1c3ccccc3nc(C(O)=O)c1=O)CC2 |r|
CC(C)CC(C)N1[C@H]2CC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(C(O)=O)c1=O |r|
NC(=O)CN1C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O |r|
Oc1ccc(CN2C[C@H]3[C@H]4Cc5ccc(O)cc5[C@@]3(CCN4CC3CC3)CC2=O)cc1 |r|
Oc1ccc2C[C@@H]3[C@@H]4CNC(=O)C[C@]4(CCN3CC3CC3)c2c1 |r|
OC(=O)CN1C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O |r|
Oc1ccc2C[C@@H]3[C@@H]4CNCC[C@]4(CCN3CC3CC3)c2c1 |r|
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)Cc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:31.30:4.3|
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)CC(O)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:28.27:4.3|
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)Cc1c[nH]cn1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:30.29:4.3|
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)CN)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:24.23:4.3|
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](CO)NC(C)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:29.28:4.3|
COC12CC[C@@]3(C[C@@H]1CNC(=O)c1ccccc1C(O)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:31.30:4.3|
CN1CC[C@@]23[C@H]4Oc5c2c(CC1C3C=C[C@@H]4O)ccc5O |r,c:16,TLB:17:9:12:1.3.2,7:8:12:1.3.2|
CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(cc2)-c2ccccc2)c(O)c31 |r|
CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2nc4ccccc4[nH]2)c(O)c31 |r|
Oc1c(ccc2C[C@H]3N(CCc4ccccc4)CC[C@@]4(CC(=O)CC[C@@]34O)c12)C(=O)NCCc1ccc(cc1)-c1c[nH]c(=O)[nH]c1=O |r|
CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(cc2)-c2ccc(=O)[nH]c2)c(O)c31 |r|
CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(cc2)-c2cnc(O)nc2O)c(O)c31 |r|
CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(cc2)-c2c[nH]c(=O)[nH]c2=O)c(O)c31 |r|
CN1CC[C@]23CC(=C)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(cc2)-c2c[nH]c(=O)[nH]c2=O)c(O)c31 |r|
CO[C@@]12CCC(=O)C[C@@]11CCN(C)[C@@H]2Cc2ccc(C(=O)NCCc3ccc(cc3)-c3c[nH]c(=O)[nH]c3=O)c(O)c12 |r|
CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(cc2)-c2cn[nH]c2)c(O)c31 |r|
CN1CC[C@]23CC(=O)CCC2[C@H]1Cc1ccc(C(=O)NCCc2nc4ccccc4[nH]2)c(O)c31 |r|
CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(cc2)-c2cc[nH]c(=O)c2)c(O)c31 |r|
CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(cc2)-c2cnc(=O)[nH]c2)c(O)c31 |r|
COC(=O)c1cc2C[C@H]3[C@H]4Cc5ccc(OC)cc5[C@@]3(CCN4CC3CC3)Cc2[nH]c1=O |r|
NC(=O)c1cc2C[C@@]3(O)[C@H]4Cc5ccc(O)cc5[C@@]3(CCN4CC3CC3)Cc2[nH]c1=O |r|
OC(=O)c1cc2C[C@@]3(O)[C@H]4Cc5ccc(O)cc5[C@@]3(CCN4CC3CC3)Cc2[nH]c1=O |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CC[C@@]34O)NC(=O)NC5=O)c2c1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CNC(=O)N5)CC[C@@]34O)c2c1 |r|
OC(=O)CN1CCC[C@@H](C1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 |r,THB:28:27:19.20.26:22.24.23|
OC(=O)CN1CCC[C@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:27:26:18.19.25:21.23.22|
OC(=O)CN1CCC[C@@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:27:26:18.19.25:21.23.22|
OC(=O)CCN1CCC[C@@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:28:27:19.20.26:22.24.23|
NC(=O)CN1CCC[C@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:27:26:18.19.25:21.23.22|
OC(=O)CN1CCCC[C@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:28:27:19.20.26:22.24.23|
OC(=O)CN1CCCC[C@@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:28:27:19.20.26:22.24.23|
OC(=O)CN1CCC[C@@H](C1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:28:27:19.20.26:22.24.23|
OC(=O)CCN1CCC[C@@H](C1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:29:28:20.21.27:23.25.24|
OC(=O)CN1\C(N([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c2ccccc12)=C1\CCCN(CC(O)=O)C1 |r,THB:16:15:7.8.14:10.12.11|
OC(=O)CCN1CCC(Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)CC1 |r,THB:28:27:19.20.26:22.24.23|
OC(=O)CN1CCN(Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1 |r,THB:27:26:18.19.25:21.23.22|
CCOC(=N)\N=c1/[nH]c2ccccc2n1C1CCN(CC1)C1CCCCCCC1
NC(=O)\N=c1/[nH]c2ccccc2n1C1CCN(CC1)C1CCCCCCC1
CONC(=N)\N=c1/[nH]c2ccccc2n1C1CCN(CC1)C1CCCCCCC1
OC(=O)CNc1nc2ccccc2n1C1C[C@@H]2CCC[C@H](C1)N2C1CCCCCCCCC1 |r,THB:23:22:14.15.21:17.19.18|
OCc1nc2ccccc2n1C1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 |r,THB:20:19:11.12.18:14.16.15|
OC(=O)CO\N=C\c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 |r,THB:25:24:16.17.23:19.21.20|
CS(=O)(=O)NCCN1CCC[C@H]1Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:31:30:22.23.29:25.27.26|
OC(=O)CN1CCC[C@H]1Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:28:27:19.20.26:22.24.23|
OC(=O)CCN1CC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)C1 |r,THB:28:27:19.20.26:22.24.23|
CS(=O)(=O)NCCN1CC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)C1 |r,THB:30:29:21.22.28:24.26.25|
CCN(CC)C(=O)CN1CC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)C1 |r,THB:31:30:22.23.29:25.27.26|
C([C@H]1COCCN1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:25:24:16.17.23:19.21.20|
C([C@@H]1COCCN1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:25:24:16.17.23:19.21.20|
OC(=O)CCN1CCC[C@H]1Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:29:28:20.21.27:23.25.24|
OC(=O)CN1CCCC[C@H]1Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:29:28:20.21.27:23.25.24|
C1C[C@H]2C[C@H](C[C@@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2)n1c(nc2ccccc12)-c1c[nH]cn1 |r,TLB:9:8:4.3.5:1.7.0|
C1C[C@H]2C[C@H](C[C@@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2)n1c(nc2ccccc12)-c1cc[nH]n1 |r,TLB:9:8:4.3.5:1.7.0|
Cn1cc(Cl)c(n1)-c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:25:24:16.17.23:19.21.20|
COc3ccc4C[C@@H]7[C@@]26CC[C@@](OC)([C@@H](COCc1ccc(Cl)c(Cl)c1)C2)[C@@H]5Oc3c4[C@@]56CC[N+]7(C)CC8CC8
COc4ccc5C[C@@H]8[C@@]37CC[C@@](OC)([C@@H](COCc2cc1OCOc1cc2Cl)C3)[C@@H]6Oc4c5[C@@]67CC[N+]8(C)CC9CC9
COc3ccc4C[C@@H]7[C@@]26CC[C@@](OC)([C@@H](COCc1ccc(C)cc1)C2)[C@@H]5Oc3c4[C@@]56CC[N+]7(C)CC8CC8
CO[C@]13CC[C@@]4(C[C@@H]1COCc2ccc(F)cc2)[C@H]5Cc7ccc(O)c8O[C@@H]3[C@]4(CC[N+]5(C)CC6CC6)c78
CO[C@]14CC[C@@]5(C[C@@H]1COCc3cc2ccccc2s3)[C@H]6Cc8ccc(O)c9O[C@@H]4[C@]5(CC[N+]6(C)CC7CC7)c89
CO[C@]13CC[C@@]4(C[C@@H]1COCc2ccc(C)cc2)[C@H]5Cc7ccc(O)c8O[C@@H]3[C@]4(CC[N+]5(C)CC6CC6)c78
CO[C@]13CC[C@@]4(C[C@@H]1COCc2ccccc2)[C@H]5Cc7ccc(O)c8O[C@@H]3[C@]4(CC[N+]5(C)CC6CC6)c78
COc8ccc(COC[C@H]1C[C@]25CC[C@]1(OC)[C@@H]4Oc7c(OC)ccc6C[C@H]2[N+](C)(CC3CC3)CC[C@]45c67)cc8
CO[C@]13CC[C@@]4(C[C@@H]1COCc2ccoc2)[C@H]5Cc7ccc(O)c8O[C@@H]3[C@]4(CC[N+]5(C)CC6CC6)c78
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccsc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CC[N+]1(C)CC1CC1)c45 |r,TLB:8:7:26.25:3.4|
COc1ccc2C[C@@H]3[C@]45CC[C@](OC)([C@@H]6Oc1c2[C@]46CC[N+]3(C)CC1CC1)[C@@H](COCc1ccc(cc1)C(C)(F)F)C5 |r,TLB:28:27:18.14:10.9|
COc1ccc2C[C@@H]3[C@]45CC[C@](OC)([C@@H]6Oc1c2[C@]46CC[N+]3(C)CC1CC1)[C@@H](COCc1ccco1)C5 |r,TLB:28:27:18.14:10.9|
OC(=O)c1nc2ccccc2n(C2CC3CCC(C2)N3C2CC3CCCC(C3)C2)c1=O |TLB:19:20:27:23.24.25,11:12:15.16:19,20:19:12.18.13:15.16|
OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O |r,TLB:11:12:20:15.17.16,THB:20:21:28:25.24.26|
N[C@]12CCC[C@H](C[C@@H](C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CC2CCCC(C2)C1 |r,TLB:9:7:23:4.2.3,23:24:31:27.28.29,24:23:7.8.6:4.2.3|
C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(C([O-])=O)c1=O |r,THB:8:10:18.16.17:12.14.13|
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1C)[C@H]1Cc4ccc(OCCO)c5O[C@@H]2[C@]3(CCN1C)c45 |r,TLB:8:7:31.30:4.3|
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(N)c5O[C@@H]2[C@]3(CCN1C)c45 |r,TLB:8:7:27.26:4.3|
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C=C)c5O[C@@H]2[C@]3(CCN1C)c45 |r,TLB:8:7:28.27:4.3|
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(F)c5O[C@@H]2[C@]3(CCN1C)c45 |r,TLB:8:7:27.26:4.3|
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COc1ccc(cc1)-n1ccnc1)OC |r,THB:26:25:15.16:22.21|
COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CSc1nc2ccccc2s1)OC |r,THB:23:22:12.13:19.18|
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CSc1nc2ccccc2s1)OC |r,THB:26:25:15.16:22.21|
CO[C@]12CC[C@@]3(C[C@@H]1COc1ccc(cc1)-n1ccnc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |r,TLB:8:7:31.30:4.3|
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CSc1nc(C)ns1)OC |r,THB:26:25:15.16:22.21|
CO[C@]12CC[C@@]3(C[C@@H]1COc1ccc(cc1)-n1ccnc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:31.30:4.3|
COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CSc1nc(C)ns1)OC |r,THB:23:22:12.13:19.18|
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CSc1nncs1)OC |r,THB:26:25:15.16:22.21|
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(F)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:27.26:4.3|
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(NS(C)(=O)=O)c5O[C@@H]2[C@]3(CCN1C)c45 |r,TLB:8:7:31.30:4.3|
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(NC(C)=O)c5O[C@@H]2[C@]3(CCN1C)c45 |r,TLB:8:7:30.29:4.3|
COc1ccc2C[C@H]3NCC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC |r,THB:22:21:11.12:18.17|
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C#N)c5O[C@@H]2[C@]3(CCN1C)c45 |r,TLB:8:7:28.27:4.3|
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C(N)=O)c5O[C@@H]2[C@]3(CCN1C)c45 |r,TLB:8:7:29.28:4.3|
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1)c45 |r,TLB:8:7:27.26:4.3|
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C(O)=O)c5O[C@@H]2[C@]3(CCN1C)c45 |r,TLB:8:7:29.28:4.3|
COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1c(C)noc1C)OC |r,THB:23:22:12.13:19.18|
CO[C@]12CC[C@@]3(C[C@@H]1COCc1cc4ccccc4s1)[C@H]1Cc4ccc(OCCO)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:33.32:4.3|
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1c(C)noc1C)OC |r,THB:26:25:15.16:22.21|
CO[C@]12CC[C@@]3(C[C@@H]1CNCc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:27.26:4.3|
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CNCc1ccccc1)OC |r,THB:26:25:15.16:22.21|
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CN(Cc1ccccc1)S(C)(=O)=O)OC |r,THB:26:25:15.16:22.21|
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CN(Cc1ccccc1)C(C)=O)OC |r,THB:26:25:15.16:22.21|
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CSCc1ccccc1)OC |r,THB:26:25:15.16:22.21|
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CS(=O)Cc1ccccc1)OC |r,THB:26:25:15.16:22.21|
COCCOCCOCCOC[C@H]1C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4OC |r,TLB:11:12:34.20:15.16|
COCCOCCOCCOCCOCCOC[C@H]1C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4OC |r,TLB:17:18:40.26:21.22|
COCCOCCOCCOc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC |r,THB:35:34:24.25:31.30|
COCCOCCOCCOCCOCCOc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC |r,THB:41:40:30.31:37.36|
COCCOCCOCCOc1ccc(COC[C@H]2C[C@]34CC[C@]2(OC)[C@@H]2Oc5c6c(C[C@H]3N(CC3CC3)CC[C@@]426)ccc5OC)cc1 |r,TLB:17:18:40.26:21.22|
COCCOCCOCCOCCOCCOc1ccc(COC[C@H]2C[C@]34CC[C@]2(OC)[C@@H]2Oc5c6c(C[C@H]3N(CC3CC3)CC[C@@]426)ccc5OC)cc1 |r,TLB:23:24:46.32:27.28|
COC(=O)COc1ccc(COC[C@H]2C[C@]34CC[C@]2(OC)[C@@H]2Oc5c6c(C[C@H]3N(CC3CC3)CC[C@@]426)ccc5OC)cc1 |r,TLB:12:13:35.21:16.17|
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(OCC(O)=O)cc1)OC |r,THB:26:25:15.16:22.21|
COc1ccc2C[C@H]3N(CCC(N)=O)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC |r,THB:27:26:16.17:23.22|
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1cccc(NC(N)=O)c1)OC |r,THB:26:25:15.16:22.21|
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COC(=O)[C@@H](N)Cc1ccccc1)OC |r,THB:26:25:15.16:22.21|
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1cccc(NCC(O)=O)c1)OC |r,THB:26:25:15.16:22.21|
CCCc1cc(COC[C@H]2C[C@]34CC[C@]2(OC)[C@@H]2Oc5c6c(C[C@H]3N(C)CC[C@@]426)ccc5OC)on1 |r,TLB:8:9:28.17:12.13|
COc1ccc2C[C@H]3N(CCC(O)=O)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC |r,THB:27:26:16.17:23.22|
COc1ccc2C[C@H]3N(CC(N)=O)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC |r,THB:26:25:15.16:22.21|
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(OCC(O)=O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:31.30:4.3|
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(OCc5nn[nH]n5)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:33.32:4.3|
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(OCC(N)=O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:31.30:4.3|
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCC(O)CO)OC |r,w:29.36,THB:26:25:15.16:22.21|
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C(O)=O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:29.28:4.3|
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COC(=O)[C@H](C)N)OC |r,THB:26:25:15.16:22.21|
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COC(=O)[C@@H](N)CC(C)C)OC |r,THB:26:25:15.16:22.21|
CO[C@]12CC[C@@]3(C[C@@H]1COC(=O)[C@@H](N)Cc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:31.30:4.3|
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(cc1)C(O)CO)OC |r,THB:26:25:15.16:22.21|
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(Br)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:27.26:4.3|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@H](O)c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@](C)([C@H](O)c4ccccc4)[C@]2(OC)C=C1)ccc3O |r,wU:17.21,16.16,19.23,1.0,wD:29.35,21.25,7.7,c:38,TLB:21:19:16.1:33.32,THB:10:9:17:4.5.6,20:19:16.1:33.32,(-3.17,.26,;-2.2,.57,;-3.38,2.21,;-2.2,3.8,;-.81,2.99,;.55,3.8,;1.94,2.99,;1.94,1.4,;2.83,1.9,;3.33,.57,;4.33,-.58,;5.84,-.3,;7.2,-.82,;6.92,.69,;2.73,2.15,;.51,2.18,;-.81,1.4,;.55,.57,;.55,-.99,;-.81,-1.79,;-1.89,-2.38,;.53,-2.51,;1.56,-1.84,;.61,-4.05,;-.68,-4.89,;-.6,-6.42,;.77,-7.12,;2.06,-6.28,;1.98,-4.74,;-2.2,-.99,;-3.6,-1.56,;-4.57,-.8,;-.88,-.72,;-.88,.28,;.55,5.4,;-.81,6.2,;-2.2,5.4,;-3.26,6.01,)|
CO[C@]12C=C[C@@]3(C[C@]1(C)[C@@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,wU:27.40,26.27,2.1,7.9,9.10,wD:5.5,17.34,7.8,c:3,TLB:9:7:27.26:4.3,8:7:27.26:4.3,(-2.59,-4.56,;-1.25,-3.81,;-1.24,-2.28,;-1.49,-1.01,;-.9,.2,;-.91,1.55,;-2.33,.54,;-2.59,-1.13,;-4.1,-.93,;-3.61,-2.27,;-3.13,-3.72,;-5.1,-1.95,;-6.13,-3.09,;-7.62,-2.78,;-8.1,-1.32,;-7.08,-.18,;-5.58,-.5,;.77,2.37,;2.38,2.46,;3.18,1.1,;4.71,.7,;5.08,-.8,;3.98,-1.88,;4.32,-3.38,;2.49,-1.38,;1.22,-2.28,;.1,-1.17,;.36,.57,;-.21,2.25,;-.59,3.79,;.93,3.98,;2,5.08,;1.58,6.55,;.49,7.62,;1.96,8.03,;1.92,.13,)|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@H](O)c4ccccc4)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,21.26,wD:29.35,7.7,17.39,c:38,THB:10:9:17:4.5.6,(9.21,-13.98,;9.22,-12.26,;7.63,-13.17,;6.17,-12.26,;6.92,-10.94,;6.17,-9.62,;6.92,-8.28,;8.42,-8.28,;9.75,-7.5,;8.46,-6.73,;9.24,-5.36,;10.78,-5.35,;12.11,-6.11,;12.1,-4.57,;7.67,-7.71,;7.67,-9.6,;8.46,-10.94,;9.24,-9.62,;10.78,-9.62,;11.56,-10.94,;12.33,-9.61,;13.1,-10.95,;13.86,-12.29,;13.88,-9.61,;15.44,-9.63,;16.22,-8.29,;15.45,-6.93,;13.88,-6.93,;13.11,-8.27,;10.76,-12.28,;11.53,-13.63,;10.74,-14.97,;9.47,-11.48,;10.58,-10.39,;4.63,-9.62,;3.84,-10.94,;4.63,-12.26,;3.83,-13.62,)|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@](C)([C@H](O)c4cccc(C)c4)[C@]2(OC)C=C1)ccc3O |r,wU:17.21,16.16,19.23,1.0,wD:30.36,21.25,7.7,c:39,TLB:21:19:16.1:34.33,THB:10:9:17:4.5.6,20:19:16.1:34.33,(-3.17,.26,;-2.2,.57,;-3.38,2.21,;-2.2,3.8,;-.81,2.99,;.55,3.8,;1.94,2.99,;1.94,1.4,;2.83,1.9,;3.33,.57,;4.33,-.58,;5.84,-.3,;7.2,-.82,;6.92,.69,;2.73,2.15,;.51,2.18,;-.81,1.4,;.55,.57,;.55,-.99,;-.81,-1.79,;-1.89,-2.38,;.53,-2.51,;1.56,-1.84,;.61,-4.05,;1.98,-4.74,;2.06,-6.28,;.77,-7.12,;-.6,-6.42,;-1.63,-7.1,;-.68,-4.89,;-2.2,-.99,;-3.6,-1.56,;-4.57,-.8,;-.88,-.72,;-.88,.28,;.55,5.4,;-.81,6.2,;-2.2,5.4,;-3.26,6.01,)|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)[C@H](O)c1ccccc1)ccc3O |r,TLB:26:23:16.1:18.19,THB:10:9:17:4.5.6,24:23:16.1:18.19|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@](C)([C@H](O)c4ccc(F)cc4)[C@]2(OC)C=C1)ccc3O |r,wU:17.21,16.16,19.23,1.0,wD:30.36,21.25,7.7,c:39,TLB:21:19:16.1:34.33,THB:10:9:17:4.5.6,20:19:16.1:34.33,(-3.17,.26,;-2.2,.57,;-3.38,2.21,;-2.2,3.8,;-.81,2.99,;.55,3.8,;1.94,2.99,;1.94,1.4,;2.83,1.9,;3.33,.57,;4.33,-.58,;5.84,-.3,;7.2,-.82,;6.92,.69,;2.73,2.15,;.51,2.18,;-.81,1.4,;.55,.57,;.55,-.99,;-.81,-1.79,;-1.89,-2.38,;.53,-2.51,;1.56,-1.84,;.61,-4.05,;-.68,-4.89,;-.6,-6.42,;.77,-7.12,;.84,-8.35,;2.06,-6.28,;1.98,-4.74,;-2.2,-.99,;-3.6,-1.56,;-4.57,-.8,;-.88,-.72,;-.88,.28,;.55,5.4,;-.81,6.2,;-2.2,5.4,;-3.26,6.01,)|
C[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
COCCOCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CCC1)c45 |r,TLB:31:32:35.36.53:47.45.46,THB:33:32:35.36.53:47.45.46|
CO[C@H]1C=CC2C3Cc4ccc(O)c5OC1[C@]2(CCN3C)c45 |r,c:3,TLB:13:21:5:19.17.18,9:8:5:19.17.18|
COCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:17:25:8:23.21.22,13:12:8:23.21.22|
COCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:20:28:11:26.24.25,16:15:11:26.24.25|
COCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:23:31:14:29.27.28,19:18:14:29.27.28|
COCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:26:34:17:32.30.31,22:21:17:32.30.31|
COCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:29:37:20:35.33.34,25:24:20:35.33.34|
COCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:32:40:23:38.36.37,28:27:23:38.36.37|
COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:35:43:26:41.39.40,31:30:26:41.39.40|
COCCOCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:41:49:32:47.45.46,37:36:32:47.45.46|
COCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CCC1)c45 |r,TLB:13:14:17.18.35:29.27.28,THB:15:14:17.18.35:29.27.28|
COCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CCC1)c45 |r,TLB:16:17:20.21.38:32.30.31,THB:18:17:20.21.38:32.30.31|
COCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CCC1)c45 |r,TLB:19:20:23.24.41:35.33.34,THB:21:20:23.24.41:35.33.34|
COCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CCC1)c45 |r,TLB:22:23:26.27.44:38.36.37,THB:24:23:26.27.44:38.36.37|
COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CCC1)c45 |r,TLB:25:26:29.30.47:41.39.40,THB:27:26:29.30.47:41.39.40|
COCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CCC1)c45 |r,TLB:28:29:32.33.50:44.42.43,THB:30:29:32.33.50:44.42.43|
C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(N2CC[C@@H]2C(O)=O)c1=O |r,THB:8:10:16.17.15:12.13|
C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(N2CC[C@H]2C(O)=O)c1=O |r,THB:8:10:16.17.15:12.13|
OC(=O)[C@@H]1CCN1c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1=O |r,THB:25:24:16.17.23:19.21.20|
C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(N2CC[C@H]2C(O)=O)c1=O |r,THB:8:10:17.18.16:12.14.13|
C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(N2CC(C2)C(O)=O)c1=O |r,THB:8:10:17.18.16:12.14.13|
CC12C[C@@H]3C[C@H]1C[C@H]2C[C@@H](C3)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(N2CC[C@@H]2C(O)=O)c1=O |r,THB:9:11:18.19.17:13.15.14|
CC12C[C@@H]3C[C@H]1C[C@H]2C[C@@H](C3)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(N2CC[C@H]2C(O)=O)c1=O |r,THB:9:11:18.19.17:13.15.14|
CC12C[C@@H]3C[C@H]1C[C@H]2C[C@@H](C3)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(N2CC(C2)C(O)=O)c1=O |r,THB:9:11:18.19.17:13.15.14|
C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(N2CC(CC(O)=O)C2)c1=O |r,THB:8:10:17.18.16:12.14.13|
CC12C[C@@H]3C[C@H]1C[C@H]2C[C@@H](C3)N1[C@H]2COC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(N2CC[C@H]2C(O)=O)c1=O |r,THB:9:11:18.19.17:13.15.14|
CC1(C)[C@@H]2C[C@H]1[C@H](CCN1[C@H]3CCC[C@@H]1C[C@@H](C3)n1c3ccccc3nc(N3CC[C@@H]3C(O)=O)c1=O)CC2 |r,THB:8:9:16.17.15:11.13.12|
CC1(C)[C@@H]2C[C@H]1[C@H](CCN1[C@H]3CCC[C@@H]1C[C@@H](C3)n1c3ccccc3nc(N3CC[C@H]3C(O)=O)c1=O)CC2 |r,THB:8:9:16.17.15:11.13.12|
CC1(C)[C@@H]2C[C@H]1[C@H](CCN1[C@H]3CCC[C@@H]1C[C@@H](C3)n1c3ccccc3nc(N3CC(C3)C(O)=O)c1=O)CC2 |r,THB:8:9:16.17.15:11.13.12|
OC(=O)[C@@H]1CCN1c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O |r,THB:24:23:16.17.22:19.20|
OC(=O)CC1CN(C1)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O |r,THB:25:24:17.18.23:20.21|
OC(=O)[C@H]1CCN1c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O |r,THB:25:24:16.17.23:19.21.20|
OC(=O)[C@@H]1CCN1c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O |r,THB:25:24:16.17.23:19.21.20|
N[C@@H]1CN([C@@H]1C(O)=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O |r,THB:26:25:17.18.24:20.22.21|
CN(C)[C@@H]1CN([C@@H]1C(O)=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O |r,THB:28:27:19.20.26:22.24.23|
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)N(C)[C@@H](CN)c1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCC(N)(C(=O)O)CC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)N(C)[C@H](CN)c1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCC(N)(C(=O)O)CC1
CC(C)C[C@@H](NC(=O)[C@H](CC(=O)[C@H](O)Cc1ccccc1)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCC(N)(C(=O)O)CC1
CC(C)C[C@@H](NC(=O)[C@H](CC(=O)C[C@@H](N)c1ccccc1)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCC(N)(C(=O)O)CC1
CC(C)C[C@@H](NC(=O)[C@H](CC(=O)C[C@H](N)c1ccccc1)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCC(N)(C(=O)O)CC1
CNC(=O)NC1CCN(C(=O)[C@@H](CCCCN)CC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)N(C)C(CN)c2ccccc2)CC1
CC(C)C[C@@H](NC(=O)[C@H](CC(=O)[C@H](O)Cc1ccccc1)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCS(=N)(=O)CC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)N(C)C(CN)c1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCS(=N)(=O)CC1
COC(=O)NC1CCN(C(=O)[C@@H](CCCCN)CC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](O)Cc2ccccc2)CC1
COC(=O)NC1CCN(C(=O)[C@@H](CCCCN)CC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)N(C)C(CN)c2ccccc2)CC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)N(CCN)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCC(N)(C(=O)O)CC1
COC(=O)C1(N)CCN(C(=O)[C@@H](CCCCN)CC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)N(CCN)Cc2ccccc2)CC1
COC(=O)C1(N)CCN(C(=O)[C@@H](CCCCN)CC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)N(C)C(CN)c2ccccc2)CC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)N(C)C(CN)c1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCC(N)(C(=O)OC(C)C)CC1
COC(=O)NC1CCN(C(=O)[C@@H](CCCCN)CC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)N(CCN)Cc2ccccc2)CC1
CNC(=O)NC1CCN(C(=O)[C@@H](CCCCN)CC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)N(CCN)Cc2ccccc2)CC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)N(CCN)Cc1cccnc1)C(=O)C[C@H](CCCCN)C(=O)N1CCC(N)(C(=O)O)CC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)N(CCN)Cc1cncnc1)C(=O)C[C@H](CCCCN)C(=O)N1CCC(N)(C(=O)O)CC1
CN=S1(=O)CCN(C(=O)[C@@H](CCCCN)CC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)N(CCN)Cc2ccccc2)CC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)N(CCN)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCS(=O)(=O)CC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)N(CCN)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCC2(CC1)OC(=O)Nc1ncccc12
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)N(CCN)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCC(NC(=O)OC2CCS(=O)(=O)CC2)CC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)N(CCN)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCC(NC(=O)OC2CCOCC2)CC1
CC(C)C[C@@H](NC(=O)[C@H](CC(=O)N(CCN)Cc1ccccc1)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCC2(CC1)CC(N)(C(=O)O)C2
CCS(=O)(=O)NC1CCN(C(=O)[C@@H](CCCCN)CC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(=O)N(CCN)Cc2ccccc2)Cc2ccccc2)CC1
CC(C)C[C@@H](NC(=O)[C@H](CC(=O)N(Cc1ccccc1)C1CCNC1)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCC(N)(C(=O)O)CC1
CNCCN(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)C[C@H](CCCCN)C(=O)N1CCC(N)(C(=O)O)CC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)N(CCN)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCC2(CC1)NC(=O)NC2=O
CC(C)C[C@@H](NC(=O)[C@H](CC(=O)N(C)[C@@H](CN)c1ccccc1)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)C1CCC2(CC1)CC(N)(C(=O)O)C2
COC(=O)NC1CCN(C(=O)[C@@H](CCCCN)CC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(=O)NC(CN)c2ccccc2)Cc2ccccc2)CC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)N(C)C(CN)c1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCC2(CC1)CNC(=O)c1ncccc12
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)N(C)C(CN)c1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCC(NC(=O)OC2CCOCC2)CC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)N(CCN)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCC(F)(C(=O)O)CC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)N(CCN)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCC(C#N)CC1
CC(C)C[C@@H](NC(=O)[C@H](CC(=O)N(C)C(CN)c1ccccc1)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCS(=O)(=O)CC1
CC(C)C[C@@H](NC(=O)[C@H](CC(=O)N(C)C(CN)c1ccccc1)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCOCC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)N(C)C(CN)c1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCNCC1
CC(C)C[C@@H](NC(=O)[C@H](CC(=O)N(CCN)Cc1ccccc1)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCOCC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)N(CCN)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCNCC1
COC(=O)N(CCCN)C1CCN(C(=O)[C@@H](C)CC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(=O)N(CCN)Cc2ccccc2)Cc2ccccc2)CC1
COC(=O)NC1CCN(C(=O)[C@@H](C)CC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)N(CCN)Cc2ccccc2)CC1
COC(=O)N(CCCN)C1CCN(C(=O)[C@@H](C)CC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(=O)N(C)C(CN)c2ccccc2)Cc2ccccc2)CC1
CC(=O)N(CCCN)C1CCN(C(=O)[C@@H](C)CC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(=O)N(CCN)Cc2ccccc2)Cc2ccccc2)CC1
CC(=O)NC1CCN(C(=O)[C@@H](CCCCN)CC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(=O)N(CCN)Cc2ccccc2)Cc2ccccc2)CC1
COC(=O)N1CCN(C(=O)[C@@H](CCCCN)CC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(=O)N(CCN)Cc2ccccc2)Cc2ccccc2)CC1
CC(=O)N1CCN(C(=O)[C@@H](CCCCN)CC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(=O)N(CCN)Cc2ccccc2)Cc2ccccc2)CC1
CC(C)C[C@@H](NC(=O)[C@H](CC(=O)N(CCN)CC1CC1)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCC(N)(C(=O)O)CC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)N(CCN)CC1CCCC1)C(=O)C[C@H](CCCCN)C(=O)N1CCC(N)(C(=O)O)CC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)N(CCN)Cc1ccc(F)cc1)C(=O)C[C@H](CCCCN)C(=O)N1CCC(N)(C(=O)O)CC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)N(CCN)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCN(S(C)(=O)=O)CC1
COC(=O)NC1CCN(C(=O)[C@@H](CCCCN)CC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(=O)[C@H](N)Cc2ccccc2)Cc2ccccc2)CC1
CC(C)C[C@@H](NC(=O)[C@H](CC(=O)[C@H](N)Cc1ccccc1)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCC2(CC1)c1ccccc1CC2N
CC(C)C[C@H](CC[C@H](CCCCN)C(=O)N1CCC2(CC1)Cc1cnccc1[C@H]2N)NC(=O)[C@H](CC(=O)[C@H](N)Cc1ccccc1)Cc1ccccc1
CC(C)C[C@@H](NC(=O)[C@H](CC(=O)[C@H](N)Cc1ccccc1)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCC2(CC1)OC(=O)Nc1ncccc12
CC(C)C[C@@H](NC(=O)[C@H](CC(=O)[C@H](N)Cc1ccccc1)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCC2(CC1)CNC(=O)c1ncccc12
CC(C)C[C@@H](NC(=O)[C@H](CC(=O)[C@H](N)Cc1ccccc1)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCC2(CC1)OC(=O)Nc1ncccc12
CC(C)C[C@@H](NC(=O)[C@H](CC(=O)[C@H](N)Cc1ccccc1)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCC2(CC1)CCN(C)c1ncccc12
CC(C)C[C@@H](NC(=O)[C@H](CC(=O)[C@H](N)Cc1ccccc1)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCC(NC(=O)OC2CCOCC2)CC1
CC(C)C[C@@H](NC(=O)[C@H](CC(=O)[C@H](N)Cc1ccccc1)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCC(NC(=O)OC2CCS(=O)(=O)CC2)CC1
COC(=O)N(CCCN)C1CCN(C(=O)[C@@H](C)CC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(=O)[C@H](C)Cc2ccccc2)Cc2ccccc2)CC1
COC(=O)N(CCN)C1CCN(C(=O)[C@@H](C)CC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(=O)[C@H](N)Cc2ccccc2)Cc2ccccc2)CC1
COC(=O)NC1CCN(C(=O)[C@@H](C)CC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(=O)[C@H](N)Cc2ccccc2)Cc2ccccc2)CC1
CC(C)C[C@@H](NC(=O)[C@H](CC(=O)[C@H](N)Cc1ccccc1)Cc1ccccc1)C(=O)C[C@H](CCCCN)C(=O)N1CCS(=N)(=O)CC1
CN=S1(=O)CCN(C(=O)[C@@H](CCCCN)CC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(=O)[C@H](N)Cc2ccccc2)Cc2ccccc2)CC1
CC(=O)N=S1(=O)CCN(C(=O)[C@@H](CCCCN)CC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(=O)[C@H](N)Cc2ccccc2)Cc2ccccc2)CC1
COC(=O)N=S1(=O)CCN(C(=O)[C@@H](CCCCN)CC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(=O)[C@H](N)Cc2ccccc2)Cc2ccccc2)CC1
OC(=O)CO\N=C\c1nc2ccccc2n1C1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 |r,THB:25:24:16.17.23:19.21.20|
CCOP(=O)(OCC)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C23CC4CC2CC(C3)C4)c1=O |r,TLB:28:27:32:29.30,THB:25:24:17.18.23:20.21,28:29:32:33.27.26,30:31:29.28:26|
OP(O)(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C23CC4CC2CC(C3)C4)c1=O |r,TLB:24:23:28:25.26,THB:21:20:13.14.19:16.17,24:25:28:29.23.22,26:27:25.24:22|
OP(O)(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O |r,THB:22:21:13.14.20:16.18.17|
C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(c1=O)P(O)(O)=O |r,THB:8:10:17.18.16:12.14.13|
OP(O)(=O)NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O |r,THB:25:24:16.17.23:19.21.20|
CCOP(=O)(OCC)\C=C\c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3C[C@H](C)C[C@H](C3)C2)c1=O |r,THB:28:27:19.20.26:22.24.23|
C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(\C=C\P(O)(O)=O)c1=O |r,THB:8:10:17.18.16:12.14.13|
C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(CCP(O)(O)=O)c1=O |r,THB:8:10:17.18.16:12.14.13|
CC1(C)[C@@H]2CC1[C@H](CCN1[C@H]3CCC[C@@H]1C[C@@H](C3)n1c3ccccc3nc(c1=O)P(O)(O)=O)CC2 |r,THB:8:9:16.17.15:11.13.12|
C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(c1=O)P(O)(=O)OCOC(=O)c1ccccc1 |r,THB:8:10:17.18.16:12.14.13|
NC(=N)NCCNC(=O)[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@]2(C1)CCN3CC1CC1 |r,TLB:27:26:11:21.15.14|
NC(=O)[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@]2(C1)CCN3CC1CC1 |r,TLB:21:20:5:15.9.8|
Cc1ccc(CNC(=O)[C@@H]2C[C@@]3(O)[C@H]4Cc5ccc(O)cc5[C@]3(C2)CCN4CC2CC2)cc1 |r,TLB:27:26:11:21.15.14|
CN(Cc1ccccc1)C(=O)C1=C[C@]23CC[C@]1(O)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4O |t:12,TLB:9:11:18.32:14.15|
COCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,c:6,TLB:16:24:8:22.20.21,12:11:8:22.20.21|
COCCOCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,c:9,TLB:19:27:11:25.23.24,15:14:11:25.23.24|
COCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,c:12,TLB:22:30:14:28.26.27,18:17:14:28.26.27|
COCCOCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,c:15,TLB:25:33:17:31.29.30,21:20:17:31.29.30|
COCCOCCOCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,c:18,TLB:28:36:20:34.32.33,24:23:20:34.32.33|
COCCOCCOCCOCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,c:21,TLB:31:39:23:37.35.36,27:26:23:37.35.36|
COCCOCCOCCOCCOCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,c:24,TLB:34:42:26:40.38.39,30:29:26:40.38.39|
COCCOCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,c:30,TLB:40:48:32:46.44.45,36:35:32:46.44.45|
COCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r,TLB:13:14:35.18.17:27.29.28,THB:15:14:35.18.17:27.29.28|
COCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r,TLB:16:17:38.21.20:30.32.31,THB:18:17:38.21.20:30.32.31|
COCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r,TLB:19:20:41.24.23:33.35.34,THB:21:20:41.24.23:33.35.34|
COCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r,TLB:22:23:44.27.26:36.38.37,THB:24:23:44.27.26:36.38.37|
COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r,TLB:25:26:47.30.29:39.41.40,THB:27:26:47.30.29:39.41.40|
COCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r,TLB:28:29:50.33.32:42.44.43,THB:30:29:50.33.32:42.44.43|
COCCOCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r,TLB:31:32:53.36.35:45.47.46,THB:33:32:53.36.35:45.47.46|
C[C@@H](Cc1ccsc1)NC(=O)NC[C@]1(CCc2ccccc2C1)N(C)C
C[C@@H](Cc1ccsc1)NC(=O)NC[C@@]1(CCc2ccccc2C1)N(C)C
C[C@@H](Cc1ccsc1)NC(=O)NC[C@]1(CCc2cc(O)ccc2C1)N(C)C
C[C@@H](Cc1ccsc1)NC(=O)NC[C@@]1(CCc2cc(O)ccc2C1)N(C)C
C[C@@H](Cc1ccsc1)NC(=O)NCC1(Cc2ccccc2C1)N(C)C
C[C@@H](Cc1ccsc1)NC(=O)NC[C@@]1(Cc2ccc(O)cc2C1)N(C)C
C[C@@H](Cc1ccsc1)NC(=O)NC[C@]1(Cc2ccc(O)cc2C1)N(C)C
CCC(O)[C@@H](C)[C@H]1C=CN(C=C1C(N)=O)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |c:7,10|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cc2ccccc2[nH]1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1c[nH]c2ccccc12 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cccc2[nH]ccc12 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1ccc2[nH]ccc2c1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1ccc2cc[nH]c2c1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cccc2cc[nH]c12 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)Cc1c[nH]c2ccccc12 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)CCc1c[nH]c2ccccc12 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)CCCc1c[nH]c2ccccc12 |r|
Oc1ccc2C[C@H]3N(CC[C@@]45C(Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cc2ccccc2[nH]1)C1CC1 |r|
Oc1ccc2C[C@H]3N(CC[C@@]45C(Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1c[nH]c2ccccc12)C1CC1 |r|
Oc1ccc2C[C@H]3N(CC[C@@]45C(Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccc2[nH]ccc12)C1CC1 |r|
Oc1ccc2C[C@H]3N(CC[C@@]45C(Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc2[nH]ccc2c1)C1CC1 |r|
Oc1ccc2C[C@H]3N(CC[C@@]45C(Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc2cc[nH]c2c1)C1CC1 |r|
Oc1ccc2C[C@H]3N(CC[C@@]45C(Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccc2cc[nH]c12)C1CC1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)Cc1c[nH]c2ccccc12 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)CCc1c[nH]c2ccccc12 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)CCCc1c[nH]c2ccccc12 |r|
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |c:16,TLB:13:12:1.2.3:10.9.8|
C=CCN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1C5)O)O
CN(C)C(CNC(=O)NCCc1ccsc1)Cc1ccccc1
C[C@H](Cc1ccsc1)NC(=O)NCC(Cc1ccccc1)N(C)C |r|
C[C@@H](Cc1ccsc1)NC(=O)NCC(Cc1ccccc1)N(C)C |r|
C[C@@H](Cc1ccsc1)NC(=O)N(CC=C)CC(Cc1ccccc1)N(C)C |r|
C[C@H](Cc1ccsc1)NC(=O)N(CC=C)CC(Cc1ccccc1)N(C)C |r|
CN(C)C(CNC(=O)NC(C)(C)Cc1ccsc1)Cc1ccccc1
CN(C)C(CNC(=O)NC(C)(C)Cc1ccccc1)Cc1ccccc1
CN(C)C(CNC(=O)NCCc1ccsc1)Cc1ccc(O)cc1
CN(C)C(CNC(=S)NCCc1ccsc1)Cc1ccc(O)cc1
CN(C)C(CNC(=O)OCCc1ccsc1)Cc1ccc(O)cc1
CN(C)[C@H](CN(C)C(=O)NCCc1ccccc1)Cc1ccc(O)cc1 |r|
CN(C)[C@H](CNC(=O)N(C)CCc1ccccc1)Cc1ccc(O)cc1 |r|
CN(C)[C@H](CN(C)C(=O)N(C)CCc1ccccc1)Cc1ccc(O)cc1 |r|
CC(Cc1ccsc1)NC(=O)NCC(Cc1ccc(O)cc1)N(C)C
C[C@@H](Cc1ccsc1)NC(=O)NCC(Cc1ccc(O)cc1)N(C)C |r|
CCC(Cc1ccsc1)NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C |r|
C[C@@H](Cc1ccsc1)NC(=O)NC[C@H](Cc2ccc(cc2)O)N(C)C
CC[C@@H](Cc1ccsc1)NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C |r|
CN(C)[C@H](CNC(=O)NCCc1ccccc1)Cc1ccc(O)cc1 |r|
CN(C)[C@H](CNC(=O)CCCc1ccccc1)Cc1ccc(O)cc1 |r|
CC(Cc1ccccc1)NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C |r|
C[C@@H](Cc1ccccc1)NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C |r|
CC(Cc1csc2ccccc12)NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C |r|
C[C@@H](Cc1csc2ccccc12)NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C |r|
C[C@H](NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C)c1ccccc1 |r|
C[C@H](NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C)c1ccc(C)cc1 |r|
C[C@H](NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C)c1cccc2ccccc12 |r|
CC(C)N(C[C@H](Cc1ccc(O)cc1)N(C)C)C(=O)N[C@@H](C)c1cccc2ccccc12 |r|
CN(C)[C@H](CNC(=O)NC1Cc2ccccc2C1)Cc1ccc(O)cc1 |r|
CN(C)C(CNC(=O)NC(C)(C)Cc1ccsc1)Cc1ccc(O)cc1
CN(C)C(CNC(=O)NC(C)(C)Cc1ccccc1)Cc1ccc(O)cc1
C[C@@H](Cc1ccsc1)NC(=O)NC[C@H](Cc1cccc(O)c1)N(C)C |r|
CN(C)[C@H](CNC(=O)NC(C)(C)Cc1ccsc1)Cc1cccc(O)c1 |r|
C[C@@H](Cc1ccsc1)NC(=O)NC[C@H](Cc1ccnc(O)c1)N(C)C |r|
C[C@@H](Cc1ccsc1)NC(=O)NC[C@H](Cc1ccc(O)nc1)N(C)C |r|
C[C@@H](Cc1ccsc1)NC(=O)NC[C@H](Cc1ccc(O)c(CO)c1)N(C)C |r|
CN(C)[C@H](CNC(=O)NCCc1ccsc1)Cc1c(C)cc(O)cc1C |r|
CC(Cc1ccsc1)NC(=O)NC[C@H](Cc1c(C)cc(O)cc1C)N(C)C |r|
C[C@@H](Cc1ccsc1)NC(=O)NC[C@H](Cc1c(C)cc(O)cc1C)N(C)C |r|
CN(C)[C@H](CNC(=O)NCCN1C(=O)C=CC1=O)Cc1ccc(O)cc1 |r,c:14|
CN(C)[C@H](CNC(=O)NCCCN1C(=O)C=CC1=O)Cc1ccc(O)cc1 |r,c:15|
CN(C)[C@H](CNC(=O)NCCCCN1C(=O)C=CC1=O)Cc1ccc(O)cc1 |r,c:16|
CN(C)[C@H](CNC(=O)NCCN1C(=O)C=CC1=O)Cc1c(C)cc(O)cc1C |r,c:14|
C[C@@H](CN1C(=O)C=CC1=O)NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C |r,c:6|
C[C@H](CN1C(=O)C=CC1=O)NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C |r,c:6|
CN(C)[C@H](CNC(=O)NCCc1cn(CCSSCCN=[N+]=[N-])nn1)Cc1ccc(O)cc1 |r|
CN(C)[C@H](CNC(=O)NCCc1c[nH]nn1)Cc1ccc(O)cc1 |r|
CN(C)[C@H](CNC(=O)NCCc1cn(Cc2ccccc2)nn1)Cc1ccc(O)cc1 |r|
CN(C)[C@H](CNC(=O)NCCc1cn(CCOCCN=[N+]=[N-])nn1)Cc1ccc(O)cc1 |r|
CN(CCCl)C(CNC(=O)NCCc1ccccc1)Cc1ccc(O)cc1
CN(CCO)C(CNC(=O)NCCc1ccccc1)Cc1ccc(O)cc1
CNC(CNC(=O)N[C@@H](C)Cc1ccsc1)Cc1ccc(O)cc1 |r|
C[C@@H](Cc1ccsc1)NC(=O)NCC(Cc1ccc(O)cc1)N(C)Cc1ccccc1 |r|
COc1ccccc1CCNC(=O)NCC(Cc1ccc(O)cc1)N(C)C
COc1cccc(CCNC(=O)NCC(Cc2ccc(O)cc2)N(C)C)c1
COc1ccc(CCNC(=O)NCC(Cc2ccc(O)cc2)N(C)C)cc1
CN(C)C(CNC(=O)NCCc1ccccc1F)Cc1ccc(O)cc1
CN(C)C(CNC(=O)NCCc1cccc(F)c1)Cc1ccc(O)cc1
CN(C)C(CNC(=O)NCCc1ccc(F)cc1)Cc1ccc(O)cc1
Oc1ccc(C[C@@H](CNC(=O)NCCc2ccccc2)N2CCCC2)cc1 |r|
CN(C)[C@H](CNC(=O)NCCN1C(=O)C2C3OC(C=C3)C2C1=O)Cc1ccc(O)cc1 |r,c:18|
Oc1ccc2C[C@@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O
COC(=O)C1(N)CCN(C1)C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)[C@H](C)c1ccccc1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;$|
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)[C@H](C)c1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(C1)C(O)=O |r|
COC(=O)C1(N)CCN(CC1)C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)[C@H](C)c1ccccc1 |r|
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)[C@H](C)c1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(CC1)C(O)=O |r|
CN(C)[C@H](CNC(=O)C[C@@H](c1ccccc1)C1(CC1)C(F)(F)F)Cc1c(C)cc(cc1C)C(N)=O |r|
CN(C)[C@H](CNC(=O)C[C@H](c1ccccc1)C1(CC1)C(F)(F)F)Cc1c(C)cc(cc1C)C(N)=O |r|
CC(C)C[C@@H](CC(=O)NC[C@H](Cc1c(C)cc(cc1C)C(N)=O)N(C)C)c1ccccc1 |r|
CC(C)[C@@H](CC(=O)NC[C@H](Cc1c(C)cc(cc1C)C(N)=O)N(C)C)c1ccccc1 |r|
CN(C)[C@H](CNC(=O)C[C@H](C1CC1)c1ccccc1)Cc1c(C)cc(cc1C)C(N)=O |r|
CC(C)C[C@H](CC(=O)NC[C@H](Cc1c(C)cc(cc1C)C(N)=O)N(C)C)c1ccccc1 |r|
CN(C)[C@H](CNC(=O)C[C@H](c1ccccc1)C(C)(C)C)Cc1c(C)cc(cc1C)C(N)=O |r|
C[C@H](CC(=O)NC[C@H](Cc1ccc(cc1Cl)C(N)=O)N(C)C)c1ccccc1 |r|
C[C@@H](CC(=O)NC[C@H](Cc1ccc(cc1Cl)C(N)=O)N(C)C)c1ccccc1 |r|
CN(C)[C@H](CNC(=O)C[C@H](c1ccc(C)nc1)C1(CC1)C(F)(F)F)Cc1ccc(C(N)=O)c(F)c1Cl |r|
CN(C)[C@H](CNC(=O)C[C@H](c1cnc(C)nc1)C1(CC1)C(F)(F)F)Cc1ccc(C(N)=O)c(F)c1Cl |r|
CN(C)[C@H](CNC(=O)C[C@H](c1ccccc1)C1(CC1)C(F)(F)F)Cc1ccc(cc1Cl)C(N)=O |r|
CC(C)[C@@H](CC(=O)NC[C@H](Cc1ccc(cc1Cl)C(N)=O)N(C)C)c1ccccc1 |r|
CN(C)[C@H](CNC(=O)C[C@H](c1cnc(C)nc1)C1(CC1)C(F)(F)F)Cc1ccc(C(N)=O)c(F)c1 |r|
CN(C)[C@H](CNC(=O)C[C@H](c1ccccc1)C1(CC1)C(F)(F)F)Cc1ccc(C(N)=O)c(F)c1 |r|
CN(C)[C@H](CNC(=O)C[C@H](c1ccc(Cl)c(Cl)c1)C1(CC1)C(F)(F)F)Cc1ccc(cc1)C(N)=O |r|
CN(C)[C@H](CNC(=O)C[C@H](c1ccc(Cl)cn1)C1(CC1)C(F)(F)F)Cc1ccc(cc1)C(N)=O |r|
CN(C)[C@H](CNC(=O)C[C@@H](c1ccccc1)C1(CC1)C(F)(F)F)Cc1ccc(cc1)C(N)=O |r|
CN(C)[C@H](CNC(=O)CC(c1ccccc1)C1(CC1)C(F)(F)F)Cc1ccc(cc1)C(N)=O |r|
CN(C)[C@H](CNC(=O)C[C@H](CC1CCC1)c1ccccc1)Cc1ccc(cc1)C(N)=O |r|
CC(C)C[C@@H](CC(=O)NC[C@H](Cc1ccc(cc1)C(N)=O)N(C)C)c1ccccc1 |r|
CC(C)[C@@H](CC(=O)NC[C@H](Cc1ccc(cc1)C(N)=O)N(C)C)c1ccccc1 |r|
CN(C)[C@H](CNC(=O)C[C@@H](c1ccccc1)C(C)(C)C)Cc1ccc(cc1)C(N)=O |r|
CC(C)[C@H](CC(=O)NC[C@H](Cc1ccc(cc1)C(N)=O)N(C)C)c1ccccc1 |r|
CC(C)C[C@H](CC(=O)NC[C@H](Cc1ccc(cc1)C(N)=O)N(C)C)c1ccccc1 |r|
CN(C)[C@H](CNC(=O)C[C@H](C1CC1)c1ccccc1)Cc1ccc(cc1)C(N)=O |r|
CN(C)[C@H](CNC(=O)CC(c1ccccc1)C(C)(C)C)Cc1ccc(C(=O)NCC(F)(F)F)c(F)c1 |r|
CNC(=O)c1cc(F)c(C[C@@H](CNC(=O)C[C@H](c2ccccc2)C(C)(C)C)N(C)C)cc1F |r|
CNC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2cc(F)cc(F)c2)C2(CC2)C(F)(F)F)N(C)C)c(C)c1 |r|
CNC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2ccc(Cl)cc2)C2(CC2)C(F)(F)F)N(C)C)c(C)c1 |r|
CNC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2ccccc2)C2(CC2)C(F)(F)F)N(C)C)c(C)c1 |r|
CNC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](C)c2ccccc2)N(C)C)c(C)c1 |r|
CNC(=O)c1cc(C)c(C[C@@H](CNC(=O)C[C@@H](c2ccccc2)C(C)(C)C)N(C)C)cc1F |r|
CNC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](CC(C)C)c2ccccc2)N(C)C)cc1Cl |r|
CNC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](C(C)C)c2ccccc2)N(C)C)cc1Cl |r|
CNC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](C)c2ccccc2)N(C)C)cc1Cl |r|
CNC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2ccccc2)C(C)(C)C)N(C)C)cc1Cl |r|
CNC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](C)c2ccc(Cl)cn2)N(C)C)cc1F |r|
CNC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](C)c2ccc(Cl)cn2)N(C)C)cc1F |r|
CNC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2ccccc2)C(C)(C)C)N2CCCC2)cc1F |r|
CNC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2ccccc2)C(C)(C)C)N(C)C)cc1F |r|
CNC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](c2ccccc2)C(C)(C)C)N(C)C)cc1F |r|
CNC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](CC(C)C)c2ccccc2)N(C)C)cc1F |r|
CNC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](C)c2ccccc2)NC(=O)OC(C)(C)C)cc1F |r|
CNC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](C(C)C)c2ccccc2)N(C)C)cc1F |r|
CNC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](C)c2ccccn2)N(C)C)cc1F |r|
CNC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](C)c2ccccc2)N2CCCC2)cc1F |r|
CNC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](CCC=C)c2ccccc2)N(C)C)cc1F |r|
CNC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](C)c2ccccc2)N(C)C)cc1F |r|
CNC(=O)c1ccc2C[C@@H](CNC(=O)C[C@H](c3ccccc3)C(C)(C)C)N(C)Cc2c1 |r|
C[C@@H](CC(=O)NC[C@H](C(C)c1ccc2n(COCC[Si](C)(C)C)c(=O)oc2c1)N(C)C)c1ccccc1 |r|
CC(C)C[C@@H](CC(=O)NC[C@H](Cc1ccc2n(COCC[Si](C)(C)C)c(=O)oc2c1)N(C)C)c1ccccc1 |r|
CC(C)[C@@H](CC(=O)NC[C@H](Cc1ccc2[nH]c(=O)oc2c1)N(C)C)c1ccccc1 |r|
CCCC[C@@H](CC(=O)NC[C@H](Cc1ccc2[nH]c(=O)oc2c1)N(C)C)c1ccccc1 |r|
CN(C)[C@H](CNC(=O)C[C@@H](C1CC1)c1ccccc1)Cc1ccc2[nH]c(=O)oc2c1 |r|
CN(C)[C@H](CNC(=O)C[C@H](C1CC1)c1ccccc1)Cc1ccc2[nH]c(=O)oc2c1 |r|
C[C@@H](CC(=O)NC[C@H](Cc1ccc2NC(=O)Cc2c1C)N(C)C)c1ccccc1 |r|
CC(C)[C@@H](CC(=O)NC[C@H](Cc1ccc2NC(=O)Cc2c1)N(C)C)c1ccccc1 |r|
CC(C)C[C@@H](CC(=O)NC[C@H](Cc1ccc2NC(=O)Cc2c1)N(C)C)c1ccccc1 |r|
CN(C)[C@H](CNC(=O)C[C@H](C1CC1)c1ccccc1)Cc1ccc2NC(=O)Cc2c1 |r|
C[C@@H](CC(=O)NC[C@H](Cc1ccc2NC(=O)COc2c1)N(C)C)c1ccccc1 |r|
C[C@H](CC(=O)NC[C@H](Cc1ccc2n(ncc2c1Cl)S(=O)(=O)c1ccc(C)cc1)N(C)C)c1ccccc1 |r|
C[C@@H](CC(=O)NC[C@H](Cc1ccc2n(ncc2c1Cl)S(=O)(=O)c1ccc(C)cc1)N(C)C)c1ccccc1 |r|
C[C@@H](CC(=O)NC[C@H](Cc1ccc2n(ncc2c1C)S(=O)(=O)c1ccc(C)cc1)N(C)C)c1ccccc1 |r|
CC(C)C[C@@H](CC(=O)NC[C@H](Cc1ccc2n(ncc2c1)S(=O)(=O)c1ccc(C)cc1)N(C)C)c1ccccc1 |r|
C[C@H](CC(=O)NC[C@H](Cc1ccc2n(ncc2c1)S(=O)(=O)c1ccc(C)cc1)N(C)C)c1cccc(F)c1 |r|
C[C@@H](CC(=O)NC[C@H](Cc1ccc2n(ncc2c1)S(=O)(=O)c1ccc(C)cc1)N(C)C)c1ccccn1 |r|
C[C@@H](CC(=O)NC[C@H](Cc1ccc2n(ncc2c1)S(=O)(=O)c1ccc(C)cc1)N(C)C)c1ccc(C)cc1 |r|
C[C@@H](CC(=O)NC[C@H](Cc1ccc2n(ncc2c1)S(=O)(=O)c1ccc(C)cc1)N(C)C)c1ccc(F)cc1 |r|
CC(C)[C@@H](CC(=O)NC[C@H](Cc1ccc2n(ncc2c1)S(=O)(=O)c1ccc(C)cc1)N(C)C)c1ccccc1 |r|
C[C@@H](CC(=O)NC[C@H](Cc1ccc2n(ncc2c1)S(=O)(=O)c1ccc(C)cc1)N(C)C)c1ccc(Cl)cc1 |r|
CN(C)[C@H](CNC(=O)CC(C)(C)c1ccccc1)Cc1ccc2n(ncc2c1)S(=O)(=O)c1ccc(C)cc1 |r|
C[C@@H](CC(=O)NC[C@H](Cc1ccc2n(ncc2c1)S(=O)(=O)c1ccc(C)cc1)N1CCCC1)c1ccccc1 |r|
CN(C)[C@H](CNC(=O)C[C@H](CCC=C)c1ccccc1)Cc1ccc2n(ncc2c1)S(=O)(=O)c1ccc(C)cc1 |r|
C[C@@H](CC(=O)NC[C@H](Cc1ccc2n(ncc2c1)S(=O)(=O)c1ccc(C)cc1)N1CCCCC1)c1ccccc1 |r|
CC(C)N(C)[C@H](CNC(=O)C[C@H](C)c1ccccc1)Cc1ccc2n(ncc2c1)S(=O)(=O)c1ccc(C)cc1 |r|
CN(C)[C@H](CNC(=O)C[C@H](C1CC1)c1ccccc1)Cc1ccc2n(ncc2c1)S(=O)(=O)c1ccc(C)cc1 |r|
CN(C)[C@H](CNC(=O)C[C@@H](C1CC1)c1ccccc1)Cc1ccc2n(ncc2c1)S(=O)(=O)c1ccc(C)cc1 |r|
C[C@@H](CC(=O)NC[C@H](Cc1cc2cnn(c2cc1Cl)S(=O)(=O)c1ccc(C)cc1)N(C)C)c1ccccc1 |r|
CN(C)[C@H](CNC(=O)C[C@@H](C1CC1)c1ccc(Cl)cc1)Cc1c(C)cc(O)cc1C |r|
CN(C)[C@H](CNC(=O)C[C@@H](C1CC1)c1ccccc1)Cc1ccc(O)cc1Cl |r|
C[C@@H](CC(=O)NC[C@H](Cc1ccc(OC(C)=O)c(Cl)c1)N(C)C)c1ccccc1 |r|
C[C@@H](CC(=O)NC[C@H](Cc1ccc(O)c(Cl)c1)N(C)C)c1ccccc1 |r|
CN(C)[C@H](CNC(=O)C[C@H](C1CC1)c1ccccc1)Cc1ccc(O)cc1 |r|
CN(C)[C@H](CNC(=O)C[C@@H](C1CC1)c1ccccc1)Cc1ccc(O)cc1 |r|
CN1Cc2cc(O)ccc2C[C@H]1CNC(=O)C[C@H](c1ccccc1)C(C)(C)C |r|
CC(C)C[C@H](CC(=O)NC[C@H](Cc1ccc(Br)cc1Cl)N(C)C)c1ccccc1 |r|
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(CC1)B(O)O |r|
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CC[C@H](C1)B(O)O |r|
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CC=C(C1)B(O)O |r,c:43|
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC=C(C1)B(O)O |r,$;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,c:44|
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC2(CC(C2)B(O)O)CC1 |r|
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(CC1)B(O)O |r|
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC[C@H]1B(O)O |r|
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCCC[C@H]1B(O)O |r|
COCCOCCNCCCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N1CC[C@H](C1)B(O)O |r|
CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(C1)B(O)O |r,$;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H]2[C@](C)(CC[C@@H]3OC(C)(C)[C@@H](CC[C@@]23C)OC(C)=O)[C@H]1[C@@](C)(O)CC[C@]1(C)OC(C)(C)[C@H]2CC[C@]1(C)O2 |r|
CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r|
Cc1cc(OC2CC2)cnc1N1C[C@]2(CC[C@](c3cc(F)cc(F)c3)(N(C)C)CC2)NC1=O
COc1ncc(N2C[C@]3(CC[C@](c4cc(F)cc(F)c4)(N(C)C)CC3)NC2=O)c(C)n1
Cc1cc(C(C)(C)O)cnc1N1C[C@]2(CC[C@](c3cc(F)cc(F)c3)(N(C)C)CC2)NC1=O
Cc1cc(OC(F)F)cnc1N1C[C@]2(CC[C@](c3cc(F)cc(F)c3)(N(C)C)CC2)NC1=O
Cc1c(N2C[C@]3(CC[C@](c4cc(F)cc(F)c4)(N(C)C)CC3)NC2=O)ncc2[nH]ccc12
CN[C@]1(c2cc(F)cc(F)c2)CC[C@]2(CC1)CN(c1ncc(C(C)(C)O)cc1C)C(=O)N2
Cc1cc(OC(F)(F)F)cnc1N1C[C@]2(CC[C@](c3cc(F)cc(F)c3)(N(C)C)CC2)NC1=O
Cc1cc(OC(F)(F)F)nnc1N1C[C@]2(CC[C@](c3cc(F)cc(F)c3)(N(C)C)CC2)NC1=O
Cc1cc(OC2CC(C)(O)C2)cnc1N1C[C@]2(CC[C@](c3cc(F)cc(F)c3)(N(C)C)CC2)NC1=O
Cc1cc(S(C)(=O)=O)cnc1N1C[C@]2(CC[C@](c3cc(F)cc(F)c3)(N(C)C)CC2)NC1=O
CCS(=O)(=O)c1cnc(N2C[C@]3(CC[C@](c4cc(F)cc(F)c4)(N(C)C)CC3)NC2=O)c(C)c1
Cc1nc(C(F)(F)F)ccc1N1C[C@]2(CC[C@](c3cc(F)cc(F)c3)(N(C)C)CC2)NC1=O
Cc1ccc(N2C[C@]3(CC[C@](c4cc(F)cc(F)c4)(N(C)C)CC3)NC2=O)c(C)n1
Cc1nc(OC(F)(F)F)ccc1N1C[C@]2(CC[C@](c3cc(F)cc(F)c3)(N(C)C)CC2)NC1=O
Cc1nc(OC2COC2)ncc1N1C[C@]2(CC[C@](c3cc(F)cc(F)c3)(N(C)C)CC2)NC1=O
COCCOc1ncc(N2C[C@]3(CC[C@](c4cc(F)cc(F)c4)(N(C)C)CC3)NC2=O)c(C)n1
Cc1nc(S(C)(=O)=O)ccc1N1C[C@]2(CC[C@](c3cc(F)cc(F)c3)(N(C)C)CC2)NC1=O
Cc1nc(OC2CC2)ncc1N1C[C@]2(CC[C@](c3cc(F)cc(F)c3)(N(C)C)CC2)NC1=O
Cc1c(N2C[C@]3(CC[C@](c4cc(F)cc(F)c4)(N(C)C)CC3)NC2=O)ccn(C)c1=O
Cc1nc(C(C)(C)O)cnc1N1C[C@]2(CC[C@](c3cc(F)cc(F)c3)(N(C)C)CC2)NC1=O
Cc1nc(C2(F)COC2)ncc1N1C[C@]2(CC[C@](c3cc(F)cc(F)c3)(N(C)C)CC2)NC1=O
Cc1nc(C(C)(C)O)ncc1N1C[C@]2(CC[C@](c3cc(F)cc(F)c3)(N(C)C)CC2)NC1=O
Cn1c(N2C[C@]3(CC[C@](c4cc(F)cc(F)c4)(N(C)C)CC3)NC2=O)ccc(OC(C)(F)F)c1=O
Cc1cc(C(C)(O)C(F)(F)F)cnc1N1C[C@]2(CC[C@](c3cc(F)cc(F)c3)(N(C)C)CC2)NC1=O
CN[C@]1(c2cc(F)cc(F)c2)CC[C@]2(CC1)CN(c1ncc(OC3CC3)cc1C)C(=O)N2
Cc1cc(OCC(F)F)cnc1N1C[C@]2(CC[C@](c3cc(F)cc(F)c3)(N(C)C)CC2)NC1=O
Cc1c(OCC(F)F)nnc(N2C[C@]3(CC[C@](c4cc(F)cc(F)c4)(N(C)C)CC3)NC2=O)c1C
Cc1cc(OC(F)F)cnc1N1C[C@]2(CC[C@](c3cc(F)cc(F)c3)(N(C)C)CC2)NC1=O
COc1cc(CC(C)N)c(OC)cc1Br
COc1cc(cc(c1OC)OC)CCN
COc1cc(CCN)c(OC)cc1Br
CN(C)CCc1c[nH]c2c1c(ccc2)O
CCc1cc(OC)c(CCN)cc1OC
CCSc1cc(OC)c(CCN)cc1OC
CCSc1cc(OC)c(CC(C)N)cc1OC
CCOc1cc(OC)c(CC(C)N)cc1OC
COc1ccc2[nH]cc(CCN(C)C(C)C)c2c1
CC(C)N(CCc1c[nH]c2ccccc12)C(C)C
COc1ccc2[nH]cc(CCN(C(C)C)C(C)C)c2c1
CCCN(CCC)CCc1c[nH]c2ccccc12
CCSc1cc(OC)c(CC(N)CC)cc1OC
CN(C)CCc1c[nH]c2cc(F)ccc12
NCCc1c2CCOc2c(Br)c2CCOc12
COc1cc(CC(C)N)c(OC)cc1C
COc1cc(CC(C)N)cc(OC)c1OC
CCc1cc(OC)c(CC(C)N)cc1OC
CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C
C[C@@H]1C[C@H](C)N1C(=O)C1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
C[C@@H]1C[C@@H](C)N1C(=O)C1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
C[C@@H]1C[C@@H](C)N1C(=O)C1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
COc1ccc2[nH]c(C)c(CCN(C)C)c2c1
CCc1[nH]c2ccc(OC)cc2c1CCN(C)C
CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1[N@](C2)CCc4c3[nH]c5c4cc(cc5)OC
c1ccc2c(c1)c3c([nH]2)[C@H]4[C@@]56CCN([C@@H]([C@@]5(C3)O)Cc7c6c(c(cc7)O)O4)CC8CC8
CC(C)C[C@@H](CC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)NCc1ccc2c(c1)OCO2
COCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1
COCCN(CCOC)C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1
COCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1
COCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)NCc1cccc(C(=O)O)n1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)NCc1ccc(C(=O)O)nc1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)NCc1ccnc(C(=O)O)c1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)NCc1cc[nH]c(=O)c1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)NCc1ccc(O)c(O)c1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)NCc1ccncc1O
COC(=O)[C@@H](N)CNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)NC[C@H](N)C(=O)O
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCNC(=O)C1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCOCCOCCOCC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(NC(=O)C(=O)N(C)C)CC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)NC1CCN(C(=O)C(=O)N(C)C)CC1
COC(=O)/C=C/C(=O)N1CCC(NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccccc2)CC1
COC(=O)/C=C/C(=O)NC1CCN(C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccccc2)CC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(NC(=O)/C=C/C(=O)O)CC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(NC(=O)C(=O)NC2CC2)CC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1
COC(=O)/C=C/C(=O)N1CCN(C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccccc2)CC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCN(C(=O)/C=C/C(=O)O)CC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCN(C(=O)C(=O)N(C)C)CC1
CNC(=O)C(=O)N1CCN(C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccccc2)CC1
CNC(=O)C(=O)NC1CCN(C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccccc2)CC1
COC(=O)C(=O)NC1CCN(C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccccc2)CC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(NC(=O)C(=O)O)CC1
CCOC(=O)C(=O)NC1CCN(C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccccc2)CC1
CCC(=O)C(=O)N1CCC(NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccccc2)CC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(NC(=O)C(N)=O)CC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)NC1CCN(C(=O)C(N)=O)CC1
CCNC(=O)C(=O)NC1CCN(C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccccc2)CC1
CCNC(=O)C(=O)N1CCC(NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccccc2)CC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)NC1CCN(C(=O)C(=O)NC2CC2)CC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(NC(=O)N[C@H](N)C(N)=O)CC1
CCOC(=O)C(N)C(=O)NC1CCN(C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccccc2)CC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(NC(=O)C(N)C(=O)O)CC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(NC(=O)CC[C@H](N)C(N)=O)CC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(NC(=O)[C@@H](N)CC(N)=O)CC1
CCNC(=O)C(=O)N1CCN(C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccccc2)CC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)NCCC[C@H](N)C(=O)O
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)NCC1=NCC(=O)N1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC2(CC1)CNC(=O)N2
CCOC(=O)N1CCN(C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccccc2)CC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)Cc1ccccc1)C(=O)N[C@H](CCCCNC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)NC2CC2)CC1
CCCN(C(=O)OC)C1CCN(C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccccc2)CC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)NCCOCCO
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCO
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)c1ccncc1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@H](CCCCN)C(=O)N3CCC(CC(=O)/C=C/C(=O)NC(N)=O)CC3
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(CC(=O)CNC(N)=O)CC1
CC(=O)N[C@@H](CCC(N)=O)C(=O)CC1CCN(C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccccc2)CC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(CC(=O)C(N)=O)CC1
CNC(=O)N1CCN(C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccccc2)CC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCN(C(=O)N(C)C)CC1
CCC(=O)CC1CCN(C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccccc2)CC1
COC(=O)C1(NC(=O)OC(C)(C)C)CCN(C(=O)[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Cc2ccccc2)C1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CC(=O)NC(=O)C1
CCNC(=O)N1CCN(C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccccc2)CC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(O)(CO)CC1
COC(=O)C1(N)CCN(C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccccc2)CC1
COC(=O)C1(N)CCN(C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccccc2)C1
CCOC(=O)C1(N)CCN(C(=O)[C@@H](CCCCN)NC(=O)[C@H](CC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccccc2)CC(C)C)C1
CC(C)C[C@@H](CC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(C(=O)OC2CC2)C1
COCCOC(=O)C1(N)CCN(C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccccc2)C1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(C(=O)OCCO)C1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(C(=O)OCCN)C1
CNCCOC(=O)C1(N)CCN(C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccccc2)C1
COC(=O)C1(N)CCN(C(=O)CCC(=O)[C@@H](CCCCN)NC(=O)[C@H](CC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccccc2)CC(C)C)CC1
CC(C)C[C@@H](CC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)CCC(=O)N1CCC(N)(C(=O)O)CC1
COC(=O)C1(NC(N)=O)CCN(C(=O)[C@@H](CCCCN)NC(=O)[C@H](CC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccccc2)CC(C)C)CC1
CC(C)C[C@@H](CC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC2(CC1)NC(=O)NC2=O
CCCC[C@@H](CC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](Cc1cnc(N)nc1)C(=O)N1CCC(N)(C(=O)OC)CC1
CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](Cc1cnc(N)nc1)C(=O)N1CCC(N)(C(=O)OC)C1
COC(=O)C1(N)CCN(C(=O)[C@@H](CCCCN)NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccccc2)CC1
COC(=O)C1(N)CCN(C(=O)[C@@H](CCCCN)NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccccc2)C1
COC(=O)C1(N)CCN(C(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccccc2)C(C)(C)C)CC1
COC(=O)C1(N)CCN(C(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccccc2)C(C)(C)C)C1
COC(=O)C1(N)CCN(C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC2CC2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccccc2)CC1
COC(=O)C1(N)CCN(C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC2CC2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccccc2)C1
COC(=O)C1(N)CCN(C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CC2CC2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccccc2)CC1
N/N=C(/N)NCCC[C@@H](NC(=O)[C@@H](CC1CC1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCC(N)(C(=O)O)CC1
COC(=O)C1(N)CCN(C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CC2CC2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccccc2)C1
COC(=O)C1(N)CCN(C(=O)[C@@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@H](N)Cc2ccccc2)CC1
COC(=O)C1(N)CCN(C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@H](N)Cc2ccccc2)C1
COC(=O)C1(N)CCN(C(=O)[C@@H](CCCCN)NC(=O)C(CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(N)Cc3ccccc3C2)C1
COC(=O)C1(N)CCN(C(=O)[C@@H](CCCCN)NC(=O)C(CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(N)Cc3ccccc3C2)CC1
CC(C)CC(NC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(N)Cc2ccccc2C1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(C(=O)O)CC1
COC(=O)C1(N)CCN(C(=O)[C@@H](CCCCN)NC(=O)[C@H](CC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC(C)C)C1
COC(=O)C1(N)CCN(C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(C(=O)O)CC1
COC(=O)C1(N)CCN(C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccc(F)cc2)C1
COC(=O)C1(N)CCN(C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccc(F)cc2)CC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccc(F)cc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(C(=O)O)CC1
COC(=O)C1(N)CCN(C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccc(C(F)(F)F)cc2)C1
COc4ccc(CCN3CCC(N(C(=O)C1CC=CO1)c2ccccc2)CC3)cc4
O=C(C1CC=CO1)N(c2ccccc2)C4CCN(CCC3=CC(F)CC=C3)CC4
COc1ccccc1CCN4CCC(N(C(=O)C2CC=CO2)c3ccccc3)CC4
CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3
COC4C=C(CCN3CCC(N(C(=O)C1CC=CO1)c2ccccc2)CC3)C=CC4
CSCC[C@@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@H](CC(O)=O)C(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(N)=O
CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
CCCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(N)=O
CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
CSCC[C@@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@H](CC(O)=O)C(N)=O
CN1CCC2(CCCC1[C@@H]2O)c1cccc(O)c1 |THB:10:9:1.3.2:5.7.6,0:1:9:5.7.6|
C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1 |TLB:10:9:1:5.3.4,THB:0:1:9.7.8:5.3.4|
CN1CCC2(CCCC1C2)c1cccc(O)c1 |THB:0:1:9:5.7.6|
CN1CCC2(CCCC1[C@H]2O)c1cccc(O)c1 |THB:10:9:1.3.2:5.7.6,0:1:9:5.7.6|
CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H]1C(O)=O
CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2cccc(O)c2)C(=O)N[C@@H]1C(O)=O
Cc1ccc(C[C@@H]2NC(=O)[C@H](CSSC(C)(C)[C@H](NC2=O)C(O)=O)NC(=O)[C@@H](N)Cc2ccc(O)cc2)cc1
C[C@@H]([C@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C)c1ccc(O)cc1
Cc1cc(O)ccc1C[C@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C
CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)c(I)c2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
C[C@H]([C@@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C)c1ccc(O)cc1
CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@]2(N)CCC3CC(=O)C=CC3C2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O |c:20|
COc1cc(C[C@H](N)C(=O)N[C@H]2C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC2(C)C)ccc1O
CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)c(c2)[N+]([O-])=O)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)c(N)c2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
C[C@@H]([C@@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C)c1ccc(O)cc1
C[C@H]([C@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C)c1ccc(O)cc1
Cc1cc(O)ccc1C[C@@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CN([C@@H]1CCCC[C@H]1N2CCCC2)C(=O)Cc3ccc(c(c3)Cl)Cl
COc1cccc2[C@@H]([C@H](CCc12)N1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
CN([C@@H]1[C@H](CCc2ccccc12)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CC(C)C)C(O)=O |TLB:39:40:44:37.38.43,THB:41:40:37:44.42.43,41:42:37:45.40.39,39:38:44:45.40.41|
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CC(C)[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](CCC(=O)NCCCC[C@H](NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C1(Cc2ccccc2C1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CC(C)[C@@H]1NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCCNC(=O)CC[C@@H](NC(=O)[C@H](NC1=O)C(C)C)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(C)C)C(=O)NCC(N)=O
CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C1(CCc2ccccc2C1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(N)=O
CC(C)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(=O)NCCC[C@@H](NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C
Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2cc(ccc2c1CC35O)N=C=S |TLB:30:29:18.4.5:7.13.12,THB:17:18:29:7.13.12|
Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2ccc(cc2c1CC35O)N=C=S |TLB:30:29:18.4.5:7.13.12,THB:8:7:29:18.4.5,17:18:29:7.13.12|
Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2c(cccc2c1CC35O)N=C=S |TLB:30:29:18.4.5:7.13.12,THB:17:18:29:7.13.12|
Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2cccc(N=C=S)c2c1CC35O |TLB:33:32:18.4.5:7.13.12,THB:17:18:32:7.13.12|
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(I)cc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Cc1cc(O)cc(C)c1CC(N)C(=O)N[C@@H](COCCCc1ccccc1)COC(C)(C)C
C[C@H](COCCCc1ccccc1)NC(=O)C(N)Cc1c(C)cc(O)cc1C
Cc1cc(O)cc(C)c1CC(N)C(=O)N[C@H](CO)COCCCc1ccccc1
Cc1cc(O)cc(C)c1CC(N)C(=O)N1CCCCC1CNCCCc1ccccc1
C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCCCc1ccccc1
Cc1cc(O)cc(C)c1CC(N)C(=O)N1CCCCC1COCCCc1ccccc1
C[C@H](CNCCCc1ccccc1)NC(=O)C(N)Cc1c(C)cc(O)cc1C
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5C(C)=O |c:16|
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5-c1ccoc1 |c:16|
CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C(C1CCCCC1)c1ccccc1 |r|
CC(C)C(C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1)c1ccccc1 |r|
[H][C@]12CN(CCc3ccccc3)CCC1N(C(=O)CC)c1ccccc1OC2 |r|
[H][C@@]12CN(CCc3ccccc3)CCC1N(C(=O)CC)c1ccccc1OC2 |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)=O)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
[H][C@]12Oc3c4c(C[C@]5([H])C([C@H](C[C@@H]1O)SSc1ccc(cn1)[N+]([O-])=O)[C@]24CCN5C)ccc3O |TLB:29:28:9:4.5.6|
CN1CC[C@@]23[C@H]4Oc5c2c(CC1C3CC[C@H]4SSc1ccc(cn1)[N+]([O-])=O)ccc5O |TLB:7:8:12:1.3.2,27:9:12:1.3.2|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)CSSCC(=O)N[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O
C[C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)CSSCC(=O)N[C@]12CCC(=O)[C@]4(C)Oc5c6c(C[C@H]1N(CC1CC1)CC[C@@]246)ccc5O)ccc3O
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(CCC4=O)NC(=O)CSSCC(=O)N[C@]12CCC(=O)[C@@H]3Oc4c6c(C[C@H]1N(C)CC[C@@]236)ccc4O)ccc5O
CN1CC[C@]23c4c5O[C@@]2(C)C(=O)CC[C@@]3(NC(=O)CSSCC(=O)N[C@]23CCC(=O)[C@]6(C)Oc7c8c(CC2N(C)CC[C@@]368)ccc7O)C1Cc4ccc5O |TLB:50:49:14:1.3.2,6:5:14:1.3.2,THB:43:35:25:38.41.40,33:34:25:38.41.40|
COc1cccc2C[C@H]3N(C)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |r|
COc1cccc2CC3N(CCc4ccccc4)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |r,TLB:5:6:26:9.19.18,2:29:26:9.19.18|
COc1cccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |r|
COC12C=CC34C[C@@]1(C)C(=N[C@H]2C31CCN(C)C4Cc2ccc(O)cc12)c1ccccc1 |c:3,10,TLB:24:25:5:15.13.14,26:9:2:12.5.6,16:15:5:25.19.18,THB:4:5:25.19.18:15.13.14|
COC12C=CC34C[C@@]1(C)[C@@H](N[C@H]2C31CCN(C)C4Cc2ccc(O)cc12)c1ccccc1 |c:3,TLB:24:25:5:15.13.14,26:9:2:12.5.6,16:15:5:25.19.18,THB:4:5:25.19.18:15.13.14|
CCOc1ccc(cc1)C1=N[C@@H]2[C@@]3(OC)C=C[C@@]4(C[C@@]13C)C1Cc3ccc(OC)c(O)c3C24CCN1C |c:16,t:10,TLB:6:9:12:32.17.18,20:19:32.11:16.15,9:19:32.11:16.15,16:17:31.23.22:35.33.34,36:35:17:31.23.22,29:31:17:35.33.34|
CO[C@]12C=C[C@]34C[C@@]1(C)[C@@H](N(C)[C@H]2C31CCN(C)C4Cc2ccc(O)cc12)c1ccccc1 |c:3,TLB:25:26:5:16.14.15,8:7:13.12:3.4,9:7:13.12:3.4,11:10:2:13.5.6,17:16:5:26.20.19,THB:4:5:26.20.19:16.14.15|
COc1ccc2CC3N(C)CCC4([C@@H]5N=C(c6ccccc6)[C@]6(C)CC34C=CC56OC)c2c1O |c:29,t:14,TLB:9:8:25:31.5.6,THB:16:15:28:12.25.24,26:25:31.5.6:8.11.10,32:31:25:8.11.10|
[H][C@@]12N=C(c3ccccc3)[C@]3(C)C[C@]4(C=C[C@]13OC)[C@@]1([H])Cc3ccc(OC)c(OC)c3[C@@]24CC[N+]1(C)C
Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)CSSCC(=O)N[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC1CCC1)CC[C@@]235)ccc4O
Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C(Cl)=C |TLB:24:23:18.4.5:7.13.12,THB:8:7:23:18.4.5,17:18:23:7.13.12|
CN1CCC23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)NC(=O)C(Cl)=C)ccc5O |TLB:17:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
CN1CCC23[C@H]4Oc5c2c(CC1C3CC[C@H]4NC(=O)C(Cl)=C)ccc5O |THB:7:8:12:1.3.2,0:1:12:8.9.10|
Oc1ccc2CC3C4CC[C@@H](NC(=O)C(Cl)=C)[C@@H]5Oc1c2C45CCN3CC1CC1 |TLB:25:24:7:20.4.5,19:20:7:24.22.23|
Cc1ccc(\C=C\C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H]2C3(CCN4CC2CC2)c56)cc1 |TLB:29:28:13:33.17.16|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccccc1 |r|
COC(=O)\C=C\C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccc(Cl)cc1 |THB:8:7:22:18.4.5|
Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O |THB:8:7:22:18.4.5|
CN([C@@H](CN1CCCC1)c1cccc(NC(C)=O)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
CN([C@H](CN1CCCC1)c1cccc(NC(C)=O)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
CN([C@H](CN1CCCC1)c1cccc(N)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
CN(C(CN1CCCC1)c1cccc(NC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 |(8.59,-17.5,;8.59,-15.95,;9.92,-15.18,;11.25,-15.95,;12.59,-15.17,;12.75,-13.63,;14.26,-13.31,;15.03,-14.64,;14.01,-15.79,;9.92,-13.64,;8.59,-12.88,;8.58,-11.34,;9.92,-10.55,;11.25,-11.32,;12.59,-10.55,;12.59,-9.01,;11.25,-8.24,;13.92,-8.24,;13.92,-6.69,;12.59,-5.94,;12.58,-4.4,;13.92,-3.62,;15.25,-4.4,;15.25,-5.92,;16.8,-4.4,;17.57,-5.73,;17.57,-3.05,;13.92,-2.08,;12.59,-1.32,;11.27,-2.09,;9.94,-1.34,;9.92,.2,;8.59,.97,;11.25,.97,;12.58,.21,;13.91,1.01,;15.25,.23,;16.58,1,;17.89,.25,;19.23,1.02,;17.91,-1.29,;16.58,-2.07,;15.25,-1.29,;11.25,-12.87,;7.25,-15.18,;7.25,-13.64,;5.92,-15.95,;4.57,-15.18,;4.57,-13.64,;3.23,-12.87,;1.9,-13.64,;.57,-12.87,;1.9,-15.18,;.56,-15.95,;3.23,-15.95,)|
CN([C@H](CN1CCCC1)c1cccc(NC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 |wU:2.1,(9.81,-19.13,;9.81,-17.59,;11.14,-16.82,;12.48,-17.59,;13.81,-16.82,;13.97,-15.27,;15.48,-14.95,;16.25,-16.27,;15.23,-17.43,;11.14,-15.27,;9.81,-14.53,;9.81,-12.99,;11.14,-12.21,;12.48,-12.97,;13.81,-12.21,;13.81,-10.67,;12.48,-9.9,;15.14,-9.88,;15.14,-8.34,;13.81,-7.6,;13.8,-6.05,;15.14,-5.28,;16.48,-6.05,;16.48,-7.58,;18.02,-6.05,;18.78,-7.37,;18.78,-4.72,;15.14,-3.74,;13.81,-2.97,;12.49,-3.74,;11.16,-3,;11.14,-1.45,;9.81,-.7,;12.48,-.68,;13.8,-1.45,;15.14,-.66,;16.48,-1.43,;17.78,-.66,;19.11,-1.42,;20.43,-.65,;19.12,-2.96,;17.78,-3.72,;16.48,-2.96,;12.48,-14.52,;8.47,-16.82,;8.47,-15.27,;7.14,-17.6,;5.79,-16.83,;5.79,-15.27,;4.47,-14.51,;3.14,-15.3,;1.8,-14.51,;3.14,-16.83,;1.77,-17.6,;4.47,-17.6,)|
CN([C@@H](CN1CCCC1)c1cccc(N)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
CN([C@@H](CN1CCCC1)c1cccc(NC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 |wD:2.1,(1.43,-15.81,;1.43,-14.27,;2.77,-13.5,;4.1,-14.27,;5.43,-13.49,;5.6,-11.95,;7.11,-11.63,;7.88,-12.96,;6.85,-14.11,;2.77,-11.96,;1.43,-11.2,;1.43,-9.66,;2.77,-8.87,;4.1,-9.64,;5.43,-8.87,;5.43,-7.33,;4.1,-6.55,;6.77,-6.55,;6.77,-5.01,;5.43,-4.26,;5.42,-2.72,;6.77,-1.94,;8.1,-2.71,;8.1,-4.24,;9.64,-2.71,;10.41,-4.05,;10.41,-1.36,;6.77,-.4,;5.43,.37,;4.1,-.41,;2.78,.34,;2.77,1.89,;1.43,2.66,;4.1,2.66,;5.42,1.89,;6.76,2.69,;8.1,1.92,;9.42,2.68,;10.74,1.93,;12.07,2.7,;10.76,.39,;9.42,-.38,;8.1,.39,;4.1,-11.18,;.09,-13.5,;.09,-11.96,;-1.24,-14.27,;-2.59,-13.5,;-2.59,-11.96,;-3.92,-11.18,;-5.25,-11.96,;-6.59,-11.18,;-5.25,-13.5,;-6.59,-14.27,;-3.92,-14.27,)|
CCO[C@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c5c(CC1N(CC=C)CC[C@@]235)ccc4O |THB:29:19:3:22.27.26,17:18:3:22.27.26|
CCO[C@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c5c(CC1N(C)CCC235)ccc4O |TLB:17:18:3:22.25.24,23:22:3:18.19.20,THB:2:3:18.19.20:22.25.24|
Cc1ccc(O)c(c1)C(=O)NC[C@]1(C)C[C@H](O)CC(C)(C)C1 |r|
CCN(CC)C(=O)c1[nH]c2C[C@]3(CCN(C)C[C@@H]3Cc2c1C)c1cccc(O)c1
CN1CC[C@@]2(Cc3nc4ccccc4cc3C[C@H]2C1)c1cccc(O)c1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r|
CCC1Oc2c(cccc2O)C11CCN(C)CC1
CN1CCC2(COc3c2cccc3O)CC1
CC1Oc2c(cccc2O)C11CCN(C)CC1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@]1(CCC[C@@H]1O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@]1(CCCC[C@H]1O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r|
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@]1(CCC[C@H]1O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@]1(CCCC[C@@H]1O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@](C)(CO)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@](C)(CO)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O
CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
CC1(C)SCCSC[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(N)=O |r|
CC1(C)SSC[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O |r|
CC1(C)SCCSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(N)=O |r|
CC1(C)SSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NC1CCNc2ccc(Cc3ccccc3)cc12
C[C@@]12CN(CCc3ccccc3)CC[C@@]1(Cc1ccccc1C2)c1cccc(O)c1
CN1CC[C@@]2(Cc3ccccc3C[C@]2(C)C1)c1cccc(O)c1
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NNC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)C(=O)NNC(=O)[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H]([C@@H](C)c1ccccc1)C(=O)NNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)c1ccccc1
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H]([C@H](C)c1ccccc1)C(=O)NNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@H](C)c1ccccc1
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](N)Cc1ccccc1
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](N)Cc1ccc(O)cc1
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@@H](N)Cc1ccccc1
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)[C@H](N)Cc1ccccc1
CCCC[C@@H](N)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NN
CCCC[C@H](N)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](N)Cc1c[nH]c2ccccc12
CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(N)nc41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cn[nH]c41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(=O)[nH]c41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(nc41)-c1ccccc1)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(C)nc41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
Clc1ccc(CC(=O)N2CCc3sccc3C2CN2CCCCC2)cc1Cl
Clc1ccc(CC(=O)N2CCc3c([nH]c4ccccc34)C2CN2CCCC2)cc1Cl
FC(F)(F)c1ccc(CC(=O)N2CCc3sccc3C2CN2CCCCC2)cc1
Clc1ccc(CC(=O)N2CCc3sccc3C2CN2CCCC2)cc1Cl
Clc1ccc(CC(=O)N2CCc3ccsc3C2CN2CCCC2)cc1Cl
FC(F)(F)c1ccc(CC(=O)N2CCc3ccccc3C2CN2CCCCC2)cc1
CCO.OC(C(O)C(O)=O)C(O)=O.CN(C)CC1N(CCc2ccccc12)C(=O)Cc1ccc(Cl)c(Cl)c1
FC(F)(F)c1ccc(CC(=O)N2CCc3ccccc3[C@H]2CN2CCCC2)cc1 |r|
FC(F)(F)c1ccc(CC(=O)N2CCCC[C@H]2CN2CCCC2)cc1
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)C\C(=C\c1ccccc1)C2=O)ccc3O |r,THB:10:9:17:6.5.4|
Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccc(cc1)-c1ccccc1 |w:25.31,THB:8:7:23:18.4.5|
Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1cccc2ccccc12 |w:25.31,THB:8:7:23:18.4.5|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCNC(=O)CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
CN1[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)NCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O)C(N)=O
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O
Cc1ccccc1C[C@@H]1NC(=O)[C@@H](CCCNC(=O)CC[C@H](NC1=O)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCNC(=O)CC[C@H](NC(=O)[C@@]2(CCc3ccccc3C2)NC1=O)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCNC(=O)CC[C@H](NC(=O)[C@]2(CCc3ccccc3C2)NC1=O)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCNC(=O)CC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCNC(=O)CC[C@@H](NC(=O)C2(Cc3ccccc3C2)NC1=O)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCNC(=O)CC[C@H](NC(=O)[C@@H]2Cc3ccccc3CN2C1=O)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCNC(=O)CC[C@H](NC(=O)[C@@H](CCc2ccccc2)NC1=O)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCNC(=O)CC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(N)=O
C[C@]1(Cc2ccccc2)NC(=O)[C@@H](CCCNC(=O)CC[C@H](NC1=O)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCNC(=O)CC[C@H](NC(=O)[C@H](CCc2ccccc2)NC1=O)C(N)=O
CO[C@@]12CCC3(C[C@@H]1[C@](C)(O)C(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2C3(CCN1C)c45 |TLB:28:27:5:29.16.15|
CC1(C)OC23CCC4(CC2C1(C)C)C1Cc2ccc(O)c5OC3C4(CCN1CC1CC1)c25 |TLB:27:26:7:31.15.14,20:31:7:26.24.25,THB:6:7:31.15.14:26.24.25|
C[C@@H]1CO[C@@]23CCC4(C[C@H]12)C1Cc2ccc(O)c5O[C@@H]3C4(CCN1CC1CC1)c25 |TLB:24:23:7:28.12.11,17:28:7:23.21.22,THB:6:7:28.12.11:23.21.22|
C[C@H]1CO[C@@]23CCC4(C[C@@H]12)[C@H]1Cc2ccc(O)c5O[C@@H]3C4(CCN1CC1CC1)c25 |TLB:24:23:7:28.12.11|
[H][C@@]12C[C@]34CC[C@]1(OC(C)(C)C2(C)C)[C@]1([H])Oc2c5c(CC3N(C)CC[C@@]415)ccc2O |r,TLB:23:22:3:18.19.20,THB:11:1:26.14:5.4|
COc1ccc2C[C@H]3N(C)CCC45[C@@H](Oc1c24)[C@@]1(CCC35C[C@@H]1[C@](C)(O)C(C)C)OC |THB:9:8:20:16.5.6|
CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
CO[C@@]12CCC3(C[C@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2C3(CCN1C)c45 |TLB:29:28:5:30.17.16|
[H][C@]12C[C@]34CC[C@]1(OC(C)(C)C2(C)C)[C@]1([H])Oc2c5c(CC3N(C)CC[C@@]415)ccc2O |r,TLB:23:22:3:18.19.20,THB:11:1:26.14:5.4|
CC1C2CC34CCC2(OC1(C)C)C1Oc2c5c(CC3N(C)CCC415)ccc2O |TLB:5:4:15.16.17:19.22.21,14:15:4:19.22.21,20:19:4:15.16.17|
COC12CCC3(CC1C(C)(C)O)C1Cc4ccc(O)c5OC2C3(CCN1CC1CC1)c45 |TLB:26:25:5:30.14.13,19:30:5:25.23.24,THB:4:5:30.14.13:25.23.24|
CN(C)C(=O)c1ccc(cc1)C(N1CCN(CC=C)CC1)c1ccccc1
CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1CCN(CC=C)CC1)c1ccccc1 |r|
C=CCN1CCN(CC1)C(c1ccccc1)c1ccc(cc1)C(=O)N1CCCCC1
CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(CC=C)CC1)c1ccccc1
CCCOC(CN(Cc1cccnc1)C(=O)c1ccc(cc1)C(N1CCN(CC=C)CC1)c1ccccc1)OCCC
C=CCN1CCN(CC1)C(c1ccccc1)c1ccc(cc1)-c1cccs1
CCOC(=O)c1ccc(cc1)C(N1CCN(CC=C)CC1)c1ccccc1
COc1ccc(NC(=O)c2ccc(cc2)C(N2CCN(CC=C)CC2)c2ccccc2)cc1
C=CCN1CCN(CC1)C(c1ccccc1)c1ccc(cc1)-c1ccccc1
C[C@@H]1CN(C(c2ccccc2)c2ccccc2)[C@@H](C)CN1CC=C
COC(=O)c1ccc(cc1)C(N1CCN(CC=C)CC1)c1ccccc1
CCCN(CC1CC1)C(=O)c1ccc(cc1)C(N1CCN(CC=C)CC1)c1ccccc1
CCNC(=O)c1ccc(cc1)C(N1CCN(CC=C)CC1)c1ccccc1
C=CCN1CCN(CC1)C(c1ccccc1)c1ccc(cc1)-c1ccccn1
OC(=O)c1ccc(cc1)C(N1CCN(CC=C)CC1)c1ccccc1
COc1cccc(c1)C(N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccc(cc1)-c1ccccn1
COC(=O)c1ccc(cc1)C(N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1
CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1CCN(CC=C)CC1)c1cccc(OC)c1 |r|
COc1cccc(c1)C(N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccc(cc1)C(O)=O
CCN(CC)C(=S)c1ccc(cc1)C(N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1
CCN(CC)C(=O)c1ccc(cc1)C(N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccccc1
C=CCN1CCN(CC1)C(c1ccccc1)c1ccc(cc1)-c1cccnc1
CCCN(CCC)C(=O)c1ccc(cc1)C(N1CCN(CC=C)CC1)c1ccccc1
CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(CC2CCc3ccccc3C2)CC1)c1ccccc1
CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(CC1)c1ccc(O)cc1)c1ccccc1
CCN(CCN(C)C)C(c1ccccc1)c1ccc(cc1)C(=O)N(CC)CC
CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(CC1)C1CCCC1)c1ccccc1
CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(Cc2ccc3OCOc3c2)C[C@@H]1C)c1ccccc1
CCN(CC)C(=O)c1ccc(cc1)C(NCC(C)(C)N)c1ccccc1
CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(CCO)CC1)c1ccccc1
CCCN1CCN(CC1)C(c1ccccc1)c1ccc(cc1)C(=O)N(CC)CC
CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(Cc2ccc3OCOc3c2)CC1)c1ccccc1
CCN(CC)C(=O)c1ccc(cc1)C(N(CCN(C)C)Cc1ccccc1)c1ccccc1
CCN(CC)C(=O)c1ccc(cc1)C(N1CCNC2CCCCC12)c1ccccc1
CCN(CC)C(=O)c1ccc(cc1)C(N1CCCN(CC=C)CC1)c1ccccc1
CCN(CC)C(=O)c1ccc(cc1)C(N1CC(C)NC(C)C1)c1ccccc1
CCCN(C)C(=O)c1ccc(cc1)N([C@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)c1ccccc1 |THB:22:21:14.20.15:17.18|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)COC[C@@H](N)Cc1ccc(O)cc1)C(N)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)COCCNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
COc1ccc(cc1)-c1ccc2C[C@H](N(Cc2c1)C(=O)C(N)Cc1c(C)cc(O)cc1C)C(O)=O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2cc(ccc2C[C@H]1C(O)=O)-c1ccc(F)cc1
COc1c(Br)cc2C[C@H](N(Cc2c1Br)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(O)=O
COc1ccc(cc1)-c1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(O)=O
COc1c(Br)cc2C[C@H](N(Cc2c1Br)C(=O)[C@H](N)Cc1c(C)cc(O)cc1C)C(O)=O
Cc1cc(O)cc(C)c1C[C@@H](N)C(=O)N1Cc2c(C[C@H]1C(O)=O)cc(Br)c(O)c2Br
COc1ccc(cc1)-c1cc2C[C@H](N(Cc2cc1OC)C(=O)C(N)Cc1c(C)cc(O)cc1C)C(O)=O
Cc1cc(O)cc(C)c1C[C@@H](N)C(=O)N1Cc2cc(ccc2C[C@H]1C(O)=O)-c1ccc(F)cc1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2cc(ccc2C[C@H]1C(O)=O)-c1ccccc1
Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2cc(ccc2C[C@H]1C(O)=O)-c1ccsc1
COc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(O)=O
COc1cc2CN([C@@H](Cc2cc1-c1ccc(F)cc1)C(O)=O)C(=O)C(N)Cc1c(C)cc(O)cc1C
Cc1cc(O)cc(C)c1C[C@@H](N)C(=O)N1Cc2cc(ccc2C[C@H]1C(O)=O)-c1ccccc1
COc1cc2CN([C@@H](Cc2cc1-c1ccccc1)C(O)=O)C(=O)C(N)Cc1c(C)cc(O)cc1C
Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2cc(O)ccc2C[C@H]1C(O)=O
COc1ccc2C[C@H](N(Cc2c1)C(=O)C(N)Cc1c(C)cc(O)cc1C)C(O)=O
Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2cc(ccc2C[C@H]1C(O)=O)-c1cc2ccccc2o1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2c(C[C@H]1C(O)=O)cc(Br)c(O)c2Br
C[C@H]1C2Cc3ccc(N)cc3[C@@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
C[C@H]1[C@H]2Cc3ccc(Nc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:22:21:1:16.4.3|
CNc1ccc2CC3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |TLB:15:14:8:19.5.6,20:19:8:14.12.13|
C[C@H]1C2Cc3ccc(NCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:23:22:1:17.4.3,16:17:1:22.20.21|
C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:16:15:1:4.10.3|
C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N(C)Cc1ccccc1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N(C)C |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N1CCCC1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
[H][C@@]12Cc3ccc(O)cc3[C@@](C)(CN1CC1CC1)[C@@H]2C |r,TLB:19:18:12.13:9.3.2|
C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N1CCN(C)CC1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N1CCOCC1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
CCNc1ccc2CC3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |TLB:16:15:9:20.6.7,21:20:9:15.13.14|
C[C@H]1C2Cc3ccc(NCCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:24:23:1:18.4.3,17:18:1:23.21.22|
CC(C)Nc1ccc2CC3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |TLB:17:16:10:21.7.8,22:21:10:16.14.15|
C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3|
C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N1CCCCC1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
CCCCC(=N)NCCc1ccc2[nH]c3C4Oc5c6c(CC7N(CC8CC8)CCC46[C@@]7(O)Cc3c2c1)ccc5O |THB:23:22:30:18.19.20,17:18:30:22.28.27,31:30:18.19.20:22.28.27|
NCCc1ccc2[nH]c3C4Oc5c6c(CC7N(CC8CC8)CCC46[C@@]7(O)Cc3c2c1)ccc5O |THB:17:16:24:12.13.14,11:12:24:16.22.21,25:24:12.13.14:16.22.21|
CCCCC(=N)NCc1ccc2[nH]c3C4Oc5c6c(CC7N(CC8CC8)CCC46[C@@]7(O)Cc3c2c1)ccc5O |THB:22:21:29:17.18.19,16:17:29:21.27.26,30:29:17.18.19:21.27.26|
Clc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1Cl
CN1CCCC1C1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1
CC(C1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1)N(C)C
Oc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1
CCC(=O)N(c1ccccc1)C1(CCN(CCn2cccn2)CC1)C(=O)OC
CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2cccn2)CC1
COCCC1CC2CN3CCc4c([nH]c5ccccc45)C(C2)(C13)C(=O)OC |TLB:3:4:20.21:8.7,23:20:8.7:4.5,THB:12:20:8.7:4.5,4:22:21.7.6:12.11.10.9,9:8:20.21:4.5|
CNC(c1ccccc1)C(C)(C)C(=O)NCc1ccccc1
CNC(c1cccc(O)c1)C(C)(C)C(=O)NCc1ccccc1
CCCCN(C)C(c1cccc(O)c1)C(C)(C)C(=O)NCCc1ccccc1
CNC(c1ccccc1)C(C)(C)C(=O)NCC1CCCCC1
CNC(c1cccc(O)c1)C(C)(C)C(=O)NCC1CCCCC1
CNC(c1cccc(O)c1)C(C)(C)C(=O)NCCc1ccccc1
CNC(c1cccc(O)c1)C(C)(C)C(=O)NCCCc1ccccc1
CNC(c1ccccc1)C(C)(C)C(=O)NCCc1ccccc1
CNC(c1cccc(O)c1)C(C)(C)C(=O)NCC1CC1
CN(CC1CC1)C(c1cccc(O)c1)C(C)(C)C(=O)NCCc1ccccc1
CNC(c1cccc(O)c1)C(C)(C)C(=O)NCc1cccc2ccccc12
COc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
FC(F)(F)c1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
C=Cc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
COc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
CSc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Fc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
c1cc2c(c[nH]c2nc1)CN3CCN(CC3)c4ccc(cc4)Cl
C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
CCCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
CN(C)C(=O)c1ccc2C[C@@H]3[C@@H]4C=CC(O)C5Oc1c2[C@]45CCN3C |c:12|
CN1CC[C@@]23C4Oc5c2c(C[C@@H]1[C@@H]3C=CC4O)ccc5C(N)=O |c:16|
CC1C2Cc3ccc(cc3C1(C)CCN2CC1CC1)C(N)=O |TLB:8:9:1:14.13.12,15:14:1:4.9.3|
CNC(=O)c1ccc2C[C@@H]3[C@@H]4C=CC(O)C5Oc1c2[C@]45CCN3C |c:11|
Clc1ccc(CC(=O)N2CCCC[C@H]2CN2CCCC2)cc1Cl
NCCCC(=O)NCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
NCCCC(=O)NCCN(CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)CCCN
NCCCC(=O)NCCCN(CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)CCCN
NCCCC(=O)NCCN(CCN(CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)CCCN)C(=O)CCCN
[H][C@@]12Cc3cc(O)ccc3[C@]3(CCCC[C@@]13[H])CCN2C\C=C/I |THB:20:19:15:9.3.2|
Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3Cc2ccccc2)c1 |THB:17:16:8:4.5.6|
CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |r,TLB:0:1:12.18.11:9|
Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CC2CCCC2)c1 |THB:17:16:8:4.5.6|
Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CCCF)c1 |THB:17:16:8:4.5.6|
Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CC2CCCCC2)c1 |THB:17:16:8:4.5.6|
CCOCCN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc31 |TLB:4:5:13:22.16.15|
Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
COCCN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc31 |TLB:3:4:12:21.15.14|
Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CCC(=O)c2cccs2)c1 |THB:17:16:8:4.5.6|
Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CC=C)c1 |THB:17:16:8:4.5.6|
OC(CCN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc31)c1ccccc1 |TLB:3:4:12:21.15.14|
Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3Cc2cccs2)c1 |THB:17:16:8:4.5.6|
Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3Cc2ccco2)c1 |THB:17:16:8:4.5.6|
OC(CCN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc31)c1cccs1 |TLB:3:4:12:21.15.14|
Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CCc2ccccc2)c1 |THB:17:16:8:4.5.6|
Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CCC(=O)c2ccccc2)c1 |THB:17:16:8:4.5.6|
Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CCOc2ccccc2)c1 |THB:17:16:8:4.5.6|
OC(CCN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc31)c1ccco1 |TLB:3:4:12:21.15.14|
Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,TLB:16:15:4.21.5:7|
Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CCC(F)(F)F)c1 |THB:17:16:8:4.5.6|
Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CCC(=O)c2ccco2)c1 |THB:17:16:8:4.5.6|
[H][C@@]12Cc3cc(O)ccc3[C@]3(CCCC[C@@]13[H])CCN2C\C=C\I |THB:20:19:15:9.3.2|
CC(C)CN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc31 |TLB:3:4:12:21.15.14|
Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CCC#N)c1 |THB:17:16:8:4.5.6|
Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CCCC#N)c1 |THB:17:16:8:4.5.6|
Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC#C)c2c1
CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N1
CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN(C)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
CNC(Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)NC(Cc1ccc(cc1)[N+]([O-])=O)C(=O)NC(CC(C)C)C(=O)NC(CCC[N-]C(N)=[NH2+])C(=O)NC(CCC[N-]C(N)=[NH2+])C(=O)NC(CC(C)C)C(N)=O
CCNC(=O)C(CC(C)C)NC(=O)C(CCC[N-]C(N)=[NH2+])N(C)C(=O)C(CCC[N-]C(N)=[NH2+])NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC
CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC
CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC
CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
CCCCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC
CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NNC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
CC(=C)CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1cn[nH]c41)ccc5O |TLB:16:15:11.12.13:4.6.5,THB:3:4:15:11.12.13,10:11:15:4.6.5|
CC(=C)CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)CC1(Cc2ccccc2C1)C4=O)ccc5O |TLB:16:15:11.12.13:4.6.5,THB:3:4:15:11.12.13,10:11:15:4.6.5|
COc1ccc2CC3N(CC(C)=C)CCC45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |TLB:31:30:19.5.6:8.14.13,THB:9:8:30:19.5.6,18:19:30:8.14.13|
CC(=C)CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4oc2ccccc12)ccc5O |TLB:16:15:11.12.13:4.6.5,THB:3:4:15:11.12.13,10:11:15:4.6.5|
COc1ccc2CC3N(CC(C)=C)CCC45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)-c1ccc(Cl)cc1 |TLB:28:27:19.5.6:8.14.13,THB:9:8:27:19.5.6,18:19:27:8.14.13|
CC(=C)CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)CC(=Cc1ccccc1)C4=O)ccc5O |w:19.22,TLB:16:15:11.12.13:4.6.5,THB:10:11:15:4.6.5,3:4:15:11.12.13|
COc1ccc2CC3N(CC(C)=C)CCC45[C@@H](Oc1c24)c1oc2ccccc2c1C[C@@]35O |TLB:31:30:19.5.6:8.14.13,THB:9:8:30:19.5.6,18:19:30:8.14.13|
COc1ccc2CC3N(CC(C)=C)CCC45[C@@H](Oc1c24)C(=O)C1(Cc2ccccc2C1)C[C@@]35O |TLB:33:32:19.5.6:8.14.13,THB:9:8:32:19.5.6,18:19:32:8.14.13|
COc1ccc2CC3N(CC(C)=C)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccccc1 |w:26.31,TLB:25:24:19.5.6:8.14.13,THB:18:19:24:8.14.13,9:8:24:19.5.6|
COc1ccc2CC3N(CC(C)=C)CCC45[C@@H](Oc1c24)c1[nH]ncc1C[C@@]35O |TLB:27:26:19.5.6:8.14.13,THB:9:8:26:19.5.6,18:19:26:8.14.13|
CC(=C)CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1cc(cnc41)-c1ccc(Cl)cc1)ccc5O |TLB:16:15:11.12.13:4.6.5,THB:3:4:15:11.12.13,10:11:15:4.6.5|
CC(=C)CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:16:15:11.12.13:4.6.5,THB:3:4:15:11.12.13,10:11:15:4.6.5|
CC(C)C[C@H](NC(=O)[C@H](Cc1c(C)cccc1C)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O
CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
C[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](C)Cc1c(C)cc(O)cc1C)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2n(C)c2ccccc12)ccc3O |THB:10:9:17:5.6.4|
CCCn1c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CCC35[C@@]6(O)Cc2c2ccccc12)ccc4O |TLB:13:12:20:8.9.10,THB:7:8:20:12.18.17,21:20:8.9.10:12.18.17|
Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35NC=O)c2ccccc2n1CCCF |TLB:8:7:22:18.4.5,23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12|
Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1CCCF |TLB:8:7:22:18.4.5,23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12|
Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35NC=O |TLB:8:7:29:18.4.5,30:29:18.4.5:7.13.12,THB:17:18:29:7.13.12|
COc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35N |TLB:9:8:30:19.5.6,31:30:19.5.6:8.14.13,THB:18:19:30:8.14.13|
COc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35NCCCF |TLB:9:8:30:19.5.6,31:30:19.5.6:8.14.13,THB:18:19:30:8.14.13|
CCn1c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CCC35[C@@]6(O)Cc2c2ccccc12)ccc4O |TLB:12:11:19:7.8.9,THB:6:7:19:11.17.16,20:19:7.8.9:11.17.16|
CCCSCCCN[C@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c5c(CC1N(CC1CC1)CCC235)ccc4O |TLB:21:22:8:26.32.31,THB:27:26:8:22.23.24,7:8:22.23.24:26.32.31|
COc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35NCCF |TLB:9:8:30:19.5.6,31:30:19.5.6:8.14.13,THB:18:19:30:8.14.13|
CCN[C@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c5c(CC1N(CC1CC1)CCC235)ccc4O |TLB:16:17:3:21.27.26,THB:22:21:3:17.18.19,2:3:17.18.19:21.27.26|
CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4n(CCF)c2ccccc12)ccc5O |TLB:13:12:8.9.10:1.3.2,0:1:12:8.9.10,THB:7:8:12:1.3.2|
CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4n(CCCF)c2ccccc12)ccc5O |TLB:13:12:8.9.10:1.3.2,0:1:12:8.9.10,THB:7:8:12:1.3.2|
Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1CCF |TLB:8:7:22:18.4.5,23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12|
CCCN[C@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c5c(CC1N(CC1CC1)CCC235)ccc4OC |TLB:17:18:4:22.28.27,THB:23:22:4:18.19.20,3:4:18.19.20:22.28.27|
CCN[C@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c5c(CC1N(CC1CC1)CCC235)ccc4OC |TLB:16:17:3:21.27.26,THB:22:21:3:17.18.19,2:3:17.18.19:21.27.26|
CCCN[C@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c5c(CC1N(CC1CC1)CCC235)ccc4O |TLB:17:18:4:22.28.27,THB:23:22:4:18.19.20,3:4:18.19.20:22.28.27|
Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35NC=O)c2ccccc2n1CCF |TLB:8:7:22:18.4.5,23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12|
C[C@@H]1C2C3Cc4ccc(O)c5O[C@@H](c6[nH]c7ccccc7c16)C2(CCN3C)c45 |TLB:10:27:2:25.23.24|
COc1ccc2CC3C4Cc5c([nH]c6ccccc56)[C@@H]5Oc1c2C45CCN3C |TLB:21:22:8:26.24.25|
COc1ccc2CC3C4[C@@H](C)c5c([nH]c6ccccc56)[C@@H]5Oc1c2C45CCN3C |TLB:22:23:8:27.25.26|
CCCC[C@@H]1C2C3Cc4ccc(OC)c5O[C@@H](c6[nH]c7ccccc7c16)C2(CCN3C)c45 |TLB:14:31:5:29.27.28|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])Cc1c2[nH]c2ccccc12)ccc3O |r,THB:10:9:4.5.6:14|
CCCC[C@@H]1C2C3Cc4ccc(O)c5O[C@@H](c6[nH]c7ccccc7c16)C2(CCN3C)c45 |TLB:13:30:5:28.26.27|
Fc1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Clc1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
COc1ccc(F)cc1-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
[O-][N+](=O)c1cccc(c1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
COc1ccc(Cl)cc1-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
COc1ccc(OC)c(c1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
COc1ccccc1-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
FC(F)(F)Oc1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Cc1cccc(c1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
O=c1c(cccn1C(CN1CCCC1)c1ccccc1)-c1cccc(c1)C#N
O=c1c(cccn1C(CN1CCCC1)c1ccccc1)-c1ccc2ccccc2c1
Fc1ccc(F)c(c1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
FC(F)(F)c1ccccc1-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
FC(F)(F)c1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Clc1ccc(cc1Cl)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
O=c1c(cccn1C(CN1CCCC1)c1ccccc1)-c1ccccc1
COc1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Clc1cccc(c1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
C[C@@]12CCCCS[C@@H](Cc3ccc(O)cc13)C2N
CS[C@@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N
CO[C@@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N
CC[C@@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N
CCCCC(N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1)c1ccccc1
N[C@H]([C@@H]1CCN1C(c1ccccc1)c1ccccc1)c1cccc(F)c1
CCCCC(CCCC)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1
CCC(N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1)c1ccccc1
N[C@H]([C@@H]1CCN1C(c1ccccc1)c1ccccc1)c1cccc(c1)C(F)(F)F
CCCCC(N1CC[C@H]1[C@H](N)c1cccc(Cl)c1)c1cccc(F)c1
N[C@@H]([C@@H]1CCN1C(c1ccc(F)cc1)c1ccc(F)cc1)c1cccc(Cl)c1
N[C@@H]([C@H]1CCN1C(c1ccccc1)c1ccccc1)c1cccc(c1)C(F)(F)F
COc1ccc(cc1)[C@H](N)[C@@H]1CCN1C(c1ccccc1)c1ccccc1
N[C@@H]([C@@H]1CCN1C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1cccc(Cl)c1
N[C@H]([C@@H]1CCN1C(c1ccccc1)c1ccccc1)c1cccc(Cl)c1
CCCC(N1CC[C@H]1[C@H](N)c1cccc(Cl)c1)c1ccccc1
CCCC(N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1)c1ccccc1
N[C@@H]([C@@H]1CCN1C(c1cccc(Cl)c1)c1cccc(Cl)c1)c1cccc(Cl)c1
N[C@H]([C@@H]1CCN1C(c1ccccc1)c1ccccc1)c1ccc(Oc2ccccc2)cc1
N[C@H]([C@@H]1CCN1C(c1ccccc1)c1ccccc1)c1cc(F)cc(F)c1
CCCCC(N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1)c1cccc(F)c1
N[C@H]([C@@H]1CCN1C(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1
CC(N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1)c1ccccc1
Cc1ccc(cc1)[C@H](N)[C@@H]1CCN1C(c1ccccc1)c1ccccc1
CCCCC(N1CC[C@H]1[C@H](N)c1cccc(Cl)c1)c1ccccc1
Cc1ccc(cc1)C(N1CC[C@H]1[C@H](N)c1cccc(Cl)c1)c1ccc(C)cc1
CCCCCC(N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1)c1ccccc1
N[C@@H]([C@@H]1CCN1C(c1ccc(Br)cc1)c1ccc(Br)cc1)c1cccc(Cl)c1
CCC(N1CC[C@H]1[C@H](N)c1cccc(Cl)c1)c1ccccc1
CCCCCCC(N1CC[C@H]1[C@H](N)c1cccc(Cl)c1)c1ccccc1
Cc1ccc(cc1F)[C@H](N)[C@@H]1CCN1C(c1ccccc1)c1ccccc1
N[C@@H]([C@@H]1CCN1C(c1cccc(F)c1)c1cccc(F)c1)c1cccc(Cl)c1
CCCCC(N1CC[C@H]1[C@H](N)c1cccc(Cl)c1)c1cc(F)cc(F)c1
CCCCCCC(N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1)c1ccccc1
CCCCCC(N1CC[C@H]1[C@H](N)c1cccc(Cl)c1)c1ccccc1
CCCCC(N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1)c1cc(F)cc(F)c1
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N1CN(CC1=O)C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
CC(C)C[C@H](N1CN([C@@H](Cc2ccccc2)C1=O)C(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CN(CC1=O)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
CNC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
CC(C)C[C@@H]1N(CNC1=O)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
CC(C)C[C@H](N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN1CN[C@@H](Cc2ccc(O)cc2)C1=O)C(N)=O
O[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4NC=O
C[C@H]1C2Cc3ccc(NC(C)=O)cc3[C@@]1(C)CCN2CC1CC1 |TLB:19:18:1:13.4.3,12:13:1:18.16.17|
C[C@@H]1C2Cc3ccc(NC=O)cc3[C@]1(C)CCN2CC1CC1 |TLB:18:17:1:12.4.3,11:12:1:17.15.16|
C[C@H]1C2Cc3ccc(NC=O)cc3[C@@]1(C)CCN2CC1CC1 |TLB:0:1:12.4.3:17.15.16,18:17:1:12.4.3,11:12:1:17.15.16|
CC1[C@H]2Cc3ccc(NC=O)cc3[C@]1(C)CCN2CC1CC1 |TLB:18:17:1:12.4.3|
Nc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(cc21)C(N)=O |TLB:6:5:20.13.15:11,14:13:11:5.3.4,THB:19:20:11:5.3.4|
C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N(C)C=O |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(NC=O)cc21 |TLB:6:5:13.23.15:11,14:13:11:5.3.4,THB:22:23:11:5.3.4|
C[C@H]1C2Cc3ccc(NC(=O)c4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:24:23:1:18.4.3,17:18:1:23.21.22|
CC(C)C1CCC(CC1)N1CCC(O)(CC1)c1cccc(c1)C(F)(F)F |(14.24,-8.94,;14.99,-7.59,;16.53,-7.57,;14.19,-6.28,;14.94,-4.93,;14.15,-3.6,;12.61,-3.65,;11.86,-4.99,;12.65,-6.3,;11.81,-2.32,;12.56,-.98,;11.77,.35,;10.23,.32,;10.06,1.84,;9.48,-1.03,;10.27,-2.36,;8.73,-.12,;8.35,-1.62,;6.89,-2.03,;5.79,-.96,;6.16,.53,;7.64,.95,;5.05,1.59,;6.11,2.7,;3.97,.47,;3.93,2.65,)|
OC1(CCN(CC1)C1Cc2ccccc2C1)c1ccc(Cl)c(c1)C(F)(F)F
OC1(CCN(CCC(c2ccccc2)c2ccccc2)CC1)c1cccc(c1)C(F)(F)F
CC(C)C1CCC(CC1)N1CCC(O)(CC1)c1ccc(Cl)c(c1)C(F)(F)F |(16.53,-7.57,;14.99,-7.59,;14.24,-8.94,;14.19,-6.28,;14.94,-4.93,;14.15,-3.6,;12.61,-3.65,;11.86,-4.99,;12.65,-6.3,;11.81,-2.32,;10.27,-2.36,;9.48,-1.03,;10.23,.32,;10.06,1.84,;11.77,.35,;12.56,-.98,;8.73,-.12,;8.35,-1.62,;6.89,-2.03,;5.79,-.96,;4.32,-1.38,;6.16,.53,;7.64,.95,;5.05,1.59,;6.11,2.7,;3.97,.47,;3.93,2.65,)|
OC1(CCN(CC1)C1CCC2CCCCC2C1)c1cccc(c1)C(F)(F)F
OC1(CCN(CC2CCCCCCC2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(CO)c1
C[C@H]1CN(CCCc2ccccc2)CC[C@@]1(C)c1cccc(c1)C(N)=O
CC(CCN1CC[C@](C)([C@@H](C)C1)c1cccc(c1)C(N)=O)CC(C)(C)C
CSc1ccc(CN2CC[C@](C)([C@@H](C)C2)c2cccc(c2)C(N)=O)cc1
C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(c1)C(N)=O
CC(CCN1CC[C@](C)([C@@H](C)C1)c1cccc(c1)C(N)=O)c1ccccc1
CNC(=O)c1cccc(c1)[C@]1(C)CCN(CCc2ccccc2)C[C@@H]1C
C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(O)c1
C[C@H]1CN(Cc2cccc(Cl)c2)CC[C@@]1(C)c1cccc(c1)C(N)=O
C[C@H]1CN(Cc2ccc3ccccc3n2)CC[C@@]1(C)c1cccc(c1)C(N)=O
[#7]\[#6](-[#7])=[#7]/c1cnc2-[#6@@H]3-[#8]-c4c5c(-[#6]-[#6@H]6-[#7](-[#6]-[#6]-7-[#6]-[#6]-7)-[#6]-[#6][C@@]35[C@@]6([#8])[#6]-c2c1)ccc4-[#8]
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)-n1cccc1
OC1CCN(CC(c2ccccc2)n2cccc(-c3ccc(OC(F)(F)F)cc3)c2=O)C1
Clc1ccc(c(Cl)c1)-c1cncn(C(CN2CCCC2)c2ccccc2)c1=O
OC(=O)COc1cccc(c1)C(CN1CCCC1)n1cccc(-c2ccc(cc2)C(F)(F)F)c1=O
COc1cccc(OC)c1-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O |(3.61,-3.48,;4.94,-4.26,;4.94,-5.81,;3.61,-6.58,;3.61,-8.14,;4.94,-8.91,;6.27,-8.14,;7.61,-8.89,;7.61,-10.44,;6.27,-6.58,;7.61,-5.81,;7.61,-4.26,;8.96,-3.49,;10.3,-4.26,;10.3,-5.81,;11.63,-6.58,;12.96,-5.81,;14.32,-6.58,;14.48,-8.12,;16,-8.43,;16.77,-7.09,;18.29,-6.93,;15.72,-5.95,;11.63,-8.12,;10.3,-8.89,;10.3,-10.45,;11.63,-11.22,;12.96,-10.45,;12.96,-8.89,;8.96,-6.58,;8.94,-8.12,)|
COc1ccc(cc1)C(CN1CCCC1)n1cccc(-c2ccc(cc2)C(F)(F)F)c1=O
Cc1cc(ccc1F)-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O
Clc1ccc(c(Cl)c1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
CC(Nc1cccn(C(CN2CCCC2)c2ccccc2)c1=O)c1ccc(C)cc1
Nc1cccc(c1)-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O
FC(F)(F)c1ccc(cc1)-c1cccn(C(CN2C=CC=CC=N2)c2ccccc2)c1=O |c:19,21,23|
COc1ccccc1-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O
OC1CCN(CC(c2ccccc2)n2cccc(-c3ccccc3)c2=O)C1
OC1CCN(CC(c2ccccc2)n2cccc(-c3ccccc3C=O)c2=O)C1
CC(=O)c1ccc(s1)-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O
Cc1ccc(Nc2cccn(C(CN3CCCC3)c3ccccc3)c2=O)cc1
FC(F)(F)c1ccc(Nc2cccn(C(CN3CCCC3)c3ccccc3)c2=O)cc1
COc1ccc(F)cc1-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O
CCN(CC)c1ccc(cc1)C(CN1CCCC1)n1cccc(-c2ccc(cc2)C(F)(F)F)c1=O
OC1CCN(CC(c2ccccc2)n2cccc(-c3cccc(OC(F)(F)F)c3)c2=O)C1
FC(F)(F)c1ccc(cc1)-c1cccn(C(CN2CCOCC2)c2ccccc2)c1=O
OCc1cccc(c1)-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O
COc1ccc(Cl)cc1-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O
COc1ccc(OC)c(c1)-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O
FC(F)(F)c1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccc3OCC(=O)Nc3c2)c1=O
OC1CCN(CC(c2ccccc2)n2cccc(-c3ccc(F)cc3)c2=O)C1
CC(=O)c1ccc(cc1)-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O
[#7]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O
CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)C(N)=O
NC(CCNC(=O)C(Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)C(N)Cc1ccc(O)cc1)C(O)=O
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O
CCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)C(N)=O
NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O
N[C@H](C(=O)N[C@H]1CCCNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O)c1ccc(O)cc1
CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1
COc1cc(O)ccc1CN1CCC[C@@H]1CNC(=S)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1
CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)NC[C@H]1CCCO1
CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCO1
CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccccc1
COc1ccccc1CN1CCC[C@@H]1CNC(=S)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1
CCC(=O)N([C@H]1CCN(CCc2ccc(cc2)N=C=S)C[C@@H]1C)c1ccccc1 |r|
CCC(=O)N([C@H]1CCN(CCc2ccc(cc2)N=C=S)C[C@H]1C)c1ccccc1
CN1CCC[C@@H]1CNC(=S)N1Cc2ccccc2C[C@H]1CNC(=O)NC(C)(C)C
COc1cccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)c1OC
O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccccc1)Nc1ccccc1
COc1cccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)c1O
CC(=O)N1CCC[C@@H]1CNC(=S)N1Cc2ccccc2C[C@H]1CNC(=O)NC(C)(C)C
CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@@H]1CCCO1
CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1C(=O)OC(C)(C)C
CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1C(C)(C)C
O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1)Nc1ccccc1
Oc1ccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)cc1
Oc1cccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)c1
Cc1cc(O)cc(C)c1C(NC(=O)C1Cc2ccccc2CN1)C(O)=O
CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1C(=O)c1ccccc1
CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NCC1CCCO1
CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1C(=O)Nc1ccccc1
O=c1[nH]c2ccccc2n1[C@H]1CCN2[C@H](CCC[C@H]2C2CCCCC2)C1
O=c1[nH]c2ccccc2n1[C@@H]1CCN2[C@H](CCC[C@H]2c2ccccc2)C1
CCn1c2ccccc2n([C@H]2CCN3[C@H](CCC[C@H]3c3ccccc3)C2)c1=O
CCn1c2ccccc2n([C@@H]2CCN3[C@H](CCC[C@H]3c3ccccc3)C2)c1=O
O=c1[nH]c2ccccc2n1[C@@H]1CCN2[C@H](CCC[C@H]2C2CCCCC2)C1
O=c1[nH]c2ccccc2n1[C@H]1CCN2[C@H](CCC[C@H]2c2ccccc2)C1
CCN(C)C1CCCc2ccncc12
CN([C@H]1CCCC[C@@]11CCCN1C)C(=O)c1ccc(cc1)C(F)(F)F
CN([C@H]1CCCC[C@@]11CCCN1C)C(=O)c1ccc(Br)cc1
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCNC(=O)C[C@H](NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCNC(=O)C[C@H](NC(=O)[C@@H](NC1=O)C1CCCCC1)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
CN1[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(=O)NCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCNC(=O)C[C@H](NC(=O)[C@H](CCc2ccccc2)NC1=O)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC(=O)NCCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)NC1=O)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC(=O)NCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
CC(C)C1CCC(CC1)N1CCC(CC1)N1[C@@H]2CCCC[C@H]2NC1=O |wU:21.24,wD:16.17,(-2.39,-9.62,;-1.32,-8.52,;.17,-8.9,;-1.72,-7.04,;-.64,-5.94,;-1.06,-4.43,;-2.56,-4.06,;-3.65,-5.17,;-3.23,-6.66,;-2.98,-2.57,;-1.9,-1.49,;-2.32,-.01,;-3.79,.39,;-4.88,-.71,;-4.47,-2.17,;-4.21,1.86,;-5.66,2.34,;-6.98,1.58,;-8.33,2.34,;-8.33,3.88,;-6.98,4.65,;-5.66,3.88,;-4.21,4.35,;-3.3,3.1,;-1.76,3.09,)|
O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(CC1)C1CCC2CCCCC2C1
CCN1[C@@H]2CCCC[C@H]2N(C2CCN(CC2)C2CCC(CC2)C(C)C)C1=O |wU:3.2,wD:8.9,(-1.76,5.37,;-3.26,5.05,;-3.74,3.6,;-5.19,3.12,;-6.52,3.89,;-7.86,3.12,;-7.86,1.58,;-6.52,.81,;-5.19,1.58,;-3.74,1.11,;-3.33,-.37,;-4.42,-1.47,;-4.01,-2.93,;-2.51,-3.33,;-1.44,-2.24,;-1.86,-.75,;-2.1,-4.82,;-.6,-5.19,;-.18,-6.69,;-1.26,-7.8,;-2.76,-7.41,;-3.18,-5.92,;-.85,-9.28,;.64,-9.66,;-1.92,-10.37,;-2.83,2.34,;-1.3,2.34,)|
CCN1[C@@H]2CCCC[C@H]2N(C2CCN(CC3CCCCCCC3)CC2)C1=O
O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(CC2CCCCCCC2)CC1
[#6]-[#6]-[#7](-[#6]-[#6]-[#8])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
[#6]-[#8]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6](=O)-c1ccccc1)\c1ccccc1
[H][C@]12CC[C@]([H])(C\C(C1)=C(\c1ccccc1)c1ccc(cc1)C(=O)N(CC)CC(C)=C)N2CCc1ccccc1 |r|
[H][C@]12CC[C@]([H])(C\C(C1)=C(\c1ccccc1)c1ccc(cc1)C(=O)N1C(C)CCCC1C)N2CCc1ccccc1 |r|
CCN(CC)C(=O)c1ccc(cc1)N(C1C[C@@H]2CC[C@H](C1)N2CC=C)c1ccccc1 |THB:22:21:14.20.15:17.18|
CCN(CC)C(=O)c1ccc(cc1)N(C1C[C@@H]2CC[C@H](C1)N2)c1ccccc1
CCN(CC)C(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2C)\c1ccccc1 |THB:22:21:14.15.20:17.18|
O=[#6](-[#7]-1-[#6]-[#6]-[#6]-[#6]-1)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1cccc(-[#8]-[#6])c1
CCN(CC)C(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2CC=C)\c1ccccc1 |THB:22:21:14.15.20:17.18|
O=[#6](-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-[#6]-c1ccccc1)\c1ccccc1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2)\c1ccc(-[#8])cc1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccc(F)cc1)\c1ccccc1
[#6]-[#6]-[#6]-[#7]-1-[#6]-2-[#6]-[#6]-[#6]-1-[#6]\[#6](-[#6]-2)=[#6](\c1ccccc1)-c1ccc(cc1)-[#6](=O)-[#7](-[#6]-[#6])-[#6]-[#6]
CCN(CC)C(=O)c1ccc(cc1)C(=C1/C[C@@H]2CC[C@H](C1)N2)\c1ccccc1
[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
CCN(CC)C(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2CCc1c[nH]c2ccccc12)c1ccccc1 |(18.44,4.67,;17.1,5.44,;15.77,4.66,;15.78,3.12,;17.13,2.36,;14.43,5.43,;14.43,6.97,;13.1,4.64,;11.76,5.41,;10.43,4.62,;10.46,3.1,;11.79,2.33,;13.12,3.1,;9.12,2.33,;9.12,.79,;7.8,,;7.8,-1.54,;8.57,-.44,;9.79,-.44,;10.5,-1.68,;10.47,.02,;9.12,-2.31,;9.12,-3.85,;10.46,-4.62,;10.46,-6.16,;11.71,-7.07,;11.23,-8.53,;9.69,-8.53,;8.66,-9.66,;7.17,-9.35,;6.68,-7.89,;7.73,-6.75,;9.22,-7.07,;7.79,3.08,;7.79,4.61,;6.45,5.38,;5.12,4.61,;5.13,3.05,;6.47,2.3,)|
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-[#8]-c1ccccc1)\c1ccccc1
CCN(CC)C(=O)c1ccc(cc1)N(C1CCNCC1)c1ccccc1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6])\c1ccc(-[#8]-[#6])cc1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6])\c1cccc(-[#8]-[#6])c1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6])\c1ccc(-[#8])cc1
CCN(CC)C(=O)c1ccc(cc1)C(=C1/C[C@@H]2CC[C@H](C1)N2CC=C)\c1ccccc1 |THB:22:21:14.20.15:18.17|
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccc2-[#8]-[#6]-[#8]-c2c1)\c1ccccc1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6])\c1cccc(-[#8])c1
[#6]-[#6](-[#6])-[#7](-[#6](-[#6])-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
CCN(CC)C(=O)c1ccc(cc1)C(=C1/C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)\c1ccccc1 |THB:22:21:14.20.15:18.17|
CCN(CC)C(=O)c1ccc(cc1)C(=C1/C[C@@H]2CC[C@H](C1)N2C)\c1ccccc1 |THB:22:21:14.20.15:18.17|
CCN(CC)C(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)\c1ccccc1 |THB:22:21:14.15.20:17.18|
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1cccs1)\c1ccccc1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)\c1ccccc1
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)OC(C)(C)C)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(O)=O
CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](COCc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)OC(C)(C)C)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
CCN(CC)C(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2)\c1ccccc1
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CC=C)CC1)c1ccccc1
[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
CCNC(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2C)\c1ccccc1 |THB:20:19:12.18.13:15.16|
[#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccccc1Cl)\c1ccc(-[#8]-[#6])cc1
CCNC(=O)c1ccc(cc1)C(=C1/C[C@@H]2CC[C@H](C1)N2CC=C)\c1ccccc1 |THB:20:19:12.13.18:16.15|
[#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6])\c1cccc(-[#8]-[#6])c1
[#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1cccs1)\c1cccc(-[#8])c1
[#6]-[#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
[#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6])\c1cccc(-[#8])c1
O=[#6](-[#7]-c1nccs1)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
[#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1cccs1)\c1cccc(-[#8]-[#6])c1
[#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-[#6]-c1ccccc1)\c1ccccc1
[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
[#6]C([#6])([#6])[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
O=[#6](-[#7]-c1ccccc1)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
CCNC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2CCc1c[nH]c2ccccc12)c1ccccc1 |(19.23,1.17,;17.89,1.92,;17.87,3.47,;16.54,4.23,;16.52,5.77,;15.2,3.45,;13.86,4.21,;12.53,3.42,;12.55,1.9,;13.88,1.12,;15.22,1.9,;11.21,1.12,;11.23,-.42,;9.89,-1.19,;9.89,-2.75,;10.67,-1.63,;11.87,-1.63,;12.58,-2.9,;12.56,-1.19,;11.23,-3.51,;11.23,-5.06,;12.56,-5.83,;12.56,-7.38,;13.8,-8.29,;13.32,-9.76,;11.79,-9.76,;10.76,-10.88,;9.26,-10.57,;8.79,-9.1,;9.82,-7.96,;11.31,-8.29,;9.88,1.88,;9.88,3.42,;8.55,4.18,;7.2,3.4,;7.22,1.85,;8.56,1.11,)|
[#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2)\c1ccc(-[#8])cc1
CCNC(=O)c1ccc(cc1)C(=C1/C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)\c1ccccc1 |THB:20:19:12.13.18:16.15|
[#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccccc1Cl)\c1cccc(-[#8])c1
[#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]=[#6])\c1cccc(-[#8])c1
[#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-[#8]-c1ccccc1)\c1ccccc1
[#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccc(-[#8])cc1
[#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1cccs1)\c1ccc(-[#8])cc1
[#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1cccs1)\c1ccc(-[#8]-[#6])cc1
O=[#6](-[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
[#6]-[#8]-[#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
F[#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
CCNC(=O)c1ccc(cc1)C(=C1/C[C@@H]2CC[C@H](C1)N2)\c1ccccc1
CCNC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2Cc1[nH]cnc1C)c1ccccc1 |(19.23,1.17,;17.89,1.92,;17.87,3.47,;16.54,4.23,;16.52,5.77,;15.2,3.45,;15.22,1.9,;13.88,1.12,;12.55,1.9,;12.53,3.42,;13.85,4.21,;11.21,1.12,;11.23,-.41,;12.56,-1.19,;12.58,-2.9,;11.87,-1.63,;10.67,-1.63,;9.89,-2.75,;9.89,-1.19,;11.23,-3.51,;11.23,-5.06,;12.56,-5.83,;13.97,-5.22,;15,-6.36,;14.21,-7.68,;12.71,-7.35,;11.58,-8.38,;9.88,1.88,;9.88,3.42,;8.54,4.18,;7.2,3.4,;7.22,1.85,;8.56,1.11,)|
CCNC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2Cc1cnc[nH]1)c1ccccc1 |(22.69,4.62,;21.34,5.38,;21.33,6.9,;20,7.66,;19.98,9.21,;18.66,6.88,;18.68,5.34,;17.34,4.56,;16.01,5.33,;15.99,6.86,;17.31,7.64,;14.67,4.56,;14.69,3.02,;16.02,2.25,;16.04,.55,;15.33,1.8,;14.13,1.8,;13.35,.69,;13.35,2.24,;14.69,-.08,;14.69,-1.63,;16.02,-2.4,;16.17,-3.92,;17.67,-4.25,;18.46,-2.92,;17.43,-1.78,;13.34,5.33,;12.02,4.54,;10.68,5.3,;10.65,6.85,;12,7.62,;13.34,6.85,)|
CCNC(=O)c1ccc(cc1)C(=C1/C[C@@H]2CC[C@H](C1)N2C)\c1ccccc1 |THB:20:19:12.13.18:16.15|
[#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1cccc(-[#8])c1
[#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-[#8])\c1ccccc1
[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
[#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccccn1)\c1ccccc1
[#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccc(-[#8]-[#6])cc1
[#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]=[#6])\c1cccc(-[#8]-[#6])c1
[#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccccc1Cl)\c1ccc(-[#8])cc1
[#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2)\c1cccc(-[#8]-[#6])c1
[#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-c1cccn1-[#6])\c1ccccc1
O=[#6](-[#7]-[#6]-1-[#6]-[#6]-1)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
CCNC(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2CC=C)\c1ccccc1 |THB:20:19:12.18.13:15.16|
[#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1cccc(-[#8]-[#6])c1
CCNC(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)\c1ccccc1 |THB:20:19:12.18.13:15.16|
[#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccccc1Cl)\c1cccc(-[#8]-[#6])c1
Cc1cc(O)cc(C)c1CC(N)C(=O)NCCCc1nc(O)c(CCCNC(=O)C(N)Cc2c(C)cc(O)cc2C)nc1C
Cc1cc(O)cc(C)c1CC(N)C(=O)NCc1nc(O)c(CNC(=O)C(N)Cc2c(C)cc(O)cc2C)nc1C
Cc1cc(O)cc(C)c1CC(N)C(=O)NCCCCc1nc(O)c(CCCCNC(=O)C(N)Cc2c(C)cc(O)cc2C)nc1C
C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)C(C)(C)C
CC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O
CC(C)C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCCCNC1=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O
CCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCCCNC1=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CNC1=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCCNC1=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
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CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O |wU:72.75,4.4,86.91,61.64,104.110,wD:100.107,23.36,50.53,8.16,37.40,(25.09,-20.82,;25.59,-19.36,;24.58,-18.2,;27.1,-19.07,;27.61,-17.61,;29.12,-17.32,;30.13,-18.49,;29.62,-19.94,;31.64,-18.2,;32.14,-16.74,;31.14,-15.58,;31.64,-14.12,;30.63,-12.96,;29.12,-13.25,;28.62,-14.7,;29.62,-15.87,;32.65,-19.36,;34.16,-19.07,;34.66,-17.61,;35.17,-20.23,;36.68,-19.94,;37.69,-21.11,;37.18,-22.56,;39.2,-20.82,;40.21,-21.98,;39.7,-23.44,;38.23,-23.88,;38.2,-25.42,;39.66,-25.93,;40.26,-27.35,;41.78,-27.54,;42.71,-26.31,;42.11,-24.89,;40.59,-24.7,;39.7,-19.36,;38.7,-18.2,;37.18,-18.49,;39.2,-16.74,;40.71,-16.45,;38.19,-15.58,;38.7,-14.12,;37.69,-12.96,;38.19,-11.5,;39.7,-11.21,;40.21,-9.76,;40.71,-12.38,;40.21,-13.83,;26.6,-16.45,;27.1,-15,;25.09,-16.74,;24.08,-15.58,;24.58,-14.12,;26.09,-13.83,;26.6,-12.38,;28.11,-12.09,;28.62,-10.63,;30.13,-10.34,;27.61,-9.47,;22.57,-15.87,;22.06,-17.32,;21.56,-14.7,;20.05,-15,;19.54,-16.45,;18.03,-16.74,;17.53,-18.2,;16.01,-18.49,;15.51,-19.94,;14,-20.23,;16.52,-21.11,;19.04,-13.83,;19.54,-12.38,;17.53,-14.12,;16.52,-12.96,;17.02,-11.5,;16.01,-10.34,;14.48,-10.47,;13.88,-9.05,;15.04,-8.04,;15.07,-6.5,;16.42,-5.76,;17.74,-6.56,;17.71,-8.1,;16.36,-8.84,;15,-13.25,;14.5,-14.7,;14,-12.09,;12.48,-12.38,;11.98,-13.83,;10.47,-14.12,;9.96,-15.58,;8.45,-15.87,;7.95,-17.32,;6.44,-17.61,;8.96,-18.49,;11.48,-11.21,;11.98,-9.76,;9.96,-11.5,;9.31,-12.9,;7.78,-12.71,;7.49,-11.19,;8.84,-10.45,;9.03,-8.92,;10.45,-8.32,;7.8,-7.99,;7.99,-6.47,;6.76,-5.54,;6.95,-4.01,;5.73,-3.08,;5.92,-1.55,;4.69,-.62,;9.41,-5.87,;10.64,-6.8,;9.6,-4.34,)|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O |wU:4.4,79.83,54.56,8.8,97.102,wD:93.99,65.67,43.45,30.32,(24.46,-20.68,;24.12,-19.17,;22.65,-18.72,;25.25,-18.13,;24.92,-16.63,;26.05,-15.58,;27.52,-16.04,;27.86,-17.54,;28.65,-14.99,;28.31,-13.49,;26.84,-13.03,;25.6,-13.95,;24.35,-13.07,;24.8,-11.59,;24.02,-10.27,;24.77,-8.93,;26.31,-8.91,;27.1,-10.23,;26.34,-11.58,;30.12,-15.45,;31.25,-14.41,;30.91,-12.9,;32.72,-14.86,;33.85,-13.82,;35.32,-14.27,;35.66,-15.78,;36.45,-13.23,;37.92,-13.69,;39.06,-12.64,;38.72,-11.14,;40.53,-13.1,;40.87,-14.6,;41.66,-12.05,;43.13,-12.51,;44.26,-11.47,;45.73,-11.92,;46.07,-13.43,;47.54,-13.88,;44.94,-14.47,;43.47,-14.01,;23.44,-16.17,;23.11,-14.67,;22.31,-17.21,;20.84,-16.76,;20.5,-15.25,;21.64,-14.21,;21.3,-12.71,;22.43,-11.66,;22.09,-10.16,;23.22,-9.12,;20.62,-9.7,;19.71,-17.8,;20.05,-19.3,;18.24,-17.34,;17.11,-18.39,;17.45,-19.89,;16.32,-20.94,;16.66,-22.44,;15.53,-23.48,;15.87,-24.99,;14.73,-26.03,;17.34,-25.44,;15.64,-17.93,;15.3,-16.43,;14.51,-18.98,;13.04,-18.52,;11.91,-19.56,;10.44,-19.11,;9.94,-17.65,;8.4,-17.67,;7.94,-19.14,;6.55,-19.78,;6.4,-21.32,;7.66,-22.21,;9.06,-21.56,;9.2,-20.03,;12.7,-17.02,;11.23,-16.56,;13.83,-15.97,;13.49,-14.47,;12.02,-14.01,;11.68,-12.51,;10.21,-12.05,;9.87,-10.55,;8.4,-10.09,;8.06,-8.59,;7.27,-11.14,;14.62,-13.43,;16.09,-13.88,;14.28,-11.92,;12.87,-11.31,;13.01,-9.78,;14.51,-9.44,;15.3,-10.77,;16.83,-10.91,;17.48,-12.31,;17.72,-9.65,;19.25,-9.79,;20.14,-8.53,;21.68,-8.68,;22.57,-7.42,;24.1,-7.56,;24.99,-6.3,;19.9,-11.19,;19.01,-12.45,;21.43,-11.33,)|
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O |wU:4.4,76.79,51.52,94.98,wD:90.95,62.63,40.41,8.16,27.28,(-1.12,-19.2,;-1.46,-17.7,;-2.93,-17.24,;-.32,-16.66,;-.66,-15.15,;.47,-14.11,;1.94,-14.57,;2.28,-16.07,;3.07,-13.52,;2.73,-12.02,;1.26,-11.56,;.92,-10.06,;-.55,-9.6,;-1.68,-10.65,;-1.34,-12.15,;.13,-12.61,;4.54,-13.98,;5.67,-12.93,;5.33,-11.43,;7.14,-13.39,;8.27,-12.35,;9.74,-12.8,;10.08,-14.3,;10.87,-11.76,;12.34,-12.21,;13.48,-11.17,;13.14,-9.67,;14.95,-11.63,;15.29,-13.13,;16.08,-10.58,;17.55,-11.04,;18.68,-9.99,;20.15,-10.45,;20.49,-11.95,;21.96,-12.41,;19.36,-13,;17.89,-12.54,;-2.13,-14.7,;-2.47,-13.19,;-3.27,-15.74,;-4.74,-15.28,;-5.08,-13.78,;-3.94,-12.74,;-4.28,-11.23,;-3.15,-10.19,;-3.49,-8.69,;-2.36,-7.64,;-4.96,-8.23,;-5.87,-16.33,;-5.53,-17.83,;-7.34,-15.87,;-8.47,-16.92,;-8.13,-18.42,;-9.26,-19.46,;-8.92,-20.97,;-10.05,-22.01,;-9.71,-23.51,;-10.84,-24.56,;-8.24,-23.97,;-9.94,-16.46,;-10.28,-14.96,;-11.07,-17.5,;-12.54,-17.05,;-13.67,-18.09,;-15.14,-17.64,;-15.64,-16.18,;-17.18,-16.2,;-17.64,-17.67,;-19.03,-18.31,;-19.18,-19.84,;-17.92,-20.73,;-16.52,-20.09,;-16.38,-18.56,;-12.88,-15.55,;-14.35,-15.09,;-11.75,-14.5,;-12.09,-13,;-13.56,-12.54,;-13.9,-11.04,;-15.37,-10.58,;-15.71,-9.08,;-17.18,-8.62,;-17.52,-7.12,;-18.31,-9.67,;-10.96,-11.95,;-9.49,-12.41,;-11.3,-10.45,;-12.71,-9.84,;-12.57,-8.31,;-11.07,-7.97,;-10.28,-9.29,;-8.75,-9.43,;-8.1,-10.83,;-7.86,-8.18,;-6.33,-8.32,;-5.44,-7.06,;-3.9,-7.2,;-3.01,-5.95,;-1.48,-6.09,;-.59,-4.83,;-5.68,-9.72,;-6.57,-10.98,;-4.15,-9.86,)|
CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O |wU:103.111,4.4,26.40,89.95,64.68,8.8,wD:75.79,53.57,107.114,40.44,(34.18,-21.17,;33.84,-19.67,;32.37,-19.21,;34.97,-18.62,;34.63,-17.12,;35.76,-16.08,;37.23,-16.53,;37.57,-18.04,;38.36,-15.49,;38.02,-13.99,;36.55,-13.53,;35.32,-14.45,;34.06,-13.56,;34.52,-12.09,;33.73,-10.77,;34.49,-9.42,;36.03,-9.4,;36.81,-10.73,;36.06,-12.07,;39.83,-15.95,;40.97,-14.9,;40.63,-13.4,;42.44,-15.36,;43.57,-14.31,;45.04,-14.77,;45.38,-16.27,;46.17,-13.73,;45.83,-12.22,;44.36,-11.77,;43.12,-12.69,;41.87,-11.8,;42.32,-10.33,;41.54,-9,;42.29,-7.66,;43.83,-7.64,;44.62,-8.96,;43.86,-10.31,;47.64,-14.18,;48.77,-13.14,;48.43,-11.64,;50.24,-13.59,;50.58,-15.1,;51.37,-12.55,;52.84,-13.01,;53.97,-11.96,;55.44,-12.42,;55.78,-13.92,;57.25,-14.38,;54.65,-14.97,;53.18,-14.51,;33.16,-16.66,;32.82,-15.16,;32.03,-17.71,;30.56,-17.25,;30.22,-15.75,;31.35,-14.7,;31.01,-13.2,;32.14,-12.16,;31.8,-10.66,;32.93,-9.61,;30.33,-10.2,;29.43,-18.3,;29.77,-19.8,;27.96,-17.84,;26.83,-18.88,;27.16,-20.39,;26.03,-21.43,;26.37,-22.93,;25.24,-23.98,;25.58,-25.48,;24.45,-26.53,;27.05,-25.94,;25.35,-18.43,;25.02,-16.93,;24.22,-19.47,;22.75,-19.02,;21.62,-20.06,;20.15,-19.6,;19.66,-18.14,;18.12,-18.16,;17.66,-19.63,;16.26,-20.28,;16.12,-21.81,;17.38,-22.7,;18.78,-22.06,;18.92,-20.52,;22.41,-17.51,;20.94,-17.06,;23.54,-16.47,;23.21,-14.97,;21.73,-14.51,;21.4,-13.01,;19.92,-12.55,;19.59,-11.05,;18.11,-10.59,;17.78,-9.09,;16.98,-11.64,;24.34,-13.92,;24,-12.42,;25.81,-14.38,;26.3,-15.84,;27.84,-15.82,;28.3,-14.35,;27.04,-13.46,;27.02,-11.92,;25.68,-11.16,;28.35,-11.13,;28.33,-9.59,;29.65,-8.8,;29.63,-7.26,;30.95,-6.48,;30.93,-4.94,;32.26,-4.15,;26.98,-8.84,;25.66,-9.62,;26.96,-7.3,)|
CCOc1ccc(Cc2nc3cc(NC(=O)\C=C\C(=O)OC)ccc3n2CCN(CC)CC)cc1
CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)N=C=S)cc1
COC(=O)\C=C\C(=O)N[C@H]1C[C@]23C=C[C@]1(OC)[C@@H]1Oc4c5c(CC2N(C)CCC315)ccc4O |wD:17.18,11.11,9.8,14.15,c:12,TLB:19:20:11:24.27.26,12:11:20.21.22:24.27.26,25:24:11:20.21.22,(25.56,-19.2,;25.95,-17.71,;24.85,-16.61,;25.24,-15.13,;23.37,-17.03,;22.98,-18.54,;21.48,-18.96,;21.09,-20.46,;20.36,-17.87,;18.81,-17.87,;18.06,-16.6,;16.52,-16.57,;17.86,-17.35,;16.71,-18.44,;18.06,-19.22,;18.83,-20.51,;18.81,-22.06,;16.49,-19.19,;14.87,-20.06,;13.45,-19.12,;14.22,-17.81,;13.48,-16.51,;14.28,-15.18,;15.8,-15.21,;15.77,-13.66,;17.12,-12.87,;14.84,-15.74,;15.55,-16.47,;15.74,-17.84,;11.95,-16.47,;11.16,-17.73,;11.9,-19.09,;11.09,-20.39,)|
CCC(=O)N(C1CCN(CCc2ccc(NC(=O)CBr)cc2)CC1)c1ccccc1
CCOc1ccc(Cc2nc3cc(NC(=O)CBr)ccc3n2CCN(CC)CC)cc1
CO[C@]12C=C[C@@]3(C[C@@H]1NC(=O)CBr)C1Cc4ccc(O)c5O[C@@H]2C3(CCN1C)c45 |wD:22.22,5.4,7.8,2.1,c:3,TLB:20:28:5:26.24.25,27:26:5:28.15.14,THB:4:5:28.15.14:26.24.25,(18.84,-22.1,;18.86,-20.54,;18.08,-19.25,;16.74,-18.47,;17.89,-17.37,;16.54,-16.6,;18.08,-16.63,;18.84,-17.9,;20.39,-17.9,;21.51,-18.99,;21.12,-20.49,;23.01,-18.57,;24.11,-19.65,;15.82,-15.24,;14.3,-15.2,;13.5,-16.53,;11.97,-16.5,;11.17,-17.76,;11.92,-19.12,;11.11,-20.42,;13.47,-19.15,;14.89,-20.09,;16.51,-19.22,;15.77,-17.87,;15.57,-16.5,;14.86,-15.77,;15.8,-13.68,;17.15,-12.89,;14.25,-17.84,)|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCNC(=O)CC[C@H](NC(=O)CNC1=O)C(N)=O |r|
Oc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)C(N(CC5CC5)CCC314)C2=O |TLB:14:13:5.24.4:16.22.21,6:5:13:16.22.21,THB:25:24:13:16.22.21|
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O |TLB:14:12:8.9.10:1.3.2,THB:13:12:8.9.10:1.3.2|
[H][C@@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)N[C@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:62:61:45:63.49.48,THB:9:8:13:4.5.6|
[H][C@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@]5(O)CC[C@H]2NC(=O)CCC(=O)N[C@@H]1CC[C@]2(O)[C@H]4Cc5ccc(O)c6O[C@@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:46:45:29:47.33.32,THB:9:8:13:4.5.6|
[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC1CC1)c56)ccc3O |TLB:73:72:56:77.60.59,THB:9:8:16:4.5.6|
[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CNC(=O)CCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC1CC1)c56)ccc3O |TLB:57:56:40:61.44.43,THB:9:8:16:4.5.6|
[H][C@@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@@]5(O)CC[C@H]2NC(C)=O)ccc3O |THB:9:8:13:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(C)=O)ccc3O |r,THB:10:9:4.5.6:17|
[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC1CC1)c56)ccc3O |TLB:49:48:32:53.36.35,THB:9:8:16:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(C)=O)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CNC(=O)CCC(=O)NCC(=O)N[C@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:54:53:37:55.41.40,THB:9:8:13:4.5.6|
[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC1CC1)c56)ccc3O |TLB:65:64:48:69.52.51,THB:9:8:16:4.5.6|
[H][C@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@]5(O)CC[C@H]2NC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@]2(O)[C@H]4Cc5ccc(O)c6O[C@@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:62:61:45:63.49.48,THB:9:8:13:4.5.6|
[H][C@@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CCC(=O)N[C@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:46:45:29:47.33.32,THB:9:8:13:4.5.6|
[H][C@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@]5(O)CC[C@H]2NC(=O)CNC(=O)CCC(=O)NCC(=O)N[C@@H]1CC[C@]2(O)[C@H]4Cc5ccc(O)c6O[C@@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:54:53:37:55.41.40,THB:9:8:13:4.5.6|
[H][C@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@]5(O)CC[C@H]2NC(=O)CNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@]2(O)[C@H]4Cc5ccc(O)c6O[C@@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:70:69:53:71.57.56,THB:9:8:13:4.5.6|
[H][C@@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:70:69:53:71.57.56,THB:9:8:13:4.5.6|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O |wU:100.107,4.4,72.75,86.91,61.64,19.20,wD:50.53,104.110,8.8,37.40,(29.76,-16.76,;29.43,-15.26,;27.96,-14.79,;30.57,-14.22,;30.25,-12.72,;31.39,-11.68,;32.85,-12.15,;33.18,-13.66,;33.99,-11.12,;33.67,-9.61,;32.2,-9.14,;31.87,-7.64,;30.41,-7.17,;29.27,-8.2,;29.59,-9.71,;31.06,-10.18,;35.46,-11.59,;36.6,-10.55,;36.27,-9.05,;38.07,-11.02,;39.21,-9.99,;40.67,-10.46,;41.15,-11.92,;42.69,-11.92,;43.16,-10.45,;44.57,-9.82,;44.72,-8.29,;43.48,-7.39,;42.07,-8.02,;41.92,-9.55,;38.39,-12.53,;37.25,-13.56,;35.79,-13.09,;37.58,-15.07,;36.44,-16.1,;36.76,-17.61,;38.23,-18.08,;35.62,-18.64,;34.16,-18.17,;35.95,-20.15,;34.81,-21.18,;35.13,-22.69,;33.99,-23.72,;32.53,-23.25,;31.39,-24.29,;32.2,-21.75,;33.34,-20.71,;28.78,-12.25,;28.45,-10.74,;27.64,-13.28,;26.17,-12.81,;25.85,-11.31,;26.99,-10.27,;26.66,-8.77,;25.19,-8.3,;24.87,-6.79,;26.01,-5.76,;23.4,-6.32,;25.03,-13.85,;25.36,-15.35,;23.56,-13.38,;22.42,-14.41,;22.75,-15.92,;21.61,-16.95,;21.94,-18.46,;20.8,-19.49,;21.12,-21,;19.98,-22.03,;22.59,-21.47,;20.96,-13.94,;20.63,-12.44,;19.82,-14.98,;18.35,-14.51,;18.51,-12.97,;17.26,-12.07,;15.79,-12.55,;14.88,-11.31,;15.78,-10.06,;15.46,-8.56,;16.6,-7.52,;18.07,-7.99,;18.39,-9.5,;17.25,-10.53,;17.21,-15.54,;17.54,-17.05,;15.74,-15.07,;14.6,-16.1,;14.93,-17.61,;13.79,-18.64,;14.11,-20.15,;12.97,-21.18,;13.3,-22.69,;12.16,-23.72,;14.77,-23.16,;13.14,-15.63,;12,-16.67,;12.81,-14.13,;13.84,-12.98,;13.06,-11.65,;11.56,-11.98,;11.4,-13.51,;10.07,-14.28,;10.08,-15.82,;8.73,-13.52,;7.4,-14.29,;6.07,-13.53,;4.74,-14.3,;3.4,-13.54,;2.07,-14.31,;.73,-13.55,;7.41,-15.83,;8.75,-16.6,;6.08,-16.61,)|
C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r|
C[C@@H](O)[C@H](NC(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O |r|
CN1CCCC(C)(C1)c1cccc(O)c1
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])CC[C@@H]2O)ccc3O |TLB:10:9:14:4.5.6|
CC1(CCCN(CC=C)C1)c1cccc(O)c1
CC1(CCCN(CCc2ccccc2)C1)c1cccc(O)c1
C[C@@H](O)[C@H](NC(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O
[H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC(C)(C)[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@H]1Cc2ccccc2CN1)[C@@H](C)O
C[C@@H](O)[C@H](NC(=O)[C@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(N)=O
C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC(C)(C)[C@H](NC1=O)C(=O)N[C@@H](CO)C(N)=O)NC(=O)[C@H]1Cc2ccccc2CN1
[H][C@]1(NC(=O)[C@H](CCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC(C)(C)[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN)[C@@H](C)O
C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC(C)(C)[C@H](NC1=O)C(=O)N[C@@H](CC(O)=O)C(N)=O)NC(=O)[C@H](N)Cc1ccccc1
[H][C@]1(NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC(C)(C)[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@@H]1Cc2ccccc2CN1)[C@@H](C)O |wU:66.69,16.16,30.32,57.62,5.5,wD:49.56,56.59,42.66,76.83,1.0,(-3.25,5.4,;-1.52,4.68,;-2.9,3.98,;-3.98,2.9,;-4.98,3.62,;-4.69,1.52,;-6.16,2.01,;-6.47,3.51,;-7.94,3.99,;-8.26,5.5,;-9.72,5.98,;-9.98,7.18,;-10.64,5.15,;-4.93,,;-4.69,-1.52,;-5.86,-1.9,;-3.98,-2.89,;-5.24,-3.8,;-6.65,-3.17,;-6.95,-1.67,;-8.45,-1.51,;-9.09,-2.91,;-10.57,-3.36,;-10.9,-4.88,;-9.77,-5.92,;-8.27,-5.46,;-7.96,-3.95,;-2.9,-3.98,;-1.52,-4.68,;-1.9,-5.85,;,-4.92,;-0,-6.47,;-1.34,-7.24,;-1.35,-8.78,;-2.68,-9.55,;-4.01,-8.77,;-5.08,-9.39,;-4.01,-7.23,;-2.67,-6.47,;1.52,-4.68,;2.89,-3.98,;3.62,-4.98,;3.98,-2.89,;4.68,-1.52,;4.92,,;4.68,1.52,;3.98,2.9,;3.78,4.11,;5.08,2.33,;2.89,3.98,;1.52,4.68,;,4.92,;,6.15,;3.8,5.24,;5.03,5.11,;3.17,6.65,;4.08,7.9,;5.61,7.73,;6.33,8.73,;6.11,6.61,;3.45,9.3,;2.22,9.43,;4.17,10.3,;5.23,-3.81,;5.07,-5.34,;3.95,-5.84,;6.32,-6.25,;6.16,-7.79,;7.4,-8.7,;7.24,-10.23,;8.49,-11.13,;9.89,-10.51,;10.05,-8.98,;8.81,-8.08,;8.97,-6.54,;7.72,-5.62,;-2,6.16,;-1.18,7.07,;-3.21,6.41,)|
[H][C@](NC(=O)[C@@]1([H])NC(=O)[C@@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@]([H])(CSSC1(C)C)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O)([C@@H](C)O)C(N)=O |r|
C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC(C)(C)[C@H](NC1=O)C(=O)N[C@@H](CC(N)=O)C(N)=O)NC(=O)[C@H](N)Cc1ccccc1
C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC(C)(C)[C@H](NC1=O)C(=O)N[C@@H](CO)C(N)=O)NC(=O)[C@H](N)Cc1ccccc1
C[C@@H](O)[C@H](NC(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O
CN[C@H](Cc1ccccc1)C(=O)N[C@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
[H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC(C)(C)[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@@H]1Cc2ccccc2CN1)[C@@H](C)O
C[C@@H](O)[C@H](NC(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O
C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC(C)(C)[C@H](NC1=O)C(N)=O)NC(=O)[C@H](N)Cc1ccccc1
C[C@@H](O)[C@H](NC(=O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(N)=O
C[C@@H](O)[C@H](NC(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(N)=O
C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC(C)(C)[C@H](NC1=O)C(N)=O)NC(=O)[C@H](N)Cc1ccccc1
CC(C)[C@H](NC(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@H]1Cc2ccccc2CN1)[C@@H](C)O)C(N)=O
CC[C@@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)OC |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCC/N=C(N)\N)NC(=O)[C@H](CCC/N=C(N)\N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)N/N=C\2CC[C@@]3(O)[C@H]4Cc6ccc(O)c7O[C@@H]2[C@]3(CCN4CC5CC5)c67)C(=O)OC
CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)NN=C1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1C2(CCN3C)c45)C(O)=O |r,w:20.20,TLB:33:41:24:37.38.39,25:24:37.38.39:27.28.41,40:39:24:27.28.41|
CC[C@H](C)[C@H](NC(=O)[C@H](CCC/N=C(N)\N)NC(=O)[C@H](CCC/N=C(N)\N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)N/N=C\2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H]2[C@]3(CCN4C)c56)C(=O)OC
NC(=O)NN=C1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1C2(CCN3CC1CC1)c45 |w:4.3,TLB:24:23:8:28.12.11,17:28:8:23.21.22,9:8:28.12.11:23.21.22|
CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)CCC4=NNC(N)=O)ccc5O |r,w:17.21,TLB:13:12:1.2.3:9.10.8,THB:0:1:12:9.10.8,7:8:1.2.3:12|
CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)NN=C1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1C2(CCN3CC1CC1)c45)C(O)=O |r,w:20.20,TLB:33:44:24:37.38.39,25:24:37.38.39:27.28.44,40:39:24:27.28.44|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCC(=O)NCC(=O)NCC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)CC[C@@H]4NC(C)=O)ccc5O |TLB:21:9:12:1.3.2,7:8:12:1.3.2|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCC(=O)N[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |THB:41:49:32:47.45.46,37:36:32:47.45.46|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCC(=O)NCC(=O)NCC(=O)N[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |THB:45:44:40:55.53.54,49:57:40:55.53.54|
CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)CC[C@@H]4NC(=O)CNC(=O)CNC(C)=O)ccc5O |TLB:29:9:12:1.3.2,7:8:12:1.3.2|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
C[S+]([O-])CC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O
COC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1
[#6][S+]([#8-])[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O
[#6]-[#8]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6][S+]([#6])[#8-])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)\[#7]=[#6](/[#7])-[#7]
COC(=O)CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1
CN(CC(O)=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O |r|
CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
CN(CC(N)=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1
[#6]-[#8]-[#6](=O)-[#6]-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6][S+]([#6])[#8-])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)\[#7]=[#6](/[#7])-[#7]
CNC(=N)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC[S+](C)[O-])C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)C(=O)OC
C[S+]([O-])CC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
COC(=O)C(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1
C[C@@H](O)[C@H](NC(=O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@H]1Cc2ccccc2CN1)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC2(CCCCC2)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N[C@H](CS)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC2(CCCCC2)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CSSC11CCCCC1)C(O)=O
[H][C@]1(NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)[C@@H](CSSC(C)(C)[C@@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CN1CCC[C@@]11CCCC[C@@H]1NC(=O)c1ccc(Br)cc1
CN([C@H]1CCCC[C@@]11CCCN1C)C(=O)c1ccc(Br)cc1C
CN([C@H]1CCCC[C@@]11CCCN1C)C(=O)c1ccc(Br)cc1Cl
CN1CCC[C@@]11CCCC[C@@H]1NC(=O)c1cccc(Br)c1
CN1CCC[C@@]11CCCC[C@@H]1NC(=O)Cc1ccc(Cl)c(Cl)c1
CN1CCC[C@@]11CCCC[C@@H]1NC(=O)c1ccccc1Br
CN([C@H]1CCCC[C@@]11CCCN1C)C(=O)c1ccc(C)cc1
CN1CCC[C@@]11CCCC[C@@H]1NC(=O)c1ccc(F)cc1
CC(C)CN([C@H]1CCCC[C@@]11CCCN1C)C(=O)c1ccc(Br)cc1
CN1CCC[C@@]11CCCC[C@@H]1N(CC1CC1)C(=O)c1ccc(Br)cc1
CN([C@H]1CCCC[C@@]11CCCN1C)C(=O)Cc1ccc(Cl)c(Cl)c1
CN([C@H]1CCCC[C@@]11CCCN1C)C(=O)c1ccc(Br)c(Br)c1
CN1CCC[C@@]11CCCC[C@@H]1NC(=O)c1ccc(Cl)c(Cl)c1
CN1CCC[C@@]11CCCC[C@@H]1NC(=O)CCc1ccccc1
CN1CCC[C@@]11CCCC[C@@H]1NS(=O)(=O)c1ccc(Br)cc1
COc1ccc(cc1)C(=O)N[C@H]1CCCC[C@@]11CCCN1C
CN([C@H]1CCCC[C@@]11CCCN1C)C(=O)c1ccc(Cl)c(Cl)c1
CN1CCC[C@@]11CCCC[C@@H]1NC(=O)Cc1ccc(Br)cc1
CN1CCC[C@@]11CCCC[C@@H]1NC(=O)c1ccc(Cl)cc1
CC(C)(S)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)(C)S)C(O)=O
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |r|
Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2c(Br)cccc2c1C[C@@]35O |TLB:17:18:30:7.13.12,3:4:30:7.13.12|
Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(F)cc2c1C[C@@]35O |TLB:17:18:30:7.13.12,3:4:30:7.13.12|
Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2c(F)cccc2c1C[C@@]35O |TLB:17:18:30:7.13.12,3:4:30:7.13.12|
Oc1ccc2CC3N(CC=C)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |TLB:3:4:28:7.12.11,16:17:28:7.12.11|
Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1-c1ccccc1 |TLB:17:18:22:7.13.12,3:4:22:7.13.12|
COc1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)[C@]4(CCN5CC1CC1)c67 |THB:18:32:9:27.25.26,14:13:9:27.25.26|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccc(O)cc1)N(CC=C)CC=C)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r|
Cn1c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc2c2ccccc12)ccc4O |TLB:28:7:18:10.16.15,5:6:18:10.16.15|
CC1C(C(=O)N(C)[C@H]2CCC3(CCCO3)C[C@@H]2N2CCCC2)c2cccc3cccc1c23
Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1sc2[C@@H]4Oc6c7c(CC8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |TLB:3:4:43:7.13.12,45:26:37:29.35.34,17:18:43:7.13.12,24:25:37:29.35.34|
Cn1c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc2c2C[C@@]3(O)C5Cc6ccc(O)c7O[C@@H](c12)[C@]3(CCN5CC1CC1)c67)ccc4O |TLB:46:7:18:10.16.15,5:6:18:10.16.15,THB:29:28:24:40.38.39,33:45:24:40.38.39|
Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C1=C(C[C@@]35O)C(C2=C(O1)[C@@H]1Oc3c4c(CC5N(CC6CC6)CC[C@@]14[C@@]5(O)C2)ccc3O)c1ccccc1 |c:23,31,TLB:3:4:22:7.13.12,46:32:43:35.41.40,30:31:43:35.41.40,17:18:22:7.13.12|
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(O)=O
CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(N)=O
CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(O)=O
CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(O)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(O)=O
CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=CC[C@@]35O)c1c[nH]c2ccccc12 |c:23,TLB:17:18:22:7.13.12,3:4:22:7.13.12|
Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1oc2ccccc2c1C[C@@]35O |TLB:3:4:29:7.13.12,17:18:29:7.13.12|
[H][C@@]1(NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC1=O)C(O)=O)[C@@H](C)c1ccc(cc1)[N+]([O-])=O
[H][C@@]1(NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC1=O)C(O)=O)[C@@H](C)c1ccccc1
[H][C@@]1(NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC1=O)C(O)=O)[C@H](C)c1ccccc1
[H][C@]1(NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC1=O)C(O)=O)[C@H](C)c1ccc(cc1)[N+]([O-])=O
Clc1ccc(CC(=O)N2CCc3ccccc3C2CN2CCCC2)cc1Cl
Clc1ccc(CC(=O)N2CCc3[nH]c4ccccc4c3C2CN2CCCC2)cc1Cl
CN([C@H]1CC2(CC[C@@H]1N1CCCC1)OCCO2)C(=O)Cc1ccc(Cl)c(Cl)c1
CN([C@H]1C[C@]2(CC(=C)C(=O)O2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
CN([C@H]1CC(=O)CC[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
CN([C@H]1C[C@@]2(CC(=C)C(=O)O2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
CN([C@H]1CCC2(C[C@@H]1N1CCCC1)OCCO2)C(=O)Cc1ccc(Cl)c(Cl)c1
CC(=O)O[C@]12CC[C@@H](OC[C@@H]3CC(=C)C(=O)O3)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O
CC(=O)O[C@]12CC[C@@H](OC[C@H]3CC(=C)C(=O)O3)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2OCCN=S)ccc3O |r,THB:10:9:4.5.6:17|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OC[C@@H]1CC(=C)C(=O)O1
O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OC[C@H]1CC(=C)C(=O)O1
COC(=O)C(=C)CO[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OC[C@H]1CO1
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OC[C@@H]1CO1
Oc1ccc2CC3NCC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@H]35 |TLB:3:4:25:7.9.8,13:14:25:7.9.8|
Oc1ccc2CC3NCC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |TLB:3:4:25:7.9.8,13:14:25:7.9.8|
Oc1ccc2CC3N(CCc4ccccc4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |TLB:3:4:33:7.17.16,21:22:33:7.17.16|
Oc1ccc2CC3[C@@H]4Cc5c([nH]c6ccccc56)[C@@H]5Oc1c2[C@]45CCN3CCc1ccccc1 |THB:3:4:7:25.23.24,20:21:7:25.23.24|
Oc1ccc2CC3[C@@H]4Cc5c([nH]c6ccccc56)[C@@H]5Oc1c2[C@]45CCN3C\C=C\c1ccccc1 |THB:3:4:7:25.23.24,20:21:7:25.23.24|
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@](C)(Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CC1(C)SSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
NCCN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c2C[C@@]3(O)[C@H]6Cc7ccc(O)c8O[C@@H](c2[nH]c41)[C@]3(CCN6CC1CC1)c78)ccc5O
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C=C8N(CCNC(=O)OCc9ccccc9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |t:31,TLB:54:26:46:29.44.43,24:25:46:29.44.43|
NC(=N)NCCN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c2C[C@@]3(O)[C@H]6Cc7ccc(O)c8O[C@@H](c2[nH]c41)C3(CCN6CC1CC1)c78)ccc5O |THB:42:41:23:46.27.26|
NCC(=O)NCC(=O)N1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c2C[C@@]3(O)[C@H]6Cc7ccc(O)c8O[C@@H](c2[nH]c41)[C@]3(CCN6CC1CC1)c78)ccc5O
CCCCN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c2C[C@@]3(O)[C@H]6Cc7ccc(O)c8O[C@@H](c2[nH]c41)[C@]3(CCN6CC1CC1)c78)ccc5O
CN([C@H](CN1CCCC1)c1cccc(c1)N=C=S)C(=O)Cc1ccc(Cl)c(Cl)c1
CC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)O
CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)NC(=O)CS)ccc5O |TLB:22:9:12:1.3.2,7:8:12:1.3.2|
C[C@H]([C@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C)c1c(C)cc(O)cc1C
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)N)C(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)[C@@H](C)c1c(C)cc(O)cc1C)C(C)C)C(=O)NCC(N)=O
CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@H](C)N(CC=C)C[C@H]1C)c1cccc(OC)c1 |r|
CCN(CC)C(=O)c1ccc(cc1)C(N1CC(C)N(CC=C)CC1C)c1cccc(O)c1
CCN(CC)C(=O)c1ccc(cc1)[C@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1
CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(cc1)N=C=S
CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r|
CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccccc1N=C=S
CN([C@H](CN1CCCC1)c1ccc(cc1)N=C=S)C(=O)Cc1ccc(Cl)c(Cl)c1
CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1cc(Cl)c(Cl)cc1N=C=S
CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1cccc(c1)N=C=S
CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccccc1
Oc1cccc2c1O[C@H]1C(=O)CC[C@@H]3CN(CC4CC4)CC[C@]213
Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213
Oc1cccc2c1O[C@H]1C(=O)CC[C@H]3CN(CC4CC4)CC[C@]213
O[C@H]1CC[C@H]2CN(CC3CC3)CC[C@]22[C@H]1Oc1c2cccc1O
COc1cccc2c1O[C@H]1[C@@H](O)CC[C@H]3CN(CC4CC4)CC[C@]213
CN1CC[C@@]23[C@@H](Oc4c2cccc4O)C(=O)CC[C@H]3C1
O[C@@H]1CC[C@@H]2CN(CC3CC3)CC[C@]22[C@H]1Oc1c2cccc1O
COc1cccc2c1O[C@H]1C(=O)CC[C@H]3CN(CC4CC4)CC[C@]213
COc1cccc(c1)[C@]12CCN(C)[C@H](CC(=O)C1)C2 |r|
CN1CC[C@@]2(C[C@H]1C(=Cc1ccccc1)C(=O)C2)c1cccc(O)c1 |r,w:8.9|
CN1CC[C@@]2(C[C@H]1C(=Cc1ccc(Cl)c(Cl)c1)C(=O)C2)c1cccc(O)c1 |r,w:8.9|
CN1CCC2(CC1CC(=O)C2)c1cccc(O)c1
CN1CC[C@@]2(C[C@@H]1C(=Cc1ccc(Cl)c(Cl)c1)C(=O)C2)c1cccc(O)c1 |w:8.9|
CCCCCCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:6:7:12:22.16.15,THB:21:22:12:7.9.8|
CCCCCCCCCN1CC[C@@]2(C)[C@H](C)C1Cc1ccc(O)cc21 |TLB:8:9:14:24.18.17,THB:23:24:14:9.11.10|
CCCCCCCCCCN1CC[C@@]2(C)[C@H](C)C1Cc1ccc(O)cc21 |TLB:9:10:15:25.19.18,THB:24:25:15:10.12.11|
CCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:1:2:7:17.11.10,THB:16:17:7:2.4.3|
CCCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:3:4:9:19.13.12,THB:18:19:9:4.6.5|
CCCN1CC[C@]2(C)[C@H](C)C1Cc1ccc(O)cc21 |TLB:2:3:8:18.12.11,THB:17:18:8:3.5.4|
CCCCN1CC[C@]2(C)[C@H](C)C1Cc1ccc(O)cc21 |TLB:3:4:9:19.13.12,THB:18:19:9:4.6.5|
CCCCCN1CC[C@]2(C)[C@H](C)C1Cc1ccc(O)cc21 |TLB:4:5:10:20.14.13,THB:19:20:10:5.7.6|
CCCCCCN1CC[C@]2(C)[C@H](C)C1Cc1ccc(O)cc21 |TLB:5:6:11:21.15.14,THB:20:21:11:6.8.7|
CCCCCCCCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:8:9:14:24.18.17,THB:23:24:14:9.11.10|
CCCCCCCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:7:8:13:23.17.16,THB:22:23:13:8.10.9|
CCCCCCCCN1CC[C@@]2(C)[C@H](C)C1Cc1ccc(O)cc21 |TLB:7:8:13:23.17.16,THB:22:23:13:8.10.9|
C[C@@H]1C2Cc3ccc(O)cc3[C@]1(C)CCN2 |TLB:9:10:1:15.13.14|
C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2C |TLB:9:10:1:15.13.14,16:15:1:10.4.3|
C[C@@H]1C2Cc3ccc(O)cc3[C@]1(C)CCN2C |TLB:9:10:1:15.13.14,16:15:1:10.4.3|
CCCCCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:5:6:11:21.15.14,THB:20:21:11:6.8.7|
C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2 |TLB:9:10:1:15.13.14|
CCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:2:3:8:18.12.11,THB:17:18:8:3.5.4|
CCCCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:4:5:10:20.14.13,THB:19:20:10:5.7.6|
CCCCCCCN1CC[C@@]2(C)[C@H](C)C1Cc1ccc(O)cc21 |TLB:6:7:12:22.16.15,THB:21:22:12:7.9.8|
CCCCCCCCCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:9:10:15:25.19.18,THB:24:25:15:10.12.11|
CCN1CC[C@]2(C)[C@H](C)C1Cc1ccc(O)cc21 |TLB:1:2:7:17.11.10,THB:16:17:7:2.4.3|
[H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)[C@@]([H])([#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#16]-[#6]-[#6]-[#16]-[#6]-[#6@@H](-[#7]-[#6]2=O)-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)[#6@@H](-[#6])-[#6]-[#6]
[H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)[C@]([H])([#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#16]-[#6]-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6]2=O)-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)[#6@@H](-[#6])-[#6]-[#6]
[H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)[C@@]([H])([#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)C([#6])([#6])[#16]-[#6]-[#6]-[#16]-[#6]-[#6@@H](-[#7]-[#6]2=O)-[#6](-[#7])=O)[#6@@H](-[#6])-[#6]-[#6]
[H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)[C@@]([H])([#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)C([#6])([#6])[#16]-[#6]-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6]2=O)-[#6](-[#7])=O)[#6@@H](-[#6])-[#6]-[#6]
[H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)[C@@]([H])([#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)C([#6])([#6])[#16]-[#6]-[#6]-[#16]C([#6])([#6])[#6@@H](-[#7]-[#6]2=O)-[#6](-[#7])=O)[#6@@H](-[#6])-[#6]-[#6]
CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SCCSC(C)(C)[C@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCCN)C(N)=O
[H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)[C@@]([H])([#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)C([#6])([#6])[#16]-[#6]-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6]2=O)-[#6](-[#7])=O)[#6@@H](-[#6])-[#6]-[#6]
[H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)[C@@]([H])([#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#16]-[#6]-[#6]-[#16]C([#6])([#6])[#6@@H](-[#7]-[#6]2=O)-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)[#6@@H](-[#6])-[#6]-[#6]
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CSCCSC(C)(C)[C@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
[H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)[C@@]([H])([#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#16]-[#6]-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6]2=O)-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)[#6@@H](-[#6])-[#6]-[#6]
[H][C@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)[C@]([H])([#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)C([#6])([#6])[#16]-[#6]-[#6]-[#16]C([#6])([#6])[#6@@H](-[#7]-[#6]2=O)-[#6](-[#7])=O)[#6@@H](-[#6])-[#6]-[#6]
[H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)[C@@]([H])([#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#6]-[#6]-[#16]C([#6])([#6])[#6@H](-[#7]-[#6]2=O)-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)[#6@@H](-[#6])-[#6]-[#6]
[H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)[C@@]([H])([#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#6]-[#6]-[#16]C([#6])([#6])[#6@@H](-[#7]-[#6]2=O)-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)[#6@@H](-[#6])-[#6]-[#6]
[H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)[C@@]([H])([#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#6]-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6]2=O)-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)[#6@@H](-[#6])-[#6]-[#6]
[H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)[C@@]([H])([#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)C([#6])([#6])[#16]-[#6]-[#6]-[#16]C([#6])([#6])[#6@H](-[#7]-[#6]2=O)-[#6](-[#7])=O)[#6@@H](-[#6])-[#6]-[#6]
CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SCCSC[C@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O
Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@H](CCC35O)OCc1c2ccccc2cc2ccccc12 |r,TLB:23:22:18.4.5:7.13.12,THB:8:7:22:18.4.5,17:18:22:7.13.12,21:22:18.4.5:7.13.12|
Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@H](CCC35O)OCc1ccc(cc1)-c1ccccc1 |r,TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,21:22:18.4.5:7.13.12,8:7:22:18.4.5|
Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@H](CCC35O)OCc1ccc2ccccc2c1 |r,TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,21:22:18.4.5:7.13.12,8:7:22:18.4.5|
Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@H](CCC35O)OCc1ccccc1 |r,TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,21:22:18.4.5:7.13.12,8:7:22:18.4.5|
Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@H](CCC35O)OCc1ccc2ccccc2c1 |r,TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,21:22:18.4.5:7.13.12,8:7:22:18.4.5|
Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@H](CCC35O)OCc1cccc2ccccc12 |r,TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,21:22:18.4.5:7.13.12,8:7:22:18.4.5|
Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@H](CCC35O)OCc1ccc(cc1)-c1ccccc1 |r,TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,21:22:18.4.5:7.13.12,8:7:22:18.4.5|
Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@H](CCC35O)OCc1ccccc1 |r,TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,21:22:18.4.5:7.13.12,8:7:22:18.4.5|
Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@H](CCC35O)OCc1c2ccccc2cc2ccccc12 |r,TLB:23:22:18.4.5:7.13.12,THB:8:7:22:18.4.5,17:18:22:7.13.12,21:22:18.4.5:7.13.12|
Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@H](CCC35O)OCc1cccc2ccccc12 |r,TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,21:22:18.4.5:7.13.12,8:7:22:18.4.5|
Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(CCC35O)OCC(=O)C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:33.44,31.36,35.40,wD:29.45,TLB:26:28:34:31.36.32,23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,30:29:34:31.36.32,30:31:29.28.37:34,21:22:18.4.5:7.13.12,8:7:22:18.4.5,(4.96,-10.23,;3.61,-9.46,;2.28,-10.23,;.94,-9.46,;.94,-7.89,;-.38,-7.15,;-.38,-5.61,;-1.73,-5.25,;-3.04,-4.5,;-3.06,-2.96,;-2.3,-1.62,;-3.85,-1.62,;-.63,-6.35,;.72,-5.61,;2.26,-5.61,;3.71,-5.15,;4.61,-6.37,;3.61,-7.89,;2.28,-7.14,;5.32,-4.45,;3.81,-4.06,;2.49,-4.84,;.94,-4.86,;.53,-3.36,;6.64,-3.68,;7.98,-4.42,;9.5,-3.9,;10.14,-5.19,;10.58,-2.78,;12.04,-2.28,;13.49,-2.78,;14.44,-1.45,;14.38,.1,;12.94,.6,;11.62,.05,;11.71,-1.43,;13.06,-1.87,;11.96,-.69,)|
CC1(C)SSC[C@H](NC(=O)[C@]2(N)Cc3ccc(O)cc3C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
CC1(C)SSC[C@H](NC(=O)[C@H]2NCC[C@@H]2c2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
CC1(C)SSC[C@H](NC(=O)[C@@]2(N)CCc3cc(O)ccc3C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
[H][C@]1(NCC[C@H]1c1ccc(O)cc1)C(=O)N[C@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O
[H][C@]1(NCC[C@@H]1c1ccc(O)cc1)C(=O)N[C@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O
CC1(C)SSC[C@H](NC(=O)[C@]2(N)CCc3cc(O)ccc3C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
CC1(C)SSC[C@H](NC(=O)[C@H]2NCC[C@H]2c2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
CC1(C)SSC[C@H](NC(=O)[C@@]2(N)Cc3ccc(O)cc3C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
CN[C@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O
CN1[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(=O)N([C@@H](CS)C1=O)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)(C)S |r|
CC(C)(S)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CS)N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O |r|
CC(C)(S)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CS)N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O |r|
CN([C@H](CN1CCCC1)c1cccc(N)c1)C(=O)Cc1ccc(Cl)c(Cl)c1
Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)Nc1ccccc1 |TLB:17:18:22:7.13.12,3:4:22:7.13.12|
Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccccc1 |w:25.31,THB:8:7:23:18.4.5|
Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C1(CC[C@@]35O)Oc2ccccc2O1 |TLB:17:18:22:7.13.12,3:4:22:7.13.12|
Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)[C@@H](Cc1ccccc1)C[C@@]35O |TLB:3:4:30:7.13.12,17:18:30:7.13.12|
C[C@@H](NC(=O)C(N)Cc1c(C)cc(O)cc1C)C(=O)NCCCc1ccccc1
C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCCCc1ccccc1
C[C@@H](NC(=O)[C@H](N)Cc1c(C)cc(OCc2ccccc2)cc1C)C(=O)NCCCc1ccccc1
C[C@@H](N(CC1CC1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCCCc1ccccc1
C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(OCc2ccccc2)cc1C)C(=O)NCCCc1ccccc1
COc1cc(C)c(C[C@H](N)C(=O)N[C@H](C)C(=O)NCCCc2ccccc2)c(C)c1
C[C@@H](NC(=O)C(N)Cc1c(C)cc(OCc2ccc(F)cc2)cc1C)C(=O)NCCCc1ccccc1
C[C@@H](NC(=O)C(C)(N)Cc1c(C)cc(O)cc1C)C(=O)NCCCc1ccccc1
[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@@H](CCCNC(=O)CNC2=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
COc1c(O)ccc2CC3N(CC4CC4)CCC4(CC(=O)CC[C@@]34OC)c12 |TLB:24:23:26.7.8:10.16.15,11:10:23:26.7.8,THB:2:26:23:10.16.15|
CCO[C@@]12CCC(=O)CC11CCN(CC3CC3)C2Cc2ccc(O)c(OC)c12 |TLB:2:3:27.19.18:12.10.11,24:27:3:12.10.11,13:12:3:27.19.18|
CCCCOc1c(O)ccc2CC3N(CC4CC4)CCC4(CC(=O)CC[C@@]34OC)c12 |TLB:27:26:29.10.11:13.19.18,14:13:26:29.10.11,THB:5:29:26:13.19.18|
COc1c(O)ccc2CC3N(CC4CC4)CCC4(CC(=O)CC[C@@]34O)c12 |TLB:24:23:25.7.8:10.16.15,11:10:23:25.7.8,THB:2:25:23:10.16.15|
COc1c(O)ccc2CC3N(CC=C)CCC4(CC(=O)CC[C@@]34OC)c12 |TLB:11:10:22:25.7.8,23:22:25.7.8:10.15.14,THB:2:25:22:10.15.14|
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6]-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6]-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
[#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6]-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6]-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
CCC(=O)N([C@H]1CCN(C[C@H](O)c2ccccc2)C[C@@H]1C)c1ccccc1
CC[C@H](C)N(CC(=O)N[C@@H](CC(O)=O)C(N)=O)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1
CN1CCC2(CC1C(=Cc1cccc(Cl)c1)C(=O)C2)c1cccc(O)c1 |w:8.9|
CN1CCC2(CC1C(=Cc1ccc(Cl)cc1)C(=O)C2)c1cccc(O)c1 |w:8.9|
CN1CCC2(CC1C(=Cc1ccccc1)C(=O)C2)c1cccc(O)c1 |w:8.9|
COc1ccc(C=C2C3CC(CCN3C)(CC2=O)c2cccc(O)c2)cc1 |w:6.5|
COc1cccc(C=C2C3CC(CCN3C)(CC2=O)c2cccc(O)c2)c1 |w:7.6|
COc1cccc(c1)C12CCN(C)C(C1)C(=Cc1ccccc1)C(=O)C2 |w:16.18|
CN1CCC2(CC1C(=Cc1ccc(Cl)c(Cl)c1)C(=O)C2)c1cccc(O)c1 |w:8.9|
OC(=O)CNC(=O)c1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)C4(CCN5CC1CC1)c67 |TLB:33:32:14:37.18.17,23:37:14:32.30.31,15:14:37.18.17:32.30.31,THB:13:14:37.18.17:32.30.31|
OC(=O)C[C@@H](NC(=O)c1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)C4(CCN5CC1CC1)c67)C(O)=O |TLB:16:15:38.19.18:33.31.32,24:38:15:33.31.32,34:33:15:38.19.18,THB:14:15:38.19.18:33.31.32|
NCCCC[C@@H](NC(=O)c1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)C4(CCN5CC1CC1)c67)C(O)=O |TLB:35:34:16:39.20.19,25:39:16:34.32.33,17:16:39.20.19:34.32.33,THB:15:16:39.20.19:34.32.33|
NCCC[C@@H](NC(=O)c1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)C4(CCN5CC1CC1)c67)C(O)=O |TLB:34:33:15:38.19.18,24:38:15:33.31.32,16:15:38.19.18:33.31.32,THB:14:15:38.19.18:33.31.32|
OC(=O)c1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)C4(CCN5CC1CC1)c67 |TLB:29:28:10:33.14.13,19:33:10:28.26.27,11:10:33.14.13:28.26.27,THB:9:10:33.14.13:28.26.27|
NC(=N)NCCC[C@@H](NC(=O)c1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)C4(CCN5CC1CC1)c67)C(O)=O |TLB:19:18:41.22.21:36.34.35,37:36:18:41.22.21,27:41:18:36.34.35,THB:17:18:41.22.21:36.34.35|
O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OCc1cccc(CN=C=S)c1 |TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,8:7:22:18.4.5|
Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OCc1ccccc1N=C=S |TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,8:7:22:18.4.5|
Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OCc1ccc(CN=C=S)cc1 |TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,8:7:22:18.4.5|
Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OCc1ccc(cc1)N=C=S |TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,8:7:22:18.4.5|
Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OCc1cccc(c1)N=C=S |TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,8:7:22:18.4.5|
Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OCc1ccccc1CN=C=S |TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,8:7:22:18.4.5|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(OC)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccn1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c(C)c(C)c(C)c(C)c1C)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(C)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1Cc1cccc(NC(=O)CBr)c1 |TLB:23:22:18.4.5:7.13.12,THB:8:7:22:18.4.5,17:18:22:7.13.12|
Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1Cc1cccc(c1)N=C=S |TLB:23:22:18.4.5:7.13.12,THB:8:7:22:18.4.5,17:18:22:7.13.12|
Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1Cc1ccc(cc1)N=C=S |TLB:23:22:18.4.5:7.13.12,THB:8:7:22:18.4.5,17:18:22:7.13.12|
Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1Cc1ccccc1N=C=S |TLB:23:22:18.4.5:7.13.12,THB:8:7:22:18.4.5,17:18:22:7.13.12|
Oc1cccc(c1)C12CCN(CCc3ccccc3)C(Cc3[nH]c4ccccc4c13)C2
CN1CCC2(CC1Cc1[nH]c3ccccc3c21)c1cccc(O)c1
CCC(=O)N([C@H]1CCN(C[C@H](O)c2ccccc2)C[C@H]1C)c1ccccc1
CCC(=O)N([C@@H]1CCN(C[C@@H](O)c2ccccc2)C[C@@H]1C)c1ccccc1
Cl.CCC(=O)N([C@H]1CCN(C[C@@H](O)c2ccccc2)C[C@H]1C)c1ccccc1 |r|
CCC(=O)N([C@@H]1CCN(C[C@H](O)c2ccccc2)C[C@@H]1C)c1ccccc1
CC12CCC(N)C(CO)(Cc3ccc(O)cc13)C2 |THB:15:16:17:4.2.3,5:4:17:16.10.9|
COCC12Cc3ccc(O)cc3C(C)(CCC1N)C2 |THB:10:11:18:16.14.15,17:16:18:11.5.4|
CN1CNC2CCC3(C)CC2(C1)Cc1ccc(O)cc31 |TLB:3:4:9:19.13.12,THB:18:19:9:4.6.5|
CNCC12Cc3ccc(O)cc3C(C)(CCC1N)C2 |THB:10:11:18:16.14.15,17:16:18:11.5.4|
COC[C@@]12Cc3ccc(O)cc3[C@@](C)(C1)CCc1nnnn21
CN(C)C1CCC2(C)CC1(C)Cc1ccc(O)cc21 |TLB:1:3:8:18.12.11,THB:17:18:8:3.4.5|
CN1CC23Cc4ccc(O)cc4C(C)(CCC12)C3 |THB:1:16:17:11.5.4,10:11:17:16.15.14|
COC[C@@]12Cc3ccc(O)cc3[C@@](C)(C1)CCCN2C
CN(C)C1CCC2(C)CC1(CO)Cc1ccc(O)cc21 |TLB:1:3:8:19.13.12,THB:18:19:8:3.4.5|
COCC12Cc3ccc(O)cc3C(C)(CCC1N(C)C)C2 |THB:17:16:20:11.5.4,10:11:20:16.15.14|
CNC1CCC2(C)CC1(CO)Cc1ccc(O)cc21 |TLB:1:2:7:18.12.11,THB:17:18:7:2.4.3|
[H][C@]12Cc3[nH]c4cc(OC)ccc4c3[C@](CCN1C)(C2)c1cccc(O)c1 |r|
[H][C@]12Cc3[nH]c4ccccc4c3[C@](CCN1C)(C2)c1cccc(O)c1 |r|
COc1ccc2[nH]c3CC4CC(CCN4C)(c3c2c1)c1cccc(O)c1
COc1cccc2c3c(CC4CC3(CCN4C)c3cccc(O)c3)[nH]c12
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6@@H](-[#6])-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6@@H](-[#6])-c1c(-[#6])cccc1-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
[#6]-[#6]-[#6@@H](-[#6])-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
CCCC[C@H](N(C)C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)[C@H](C)c1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](N(C)C(=O)[C@H](NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)c1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](N(C)C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)c1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](N(C)C(=O)[C@H](NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)[C@H](C)c1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CN1CCC2(CC1C(=Cc1ccc(I)cc1)C(=O)C2)c1cccc(O)c1 |w:8.9|
CN1CCC2(CC1C(=Cc1cccc(I)c1)C(=O)C2)c1cccc(O)c1 |w:8.9|
CN1CCC2(CC1C(=Cc1ccc3ccccc3c1)C(=O)C2)c1cccc(O)c1 |w:8.9|
CN1CCC2(CC1C(=CC1CC1)C(=O)C2)c1cccc(O)c1 |w:8.9|
CN1C(CCNC(=O)c2ccccc2F)CN=C(c2ccccc2)c2ccccc12 |t:17|
CN1C(CCNC(=O)c2ccc(Cl)cc2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:17|
CN1C(CNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |t:14|
CN1C(CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2ccccc12 |t:15|
CN1C(CCNC(=O)c2ccc(F)cc2)CN=C(c2ccccc2)c2ccccc12 |t:17|
CN1C(CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:15|
CN1C(CCNC(=O)c2cc3ccccc3[nH]2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:20|
CN1C(CCNC(=O)c2ccc(F)cc2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:17|
CN1C(CCNC(=O)c2ccccc2F)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:17|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](CC(O)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCNC(=O)C[C@@H](NC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCCN)C(N)=O
CC[C@@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)C[C@H](NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCCN)C(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](N)Cc1ccc(O)cc1
CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCNC(=O)C[C@H](NC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCCN)C(N)=O
CC[C@@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)C[C@@H](NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCCN)C(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](N)Cc1ccc(O)cc1
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCCNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCCN)C(N)=O
[#6]-[#7](-[#6@H](-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-1)-c1cccc(-[#7]-[#6](=O)-[#6]-[#7]-[#6](=S)-[#7]=[#6]-2-[#6]=[#6]\[#6](-[#6](=[#6]-2)-[#6](-[#8])=O)=[#6]-2\c3ccc(-[#8])cc3-[#8]-c3cc(-[#8])ccc-23)c1)-[#6](=O)-[#6]-c1ccc(Cl)c(Cl)c1 |r,w:21.21,c:24,27|
[#6]-[#7](-[#6@H](-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-1)-c1cccc(-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=S)-[#7]=[#6]-2-[#6]=[#6]\[#6](-[#6](=[#6]-2)-[#6](-[#8])=O)=[#6]-2\c3ccc(-[#8])cc3-[#8]-c3cc(-[#8])ccc-23)c1)-[#6](=O)-[#6]-c1ccc(Cl)c(Cl)c1 |r,w:33.33,c:36,39|
NC1=NC(=N[C@]11CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1C2(CCN3CC1CC1)c45)[C@]1(N)CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1C2(CCN3CC1CC1)c45 |c:3,t:1,TLB:24:23:8:28.12.11,49:48:33:53.37.36|
N[C@]1(CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1C2(CCN3CC1CC1)c45)C1=N[C@]2(CC[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H]2C3(CCN4CC2CC2)c56)C(=O)N1 |t:31,TLB:46:45:30:50.34.33,20:19:4:24.8.7|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1(Cc4ccccc4C1)C2=O)ccc3O |r,THB:10:9:17:6.5.4|
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC1(Cc2ccccc2C1)C4=O)ccc5O
CCCCN(CC(=O)N[C@@H](CC(O)=O)C(N)=O)C(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC[C@@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)(C)C
CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O)C(C)(C)C
CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(N)=O
CCCCN(CC(=O)N[C@@H](CC(O)=O)C(N)=O)C(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)(C)C
CCCCN(CC(=O)N[C@@H](CC(O)=O)C(N)=O)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1
CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N(CC(C)C)CC(=O)N[C@@H](CC(O)=O)C(N)=O
CCCCN(CC(=O)N[C@@H](CC(O)=O)C(N)=O)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC[C@@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1
CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)=O
CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(O)=O)C(N)=O)C(C)(C)C
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]\[#7]=[#6](\[#7](-[#6])-[#6])-[#7](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7](-[#6])-[#6])-[#7](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#7]=[#6](-[#7](-[#6])-[#6])-[#7](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#7]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
CCCN(CCC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1
CCN(C)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1
COc1cccc(c1)[C@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccc(cc1)C(=O)N(C(C)C)C(C)C
CCCCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1
COc1cccc(c1)[C@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccc(cc1)C(=O)N(C)C
COc1cccc(c1)[C@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccc(cc1)C(=O)N1CCCCC1
COc1cccc(c1)[C@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccc(cc1)C(=O)N1CCCCCC1
COc1cccc(c1)[C@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccc(cc1)C(=O)N1CCCC1
CN(C)[C@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(O)=O
CC(NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(O)=O
CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(N)=O
C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](Cc1c(C)cc(O)cc1C)N(C)C)C(O)=O
CN[C@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(O)=O
CN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(N)=O
CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(O)=O
CN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)C(O)=O
CN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(O)=O
CCN1CC[C@@]2(Cc3[nH]c4ccccc4c3C[C@H]2C1)c1cccc(O)c1
CCN(CC)C(=O)c1[nH]c2C[C@]3(CCN(CC)C[C@@H]3Cc2c1C)c1cccc(O)c1
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O
CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(F)c1
CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@H](C)N(CC=C)C[C@H]1C)c1cccc(O)c1
CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@H](C)N(CC=C)C[C@H]1C)c1cccc(F)c1
CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1
CC(C)CN1CCC23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC(=Cc1ccc2ccccc2c1)C4=O)ccc5O |w:19.22,THB:3:4:15:11.12.13|
Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1c2ccccc2cc2ccccc12 |w:25.31,THB:8:7:23:18.4.5|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1)C2=O)ccc3O |r,THB:10:9:17:6.5.4|
Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccc2ccccc2c1 |w:25.31,THB:8:7:23:18.4.5|
CCC(=O)N([C@H]1CCN(C[C@@H](O)c2ccccc2)C[C@@H]1C)c1ccccc1
CCC(=O)N(C1CCN(CC(O)c2ccccc2)CC1C)c1ccccc1
CCC(=O)N([C@@H]1CCN(C[C@@H](O)c2ccccc2)C[C@H]1C)c1ccccc1
CCC(=O)N([C@@H]1CCN(C[C@H](O)c2ccccc2)C[C@H]1C)c1ccccc1
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(N)=O
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@]1(CCc2ccccc2C1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(N)=O
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@]1(CCc2ccccc2C1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(N)=O
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@]1(CCc2ccccc2C1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(N)=O
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@]1(CCc2ccccc2C1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(N)=O
COc1ccc2CC3N(C)CCC45c2c1O[C@@]4(C)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O |TLB:23:22:13.5.6:8.11.10,THB:9:8:22:13.5.6,14:13:22:8.11.10|
COc1ccc2CC3N(C)CCC45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O |TLB:22:21:16.5.6:8.11.10,THB:9:8:21:16.5.6,15:16:21:8.11.10|
COc1ccc2CC3N(C)CCC45c2c1O[C@@]4(C)C(=O)C=C[C@@]35NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O |c:23,TLB:23:22:13.5.6:8.11.10,THB:9:8:22:13.5.6,14:13:22:8.11.10|
CN1CCC23c4c5O[C@@]2(C)C(=O)C=C[C@@]3(NC(=O)\C=C\c2ccc(cc2)[N+]([O-])=O)C1Cc4ccc5O |c:13,TLB:0:1:14:5.31.30,15:14:5.31.30:1.3.2,THB:6:5:14:1.3.2|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)ccc3OC |r,THB:10:9:5.4.6:17|
COc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C=C[C@@]35NC(=O)C=Cc1ccc(cc1)[N+]([O-])=O |w:29.35,c:26,TLB:25:24:19.5.6:8.14.13,THB:9:8:24:19.5.6,18:19:24:8.14.13|
COc1ccc2CC3N(CC4CC4)CCC45c2c1O[C@@]4(C)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O |TLB:26:25:16.5.6:8.14.13,THB:9:8:25:16.5.6,17:16:25:8.14.13|
COc1ccc2CC3N(C)CCC45[C@@H](Oc1c24)C(=O)C=C[C@@]35NC(=O)C=Cc1ccc(cc1)[N+]([O-])=O |w:26.31,c:22,TLB:22:21:16.5.6:8.11.10,THB:9:8:21:16.5.6,15:16:21:8.11.10|
COc1ccc2CC3N(CC4CC4)CCC45c2c1O[C@@]4(C)C(=O)C=C[C@@]35NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O |c:27,TLB:26:25:16.5.6:8.14.13,THB:9:8:25:16.5.6,17:16:25:8.14.13|
CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(NC(=O)C=Cc1ccc(cc1)[N+]([O-])=O)C=CC4=O)ccc5O |w:17.20,c:31,TLB:13:12:8.9.10:1.3.2,THB:0:1:12:8.9.10,7:8:12:1.3.2|
Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C=C[C@@]35NC(=O)C=Cc1ccc(cc1)[N+]([O-])=O |w:28.34,c:25,TLB:24:23:18.4.5:7.13.12,THB:8:7:23:18.4.5,17:18:23:7.13.12|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CCC2=O)NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)ccc3O |r,THB:10:9:14:4.5.6|
C[C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@]5(CCC2=O)NC(=O)CCc1ccc(cc1)[N+]([O-])=O)ccc3O |THB:9:8:16:4.5.6,3:4:16:8.14.13,21:16:4.5.6:8.14.13|
C[C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)C=CC2=O)ccc3O |c:36,THB:9:8:16:4.5.6,3:4:16:8.14.13,17:16:4.5.6:8.14.13|
CN1CCC23c4c5O[C@@]2(C)C(=O)CC[C@@]3(NC(=O)\C=C\c2ccc(cc2)[N+]([O-])=O)C1Cc4ccc5O |TLB:0:1:14:5.31.30,15:14:5.31.30:1.3.2,THB:6:5:14:1.3.2|
C[C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@]5(CCC2=O)NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)ccc3O |THB:9:8:16:4.5.6,3:4:16:8.14.13,21:16:4.5.6:8.14.13|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)ccc3O |r,THB:10:9:5.4.6:17|
CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CC(=O)N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](N)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H]-1-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](=O)-[#7]-1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H]-1-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](=O)-[#7]-1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O
CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(=O)N[C@@H](CNC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(=O)N[C@@H](CCNC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(=O)N[C@@H](CCCNC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O
CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CC(=O)N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CC(=O)N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NC[C@@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H]-1-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](=O)-[#7]-1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O
C[C@H]1CN(C\C=C\c2ccccc2)CC[C@@]1(C)c1cccc(O)c1
C[C@H]1CN(C\C=C\c2ccccc2Cl)CC[C@@]1(C)c1cccc(O)c1
C[C@H]1CN(C[C@@H]2C[C@H]2c2ccccc2)CC[C@@]1(C)c1cccc(O)c1
C[C@H]1CN(C[C@H]2C[C@@H]2c2ccccc2)CC[C@@]1(C)c1cccc(O)c1
C[C@H]1CN(CC[C@H](O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1
C[C@H]1CN(C\C=C\c2ccccc2C)CC[C@@]1(C)c1cccc(O)c1
CN1CCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C1)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2cccc(-c4ccccc4)c2c1C[C@@]35O
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2ccc(\C=C\c4ccccn4)cc2c1C[C@@]35O
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2cc(Oc4ccccc4)ccc2c1C[C@@]35O
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2c(cccc2c1C[C@@]35O)-c1ccccc1
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2ccc(Oc4ccccc4)cc2c1C[C@@]35O
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2ccc(OCc4ccccc4)cc2c1C[C@@]35O
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2cccc(OCc4ccccc4)c2c1C[C@@]35O
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2cccc(Oc4ccccc4)c2c1C[C@@]35O
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2cc(ccc2c1C[C@@]35O)-c1ccccc1
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2ccc(cc2c1C[C@@]35O)-c1ccccc1
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2c(Oc4ccccc4)cccc2c1C[C@@]35O
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2c(OCc4ccccc4)cccc2c1C[C@@]35O
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2cc(OCc4ccccc4)ccc2c1C[C@@]35O
C[C@H]1C2CCCC1(CCN2C)c1cccc(O)c1
C[C@H]1C2CCCC1(CCN2CCc1ccccc1)c1cccc(O)c1
CC(C)(C)c1ccc(cc1)C(N1CCN(Cc2ccccc2)CC1)c1cccc(O)c1
CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@H]1C(O)=O
C[C@@H]([C@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C)c1c(C)cc(O)cc1C
C[C@@H]([C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccccc1
C[C@@H]([C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1
C[C@H]([C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)c1ccccc1
C[C@@H]([C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1
C[C@H]([C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1
C[C@H]1[C@@H](N(Cc2ccccc12)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
C[C@@H]([C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccc(O)cc1
C[C@@H]([C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)c1ccccc1
C[C@@H]1[C@@H](N(Cc2ccccc12)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
C[C@@H]([C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccccc1
C[C@H]([C@@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccc(O)cc1
C[C@H]([C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccccc1
N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
C[C@H]1[C@H](N(Cc2ccccc12)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
C[C@@H]([C@@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccc(O)cc1
C[C@H]([C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1
C[C@H]([C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccc(O)cc1
C[C@H]([C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccccc1
CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)CCc1ccc(O)cc1
C[C@@H]1CN(C\C=C\c2ccccc2)CC[C@]1(C)c1cccc(O)c1
C[C@@H](NC(=O)C(N)Cc1c(C)cc(OCC=C)cc1C)C(=O)NCCCc1ccccc1
C[C@@H](NC(=O)C(N)Cc1c(C)cc(OCc2ccc(cc2)C#N)cc1C)C(=O)NCCCc1ccccc1
C[C@@H](NC(=O)C(N)Cc1c(C)cc(OCc2ccc(cc2)[N+]([O-])=O)cc1C)C(=O)NCCCc1ccccc1
C[C@@H](NC(=O)C(N)Cc1c(C)cc(OCc2ccc(cc2)C(O)=O)cc1C)C(=O)NCCCc1ccccc1
Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](Br)CC[C@@]35O |TLB:3:4:23:7.13.12,17:18:23:7.13.12|
Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](F)CC[C@@]35O |TLB:3:4:23:7.13.12,17:18:23:7.13.12|
Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](I)CC[C@@]35O |TLB:3:4:23:7.13.12,17:18:23:7.13.12|
COC(=O)[C@H]1NC(=O)C(Cc2ccccc2)OCCNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(C)(C)SSC1(C)C
COC(=O)[C@H]1NC(=O)C(Cc2ccccc2)CCCNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(C)(C)SSC1(C)C
CC1(C)CN(C(CN2CCCC2)c2ccccc12)C(=O)Cc1ccc(Cl)c(Cl)c1
Oc1cccc2C(CN3CCCC3)N(CCc12)C(=O)Cc1ccc(Cl)c(Cl)c1
C[C@@H]1Cc2ccccc2C(CN2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1
C[C@@H]1CN(C(CN2CCCC2)c2ccccc12)C(=O)Cc1ccc(Cl)c(Cl)c1
[H][C@]1(NCC[C@@H]1c1ccc(O)cc1)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O
[H][C@@]1(NCC[C@@H]1c1ccc(O)cc1)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O
C[N+]1(C)CCC2(CC1C(=Cc1ccccc1)C(=O)C2)c1cccc(O)c1 |w:9.10|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)C(C)(C)O)ccc3OCC(=C)C(=O)OC |TLB:25:23:16.1:18.19,THB:10:9:17:4.5.6|
COC(=O)C(C)COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
COC(=O)C(=C)COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](O)CC[C@@]35O
COC(=O)C(=C)COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
COC(=O)C(=C)COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
CCC[C@@](C)(O)[C@H]1C[C@]23C=C[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(C)CC[C@@]315)ccc4OCC(=C)C(=O)OC |wU:3.2,20.22,wD:25.29,14.15,8.8,6.5,11.12,3.4,c:9,(9.11,-3.65,;7.57,-3.65,;6.8,-2.32,;5.26,-2.32,;5.23,-.78,;5.65,-3.81,;3.72,-2.32,;2.95,-.99,;1.41,-.96,;1.41,-2.5,;2.92,-2.11,;2.92,-3.65,;3.69,-5,;5.23,-5,;1.38,-3.65,;-.18,-4.02,;-1.65,-3.62,;-.88,-2.29,;-1.65,-.96,;-.9,.37,;.64,.37,;1.03,1.86,;1.97,3.07,;-.3,1.09,;-.72,-1.52,;.64,-2.29,;-3.19,-.96,;-3.96,-2.29,;-3.19,-3.62,;-3.96,-4.95,;-5.5,-4.95,;-6.27,-6.31,;-5.5,-7.64,;-7.81,-6.31,;-8.58,-7.64,;-8.58,-4.95,;-7.81,-3.62,)|
COC(=O)C(=C)COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O
COC(=O)C(=C)CO[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(OCC(=C)C(=O)OC)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
COC(=O)C(=C)COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6OCC(=C)C(=O)OC
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCC=C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCC1CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)N(CC=C)CC=C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
CN(C)C[C@@H]1CCCCN1C(=O)Cc1ccc2C(=O)CCCc2c1
CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2cccc(F)c2)C(=O)N[C@@H]1C(O)=O
CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H]1C(O)=O
CC(C)(C)c1ccc(C[C@@H]2NC(=O)[C@H](CSSC(C)(C)[C@H](NC2=O)C(O)=O)NC(=O)[C@@H](N)Cc2ccc(O)cc2)cc1
CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]1C(O)=O
CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H]1C(O)=O
CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2F)C(=O)N[C@@H]1C(O)=O
CCCCC(=N)NCc1ccc2[nH]c3C4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:16:17:29:21.27.26,35:18:29:21.27.26|
COC(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1
CC1(C)SSC[C@H](NC(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
CC1(C)SSC[C@H](NC(=O)[C@@H]2Cc3ccc(O)cc3CN2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
C[C@](N)(Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
CC1CN(C[C@H](Cc2ccccc2)C(=O)NCC(O)=O)CCC1(C)c1cccc(O)c1
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O
CN([C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O |r|
CN([C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O
C[C@H](N(C)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O
CN([C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
CN([C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCCN)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O
CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCCN)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1
CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CSSC[C@@H](NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCCN)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CSSC[C@@H](NC1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCCN)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCCN)C(O)=O
CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O
[H][C@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)[C@]([H])([#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#16]-[#16]-[#6]-[#6@@H](-[#7]-[#6]2=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)[#6@@H](-[#6])-[#6]-[#6]
CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCC(CC1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O |wU:4.4,98.101,106.109,38.38,19.19,wD:85.89,71.73,89.92,30.30,58.61,8.8,2.2,(17.35,.41,;17.35,-.83,;18.68,-1.6,;19.75,-.98,;18.68,-3.14,;17.34,-3.9,;16.01,-3.13,;16.01,-1.9,;14.67,-3.89,;14.66,-5.43,;13.33,-6.2,;13.32,-7.74,;11.98,-8.5,;11.97,-10.04,;10.9,-10.66,;13.03,-10.66,;13.34,-3.12,;12,-3.88,;12,-5.12,;10.67,-3.11,;10.67,-1.57,;9.34,-.8,;9.34,.74,;8.01,1.52,;8.01,3.06,;6.95,3.68,;9.08,3.67,;9.33,-3.88,;8,-3.1,;8,-1.87,;6.66,-3.87,;6.66,-5.41,;5.32,-6.17,;4.25,-5.55,;5.31,-7.4,;5.33,-3.09,;4,-3.86,;3.99,-5.09,;2.66,-3.08,;2.67,-1.54,;4,-.77,;4,.77,;5.34,1.54,;6.67,.76,;6.66,-.78,;5.33,-1.54,;1.33,-3.85,;-.01,-3.07,;-0,-1.84,;-1.34,-3.84,;-2.68,-3.07,;-4.01,-3.83,;-4.01,-5.37,;-2.68,-6.15,;-1.35,-5.38,;-5.35,-6.14,;-5.35,-7.69,;-4.28,-8.3,;-6.68,-8.46,;-7.75,-7.84,;-6.68,-10,;-8.01,-10.77,;-8.02,-12.31,;-9.35,-13.08,;-10.69,-12.3,;-11.75,-12.92,;-10.68,-10.76,;-9.35,-10,;20.01,-3.91,;20.01,-5.15,;21.35,-3.15,;22.68,-3.92,;22.67,-5.46,;21.33,-6.22,;21.32,-7.77,;19.99,-8.53,;19.98,-10.07,;18.91,-10.68,;21.04,-10.69,;24.02,-3.16,;24.02,-1.92,;25.35,-3.93,;25.48,-5.45,;26.99,-5.78,;27.76,-4.45,;26.74,-3.3,;27.05,-1.8,;28.22,-1.41,;25.9,-.77,;26.22,.74,;27.68,1.22,;28.83,.19,;30.3,.67,;31.44,-.36,;32.61,.03,;25.07,1.77,;23.9,1.38,;25.38,3.28,;24.23,4.3,;22.77,3.82,;22.46,2.31,;21.29,1.92,;23.38,1.49,;24.55,5.8,;25.71,6.19,;23.4,6.83,;23.71,8.34,;22.56,9.37,;22.87,10.88,;21.73,11.91,;22.04,13.41,;21.12,14.23,;25.17,8.83,;26.09,8.01,;25.42,10.04,)|
CC1(C)SSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
CC1(C)SSC[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
CC1(C)SSC[C@H](NC(=O)[C@H](Cc2ccc(Br)cc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
CC1(C)SSC[C@H](NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
CC1(C)SSC[C@H](NC(=O)[C@H](Cc2ccc(I)cc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1cc(cnc21)-c1ccc(Cl)cc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1cc(cnc21)-c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c(cc(nc21)-c1ccccc1)-c1ccccc1)ccc3O |THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1cnc(nc21)-c1ccccc1)ccc3O |THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1cncnc21)ccc3O |THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2nc2ccccc2c1-c1ccccc1)ccc3O |THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1cnc(C)nc21)ccc3O |THB:10:9:17:4.5.6|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncccc1C[C@@]35O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1ccc(nc21)-c1ccccc1)ccc3O |THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c(nc(nc21)-c1ccccc1)-c1ccccc1)ccc3O |THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c(nc(Cc4ccccc4)nc21)-c1ccccc1)ccc3O |THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c(ncnc21)-c1ccccc1)ccc3O |THB:10:9:17:4.5.6|
COC(=O)[C@@]1(C[C@@H]1CN1CC[C@]2(C)[C@@H](C)C1Cc1ccc(O)cc21)c1ccccc1 |THB:14:13:23.17.16:8.10.9|
O=C(CCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
O=C(CCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
O=C(CCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CCCCCCN3CC[C@]45CCCC[C@H]4[C@H]3Cc3ccc(O)cc53)c2c1 |TLB:21:22:30:39.33.32|
C(CCOc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
O=C(Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)c1ccc(cc1)C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
O=C(Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)[C@H]1C[C@H]1C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
O=C(Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)c1cccc(c1)C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
COC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
O=C(Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)\C=C\C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
O=C(CCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
C(CCCCCOc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)CCCCOc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
O=C(CCCCCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1cccc2occc12
Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CCCN3CC[C@]45CCCC[C@H]4[C@H]3Cc3ccc(O)cc53)c2c1 |TLB:18:19:27:36.30.29|
O=C(CCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
C(C1CCC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(cc31)-c1nnn[nH]1
NC(=O)c1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
O=C1[C@@H]2[C@@H]3CCCC[C@]3(CCN2CC2CCC2)c2cc(OCC3CCC3)ccc12
COc1ccc2C(=O)[C@H]3NCC[C@@]4(CCCC[C@@H]34)c2c1
Oc1ccc2C(=O)[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC#C)c2c1
O=C1[C@@H]2[C@@H]3CCCC[C@]3(CCN2CC2CCC2)c2cc(ccc12)-c1nnn[nH]1
CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(cc31)-c1nnn[nH]1
Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Oc1ccc2C(=O)[C@@H]3[C@@H]4CCCC[C@]4(CCN3CCF)c2c1
Oc1ccc2C(=O)[C@@H]3[C@@H]4CCCC[C@]4(CCN3CCCF)c2c1
NCc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
O=C1[C@@H]2[C@@H]3CCCC[C@]3(CCN2CC#C)c2cc(OCC#C)ccc12
Oc1ccc2C(=O)[C@H]3NCC[C@@]4(CCCC[C@@H]34)c2c1
Oc1ccc2C(=O)[C@@H]3[C@@H]4CCCC[C@]4(CCN3Cc3ccc4ccccc4c3)c2c1
Oc1ccc2C(=O)[C@@H]3[C@@H]4CCCC[C@]4(CCN3CCc3ccccc3)c2c1
Oc1ccc2C(=O)[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(cc31)C#N
Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
CN1CC[C@]23CCCC[C@H]2[C@H]1C(=O)c1ccc(O)cc31
N#Cc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
NC(=O)c1ccc2C(=O)[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(N)cc31
O=C(Nc1ccc2C(=O)[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)c1ccccc1
Nc1ccc2C(=O)[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Oc1ccc2C(=O)[C@@H]3[C@@H]4CCCC[C@]4(CCN3C[C@@H]3CCCO3)c2c1
[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6]-[#6][C@]23[#6]-[#6]-[#6]-[#6]-[#6@H]2-[#6@H]-1-[#6](=O)-c1ccc(-[#8])cc31
OC(=O)c1ccc2C(=O)[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(CN)cc31
COCCN1CC[C@]23CCCC[C@H]2[C@H]1C(=O)c1ccc(O)cc31
NC(=O)c1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(cc31)C(N)=O
Oc1ccc2C(=O)[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
O=C1[C@@H]2[C@@H]3CCCC[C@]3(CCN2CC2CCC2)c2cc(ccc12)C#N
COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
CCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |r|
COC(=O)[C@@H]1C[C@H](OC(=O)c2cccnc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
COC(=O)[C@@H]1C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
COC(=O)[C@@H]1C[C@H](OC(=O)C(C)=C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
COC(=O)[C@@H]1C[C@H](OC(=O)Nc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
COC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
COC(=O)[C@@H]1C[C@H](OC(=N)C(Cl)(Cl)Cl)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
COC(=O)[C@@H]1C[C@H](OC(=O)C(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
COC(=O)[C@@H]1C[C@H](O[Si](C)(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
COC(=O)[C@@H]1C[C@H](OC(=O)NCC=C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
COC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2[C@@]1(C)CC[C@@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
COC(=O)[C@@H]1C[C@H](OS(C)(=O)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
COC(=O)[C@@H]1C[C@H](OC(=O)C(=O)OC)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
[H][C@]12Oc3c4c(C[C@@]5([H])N(C\C=C\C)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,THB:10:9:4.5.6:17|
[H][C@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C(CCCC)c1c2[nH]c2ccccc12)ccc3O |r,TLB:10:9:14:4.5.6|
[H][C@]12Oc3c4c(C[C@@]5([H])N(C\C=C\C)CC[C@@]14[C@@]5([H])C(C)c1c2[nH]c2ccccc12)ccc3O |r,TLB:10:9:17:4.5.6|
[H][C@]12Oc3c4c(C[C@@]5([H])N(CC=C(C)C)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,wU:17.16,18.21,wD:1.0,7.7,THB:10:9:4.5.6:18,(-17.05,-39.9,;-17.43,-38.07,;-19.18,-38.84,;-20.52,-38.07,;-19.75,-36.74,;-20.52,-35.41,;-19.75,-34.07,;-18.21,-34.07,;-19.14,-32.46,;-17.44,-32.74,;-16.1,-31.97,;-14.61,-32.37,;-13.52,-31.28,;-12.04,-31.68,;-13.92,-29.79,;-18.98,-32.74,;-19.29,-35.65,;-18.21,-36.74,;-17.44,-35.41,;-16.67,-34.07,;-15.9,-35.41,;-15.12,-36.74,;-15.89,-38.07,;-14.86,-39.22,;-13.46,-38.59,;-12.05,-39.22,;-10.8,-38.31,;-10.97,-36.78,;-12.37,-36.15,;-13.62,-37.06,;-22.06,-35.41,;-22.83,-36.74,;-22.06,-38.07,;-22.83,-39.41,)|
[H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5([H])Cc1cc(cnc21)-c1ccc(Cl)cc1)ccc3O |THB:9:8:16:4.5.6,3:4:16:8.14.13|
[H][C@@]12CC3C(C[C@@]11CCN(C)C2Cc2ccc(OC)c(O)c12)Nc1ccccc31 |TLB:10:9:1:21.13.12|
[H][C@]12Oc3c4c(C[C@@]5([H])N(CC(C)=C)CC[C@@]14[C@@]5([H])C(C)c1c2[nH]c2ccccc12)ccc3O |r,TLB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(O)Cc1cncnc21)ccc3O |THB:3:4:16:8.14.13,17:16:4.5.6:8.14.13,9:8:16:4.5.6|
[H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(O)Cc1cccnc21)ccc3O |THB:3:4:16:8.14.13,17:16:4.5.6:8.14.13,9:8:16:4.5.6|
[H][C@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(\C=C\c4ccccn4)cc12)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@]12Oc3c4c(C[C@@]5([H])N(CCCC)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,THB:10:9:4.5.6:17|
[H][C@@]12Cc3ccc(O)c4O[C@@]5(C)c6[nH]c7ccccc7c6C[C@]1(OCC)[C@@]5(CCN2C)c34 |r,TLB:30:29:22:31.3.2|
[H][C@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)C(C)C)ccc3O |r,THB:25:9:4.5.6:13|
[H][C@@]12Oc3c4c(CC5N(C)CCC14[C@@]5([H])Cc1cc(cnc21)-c1ccc(Br)cc1)ccc3O |THB:3:4:13:8.11.10,9:8:13:4.5.6|
[H][C@@]12Oc3c4c(CC5N(C)CCC14[C@@]5(O)Cc1cc(cnc21)-c1ccccc1)ccc3O |THB:3:4:13:8.11.10,14:13:4.5.6:8.11.10,9:8:13:4.5.6|
[H][C@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C(C)c1c2[nH]c2ccccc12)ccc3OC |r,TLB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(CC5N(C)CCC14[C@@]5(O)Cc1cc(cnc21)-c1ccc(Cl)cc1)ccc3O |THB:3:4:13:8.11.10,14:13:4.5.6:8.11.10,9:8:13:4.5.6|
[H][C@@]12Oc3c4c(CC5N(C)CCC14[C@@]5([H])Cc1cc(cnc21)-c1ccc(Cl)cc1)ccc3O |THB:3:4:13:8.11.10,9:8:13:4.5.6|
[H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(O)Cc1ccc(nc21)-c1ccccc1)ccc3O |THB:9:8:16:4.5.6,3:4:16:8.14.13,17:16:4.5.6:8.14.13|
[H][C@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2c(Oc4ccccc4)cccc12)ccc3O |r,THB:10:9:17:4.5.6|
CCCCOc1cccc2CC3N(CC4CC4)CCC4(CC(=O)CC[C@@]34OCCCc3ccccc3)c12 |TLB:26:25:36.9.10:12.18.17,13:12:25:36.9.10,THB:5:36:25:12.18.17|
[H][C@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2cc(OC(=O)c4ccccc4)ccc12)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12CC3C(C[C@@]11CCN(CC4CC4)C2Cc2ccc(OC)c(O)c12)Nc1ccccc31 |TLB:10:9:1:24.16.15|
[H][C@@]12OC3=C(O)C=CC4CC5N(CC(C)=C)CCC1(C34)[C@@]5(O)Cc1c2oc2ccccc12 |c:3,6,TLB:21:20:19.8.9:11.17.16,THB:12:11:20:19.8.9,3:19:20:11.17.16|
[H][C@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3-c1ccco1 |r,THB:10:9:17:4.5.6|
[H][C@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2cc(ccc12)-c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(O)Cc1c(ccnc21)-c1ccccc1)ccc3O |THB:9:8:16:4.5.6,3:4:16:8.14.13,17:16:4.5.6:8.14.13|
[H][C@@]12Oc3c4c(CC5N(CC=C)CCC14[C@@]5(O)Cc1cc(cnc21)-c1ccc(Cl)cc1)ccc3O |THB:3:4:15:8.13.12,16:15:4.5.6:8.13.12,9:8:15:4.5.6|
[H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14C5(O)CC(C)C2=O)ccc3O |TLB:9:8:16:4.5.6,THB:3:4:16:8.14.13,17:16:4.5.6:8.14.13|
[H][C@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])Cc1c2[nH]c2ccccc12)ccc3OC |r,TLB:10:9:14:4.5.6|
[H][C@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2c(cccc12)-c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@]12Oc3c4c(C[C@@]5([H])N(CCC(C)C)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,THB:10:9:4.5.6:18|
COc1ccc2CC3N(CC4CC4)CC[C@@]4(CC5Nc6ccccc6C5C[C@@]34O)c2c1O |TLB:9:8:27:29.5.6|
[H][C@]12Oc3c4c(C[C@@]5([H])N(CCC)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,THB:10:9:4.5.6:16|
[H][C@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2cccc(OC(=O)c4ccccc4)c12)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(cc12)-c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C(C)c1c2[nH]c2ccccc12)ccc3O |r,TLB:10:9:14:4.5.6|
CCO[C@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c5c(CC1N(CC=C)CCC235)ccc4O |TLB:17:18:3:22.27.26,THB:2:3:18.19.20:22.27.26|
[H][C@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(Oc4ccccc4)cc12)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@]12Oc3c4c(C[C@@]5([H])N(CC(C)=C)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3C=C |r,THB:10:9:17:4.5.6|
[H][C@]12Oc3c4c(C[C@@]5([H])N(CC)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,THB:10:9:4.5.6:15|
[H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(O)Cc1cnc(nc21)-c1ccccc1)ccc3O |THB:9:8:16:4.5.6,3:4:16:8.14.13,17:16:4.5.6:8.14.13|
CC1CN(CCCc2ccccc2)C2CC(CC1(C2)c1cccc(O)c1)NC(=O)CCCN(C)C |THB:0:1:18:14.15.16,4:3:18:14.15.16|
CC1CN(CCCc2ccccc2)C2CC(CC1(C2)c1cccc(O)c1)NC(=O)CCCNC(N)=C |THB:4:3:18:14.15.16,0:1:18:14.15.16|
[H][C@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2cccc(-c4ccccc4)c12)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@]12Oc3c4c(C[C@@]5([H])N(CCCCCCC)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r|
[H][C@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2cccc(Oc4ccccc4)c12)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(CC5N(C)CCC14[C@@]5([H])Cc1cc(cnc21)-c1ccccc1)ccc3O |THB:3:4:13:8.11.10,9:8:13:4.5.6|
O=C1CC[C@@]2(OCCCc3ccccc3)C3Cc4cccc5OC1C2(CCN3CC1CC1)c45 |TLB:5:4:32.17.16:27.25.26,21:32:4:27.25.26,28:27:4:32.17.16|
CC1CN(CCCc2ccccc2)C2CC(N)CC1(C2)c1cccc(O)c1 |THB:0:1:19:14.17.15,4:3:19:14.17.15|
CO[C@@]12CCC(=O)CC11CCN(CC3CC3)C2Cc2cccc(OCc3ccccc3)c12 |TLB:1:2:31.18.17:11.9.10,12:11:2:31.18.17,22:31:2:11.9.10|
[H][C@@]12Oc3c4c(CC5N(CC(C)=C)CCC14[C@@]5(O)CC1(CCc4ccccc14)C2=O)ccc3O |TLB:9:8:16:4.5.6,THB:3:4:16:8.14.13,17:16:4.5.6:8.14.13|
[H][C@]12Cc3cccc(OCCCC)c3[C@@]3(CCN1CC1CC1)CC(=O)CC[C@@]23OC |r,THB:18:17:27:13.3.2|
COc1cccc2CC3N(CC4CC4)CCC4(CC(=O)CC[C@@]34OCCCc3ccccc3)c12 |TLB:23:22:33.6.7:9.15.14,10:9:22:33.6.7,THB:2:33:22:9.15.14|
Oc1cccc2CC3N(CC4CC4)CCC4(CC(=O)CC[C@@]34OCCCc3ccccc3)c12 |TLB:22:21:32.5.6:8.14.13,9:8:21:32.5.6,THB:1:32:21:8.14.13|
[H][C@]12Oc3c4c(C[C@@]5([H])N(CCCCC)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r|
[H][C@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3-c1cccc(O)c1 |r,THB:10:9:17:4.5.6|
[H][C@]12Oc3cccc4C[C@@]5([H])N(CC6CC6)CC[C@@]1(c34)[C@@]5(O)Cc1c2[nH]c2ccccc12 |r,THB:12:11:20:19.7.8|
[H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(O)Cc1cc(cnc21)-c1ccc(Cl)cc1)ccc3O |THB:9:8:16:4.5.6,3:4:16:8.14.13,17:16:4.5.6:8.14.13|
[H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(O)Cc1c(cc(C)nc21)-c1ccccc1)ccc3O |THB:9:8:16:4.5.6,3:4:16:8.14.13,17:16:4.5.6:8.14.13|
[H][C@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C(CCCC)c1c2[nH]c2ccccc12)ccc3OC |r,TLB:10:9:14:4.5.6|
[H][C@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3-c1ccccc1 |r,THB:10:9:17:4.5.6|
[H][C@]12Oc3c4c(C[C@@]5([H])N(CC(C)C)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,THB:10:9:4.5.6:17|
[H][C@@]12Oc3c4c(CC5N(C)CCC14[C@@]5([H])Cc1cc(cnc21)-c1ccc(Cl)c(Cl)c1)ccc3O |THB:3:4:13:8.11.10,9:8:13:4.5.6|
[H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(O)Cc1c(nc(C)nc21)-c1ccccc1)ccc3O |THB:9:8:16:4.5.6,3:4:16:8.14.13,17:16:4.5.6:8.14.13|
COc1ccc2CC3N(C)CC[C@@]4(CC5Nc6ccccc6C5C[C@@]34O)c2c1O |TLB:9:8:24:26.5.6|
CC1CN(CCCc2ccccc2)C2CC(CC1(C2)c1cccc(O)c1)NC(=O)CCNC(N)=C |THB:4:3:18:14.15.16,0:1:18:14.15.16|
[H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(O)Cc1cnc(C)nc21)ccc3O |THB:9:8:16:4.5.6,3:4:16:8.14.13,17:16:4.5.6:8.14.13|
[H][C@@]12Cc3ccc(O)c4O[C@@]5(C)c6[nH]c7ccccc7c6C[C@]1(OCC)C5(CCN2CC1CC1)c34 |r,TLB:30:29:22:34.3.2,8:34:22:29.27.28,THB:23:22:34.3.2:29.27.28|
[H][C@]12Oc3c4c(C[C@@]5([H])N(CC(C)=C)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3OC |r,THB:10:9:17:4.5.6|
[H][C@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2c(OC(=O)c4ccccc4)cccc12)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5([H])C(C)c1c2[nH]c2ccccc12)ccc3O |r,TLB:10:9:17:4.5.6|
CCN1CC[C@]23CC4Nc5ccccc5C4C[C@@]2(O)C1Cc1ccc(OC)c(O)c31 |TLB:1:2:17:29.21.20|
CCCCCCOc1cccc2CC3N(CC4CC4)CCC4(CC(=O)CC[C@@]34OC)c12 |TLB:28:27:30.11.12:14.20.19,15:14:27:30.11.12,THB:7:30:27:14.20.19|
CO[C@@]12CCC(=O)CC11CCN(CC3CC3)C2Cc2cccc(OC\C=C\c3ccccc3)c12 |TLB:1:2:33.18.17:11.9.10,12:11:2:33.18.17,22:33:2:11.9.10|
[H][C@@]12Oc3c4c(CC5N(C)CCC14[C@@]5(O)Cc1cc(cnc21)-c1ccc(Br)cc1)ccc3O |THB:3:4:13:8.11.10,14:13:4.5.6:8.11.10,9:8:13:4.5.6|
[H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(O)Cc1cc(cnc21)-c1ccccc1)ccc3O |THB:9:8:16:4.5.6,3:4:16:8.14.13,17:16:4.5.6:8.14.13|
[H][C@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2cc(Oc4ccccc4)ccc12)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12OC3=C(OC)C=CC4CC5N(CC(C)=C)CCC1(C34)[C@@]5(O)Cc1c2oc2ccccc12 |c:3,7,TLB:22:21:20.9.10:12.18.17,THB:13:12:21:20.9.10,3:20:21:12.18.17|
CO[C@@]12CCC(=O)CC11CCN(CC3CC3)C2Cc2cccc(OCCCc3ccccc3)c12 |TLB:1:2:33.18.17:11.9.10,12:11:2:33.18.17,22:33:2:11.9.10|
[H][C@]12Oc3c4c(C[C@@]5([H])N(CCCCCC)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r|
[H][C@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(OC(=O)c4ccccc4)cc12)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])Cc1c2[nH]c2ccccc12)ccc3O |r,THB:10:9:4.5.6:14|
[H][C@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3C |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(CC5N(C)CCC14[C@@]5([H])Cc1cc(cnc21)-c1ccc(Cl)cc1Cl)ccc3O |THB:3:4:13:8.11.10,9:8:13:4.5.6|
[H][C@@]12CC3C(C[C@@]11CCN(CC)C2Cc2ccc(OC)c(O)c12)Nc1ccccc31 |TLB:10:9:1:22.14.13|
CN(C)[C@H](CN[C@H](CN)Cc1ccc(O)cc1)Cc1ccc(O)cc1
CN[C@H](CN(C)[C@H](CNCc1ccccc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1
CNC[C@@H](Cc1ccccc1)N(C)C[C@H](Cc1ccc(O)cc1)N(C)C[C@@H](N)Cc1ccc(O)cc1
CNC[C@@H](Cc1ccccc1)N(C)C[C@@H](Cc1ccc(O)cc1)N(C)C[C@H](Cc1ccc(O)cc1)N(C)C
CNC[C@@H](Cc1ccccc1)N(C)C[C@@H](Cc1ccc(O)cc1)N(C)C[C@@H](Cc1ccc(O)cc1)N(C)C
CNC[C@H](Cc1ccc(O)cc1)N(C[C@H](Cc1ccc(O)cc1)NC)Cc1ccccc1
CNC[C@H](Cc1ccc(O)cc1)N(C[C@H](Cc1ccc(O)cc1)N(C)C)Cc1ccccc1
CNC[C@H](Cc1ccc(O)cc1)N(C[C@@H](N)Cc1ccc(O)cc1)Cc1ccccc1
CNC[C@H](Cc1ccccc1)N(C)C[C@@H](Cc1ccc(O)cc1)N(C)C[C@@H](N)Cc1ccc(O)cc1
CN(C)[C@H](CN(C)[C@H](CNCc1ccccc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1
CNC[C@H](Cc1ccccc1)N(C)C[C@H](Cc1ccc(O)cc1)N(C)C[C@H](Cc1ccc(O)cc1)N(C)C
CNC[C@H](Cc1ccccc1)N(C)C[C@H](Cc1ccc(O)cc1)N(C)C[C@@H](Cc1ccc(O)cc1)N(C)C
CN(C[C@@H](N)Cc1ccc(O)cc1)[C@H](CNCc1ccccc1)Cc1ccc(O)cc1
CNC[C@@H](Cc1ccccc1)N(C)C[C@H](Cc1ccc(O)cc1)N(C)C[C@@H](Cc1ccc(O)cc1)N(C)C
CNC[C@H](Cc1ccccc1)N(C)C[C@@H](Cc1ccc(O)cc1)N(C)C[C@@H](Cc1ccc(O)cc1)N(C)C
CN[C@H](CN[C@H](CN)Cc1ccc(O)cc1)Cc1ccc(O)cc1
Cc1nccn1CC2CCc3c(c4ccccc4n3C)C2=O
Cc1nccn1C[C@H]1CCc2c(C1=O)c1cccc3CCCn2c13
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1)C(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCC(N)=O)cc1
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C(\NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)=C/c1ccccc1)C(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
C[C@H]1CC=CC(=O)[C@@H]1C(=O)C[C@@H]1CCC[NH+]1CCCO |c:3|
O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCc2ccccc12 |w:17.19|
Fc1ccc(cc1)C(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
Fc1ccc2CCCC(N3CCC4(CC3)N(CNC4=O)c3ccccc3)c2c1 |w:8.8|
Fc1cccc2CCCC(N3CCC4(CC3)N(CNC4=O)c3ccccc3)c12 |w:9.9|
O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCc2ccccc12
O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCc2ccccc12
O=C1NCN(c2ccccc2)C11CCN(CC1)C1c2ccccc2CCc2ccccc12
O=C1NCN(c2ccccc2)C11CCN(CC1)C1c2ccccc2C=Cc2ccccc12 |c:28|
CC(C)CCC(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1
O=C1NCN(c2ccccc2)C11CCN(CC1)C(C1CCCC1)c1ccccc1 |w:17.19|
CC1(C)CCC(N2CCC3(CC2)N(CNC3=O)c2ccccc2)c2cc(Cl)c(Cl)cc12 |w:5.5|
CC1(C)CCC(N2CCC3(CC2)N(CNC3=O)c2ccccc2)c2ccc(Cl)cc12 |w:5.5|
CC1(C)CCC(N2CCC3(CC2)N(CNC3=O)c2ccccc2)c2ccc(F)cc12 |w:5.5|
Fc1cccc(c1)C(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1cccc(F)c1
CCCC(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1
CCC(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1
CCCCC(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1
CC(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1
Cc1ccccc1C(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1 |w:7.8|
Clc1ccccc1C(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1 |w:7.8|
Clc1ccc2CCCC(N3CCC4(CC3)N(CNC4=O)c3ccccc3)c2c1 |w:8.8|
O=C1NCN(c2ccccc2)C11CCN(Cc2ccsc2)CC1
Cc1ccccc1C(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1C
Clc1ccccc1CN1CCC2(CC1)N(CNC2=O)c1ccccc1
Clc1ccc(cc1)C(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1 |w:7.8|
Clc1cccc2C(CCCc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |w:6.12|
Clc1ccccc1C(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1Cl
Clc1cccc2CCCC(N3CCC4(CC3)N(CNC4=O)c3ccccc3)c12 |w:9.9|
Clc1cccc(c1)C(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1cccc(Cl)c1
Fc1ccccc1C(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1F
O=C1NCN(c2ccccc2)C11CCN(Cc2ccccc2)CC1
Fc1cccc2C(CCCc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |w:6.12|
O=C1NCN(c2ccccc2)C11CCN(Cc2ccccn2)CC1
O=C1NCN(c2ccccc2)C11CCN(CC2CCCCC2)CC1
CC(C)[C@H](NC(=O)[C@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)NCC(N)=O
O=C1NCN(c2ccccc2)C11CCN(Cc2cccnc2)CC1
Fc1ccccc1C(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1 |w:7.8|
CCCC[C@H](NC(=O)[C@H]1NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O
CC(C)[C@@H](NC(=O)[C@H]1NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@H]1NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)NCC(N)=O
CC(C)[C@@H](NC(=O)[C@@H]1NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(N)=O
CCCC[C@H](NC(=O)[C@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)NCC(N)=O
CC(C)[C@@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CC(O)=O)C(=O)N1)C(=O)NCC(N)=O
CC(C)[C@@H](NC(=O)[C@@H]1NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)NCC(N)=O
CCCC[C@H](NC(=O)[C@H]1NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
CCCCCC(=O)NCCC[NH+]1CCC[C@H]1CC(O)=O |w:11.10|
CCCCCC(=O)NCCC[NH+]1CCCC1CC(=O)c1c(C)cccc1O
NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccc(F)cc1 |TLB:1:3:10:6.7|
Cc1ccccc1C(N1C2CCC1CC(O)(C2)c1ccccc1)c1ccccc1C |THB:15:14:8:10.11|
OC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:0:1:8:4.5|
OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccccc1
NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:1:3:10:6.7|
CN(C)C(=O)N[C@H]1CC[C@H](CCN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)CC1 |r,wU:16.16,13.12,6.5,wD:9.9,18.21,TLB:11:12:18.19.17:14.15,(-3.99,-5.38,;-5.4,-6.01,;-6.65,-5.11,;-5.55,-7.54,;-6.96,-8.18,;-4.3,-8.44,;-2.9,-7.81,;-2.74,-6.28,;-1.34,-5.65,;-.1,-6.55,;1.3,-5.91,;2.56,-6.8,;4.18,-5.87,;4.75,-7.8,;3.24,-7.52,;2.58,-6.03,;3.14,-4.74,;4.63,-4.34,;5.87,-5.26,;5.92,-6.79,;7.24,-4.55,;8.54,-5.37,;8.47,-6.92,;9.78,-7.74,;11.14,-7.03,;11.2,-5.48,;9.9,-4.66,;12.56,-4.76,;13.87,-5.58,;12.62,-3.22,;-.24,-8.08,;-1.65,-8.71,)|
NC(=O)c1cccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3CC2CCCCC2)c1 |r,TLB:17:16:9.10.15:12.13|
Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)s1 |r,TLB:5:6:12.13.11:8.9|
NC(=O)c1cccc(N[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
NC(=O)c1cccc(c1)S(=O)[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 |r,TLB:19:18:17.11.12:15.14|
CN(C)C(=O)N[C@H]1CC[C@H](CN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)CC1 |r,wU:15.15,12.11,6.5,wD:9.9,17.20,TLB:10:11:17.18.16:13.14,(2.63,-3.14,;1.38,-2.24,;1.53,-.7,;-.03,-2.87,;-1.28,-1.97,;-.18,-4.4,;1.07,-5.3,;2.47,-4.67,;3.72,-5.56,;3.57,-7.09,;4.82,-7.98,;6.44,-7.05,;7.01,-8.98,;5.5,-8.7,;4.84,-7.22,;5.4,-5.92,;6.89,-5.52,;8.14,-6.45,;8.18,-7.97,;9.5,-5.73,;10.8,-6.55,;10.74,-8.1,;12.04,-8.92,;13.4,-8.21,;13.46,-6.66,;12.16,-5.84,;14.82,-5.94,;16.13,-6.76,;14.88,-4.4,;2.17,-7.74,;.91,-6.83,)|
CN(C)C(=O)N[C@@H]1CC[C@H](CN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)CC1 |r,wU:15.15,12.11,wD:9.9,17.20,6.5,TLB:10:11:17.18.16:13.14,(6.65,-9.2,;5.4,-8.3,;5.56,-6.77,;4,-8.94,;2.75,-8.04,;3.85,-10.47,;5.1,-11.37,;6.5,-10.74,;7.75,-11.63,;7.6,-13.16,;8.85,-14.05,;10.47,-13.12,;11.04,-15.05,;9.53,-14.77,;8.87,-13.28,;9.43,-11.99,;10.92,-11.59,;12.17,-12.51,;12.21,-14.04,;13.53,-11.8,;14.83,-12.62,;14.76,-14.17,;16.07,-14.99,;17.43,-14.27,;17.49,-12.73,;16.19,-11.91,;18.85,-12.01,;20.16,-12.83,;18.91,-10.47,;6.2,-13.8,;4.94,-12.9,)|
CN(C)C(=O)N[C@@H]1CC[C@H](CCN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)CC1 |r,wU:16.16,13.12,wD:9.9,18.21,6.5,TLB:11:12:18.19.17:14.15,(4,-10.81,;2.6,-11.44,;1.35,-10.54,;2.44,-12.97,;1.04,-13.61,;3.69,-13.87,;5.1,-13.24,;5.25,-11.71,;6.65,-11.08,;7.9,-11.98,;9.3,-11.34,;10.55,-12.23,;12.17,-11.3,;12.75,-13.23,;11.23,-12.95,;10.57,-11.46,;11.14,-10.17,;12.63,-9.77,;13.87,-10.69,;13.92,-12.22,;15.23,-9.98,;16.54,-10.8,;16.47,-12.35,;17.77,-13.17,;19.14,-12.45,;19.2,-10.91,;17.9,-10.09,;20.56,-10.19,;21.86,-11,;20.62,-8.65,;7.76,-13.51,;6.35,-14.14,)|
NC(=O)c1cccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
NC(=O)c1cccc(C[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
NC(=O)c1cccc(S[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
NC(=O)c1cccc(C[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=C)CC[C@@]35O |r|
C[C@H]1CN(CCCc2cccs2)CC[C@@]1(C)c1cccc(O)c1
C[C@@H]1CN([C@@H](c2cccc(O)c2)c2ccc3CCN(Cc3c2)C(=O)CC(O)=O)[C@@H](C)CN1Cc1ccccc1
C[C@@H]1CN([C@@H](c2cccc(O)c2)c2ccc3CCN(Cc3c2)C(=O)C(O)=O)[C@@H](C)CN1Cc1ccccc1
COc1cccc(c1)[C@H](N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C)c1ccc2CCN(CC(O)=O)Cc2c1
CC(C)C[C@@H](C(=O)O)NC(=O)c1cc(n(n1)c2ccnc3c2ccc(c3)Cl)c4c(cccc4OC)OC
C[C@H]1[C@H]2Cc3ccc(cc3[C@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccc(O)cc1 |r,TLB:15:14:1:4.9.3|
CC1C2Cc3ccc(cc3C1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1cccc(O)c1 |TLB:15:14:1:4.9.3,8:9:1:14.13.12|
CC1C2Cc3ccc(cc3C1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccc1O |TLB:15:14:1:4.9.3,8:9:1:14.13.12|
COc1ccc(cc1OC)-c1ccc(CCNC(=O)c2ccc3CC4C(C)C(C)(CCN4CC4CC4)c3c2)cc1 |TLB:32:31:25:22.36.23,37:36:25:31.30.29|
CC1C2Cc3ccc(cc3C1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccc2OCOc2c1 |TLB:15:14:1:4.9.3,8:9:1:14.13.12|
COc1ccc(cc1C)-c1ccc(CCNC(=O)c2ccc3CC4C(C)C(C)(CCN4CC4CC4)c3c2)cc1 |TLB:31:30:24:21.35.22,36:35:24:30.29.28|
COc1ccc(c(C)c1)-c1ccc(CCNC(=O)c2ccc3CC4C(C)C(C)(CCN4CC4CC4)c3c2)cc1 |TLB:31:30:24:21.35.22,36:35:24:30.29.28|
C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc2ccccc2c1 |w:2.2,TLB:8:9:1:14.13.12,15:14:1:4.9.3|
COc1ccc2cc(CCNC(=O)c3ccc4CC5C(C)C(C)(CCN5CC5CC5)c4c3)ccc2c1 |TLB:26:25:19:16.30.17,31:30:19:25.24.23|
CC1C2Cc3ccc(cc3C1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccc(OC(F)F)cc1 |TLB:15:14:1:4.9.3,8:9:1:14.13.12|
CC1C2Cc3ccc(cc3C1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccc(OC(F)(F)F)cc1 |TLB:15:14:1:4.9.3,8:9:1:14.13.12|
COc1cccc(c1)-c1ccc(CCNC(=O)c2ccc3CC4C(C)C(C)(CCN4CC4CC4)c3c2)cc1 |TLB:30:29:23:20.34.21,35:34:23:29.28.27|
CC(C)Oc1ccc(cc1)-c1ccc(CCNC(=O)c2ccc3CC4C(C)C(C)(CCN4CC4CC4)c3c2)cc1 |TLB:32:31:25:22.36.23,37:36:25:31.30.29|
COc1ccc(cc1)-c1ccc(CCNC(=O)c2ccc3CC4[C@H](C)[C@](C)(CCN4CC4CC4)c3c2)cc1 |w:22.22,TLB:35:34:23:29.28.27,30:29:23:20.34.21|
CC(C)Oc1ccccc1-c1ccc(CCNC(=O)c2ccc3CC4C(C)C(C)(CCN4CC4CC4)c3c2)cc1 |TLB:32:31:25:22.36.23,37:36:25:31.30.29|
CC(C)Oc1cccc(c1)-c1ccc(CCNC(=O)c2ccc3CC4C(C)C(C)(CCN4CC4CC4)c3c2)cc1 |TLB:32:31:25:22.36.23,37:36:25:31.30.29|
CCOc1ccc(cc1)-c1ccc(CCNC(=O)c2ccc3CC4C(C)C(C)(CCN4CC4CC4)c3c2)cc1 |TLB:31:30:24:21.35.22,36:35:24:30.29.28|
COc1ccccc1-c1ccc(CCNC(=O)c2ccc3CC4C(C)C(C)(CCN4CC4CC4)c3c2)cc1 |TLB:30:29:23:20.34.21,35:34:23:29.28.27|
C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
CC1C2Cc3ccc(O)cc3C1(C)CCN2CC1CC1 |TLB:16:15:1:3.4.10|
C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1ccc(Cl)cc1NC(C)=O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCCSC(C)(C)[C@@H](NC(=O)C2(Cc3ccccc3C2)NC1=O)C(O)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCCSC(C)(C)[C@@H](NC(=O)C2(Cc3ccccc3C2)NC1=O)C(=O)N[C@@H](CO)C(O)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCCSC(C)(C)[C@@H](NC(=O)C2(Cc3ccccc3C2)NC1=O)C(=O)N[C@@H](CO)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCCSC(C)(C)[C@@H](NC(=O)C2(Cc3ccccc3C2)NC1=O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(N)=O |r|
CC(C)[C@H](NC(=O)[C@@H](NC(=O)C1(CCCC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C1(CC1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C1(CCCCC1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)C1(CC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C1(CCCCC1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C1(CCCC1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)C1(CCCCC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C1(CCCCC1)NC(=O)C1(CCCCC1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Cc1nn(cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc21)-c1c(F)cccc1F
Cc1nn(cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc21)-c1ncccc1F
CN(C)Cc1cccc(F)c1-n1cc(CN2CCC3(CC2)OCC(F)(F)c2cc(Cl)sc32)c(C)n1
CN(C)Cc1cccnc1-n1cc(CN2CCC3(CC2)OCC(F)(F)c2cc(Cl)sc32)c(C)n1
Cc1nn(cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc21)-c1c(F)cccc1CO
CNCc1cccc(F)c1-n1cc(CN2CCC3(CC2)OCC(F)(F)c2cc(Cl)sc32)c(C)n1
Cc1nn(cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc21)-c1ncccc1-c1ncc[nH]1
Cc1nn(cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc21)-c1ncccc1CO
COCc1cccnc1-n1cc(CN2CCC3(CC2)OCC(F)(F)c2cc(Cl)sc32)c(C)n1
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6@@H](-[#6])-c1c(-[#6])cccc1-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCCN)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6@@H](-[#6])-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Cc1cccc(C)c1C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCCN)C(O)=O |r|
Cc1cc(C)c(C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)N[C@@H](CCCCN)C(O)=O)c(C)c1 |r|
CC(C)c1cccc(C)c1C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCCN)C(O)=O |r|
CCc1cccc(C)c1C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCCN)C(O)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCCCN)C(O)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCCN)C(O)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(O)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(O)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O |r|
Cc1cc(C)c(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(N)=O)c(C)c1 |r|
Cc1cccc(C)c1C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(N)=O |r|
Cc1cc(C)c(C[C@H](NC(=O)[C@H](Cc2c(C)cc(C)cc2C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(N)=O)c(C)c1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O |r|
Cc1cc(C)c(C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(N)=O)c(C)c1 |r|
Cc1cccc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(OCc2cn(nn2)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cn(nn1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](COCc1cn(nn1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2cn(nn2)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)C(N)=O |r|
CN([C@H](CN1CCCC1)c1cccc(NC(=O)[C@@H](N)CC(O)=O)c1)C(=O)Cc1ccc(Cl)c(Cl)c1
CN([C@H](CN1CCCC1)c1cccc(NC(=O)[C@H](N)CC(O)=O)c1)C(=O)Cc1ccc(Cl)c(Cl)c1
[H][C@@]12O[C@@]34CC[C@@](O)(N(Cc5ccccc5)C1=O)[C@]2([H])[C@@]31CCN(CC2CC2)[C@]4([H])Cc2ccc(OC)c(O)c12 |r,TLB:24:23:3:39.31.30,THB:7:6:20:1.2|
[H][C@]12O[C@]34CC[C@@]5(OCOc6c(O)ccc7C[C@@]3([H])N(CC3CC3)CC[C@]4(c67)[C@]15[H])N(Cc1ccccc1)C2=O |r,TLB:20:19:3:27.15.16,THB:7:6:26:1.2|
[H][C@]12O[C@]34CC[C@@]5(OCOc6c(O)ccc7C[C@@]3([H])N(C)CC[C@]4(c67)[C@]15[H])N(Cc1ccccc1)C2=O |r,TLB:20:19:3:24.15.16,THB:7:6:23:1.2|
[H][C@]12O[C@]34CC[C@@]5(OCOc6c(O)ccc7C[C@@]3([H])N(CC(C)C)CC[C@]4(c67)[C@]15[H])N(Cc1ccccc1)C2=O |r,TLB:20:19:3:27.15.16,THB:7:6:26:1.2|
[H][C@]12O[C@]34CC[C@@]5(OCOc6c(O)ccc7C[C@@]3([H])N(CC=C)CC[C@]4(c67)[C@]15[H])N(Cc1ccccc1)C2=O |r,TLB:20:19:3:26.15.16,THB:7:6:25:1.2|
[H][C@]12O[C@]34CC[C@@]5(OCOc6c(O)ccc7C[C@@]3([H])N(CCc3ccccc3)CC[C@]4(c67)[C@]15[H])N(Cc1ccccc1)C2=O |r,TLB:20:19:3:31.15.16,THB:7:6:30:1.2|
[H][C@]12O[C@]34CC[C@@]5(OCOc6c(O)ccc7C[C@@]3([H])N(CC3CC3)CC[C@]4(c67)[C@]15[H])N(C2=O)c1ccccc1 |r,TLB:20:19:3:27.15.16,THB:7:6:26:1.2|
[H][C@]12O[C@]34CC[C@@]5(OCOc6c(O)ccc7C[C@@]3([H])N(CC3CC3)CC[C@]4(c67)[C@]15[H])N(CCc1ccccc1)C2=O |r,TLB:20:19:3:27.15.16,THB:7:6:26:1.2|
CCOC(=O)c1cc(C(=O)OC)c(C)nc1N1CCC(CC1)NC1CCCCC1O
COC(=O)c1cc(Br)cnc1N1CC[C@@H](NC2CCCCC2)[C@H](O)C1 |r|
C[C@H]1CN(CCOC(=O)[C@H]2Cc3ccc(O)cc3CN2)CC[C@@]1(C)c1cccc(O)c1 |r|
C[C@H]1CN(CCCOC(=O)[C@H]2Cc3ccc(O)cc3CN2)CC[C@@]1(C)c1cccc(O)c1 |r|
CCOC(=O)C(CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)OC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r|
CC1CN(CCCc2ccccc2)C2C[C@H](N)CC1(C2)c1cccc(O)c1 |TLB:16:15:19:3.1.2,THB:0:1:19:14.17.15,4:3:19:14.17.15|
CC1CN(CCCc2ccccc2)C2C[C@@H](CC1(C2)c1cccc(O)c1)NCC1CC1 |r,THB:0:1:18:16.15.14,4:3:18:16.15.14|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@](C)(O)c1ccncc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@H](O)c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)c1cccs1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@](O)(CC)c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@@](O)(CC)c4ccccc4)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,21.28,wD:31.37,7.7,17.41,c:40,THB:10:9:17:4.5.6,(9.2,-13.96,;9.21,-12.24,;7.62,-13.15,;6.17,-12.24,;6.91,-10.92,;6.17,-9.6,;6.91,-8.27,;8.41,-8.27,;9.74,-7.49,;8.45,-6.72,;9.22,-5.36,;10.76,-5.34,;12.1,-6.1,;12.08,-4.57,;7.66,-7.7,;7.66,-9.59,;8.45,-10.92,;9.23,-9.6,;10.76,-9.6,;11.54,-10.93,;12.31,-9.6,;13.08,-10.94,;13.84,-12.27,;14.64,-10.94,;15.43,-12.3,;13.86,-9.6,;15.41,-9.61,;16.19,-8.27,;15.42,-6.92,;13.86,-6.92,;13.09,-8.26,;10.75,-12.26,;11.51,-13.61,;10.73,-14.94,;9.46,-11.46,;10.56,-10.37,;4.62,-9.6,;3.84,-10.92,;4.62,-12.24,;3.82,-13.6,)|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@@](O)(CC)C(C)(C)C)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,21.28,wD:29.34,7.7,17.38,c:37,THB:10:9:17:4.5.6,(9.21,-13.98,;9.22,-12.26,;7.63,-13.17,;6.17,-12.26,;6.92,-10.94,;6.17,-9.62,;6.92,-8.28,;8.42,-8.28,;9.75,-7.5,;8.46,-6.73,;9.24,-5.36,;10.78,-5.35,;12.11,-6.11,;12.1,-4.57,;7.67,-7.71,;7.67,-9.6,;8.46,-10.94,;9.24,-9.62,;10.78,-9.62,;11.56,-10.94,;12.33,-9.61,;13.1,-10.95,;13.87,-12.29,;13.88,-9.61,;13.11,-8.27,;14.67,-10.95,;15.45,-9.59,;15.45,-12.31,;16.24,-10.95,;10.76,-12.28,;11.53,-13.63,;10.74,-14.97,;9.47,-11.48,;10.58,-10.39,;4.63,-9.62,;3.84,-10.94,;4.63,-12.26,;3.83,-13.62,)|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@](O)(CC)C(C)(C)C)ccc3O |r,THB:10:9:17:4.5.6|
CC(C)[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(O)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)N(Cc1ccccc1)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCC1CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)N(CC=C)CC=C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCC=C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)N(CC1CC1)CC1CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
CN1CCC23[C@H]4Oc5c2c(CC1[C@@H]3C[C@@]1(CCc2ccccc2C1)C4=O)ccc5O |THB:7:8:12:1.3.2,0:1:12:8.9.10|
CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)C[C@]1(CCc2ccccc2C1)C4=O)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)[C@]1(CCc2ccccc2C1)C[C@@]35O |TLB:33:32:18.4.5:7.13.12,THB:17:18:32:7.13.12,8:7:32:18.4.5|
CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)C[C@@]1(CCc2ccccc2C1)C4=O)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)[C@@]1(CCc2ccccc2C1)C[C@@]35O |TLB:33:32:18.4.5:7.13.12,THB:17:18:32:7.13.12,8:7:32:18.4.5|
CN1CCC23[C@H]4Oc5c2c(CC1[C@@H]3C[C@]1(CCc2ccccc2C1)C4=O)ccc5O |THB:7:8:12:1.3.2,0:1:12:8.9.10|
Oc1ccc2C[C@]34CCC(=O)C[C@]3(CCN(CC3CC3)C4)c2c1 |r|
Oc1ccc2C[C@@]34CN(CC5CC5)CC[C@@]3(Cc3nc5ccccc5cc3C4)c2c1 |r|
Oc1ccc2C[C@@]34CN(CC5(O)CC5)CC[C@@]3(Cc3nc5ccccc5cc3C4)c2c1 |r|
Oc1ccc2C[C@@]34CN(Cc5ccccc5)CC[C@@]3(Cc3nc5ccccc5cc3C4)c2c1 |r|
CN1CC[C@]23Cc4nc5ccccc5cc4C[C@]2(Cc2ccc(O)cc32)C1 |r|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@]2(OCCF)[C@H](C1)C(C)(C)O)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OCCF)[C@]([H])(C1)[C@](C)(O)C(C)(C)C)ccc3O |r,TLB:28:25:16.1:19.18,THB:10:9:17:5.4.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]51C[C@]([H])([C@@](C)(O)CCc4ccccc4)[C@@]2(OCCF)C=C1)ccc3O |r,wU:13.12,29.34,1.0,18.22,16.19,wD:7.7,14.40,c:39,THB:10:9:14:4.5.6,(38.27,-13.82,;38.28,-12.11,;36.7,-13.02,;35.26,-12.11,;36.01,-10.81,;35.26,-9.49,;36.01,-8.17,;37.49,-8.17,;38.81,-7.4,;37.53,-6.64,;38.3,-5.29,;36.75,-7.61,;36.75,-9.48,;37.53,-10.81,;38.3,-9.49,;39.83,-9.49,;40.59,-10.82,;40.99,-9.32,;42.14,-10.83,;42.92,-9.49,;42.9,-12.17,;43.68,-10.83,;44.45,-9.49,;46,-9.48,;46.77,-10.83,;48.31,-10.82,;49.08,-9.48,;48.3,-8.14,;46.76,-8.15,;39.81,-12.14,;40.57,-13.47,;39.79,-14.81,;40.55,-16.15,;39.76,-17.49,;39.79,-10.63,;38.3,-11.04,;33.73,-9.49,;32.96,-10.81,;33.73,-12.11,;32.95,-13.46,)|
C[C@H]1CN(Cc2cc3ccccc3s2)CC[C@@]1(C)c1cccc(O)c1
C[C@H]1CN(CC[C@@]1(C)c1cccc(O)c1)C1CCCC(O)(C1)c1ccccc1
C[C@H]1CN(C\C=C/c2ccccc2)CC[C@@]1(C)c1cccc(O)c1
C[C@H]1CN(Cc2cc3ccccc3o2)CC[C@@]1(C)c1cccc(O)c1
C[C@H]1CN(CC[C@@]1(C)c1cccc(O)c1)C1CCCC(O)C1
C[C@H]1CN(CC[C@@]1(C)c1cccc(O)c1)C1CCCC1
C[C@H]1CN(CC[C@@]1(C)c1cccc(O)c1)C1CCCCC1
[H][C@@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2Cc1ccccc1)C(=O)Cc1ccccc1 |r|
[H][C@@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
[H][C@@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2)C(=O)Cc1ccccc1 |r|
[H][C@@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
[H][C@@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Cc1cc(O)cc(C)c1CC(N)C(=O)N[C@H](CCCN=C(N)N[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(N)=O |w:19.19|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(N)=O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(O)=O
Cc1cc(O)cc(C)c1CC(N)C(=O)N[C@H](CCCN=C(N)N[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(O)=O |w:19.19|
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Oc1cccc(CN2CCN(Cc3ccccc3)CC2)c1
Oc1cccc(c1)C(N1CCN(Cc2ccccc2)CC1)c1ccccc1
CC(C)CC(N1CCN(Cc2ccccc2)CC1)c1cccc(O)c1
Oc1cccc(c1)C(N1CCN(Cc2ccccc2)CC1)c1ccc(cc1)-c1ccccc1
COc1ccc(C[C@H](N)C(=O)N[C@H]2C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC2(C)C)cc1
COc1cccc(c1)C(N1CCN(Cc2ccccc2)CC1)c1ccc(cc1)C(C)(C)C
CC(N1CCN(Cc2ccccc2)CC1)c1cccc(O)c1
O=c1[nH]c2ccccc2n1C1CCN(Cc2ccccc2)CC1
O=c1[nH]c2ccccc2n1C1CCN(CC2CCCCCCC2)CC1
CCn1c2ccccc2n([C@H]2CCN(CC3CCCCCCC3)C[C@@H]2CO)c1=O
CCn1c2ccccc2n(C2CCN(CC3CCCCCCC3)CC2)c1=O
CC(N1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccccc1Cl
CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1cccc2cnccc12
CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1ccc2ncccc2c1
CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(CC1)C(C)=O)c1ccccc1
CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1ccc(OC)cc1
CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1ccc(C)cc1
CCN(CC)C(=O)c1ccc(cc1)C(N1CCCNCC1)c1ccccc1
CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1ccc(Cl)cc1
CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1ccc2cc[nH]c2c1
CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1cccc(F)c1
CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1ccc2ccccc2c1
CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1cccc(OC)c1
CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(C)CC1)c1ccccc1
CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1cccc2ccccc12
CCN(CC)C(=O)c1ccc(cc1)C(C1CCCCC1)N1CCNCC1
COC(=O)c1ccc(cc1)C(N1CCNCC1)c1ccccc1
OC(=O)c1ccc(cc1)C(N1CCNCC1)c1ccccc1
CCN(CC)S(=O)(=O)c1ccc(cc1)C(N1CCNCC1)c1ccccc1
CC(C)(O)c1ccc(cc1)C(N1CCNCC1)c1ccccc1
CC(=O)c1ccc(cc1)C(N1CCNCC1)c1ccccc1
CCN(CC)C(=O)c1ccc(cc1)C(C1CCNCC1)c1ccccc1
CCNC(=O)c1ccc(cc1)C(N1CCNCC1)c1ccccc1
CCN(CC)Cc1ccc(cc1)C(N1CCNCC1)c1ccccc1
CCN(CC)C(=O)c1ccc(cc1)C(N1CCOCC1)c1ccccc1
CCN(CC)C(=O)c1ccc(cc1)C(N1CC(C)(C)NCC1C)c1cccc(OC)c1
CCC(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1ccccc1
CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1cccc2CC(C)(C)Oc12
CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1ccccc1
CCN(CC)C(=O)c1ccc(cc1)C(N1CC(C)NCC1(C)C)c1cccc(OC)c1
NC(=O)c1ccc(cc1)C(N1CCNCC1)c1ccccc1
CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1ccc2cccnc2c1
CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1cccc2cccnc12
CN(C)C(=O)c1ccc(cc1)C(N1CCNCC1)c1ccccc1
N#Cc1ccc(cc1)C(N1CCNCC1)c1ccccc1
CCCCN1CCN(CC1)C(c1ccccc1)c1ccc(cc1)C(=O)N(CC)CC
CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1ccnc2ccccc12
CCN(CC)C(=O)c1ccc(cc1)C(N1CCCCC1)c1ccccc1
CN1CCc2cc(ccc2C1=O)-c1ccc(cc1)C(N1CCNCC1)c1ccccc1
CCN(CC)C(=O)c1ccc(cc1)C(N(C)CCNC)c1ccccc1
C1CN(CCN1)C(c1ccccc1)c1ccc(cc1)-c1nnn[nH]1
CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(CC2CC2)CC1)c1ccccc1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]-1)\c1ccccc1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(-[#7])c1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7](-[#6]-[#6]-2-[#6]-[#6]-2)-[#6]-[#6]-1)\c1ccccc1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)\c1ccccc1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(c1)C(F)(F)F
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1)\c1ccccc1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccccc1F
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](\c1cccs1)=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc2ccccc12
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccc(-[#16]-[#6])cc1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccccc1)\c1ccccc1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccccc1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(c1)-[#6](-[#6])=O
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccc(Cl)c(Cl)c1
[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccccc1)-c1ccc(cc1)-[#6](=O)-[#7](-[#6]-[#6])-[#6]-[#6]
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccc(Cl)cc1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccc(-[#8]-[#6])cc1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1c(-[#6])cccc1-[#6]
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccccc1-[#8]-[#6]
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(c1)-[#7+](-[#8-])=O
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccc(F)cc1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7](-[#6]-[#6]=[#6])-[#6]-[#6]-1)\c1ccccc1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(-[#8]-[#6])c1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(F)c1
CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCC(O)=O)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(O)=O)C(N)=O
CC(=O)C(N)CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(N)=O)C(O)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(O)=O)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(O)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(O)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|
CC(=O)C(N)CCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
CC(=O)C(N)CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCC(N)=O)C(O)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCC(N)=O)C(O)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCC(O)=O)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(N)=O)C(O)=O
CNC(=O)c1ccc2CC3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |TLB:22:21:10:16.14.15,17:16:10:21.7.8|
C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)N(C)C |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
[H][C@]12Cc3ccc(cc3[C@@](C)(CCN1CC1CC1)[C@H]2C)C(N)=O |THB:7:8:18:13.11.12,14:13:18:8.3.2|
C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(O)=O |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)Nc1ccccc1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
C[C@@H]1[C@@H]2Cc3ccc(cc3[C@]1(C)CCN2CC1CC1)C(N)=O |TLB:15:14:1:9.4.3|
COC(=O)c1ccc2CC3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |TLB:22:21:10:16.14.15,17:16:10:21.7.8|
C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C#N |TLB:15:14:1:9.4.3,8:9:1:14.12.13|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CO
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNCc1ccccc1
COC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
[#6]-c1cc(-[#8])cc(-[#6])c1-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@H]-1-[#6]\[#7]=[#6](/[#7])-[#7]
CN(C)C[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1COCc1ccccc1
C[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=S)Nc1ccccc1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=S)NC(C)(C)C
CC(N)=NC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |w:3.3|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CN=[N+]=[N-]
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)NC(C)(C)C
CC(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNCC(C)(C)C
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1COCC=C
CCNC(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
CC(=O)OC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)C(C)(C)C
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)c1ccccc1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:32:33:37:31.30.36,THB:32:31:37:33.38.34,34:35:30:33.38.32,34:33:30:35.37.36|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CN
CC1(C)SC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
CC1(C)SC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
C[C@H]1C2N(CC3CC3)CC[C@]1(C)c1cc(O)ccc1C2=O |TLB:4:3:19.12.18:1,13:12:1:3.9.8,THB:20:19:1:3.9.8|
COc1ccc(CNc2ccc3CC4[C@H](C)[C@](C)(CCN4CC4CC4)c3c2)cc1 |TLB:21:20:14:25.11.12,26:25:14:20.18.19|
C[C@H]1C2Cc3cc4cc[nH]c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:11:12:1:17.16.15,18:17:1:4.12.3|
C[C@H]1C2Cc3cc4c(cc3[C@@]1(C)CCN2CC1CC1)[nH]c1ccccc41 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
C[C@H]1C2Cc3ccc(Nc4cccnc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:22:21:1:16.4.3,15:16:1:21.19.20|
[H][C@@]12Cc3ccc(N)cc3[C@](C)(CCN1CC1CC1)[C@@H]2C |THB:15:14:19:9.3.2,8:9:19:14.12.13|
[#6]-[#6@H]1-[#6]-2-[#6]-c3ccc(cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]-[#6]-1-[#6]-[#6]-1)\[#7]=[#6](\c1ccccc1)-c1ccccc1 |TLB:15:14:1:9.4.3,8:9:1:14.12.13|
C[C@H]1C2Cc3ccc(Nc4ccncc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:22:21:1:16.4.3,15:16:1:21.19.20|
COc1ccc(Nc2ccc3CC4[C@H](C)[C@](C)(CCN4CC4CC4)c3c2)cc1 |TLB:20:19:13:24.10.11,25:24:13:19.17.18|
C[C@H]1C2Cc3ccc(Nc4ccc(Cl)c(Cl)c4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:24:23:1:18.4.3,17:18:1:23.21.22|
C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C[C@@H]1CCCO1 |THB:16:15:1:10.4.3|
CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(N)cc21 |TLB:6:5:13.21.15:11,14:13:11:5.3.4,THB:20:21:11:5.3.4|
CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(Nc3ccccc3)cc21 |TLB:6:5:13.27.15:11,14:13:11:5.3.4,THB:26:27:11:5.3.4|
C[C@H]1C2Cc3ccc(Nc4ccccn4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:22:21:1:16.4.3,15:16:1:21.19.20|
COc1ccccc1Nc1ccc2CC3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |TLB:22:21:15:26.12.13,27:26:15:21.19.20|
[H][C@@]1(CN2CC[C@@]3(C)[C@@H](C)[C@@]2([H])Cc2ccc(Nc4ccccc4)cc32)CCCO1 |TLB:2:3:8:25.13.12,THB:24:25:8:3.5.4|
COc1cccc(Nc2ccc3CC4[C@H](C)[C@](C)(CCN4CC4CC4)c3c2)c1 |TLB:21:20:14:25.11.12,26:25:14:20.18.19|
[H][C@@]1(CN2CC[C@@]3(C)[C@@H](C)[C@@]2([H])Cc2ccc(N)cc32)CCCO1 |TLB:2:3:8:19.13.12,THB:18:19:8:3.5.4|
C[C@H]1C2Cc3ccc(Nc4ccc(cc4)C(C)(C)C)cc3[C@@]1(C)CCN2CC1CC1 |TLB:26:25:1:20.4.3,19:20:1:25.23.24|
C[C@H]1C2Cc3ccc(NCc4ccc(Cl)cc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:24:23:1:18.4.3,17:18:1:23.21.22|
[H][C@]12Cc3ccc(Nc4ccccc4)cc3[C@@](C)(CCN1CC1CC1)[C@H]2C |THB:21:20:25:15.3.2,14:15:25:20.18.19|
C[C@H]1C2N(CC3CC3)CC[C@]1(C)c1cc(N)ccc1C2=O |TLB:4:3:19.12.18:1,13:12:1:3.9.8,THB:20:19:1:3.9.8|
C[C@H]1[C@H]2Cc3ccc(N)cc3[C@@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3|
C[C@H]1C2Cc3ccc(Nc4ccc(cc4)N(C)C)cc3[C@@]1(C)CCN2CC1CC1 |TLB:25:24:1:19.4.3,18:19:1:24.22.23|
C[C@H]1C2Cc3ccc(Nc4ccc(cc4)C(F)(F)F)cc3[C@@]1(C)CCN2CC1CC1 |TLB:26:25:1:20.4.3,19:20:1:25.23.24|
C[C@H]1C2Cc3ccc(Nc4ccc(Cl)cc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:23:22:1:17.4.3,16:17:1:22.20.21|
C[C@H]1C2Cc3ccc(Nc4ccc(C)cc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:23:22:1:17.4.3,16:17:1:22.20.21|
[H][C@]12[#6]-[#6]-[#6]-[#6@H](-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]2)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
[H][C@]12[#6]-[#6]-[#6]-[#6@H](-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
[H][C@]12[#6]-[#6]-[#6]-[#6@H](-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]2)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#6](-[#7])=O
[H][C@]12CCC[C@H](N1C(=O)[C@H](CC2)NC(=O)[C@@H](CC1CCCCC1)NC(=O)CCCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(N)=O
[H][C@]12[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]1-[#6@@H](-[#6]-[#16]2)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
[H][C@]12CCC[C@H](N1C(=O)[C@H](CC2)NC(=O)[C@@H](CC1CCCCC1)NC(C)=O)C(=O)N[C@H](CCCNC(N)=O)C(N)=O
[H][C@]12[#6]-[#6]-[#6]-[#6@H](-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]2)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
[H][C@]12[#6]-[#6]-[#6]-[#6@H](-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]2)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
O=C1Cc2ccccc2N1C1CCN(C[C@H]2CC3CCC2C3)CC1 |r,THB:14:15:21:19.18|
O=C1Cc2ccccc2N1C1CCN(C[C@@H]2CC3CCC2C3)CC1 |r,THB:14:15:21:19.18|
O=C1Cc2ccccc2N1C1CCN(CC2CCCCCCC2)CC1
O=C1Cc2ccccc2N1C1CCN(CC1)C1C2CCCC1CCC2 |THB:13:16:19.18.20:23.24.22|
Oc1cccc2C[C@H]3N(CC4CC4)CCC4(CC(=O)CC[C@@]34OCCCc3ccccc3)c12 |TLB:9:8:21:32.5.6|
COc1cccc2C[C@H]3N(CC4CC4)CCC4(CC(=O)CC[C@@]34OCCCc3ccccc3)c12 |TLB:10:9:22:33.6.7|
O=C1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4cccc5OC1C2(CCN3CC1CC1)c45 |TLB:28:27:4:32.17.16|
CCCCOc1cccc2C[C@H]3N(CC4CC4)CCC4(CC(=O)CC[C@@]34OC)c12 |TLB:13:12:25:28.9.10|
Cc1[nH]c(nc1-c1ccccc1)[C@@H]1CCCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
CN(C)C(=O)C(CCN1CCC(CC1)(c2ccc(cc2)Cl)O)(c3ccccc3)c4ccccc4
N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c(Br)[nH]1)-c1ccccc1
Cc1[nH]c(nc1-c1ccccc1)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1
CCCc1nc([nH]c1C)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1
N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCc1ccccc1
N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1
N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc2ccccc2[nH]1
Clc1ccc(cc1Cl)C1CC=CCN(C(CN2CCCC2)c2ccccc2)C1=O |c:11|
CN(C(CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1
FC(F)(F)c1ccc(cc1)C1CC=CCN(C(CN2CCCC2)c2ccccc2)C1=O |c:13|
CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CO)C(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1OC(C)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H](CO)C(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CO)C(N)=O
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)C(N)=O
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC(O)C[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)C(=O)O[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1OC(C)=O
CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)C(=O)O[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1OC(C)=O
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1OC(C)=O
CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)Cc2ccccc2)cc1
CC(C)S(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1
CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)Cc2cccs2)cc1
CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CCCNS(C)(=O)=O)cc1
CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(CNS(C)(=O)=O)cc1
CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccccc1CNS(C)(=O)=O
CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccccc1CNC(C)=O
CNC(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)cc1
CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CCNS(C)(=O)=O)cc1
CCS(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1
CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)c2ccccc2)cc1
CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(NS(C)(=O)=O)cc1
CCCCS(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1
CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1
CCCS(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1
CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1
CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(C)(=O)=O)cc1
CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1cccc(CNS(C)(=O)=O)c1
CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc2CN(Cc2c1)S(C)(=O)=O
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(SC)cc2)cc1N1CCN(C)CC1
COc1ccccc1N1CCC(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)cc2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2F)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2Cl)cc1N1CCN(C)CC1
COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
O=C1N(Cc2ccccc2)c2ccccc2C11CCN(CC2CCCCCCC2)CC1
COc1ccc2c(c1)N(CC1CC1)C(=O)C21CCN(CC2CCCCCCC2)CC1
CC(C)c1ccc2N(C)C(=O)C3(CCN(CC4CCCCCCC4)CC3)c2c1
O=C1Nc2ccccc2C11CCN(CC2CCCCCCC2)CC1
O=C1N(CC2CO2)c2ccccc2C11CCN(CC2CCCCCCC2)CC1
CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccc(C)cc12
CCN(CC(O)CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc12)Cc1ccc(C)cc1
CCCN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2cc(ccc12)C(C)C
CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2cc(F)ccc12
CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccc(O)cc12
OC(CNCCN1CCOCC1)CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc12
CC(=O)OCCN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc12
CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2cc(ccc12)C(F)(F)F
OC(=O)CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc12
CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2cc(C)ccc12
CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2c1cccc2C
CCN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccc(OC)cc12
COC(=O)CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc12
CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc12
COc1ccc2c(c1)N(C)C(=O)C21CCN(CC2CCCCCCC2)CC1
CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C1CCc2cc(NC(C)=O)ccc2O1
COC(=O)Nc1ccc2OC(CCc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1
CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)c1cc2ccccc2o1
CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C1Cc2cc(NC(C)=O)ccc2O1
CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@H]1CCc2ccccc2O1
COC(=O)Nc1ccc2O[C@H](Cc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1
Fc1ccc(NC(=O)N2CCC(CC2)(c2nccn2Cc2ccccc2)c2ccccc2)cc1
COc1cccc(NC(=O)N2CCC(CC2)(c2nccn2Cc2ccccc2)c2ccccc2)c1
C(c1ccccc1)n1ccnc1C1(CCN(CC1)c1ncccn1)c1ccccc1
COc1ccccc1NC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Fc1ccccc1Cn1ccnc1C1(CCN(CC1)C(=O)Nc1ccccc1)c1ccccc1
CN1CCN(CC1)C(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
CCNC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
O=C(Nc1ccccc1)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
COc1cccc(Cn2ccnc2C2(CCN(CC2)C(=O)Nc2ccccc2)c2ccccc2)c1
COc1ccc(NC(=O)N2CCC(CC2)(c2nccn2Cc2ccccc2)c2ccccc2)cc1
Fc1ccc(Cn2ccnc2C2(CCN(CC2)C(=O)Nc2ccccc2)c2ccccc2)cc1
Fc1cccc(NC(=O)N2CCC(CC2)(c2nccn2Cc2ccccc2)c2ccccc2)c1
O=S(=O)(Nc1ccccc1)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
CN(C(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1)c1ccccc1
NC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
CC(c1ccccc1)n1ccnc1C1(CCN(CC1)C(=O)Nc1ccccc1)c1ccccc1
C(c1ccccc1)n1ccnc1C1(CCN(CC1)c1nc2ccccc2s1)c1ccccc1
NS(=O)(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Cn1c(nc2ccccc12)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Fc1ccccc1NC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Fc1cccc(Cn2ccnc2C2(CCN(CC2)C(=O)Nc2ccccc2)c2ccccc2)c1
C(c1ccccc1)n1ccnc1C1(CCN(CC1)c1nccs1)c1ccccc1
O=C(Nc1ccccc1)N1CCC(CC1)(c1nccn1C(=O)c1ccccc1)c1ccccc1
O=C(Nc1ccccc1)N1CCC(CC1)(c1nccn1Cc1ccccn1)c1ccccc1
O=C(Nc1ccccc1)N1CCC(CC1)(c1ncc[nH]1)c1ccccc1
CS(=O)(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O
C[C@H]1CN(CCc2ccccc2)[C@H](CCN)C[C@@]1(C)c1cccc(O)c1
C[C@H]1CN(CCc2ccccc2)[C@H](CCNC(C)=O)C[C@@]1(C)c1cccc(O)c1
C[C@H]1CN(CCc2ccccc2)[C@H](CCNC(=O)c2ccccc2)C[C@@]1(C)c1cccc(O)c1
CCC[C@@H]1C[C@](C)([C@@H](C)CN1C)c1cccc(O)c1
CCC[C@@H]1C[C@](C)([C@@H](C)CN1CC)c1cccc(O)c1
C[C@H]1CN(CCc2ccccc2)[C@@H](C[C@@]1(C)c1cccc(O)c1)c1ccccc1
CCC[C@@H]1C[C@](C)([C@@H](C)CN1Cc1ccccc1)c1cccc(O)c1
CCC[C@@H]1C[C@](C)([C@@H](C)CN1CCCc1ccccc1)c1cccc(O)c1
CC[C@@H]1C[C@](C)([C@@H](C)CN1CCc1ccccc1)c1cccc(O)c1
CCCCCCN1C[C@H](C)[C@@](C)(C[C@H]1CCC)c1cccc(O)c1
C[C@H]1CN(CCc2ccccc2)[C@H](Cc2ccccc2)C[C@@]1(C)c1cccc(O)c1
C[C@H]1CN(CCc2ccccc2)[C@H](CCc2ccccc2)C[C@@]1(C)c1cccc(O)c1
CCCC[C@@H]1C[C@](C)([C@@H](C)CN1CCc1ccccc1)c1cccc(O)c1
CCCCCCCN1C[C@H](C)[C@@](C)(C[C@H]1CCC)c1cccc(O)c1
CC(C)[C@@H]1C[C@](C)([C@@H](C)CN1CCc1ccccc1)c1cccc(O)c1
CCC[C@@H]1C[C@](C)([C@@H](C)CN1CCc1ccccc1)c1cccc(O)c1
C[C@H]1CN(CCc2ccccc2)[C@H](CCCc2ccccc2)C[C@@]1(C)c1cccc(O)c1
C[C@@H]1C[C@](C)([C@@H](C)CN1CCc1ccccc1)c1cccc(O)c1
CCCCCN1C[C@H](C)[C@@](C)(C[C@H]1CCC)c1cccc(O)c1
CCC[C@@H]1C[C@](C)([C@@H](C)CN1)c1cccc(O)c1
CCC[C@@H]1C[C@](C)([C@@H](C)CN1CCC)c1cccc(O)c1
C[C@H]1CN(CCc2ccccc2)[C@H](CCN2CCCC2)C[C@@]1(C)c1cccc(O)c1
CCCCN1C[C@H](C)[C@@](C)(C[C@H]1CCC)c1cccc(O)c1
COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)[C@@H]1CCCN1Cc1ccccc1
c1ccc(cc1)CN2CCC[C@@H]2C(=O)NCCCN3CCC4(CC3)c5ccccc5CO4
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)c1ccccc1OCc1ccccc1
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)c1ccccc1Oc1ccccc1
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)c1ccccc1-c1ccccc1
O[C@@H](Cc1ccccc1)C(=O)NCCCN1CCC2(CCc3ccccc23)CC1
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)[C@H]1CCCN1Cc1ccccc1
COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccn(c1)S(C)(=O)=O
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccn(c1)S(=O)(=O)c1ccc(OC)cc1
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1nc(co1)C(=O)OC
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccn(c1)S(=O)(=O)c1ccccc1
NC[C@@H](O)Cn1cc(C2=CCN(CC2)C2Cc3cccc4cccc2c34)c2cc(ccc12)C#N |t:8|
Clc1cccc2c(c[nH]c12)C1CCN(CC2CCCCCCC2)CC1
Clc1cccc2c(c[nH]c12)C1CCN(CC1)C1Cc2cccc3cccc1c23
Fc1ccc2c(c[nH]c2c1)C1CCN(CC1)C1Cc2cccc3cccc1c23
CN(C)C[C@@H](O)Cn1cc(C2CCN(CC3CCCCCCC3)CC2)c2cc(F)ccc12
Fc1ccc2[nH]cc(C3CCN(CC4CCCCCCC4)CC3)c2c1
CN(C)C[C@@H](O)Cn1cc(C2CCN(CC2)C2Cc3cccc4cccc2c34)c2ccc(F)cc12
C(C1CCCCCCC1)N1CCC(CC1)c1c[nH]c2ncccc12
CC(C)(C)C1CCC(CC1)C(=O)N1CCC(CC1)c1c[nH]c2ncccc12 |(27.91,-29.65,;27.6,-28.14,;27.29,-26.63,;29.11,-27.83,;26.09,-28.44,;25.6,-29.91,;24.1,-30.22,;23.08,-29.07,;23.55,-27.6,;25.06,-27.3,;21.58,-29.39,;20.49,-28.3,;21.1,-30.85,;22.12,-32,;21.64,-33.45,;20.13,-33.77,;19.1,-32.63,;19.59,-31.16,;19.66,-35.24,;20.57,-36.49,;19.66,-37.75,;18.18,-37.27,;16.85,-38.04,;15.51,-37.27,;15.52,-35.72,;16.85,-34.95,;18.18,-35.71,)|
C(N1CCC(CC1)c1c[nH]c2ncccc12)c1ccc(Oc2ccccc2)cc1
Fc1ccc2[nH]cc(C3CCN(CC3)C3Cc4cccc5cccc3c45)c2c1
Fc1ccc2[nH]cc(C3CCN(Cc4cccc5ccccc45)CC3)c2c1
C(N1CCC(CC1)c1c[nH]c2ncccc12)c1cccc2ccccc12
CC(=O)OC1CN(CCC1c1cn(C)c2ncccc12)C1Cc2cccc3cccc1c23
Cn1cc(C2CCN(CC2O)C2Cc3cccc4cccc2c34)c2cccnc12
C(C1CCCCC1)N1CCC(CC1)c1c[nH]c2ncccc12
CCCCCCN1CCC(CC1)c1c[nH]c2ncccc12
Fc1ccc2c(c[nH]c2c1)C1=CCN(CC1)C1Cc2cccc3cccc1c23 |t:12|
Clc1ccc2[nH]cc(C3CCN(Cc4ccccc4)CC3)c2c1
Clc1ccc2[nH]cc(C3=CCN(Cc4ccccc4)CC3)c2c1 |t:8|
Cc1[nH]c2ccc(Cl)cc2c1C1CCN(CC2CCCCCCC2)CC1
Cc1[nH]c2ccc(Cl)cc2c1C1CCN(CC1)C1Cc2cccc3cccc1c23
N#Cc1ccc2[nH]cc(C3=CCN(CC3)C3Cc4cccc5cccc3c45)c2c1 |t:9|
Cc1[nH]c2ccc(Cl)cc2c1C1CCN(Cc2cccc3ccccc23)CC1
C1C(N2CCC(CC2)c2c[nH]c3ncccc23)c2cccc3cccc1c23
Clc1ccc2c(cn(Cc3ccccc3)c2c1)C1CCN(CC1)C1Cc2cccc3cccc1c23
Cn1cc(C2CCN(CC2)C2Cc3cccc4cccc2c34)c2cccnc12
OCCn1cc(C2CCN(CC2)C2Cc3cccc4cccc2c34)c2cccnc12
FC(F)(F)C(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
CCC(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
CC(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
CCNC(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
CC(=O)NC(Cc1ccccc1)C(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
CC1CN(CCCc2ccccc2)[C@@H]2C[C@H](C[C@]1(C2)c1cccc(O)c1)NC(=O)C1(CCCC1)c1ccccc1
C[C@H]1CN(CCOc2ccccc2)[C@@H]2C[C@H](C[C@]1(C2)c1cccc(O)c1)NC(=O)C(C)(C)c1ccccc1
C[C@@H](C(=O)N[C@@H]1C[C@@H]2C[C@](C1)([C@@H](C)CN2CCCc1ccccc1)c1cccc(O)c1)c1ccccc1
C[C@H]1CN(CCCc2ccccc2)[C@@H]2C[C@H](C[C@]1(C2)c1cccc(O)c1)NC(=O)C1(CCCC1)c1ccsc1
C[C@H]1CN(CCCc2ccccc2)[C@@H]2C[C@H](C[C@]1(C2)c1cccc(O)c1)NC(=O)C(C)(C)c1ccccc1
C[C@H]1CN(CCCc2ccccc2)[C@@H]2C[C@H](C[C@]1(C2)c1cccc(O)c1)NC(=O)C1(CCCC1)c1cccc2ccccc12
C[C@H]1CN(CCCc2ccccc2)[C@@H]2C[C@H](C[C@]1(C2)c1cccc(O)c1)NC(=O)C1(CCCC1)c1ccc2ccccc2c1
C[C@H]1CN(CCCc2ccccc2)[C@@H]2C[C@H](C[C@]1(C2)c1cccc(O)c1)NC(=O)C1(CCCC1)c1cccs1
CCC(CC)(C(=O)N[C@@H]1C[C@@H]2C[C@](C1)([C@@H](C)CN2CCCc1ccccc1)c1cccc(O)c1)c1ccccc1
C[C@H]1CN(C)[C@@H]2C[C@H](C[C@]1(C2)c1cccc(O)c1)NC(=O)C1(CCCC1)c1ccccc1
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCNC(=O)CCCNC(=O)[C@H](Cc1ccc(O)cc1)N(CC=C)CC=C)C(O)=O
C[C@H]1CN(CCCc2ccccc2)[C@@H]2C[C@H](C[C@]1(C2)c1cccc(O)c1)NC(=O)C1(CCCCC1)c1ccccc1
C[C@H]1CN(CCCc2ccccc2)[C@@H]2C[C@H](C[C@]1(C2)c1cccc(O)c1)NC(=O)C1(CCC1)c1ccccc1
C[C@H]1CN(C\C=C\c2ccccc2C)[C@@H]2C[C@H](C[C@]1(C2)c1cccc(O)c1)NC(=O)C(C)(C)c1ccccc1
C[C@H]1CN(C\C=C\c2ccccc2)[C@@H]2C[C@H](C[C@]1(C2)c1cccc(O)c1)NC(=O)C(C)(C)c1ccccc1
COc1ccc(cc1)C1(CCCC1)C(=O)N[C@@H]1C[C@@H]2C[C@](C1)([C@@H](C)CN2CCCc1ccccc1)c1cccc(O)c1
C[C@H]1CN(CCCc2ccccc2)[C@@H]2C[C@H](C[C@]1(C2)c1cccc(O)c1)NC(=O)C1(CCCC1)c1ccc(F)cc1
C[C@H]1CN(CCCc2ccccc2)[C@@H]2C[C@H](C[C@]1(C2)c1cccc(O)c1)NC(=O)C1(CCCCCC1)c1ccccc1
C[C@H]1CN(C\C=C\c2ccccc2C)[C@@H]2C[C@H](C[C@]1(C2)c1cccc(O)c1)NC(=O)C1(CCCC1)c1ccccc1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(O)=O
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CS(C)(=O)=O)c2=O)C(C)C)c1 |w:9.8|
CNC(=O)Cn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:19.20|
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CS(C)=O)c2=O)C(C)C)c1 |w:9.8|
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CC(N)=O)c2=O)C(C)C)c1 |w:9.8|
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CSC)c2=O)C(C)C)c1 |w:9.8|
COC(=O)Cn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:19.20|
COC(=O)CCn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:20.21|
CNC(=O)CN1CN(c2ccccc2)C2(CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)C1=O |w:20.20|
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CCSC)c2=O)C(C)C)c1 |w:9.8|
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3[nH]c2=O)C(C)C)c1 |w:9.8|
COCCn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:18.19|
COCn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:17.18|
CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1cc2ccccc2[nH]1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
CCCC[C@H](NC(=O)[C@@H](Cc1cc2ccccc2[nH]1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
CCCC[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
CCCC[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](Cc1cc2ccccc2[nH]1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
CCCC[C@@H](NC(=O)[C@H](Cc1cc2ccccc2[nH]1)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
CCCC[C@H](NC(=O)[C@H](N)Cc1cc2ccccc2[nH]1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
CCCC[C@@H](NC(=O)[C@@H](N)Cc1cc2ccccc2[nH]1)C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1cccc2ccccc12)C(N)=O
Cc1cc(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccc3ccccc3c2)C(N)=O)cc(C)c1O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cccc2ccccc12)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O
Cc1cc(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2cccc3ccccc23)C(N)=O)cc(C)c1O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2CC1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCC(=O)N(C1CCN(CC1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1
CCC(=O)N(C1CCN(CC1)C(=O)[C@@H](N)Cc1cscn1)c1ccccc1
CCC(=O)N(C1CCN(CC1)C(=O)[C@@H](N)C1Cc2ccccc2C1)c1ccccc1
CCC(=O)N(C1CCN(CC1)C(=O)[C@@H](N)Cc1ccc2ccccc2c1)c1ccccc1
CCC(=O)N(C1CCN(CC1)C(=O)[C@@H](N)Cc1csc2ccccc12)c1ccccc1
CCC(=O)N(C1CCN(CC1)C(=O)CC(N)c1ccc(Cl)cc1)c1ccccc1 |w:14.15|
CCC(=O)N(C1CCN(CC1)C(=O)[C@@H](N)C(c1ccccc1)c1ccccc1)c1ccccc1
CCC(=O)N(C1CCN(CC1)C(=O)CC(N)c1ccc(OC)cc1)c1ccccc1 |w:14.15|
CCC(=O)N(C1CCN(CC1)C(=O)[C@@H](N)[C@H](C)c1c(C)cc(O)cc1C)c1ccccc1
CCC(=O)N(C1CCN(CC1)C(=O)CC(N)c1ccc(C)cc1)c1ccccc1 |w:14.15|
CCC(=O)N(C1CCN(CC1)C(=O)[C@@H](N)[C@@H](C)c1c(C)cc(O)cc1C)c1ccccc1
CCC(=O)N(C1CCN(CC1)C(=O)CCc1cccc(Br)c1)c1ccccc1
CCC(=O)N(C1CCN(CC1)C(=O)[C@@H](N)Cc1ccccc1)c1ccccc1
CCC(=O)N(C1CCN(CC1)C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1
CCC(=O)N(C1CCN(CC1)C(=O)CCc1ccc(OC)c(Cl)c1)c1ccccc1
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1cc[n+]([O-])cc1)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc2nc(N)sc2c1)C(O)=O
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(cc1)C(N)=O)C(N)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(cc1C)C(N)=O)C(O)=O
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc2nc(N)sc2c1)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cccc(c1)C(N)=O)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc2nc(N)sc2c1)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc2nc(N)sc2c1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cccc(c1)C(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(cc1)C(N)=O)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cc[n+]([O-])cc1)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(cc1)C(O)=O)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(N)cc1)C(O)=O
CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(cc2)C(N)=O)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c(C)cc(cc1C)C(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c(C)cc(cc1C)C(N)=O)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1cccc(c1)C(N)=O)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cc[n+]([O-])cc1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
CCCCCC(N1CCC(O)(CC1)c1ccccc1CN)c1ccccc1 |w:5.4|
CCCCC(N1CCC(O)(CC1)c1ccccc1CN)c1ccccc1 |w:4.3|
OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)C1CC1
CCCCC1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
CC(C)C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1Cl |w:15.16|
Cc1ccccc1C(N1CCC(O)(CC1)c1ccccc1CN)c1ccccc1C
NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1Br |w:15.16|
CC(C)(C)C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
Cc1ccccc1C(N1CCC(O)(CC1)c1ccccc1CN)c1ccccc1 |w:7.8|
COc1cccc(c1)C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
COc1ccc(cc1)C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
OCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccccn1
OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccc(cc1)C#N
Cc1ccsc1C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
OC1(CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1CN1CCNCC1
CCS(=O)(=O)N1CCN(Cc2ccccc2C2(O)CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)CC1
CN1CCN(Cc2ccccc2C2(O)CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)CC1
OC1(CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1CN1CCOCC1
COc1ccccc1C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
CCc1ccc(cc1)C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
CC(C)S(=O)(=O)N1CCN(Cc2ccccc2C2(O)CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)CC1
Cc1ccc(cc1)C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1cccs1
CCCc1ccc(cc1)C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
NCc1ccccc1C1(O)CCN(CC1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Cc1ccc(cc1)C(N1CCC(O)(CC1)c1ccccc1CN)c1ccc(C)cc1
NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl
OC1(CCCc2ccccc2)CCN(CC1)C(c1ccccc1)c1ccccc1
OC1(Cc2ccccc2)CCN(CC1)C(c1ccccc1)c1ccccc1
OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccco1
CCCCCCC1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)C1CCCCC1
CNCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl
Cc1ccccc1C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
CCNC(=O)NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl
CC1(C)CCC(N2CCC(O)(CC2)c2ccccc2CN)c2ccccc12 |w:5.5|
OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccc(Br)cc1
CNC(=O)NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl
CCCS(=O)(=O)NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl
Cc1cccc(c1)C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
NCc1ccccc1C1(O)CCN(CC1)C(c1cccc(F)c1)c1cccc(F)c1
OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1cccc(F)c1
NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1F)c1ccccc1F
OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccccc1F
NCc1ccccc1C1(O)CCN(CC2CCCCCC2)CC1
CC(C)S(=O)(=O)NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl
OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1
NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1Br)c1ccccc1Br
OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccc(F)cc1
NC(=O)Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1 |TLB:19:18:7.23.8:10|
NC(=O)Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |TLB:19:18:7.24.8:10|
CNC(=O)Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1 |TLB:20:19:8.24.9:11|
CNC(=O)Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |TLB:20:19:8.25.9:11|
Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |THB:18:17:6.5.7:9|
Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CCC3)cc2s1 |THB:18:17:6.5.7:9|
O=c1[nH]c2cc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3cc2o1 |TLB:17:16:5.22.6:8|
Nc1nc2C[C@]34CCN(CC5CC5)[C@H](Cc5ccc(O)cc35)[C@@H]4Cc2s1 |THB:9:8:15.21.14:22|
Nc1nc2C[C@]34CCN(CC5CCC5)[C@H](Cc5ccc(O)cc35)[C@@H]4Cc2s1 |THB:9:8:16.22.15:23|
CN1CC[C@]23Cc4[nH]c5ccccc5c4C[C@H]2[C@H]1Cc1ccc(O)cc31 |TLB:0:1:19.25.18:16|
Oc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CC3)c2c1)[nH]c1ccccc51 |TLB:16:15:4.20.5:7|
Oc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CCC3)c2c1)[nH]c1ccccc51 |TLB:16:15:4.21.5:7|
CN1CC[C@]23Cc4nc(N)sc4C[C@H]2[C@H]1Cc1ccc(O)cc31 |TLB:0:1:16.22.15:13|
COc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3C)c2c1)[nH]c1ccccc51 |TLB:17:16:5.18.6:8|
COc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CC3)c2c1)[nH]c1ccccc51 |TLB:17:16:5.21.6:8|
COc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CCC3)c2c1)[nH]c1ccccc51 |TLB:17:16:5.22.6:8|
CCOC(=O)N1CCC(CC1)(c1nccn1Cc1ccc(cc1)C(=O)OC)c1ccccc1
CC(C)(C)C(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
COCC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
O=C(OCc1ccccc1)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
O=C(Cc1ccccc1)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
CCOC(=O)N1CCC(CC1)(c1nccn1C(C)c1ccccc1)c1ccccc1 |w:16.18|
CCOC(=O)N1CCC(CC1)(c1nccn1-c1ccc2ccccc2c1C)c1ccccc1
CCOC(=O)N1CCC(CC1)(c1nccn1Cc1cccc(OC)c1)c1ccccc1
O=C(OC1CCCCC1)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
O=C(N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1)c1ccccc1
Cc1cc(C)cc(c1)C(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Cc1cc(C)c(C(=O)N2CCC(CC2)(c2nccn2Cc2ccccc2)c2ccccc2)c(C)c1
COC(=O)c1cccc(Cn2ccnc2C2(CCN(CC2)C(=O)c2ccccc2)c2ccccc2)c1
FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
COCC(=O)N1CCC(CC1)(c1nccn1C(C)c1ccccc1)c1ccccc1 |w:16.18|
CCOC(=O)N1CCC(CC1)(c1nccn1Cc1ccc(OC)cc1)c1ccccc1
COC(=O)c1ccc(Cn2ccnc2C2(CCN(CC2)C(=O)c2ccccc2)c2ccccc2)cc1
CCCCOC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
CC(c1ccccc1)n1ccnc1C1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1 |w:1.0|
CC(C)OC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
CCOC(=O)N1CCC(CC1)(c1nccn1Cc1cccc(F)c1)c1ccccc1
CCOC(=O)N1CCC(CC1)(c1nccn1CC1CCCCC1)c1ccccc1
CCOC(=O)N1CCC(CC1)(c1nccn1C\C=C\c1ccccc1)c1ccccc1
CCOC(=O)N1CCC(CC1)(c1nccn1Cc1ccc(F)cc1)c1ccccc1
COC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
CCOC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
CC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
CCOC(=O)N1CCC(CC1)(c1nccn1Cc1ccc(O)cc1)c1ccccc1
CCC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
CCOC(=O)N1CCC(CC1)(c1nccn1Cc1ccccn1)c1ccccc1
CCCOC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
CC(C)C(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
O=C(C1CC1)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
COCC(=O)N1CCC(CC1)(c1nccn1Cc1ccc(cc1)C(=O)OC)c1ccccc1
CC(C)(C)OC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
CCN(CC)C(=O)c1ccc(Cn2ccnc2C2(CCN(CC2)C(=O)c2ccccc2)c2ccccc2)cc1
CCCCn1nc(-c2ccccc2)c(C=C)c(N)c1=O
FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
CO[C@]12CC(O)[C@@]3(C[C@@H]1[C@@H](C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |w:4.4,TLB:9:8:22.21:3.4,TEB:5:4:22.21:7.8|
CO[C@]12CC(O)[C@@]3(C[C@@H]1[C@H](C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |w:4.4,TLB:9:8:22.21:3.4,TEB:5:4:22.21:7.8|
CO[C@]12[C@@H]3Oc4c5c(C[C@H]6N(C)CC[C@@]35[C@]6(CC1O)C[C@@H]2[C@@H](C)O)ccc4O |w:17.21,TEB:18:17:14.3:19.20|
CO[C@]12[C@@H]3Oc4c5c(C[C@H]6N(C)CC[C@@]35[C@]6(CC1O)C[C@@H]2[C@H](C)O)ccc4O |w:17.21,TEB:18:17:14.3:19.20|
O[C@@H]1[C@@H]2CCC[C@]1(CCN2CCc1ccccc1)c1cccc(O)c1 |TLB:10:9:5.4.3:1|
Oc1cccc(c1)[C@@]12CCC[C@@H](N(CCc3ccccc3)CC1)C2=O |TLB:24:23:8.9.10:12.21.22|
O[C@@H]1[C@H]2CCC[C@@]1(CCN2CCc1ccccc1)c1cccc(O)c1 |TLB:10:9:5.4.3:1|
O[C@H]1[C@H]2CCC[C@@]1(CCN2CCc1ccccc1)c1cccc(O)c1 |TLB:10:9:5.4.3:1|
Oc1cccc(c1)[C@@]12CCC[C@H](N(CCc3ccccc3)CC1)C2=C |TLB:24:23:8.9.10:12.21.22|
O[C@H]1[C@@H]2CCC[C@]1(CCN2CCc1ccccc1)c1cccc(O)c1 |TLB:10:9:5.4.3:1|
C[C@@H]1[C@@H]2CCC[C@]1(CCN2CCc1ccccc1)c1cccc(O)c1 |TLB:10:9:5.4.3:1|
Oc1cccc(c1)[C@]12CCC[C@@H](N(CCc3ccccc3)CC1)C2=C |TLB:24:23:8.9.10:12.21.22|
C[C@H]1[C@H]2CCC[C@@]1(CCN2CCc1ccccc1)c1cccc(O)c1 |TLB:10:9:5.4.3:1|
[H][C@@]12CCC[C@@](CCN1CCc1ccccc1)(C2=O)c1cccc(O)c1 |THB:9:8:4.3.2:17|
NC(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1
NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1
CC(C)NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1
O=C(N1CCCCC1)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1
NC(=O)c1ccc(Oc2ccc(CCNCCc3ccccc3)cc2)nc1
CNC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1
NC(=O)c1ccc(Oc2ccc(CCNCCCc3ccccc3)cc2)nc1
CCNC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1
NC(=N)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1
CN=C(N)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1 |w:1.0|
OC(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1
NS(=O)(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1
NC(=O)c1ccc(Oc2ccc(CCCNc3ccccc3)cc2)nc1
NC(=O)c1ccc(Oc2ccc(NCCCc3ccccc3)cc2)nc1
NCc1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1
NC(=O)c1ccc(Oc2ccc(CCCNCc3ccccc3)cc2)nc1
NC(=O)c1cccnc1Oc1ccc(CCNCc2ccccc2)cc1
NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)cn1
N#Cc1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1
NC(=O)c1cccc(Oc2ccc(CCNCc3ccccc3)cc2)n1
NC(=O)c1ccc(Oc2ccc(CNCc3ccccc3)cc2)nc1
NC(=O)c1ccnc(Oc2ccc(CCNCc3ccccc3)cc2)c1
NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)cc1
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccc(Br)cc12)ccc5O
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccc(Cl)cc12)ccc5O
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccc(F)cc12)ccc5O
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccc(I)cc12)ccc5O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1[nH]c(=O)cnc1C
Cc1cccc(C)c1Cc1[nH]c(=O)c(CCCCNC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1nc(C)c(C)[nH]c1=O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1[nH]c(=O)c(C)nc1C
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCc1nc(C)c(C)[nH]c1=O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCc1nc(C)c(C)[nH]c1=O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1nc(C)c(C)[nH]c1=O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCc1nc(C)c(Cc2ccccc2)[nH]c1=O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1nc(C)c(Cc2ccccc2)[nH]c1=O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCc1nc(C)c(CCc2ccccc2)[nH]c1=O
Cc1c[nH]c(=O)c(CCCCNC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)n1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1nc(C)c(CCc2ccccc2)[nH]c1=O
Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(O)=O)n1cccc1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1nnn[nH]1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:30:31:35:29.28.34,THB:30:29:35:31.36.32|
CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:39:38:41:34.33.35,39:34:41:38.40.37|
COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:30:31:35:29.28.34,THB:30:29:35:31.36.32|
CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:32:33:37:31.30.36,THB:32:31:37:33.38.34|
CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC(C)(C)C
Cc1cc(O)cc(C)c1C[C@H](N1CCCCC1)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O
C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NC(C)(C)C
Cc1cc(O)cc(C)c1CC(CN)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC(C)(C)C
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NN
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CC(O)=O
CNC(=O)[C@H](C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:32:33:37:31.30.36,THB:32:31:37:33.38.34|
COC(=O)[C@H](C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](Cc1c(C)cc(O)cc1C)N(C)C
Cc1cc(O)cc(C)c1C[C@H](N1CCCC1)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O
CN(CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
CN(CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O)C(=O)[C@@H](N)Cc1ccc(O)cc1
COC(=O)[C@@H]1C[C@H](OC(=O)c2cccs2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
COC(=O)[C@@H]1C[C@H](OC(=O)c2ccc(Br)cc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
COC(=O)[C@@H]1C[C@H](OC(=O)c2cccc(Br)c2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2Br)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
COC(=O)[C@@H]1C[C@H](OC(=O)CNC(=O)OC(C)(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
COC(=O)[C@@H]1C[C@H](OC(=O)CCc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
CCCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |r|
CCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |r|
CCCCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |r|
COC(=O)[C@@H]1C[C@H](OC(=O)Cc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
COC(=O)[C@@H]1C[C@H](OS(=O)(=O)c2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
COC(=O)[C@@H]1C[C@H](OS(=O)(=O)c2ccc(C)cc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
N#CC1(CCN(CCCCc2ccccc2)CC1)c1ccccc1
N#CC1(CCN(Cc2ccccc2)CC1)c1ccccc1
C=CCN1CCC(CC1)(C#N)c1ccccc1
CN1CCC(CC1)(C#N)c1ccccc1
CC(=C)CN1CCC(CC1)(C#N)c1ccccc1
C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCCNC1=O)NC(=O)[C@@H](N)Cc1ccccc1
N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCCCNC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O
N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCCCNC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O
C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCCNC1=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCCNC1=O)NC(=O)[C@H](N)Cc1ccccc1
C[C@@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
CC(C)(C)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1
C[C@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
O[C@H]1CN(C[C@H]2C[C@H](O)c3ncccc3C2)CC[C@@H]1c1ccc(F)cc1Cl |r|
O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)COc3ccccc3)cc12 |r|
O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)c3ccc(cc3)-c3ccccc3)cc12 |r,TLB:10:9:17.37.16:1|
NC(=O)COc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r,TLB:12:11:8.26.9:24|
O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OCCc3ccccc3)cc12 |r|
OCCCOc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r,TLB:12:11:8.26.9:24|
O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(Oc3ccc(cc3)[N+]([O-])=O)cc12 |r|
COc1ccc(CC(=O)Oc2ccc3C[C@H]4N(CC5CCC5)CC[C@@]5(CCCC[C@@]45O)c3c2)cc1 |r|
Nc1ccc(Oc2ccc3C[C@H]4N(CC5CCC5)CC[C@@]5(CCCC[C@@]45O)c3c2)cc1 |r|
O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OCc3ccccc3)cc12 |r|
CC(C(=O)Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1)c1ccc(C)cc1 |r|
O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)Cc3ccc(cc3)-c3ccccc3)cc12 |r,TLB:10:9:17.38.16:1|
Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r,TLB:8:7:4.22.5:20|
O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)Cc3ccccc3)cc12 |r|
C[C@H]1[C@H]2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)N(C)CCc1ccc(cc1)-c1ccccc1 |r,TLB:15:14:1:4.9.3|
C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O |r|
Oc1ccc(COC(=O)N2CSC(=S)N(Cc3ccccc3)C2)cc1
S=C1SCN(Cc2ccccc2)CN1Cc1ccccc1
CC(C)(C)c1ccc(cc1)C(N1CCN(Cc2ccccc2)C[C@@H]1Cc1ccccc1)c1cccc(O)c1
CC(C)(C)c1ccc(cc1)C(N1CCN(Cc2ccccc2)C[C@@H]1COCc1ccccc1)c1cccc(O)c1
CC(C)(C)c1ccc(cc1)C(C1CCN(Cc2ccccc2)CC1)c1cccc(O)c1
CC(C)(C)c1ccc(cc1)C(N1CCN(Cc2ccccc2)C[C@@H]1CO)c1cccc(O)c1
CC(C)(C)c1ccc(cc1)C(N1CCC(Cc2ccccc2)CC1)c1cccc(O)c1
C[C@H]1CN(Cc2ccccc2)CCN1C(c1ccc(cc1)C(C)(C)C)c1cccc(O)c1
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1 |r|
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
CN1C[C@@H]2Oc3ccc(O)cc3[C@@]22CCC[C@@H]1C2 |r|
Oc1ccc2O[C@H]3CN(CCc4ccccc4)[C@@H]4CCC[C@]3(C4)c2c1 |r|
Oc1cccc2c1O[C@@H]1CC[C@H]3C[C@@]21CCN3CCc1ccccc1 |r|
Oc1ccc2O[C@@H]3CC[C@H]4C[C@@]3(CCN4CCc3ccccc3)c2c1 |r|
CN1CC[C@@]23C[C@@H]1CC[C@H]2Oc1c3cccc1O |r|
CN1CC[C@@]23C[C@@H]1CC[C@H]2Oc1ccc(O)cc31 |r|
Oc1cccc2c1O[C@H]1CN(CCc3ccccc3)[C@@H]3CCC[C@]21C3 |r|
CN1C[C@@H]2Oc3c(cccc3O)[C@@]22CCC[C@@H]1C2 |r|
C[C@H]1C2Cc3cc4[nH]nnc4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:11:12:1:17.16.15,18:17:1:4.12.3|
C[C@H]1C2Cc3ccc4nc(C)[nH]c4c3[C@@]1(C)CCN2CC1CC1 |r,TLB:12:13:1:18.17.16,19:18:1:4.13.3|
C[C@H]1C2Cc3ccc4nc[nH]c4c3[C@@]1(C)CCN2CC1CC1 |r,TLB:11:12:1:17.16.15,18:17:1:4.12.3|
C[C@H]1C2Cc3ccc4nn[nH]c4c3[C@@]1(C)CCN2CC1CC1 |r,TLB:11:12:1:17.16.15,18:17:1:4.12.3|
C[C@H]1C2Cc3cc4[nH]c(=O)[nH]c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:12:13:1:18.17.16,19:18:1:4.13.3|
C[C@H]1C2Cc3cc4[nH]c(C)nc4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:12:13:1:18.17.16,19:18:1:4.13.3|
C[C@H]1C2Cc3cc4[nH]cnc4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:11:12:1:17.16.15,18:17:1:4.12.3|
C[C@@H](O)[C@H](NC(=O)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@H]1Cc2ccccc2CN1)[C@@H](C)O)C(N)=O
C[C@@H](O)[C@H](NC(=O)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@@H](N)[C@@H](C)c1ccccc1)[C@@H](C)O)C(N)=O
C[C@@H](O)[C@H](NC(=O)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)C1=CSCC=N1)[C@@H](C)O)C(N)=O |c:70,t:66|
C[C@@H](O)[C@H](NC(=O)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@@H](N)[C@H](C)c1c[nH]c2ccccc12)[C@@H](C)O)C(N)=O
C[C@@H](O)[C@H](NC(=O)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@H](N)[C@H](C)c1c[nH]c2ccccc12)[C@@H](C)O)C(N)=O
C[C@@H](O)[C@H](NC(=O)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(N)=O
C[C@@H](O)[C@H](NC(=O)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)C(N)[C@@H](C)c1ccccc1)[C@@H](C)O)C(N)=O
C[C@@H](O)[C@H](NC(=O)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@H](N)[C@@H](C)c1c[nH]c2ccccc12)[C@@H](C)O)C(N)=O
C[C@@H](O)[C@H](NC(=O)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@@H](N)[C@@H](C)c1c[nH]c2ccccc12)[C@@H](C)O)C(N)=O
C[C@@H](O)[C@H](NC(=O)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@@H](N)[C@H](C)c1ccccc1)[C@@H](C)O)C(N)=O
C[C@@H](O)[C@H](NC(=O)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)C(N)[C@H](C)c1ccccc1)[C@@H](C)O)C(N)=O
COCCNC1C(CCc2ccccc12)c1ccsc1
COCCN(C1C(CCc2cc(OC)c(OC)cc12)N(C)C)C(=O)Cc1ccccc1Br
COCCN(C1C(CCc2cc(OC)c(OC)cc12)N(C)C)C(=O)c1ccc(Cl)c(Cl)c1
COCCN(C1C(CCc2ccccc12)c1ccsc1)C(=O)c1cc(C)nn1C
COCCN[C@H]1[C@@H](CCc2ccccc12)c1ccsc1 |r|
COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1 |c:7|
COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)c1ccco1 |c:7|
COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)COCc1ccccc1 |c:7|
COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)Cc1ccc(Cl)cc1 |c:7|
COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)Cc1cccc(OC)c1 |c:7|
COCCN([C@H]1[C@@H](C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)c1sccc1Cl |r,c:7|
COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)c1sccc1Cl |c:7|
COCCN(C1C(CCc2cc(OC)c(OC)cc12)N(C)C)C(=O)Cc1ccc(Cl)cc1
COCCN(C1C(CCc2cc(OC)c(OC)cc12)N(C)C)C(=O)COc1ccc(Cl)cc1
COc1ccc(cc1Cl)C(=O)NC1(CCN(CC1)c1cc(N)ccn1)c1ccccc1
Nc1ccnc(c1)N1CCC(CC1)(C(=O)N1CCc2ccccc2C1)c1ccccc1
Nc1ccnc(c1)N1CCC(CC1)n1c2ncccc2n(-c2ccccc2)c1=O
Nc1ccnc(c1)N1CCC(CC1)(NC(=O)c1ccccn1)c1ccccc1
COc1ccc(CNC(=O)C2(CCN(CC2)c2cc(N)ccn2)c2ccccc2)cc1
Nc1ccnc(c1)N1CCC(CC1)N(C(=O)C1CC1)c1ccccn1
COc1ccc(cc1)-n1c2cccnc2n(C2CCN(CC2)c2cc(N)ccn2)c1=O
COc1ccc(C(=O)NC2(CCN(CC2)c2cc(N)ccn2)c2ccccc2)c(OC)c1
COc1cccc(c1)C1(C)CN(C1)c1cc(N)ccn1
CC(=O)N(C1CCN(CC1)c1cc(N)ccn1)c1ccccc1
COc1ccc(cc1)C(=O)N(C1CCN(CC1)c1cc(N)ccn1)c1cc(C)ccn1
Nc1ccnc(c1)N1CCC2(CC1)OCc1ccccc21
CN(C)C(=O)[C@H]1CC2(CCN(CC2)c2cc(N)ccn2)c2ccccc12 |r|
Nc1ccnc(c1)N1CCC(CC1)(NC(=O)[C@@H]1CCCO1)c1ccccc1 |r|
Nc1ccnc(c1)N1CCC(CC1)(C(=O)Nc1ccc2ccccc2n1)c1ccccc1
Nc1ccnc(c1)N1CCC(CC1)N(C(=O)C1CCCCC1)c1ccccn1
CCN(CC)C(=O)[C@H]1OC2(CCN(CC2)c2cc(N)ccn2)c2ccccc12 |r|
COc1cccc(c1)C(=O)N(C1CCN(CC1)c1cc(N)ccn1)c1ccccn1
Nc1ccnc(c1)N1CCC2(CC1)OC(c1ccccc21)c1ccccc1
CCOC(=O)N1CCN(CC1)C(=O)C1(CCN(CC1)c1cc(N)ccn1)c1ccccc1
Nc1ccnc(c1)N1CCC(CC1)n1c2ncccc2n(Cc2ccccc2)c1=O
Nc1ccnc(c1)N1CCC(CC1)n1c2ncccc2n(CC2CC2)c1=O
CC(=O)C1(CCN(CC1)c1cc(N)ccn1)c1ccccc1
[H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(F)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
OCC(CO)n1c2ccccc2n(C2CCN(C[C@H]3[C@H]4CC[C@H](C4)C33CC3)CC2)c1=O |r|
OC[C@H](O)Cn1c2ccccc2n(C2CCN(C[C@H]3[C@H]4CC[C@H](C4)C33CC3)CC2)c1=O |r|
OC[C@@H](O)Cn1c2ccccc2n(C2CCN(C[C@H]3[C@H]4CC[C@H](C4)C33CC3)CC2)c1=O |r|
[H][C@]12CC[C@]([H])(C[C@@H](C1)c1ccccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:15:2.3|
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@]1(N)CCc2cc(O)ccc2C1)[C@@H](C)CC)C(=O)NCC(N)=O
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@]1(N)CCc2cc(O)ccc2C1)[C@@H](C)CC)C(=O)NCC(N)=O
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(N)=O
Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(CCC#N)c1-c1cc(F)cc(F)c1 |r|
CCN(CC)C(=O)c1ccc(cc1O)C1=CC2(CCNCC2)Oc2ccccc12 |t:15|
CCN(CC)C(=O)c1ccc(cc1C)C1=CC2(CCNCC2)Oc2ccccc12 |t:15|
CC(C)CNC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:14|
CN(Cc1ccccc1)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:19|
CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCCNC2)Oc2ccccc12 |t:14|
O=C(N1CCCCC1)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:16|
NC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:10|
CCN(CC)C(=O)c1ccc(cc1)[C@@H]1CC2(CCNCC2)Oc2ccccc12 |r|
CC(C)N(C(C)C)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:16|
CN(C)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:12|
CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc23)c(O)c1 |t:11|
CCN(CC)C(=O)c1ccc(cn1)C1=CC2(CCNCC2)Oc2ccccc12 |t:14|
O=C(N1Cc2ccccc2C1)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:20|
O=C(N1CCCC1)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:15|
O=C(N1CCOCC1)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:16|
CCN(CC)C(=O)c1ccc(cc1F)C1=CC2(CCNCC2)Oc2ccccc12 |t:15|
CNC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:11|
CCNC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:12|
CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:14|
CCN(CC)C(=O)c1cc(cs1)C1=CC2(CCNCC2)Oc2ccccc12 |t:13|
CCN1CCc2cc(ccc2C1=O)C1=CC2(CCNCC2)Oc2ccccc12 |t:15|
CCN(CC)C(=O)c1ccc(s1)C1=CC2(CCNCC2)Oc2ccccc12 |t:13|
CCN(CC)C(=O)c1ncc(cn1)C1=CC2(CCNCC2)Oc2ccccc12 |t:14|
CCN(CC)C(=O)c1ccc(o1)C1=CC2(CCNCC2)Oc2ccccc12 |t:13|
CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc23)c(C)c1 |t:11|
CCN(CC)C(=O)c1ccc(nc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:14|
CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCNC2)Oc2ccccc12 |t:14|
CCN(CC)C(=O)c1ccc(cc1)[C@H]1CC2(CCNCC2)Oc2ccccc12 |r|
CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCCNCC2)Oc2ccccc12 |t:14|
CCN(CC)C(=O)c1ccc(cc1)C1CC2(CCNCC2)Oc2ccccc12
CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc23)c(F)c1 |t:11|
CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCOCC2)Oc2ccccc12 |t:14|
Cc1ccc(cc1)S(=O)(=O)O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
CS(=O)(=O)O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OC(=O)N(c1ccccc1)c1ccccc1 |r|
CN(C)C(=O)O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
FCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(c1)C(=O)NC
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(NC(=O)OC)c1
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(NC(C)=O)c1
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(c1)C(C)=O
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(c1)C(N)=O
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(O)c1
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(CN)c1
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(C=O)c1
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(N)c1
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(CO)c1
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(CNC)c1
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(NS(C)(=O)=O)c1
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(CN(C)C)c1
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(c1)C(=O)OC
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(c1)C(C)O
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1ccc(cc1)C(N)=O
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(c1)C(=O)N(C)C
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1ccccc1C(N)=O
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(c1)C(O)=O
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1 |r|
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC\C=C\c1ccc(Cl)cc1
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C#Cc1ccccc1 |r|
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C#Cc1ccc(Cl)cc1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C#Cc1ccc(Cl)cc1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C#Cc1ccccc1 |r|
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCC#Cc1ccc(Cl)cc1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC\C=C\c1ccc(Cl)cc1
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCC#Cc1ccc(Cl)cc1 |r|
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1 |r|
CC(=O)N(CCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O)C(C)=O |r|
CC(=O)N(CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O)C(C)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCCN(C(=O)CBr)C(=O)CBr)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCCN(N=C=S)N=C=S)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCN(C(=O)CBr)C(=O)CBr)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCN(N=C=S)N=C=S)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O |r|
CC[C@@]12CCN(C[C@H](O)c3ccccc3)C[C@@H]1Oc1ccc(O)cc21 |r|
CC[C@@]12CCN(C)C[C@@H]1Oc1ccc(O)cc21
CC[C@]12CCN(C[C@@H](O)c3ccccc3)C[C@H]1Oc1ccc(O)cc21 |r|
CC[C@]12CCN(CCc3ccccc3)C[C@H]1Oc1ccc(O)cc21 |r|
CC[C@]12CCN(C)C[C@H]1Oc1ccc(O)cc21 |r|
CC[C@@]12CCN(CCc3ccccc3)C[C@@H]1Oc1ccc(O)cc21
CC[C@]12CCN(C[C@H](O)c3ccccc3)C[C@H]1Oc1ccc(O)cc21 |r|
CC[C@@]12CCN(C[C@@H](O)c3ccccc3)C[C@@H]1Oc1ccc(O)cc21 |r|
CC(CCCCCCC(C)C(=O)Oc1ccc2CC3[C@@H]4CCC[C@@H]5Oc1c2[C@]45CCN3CC=C)C(=O)Oc1ccc2CC3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,TLB:58:57:43:49.50.51,THB:25:26:19:28.29.30,15:16:19:28.29.30|
CC(CCCCCCC(C)C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
CC(C)(CCCCCCC(C)(C)C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)C(=O)OCc1ccccc1 |r|
CC(C)(CCCCCCC(C)(C)C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)C(O)=O |r|
OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
COC(=O)C(C)CCCCCCC(C)C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
C=CCN1CC[C@]23[C@@H]4CCC[C@H]2[C@H]1Cc1ccc(OC(=O)CCCCCCCCC(=O)Oc2ccc5CC6[C@@H]7CCCC[C@]7(CCN6CC6CCC6)c5c2)c(O4)c31 |r,THB:34:35:38:44.45.46,53:52:38:44.45.46|
CC(CCCCC(C)C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
CC(C)(CCCCCCC(C)(C)C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
CC(CCCCCCC(C)C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)C(O)=O |r|
CO[C@]12C=C[C@@]3(C[C@@H]1[C@@](C)(O)CCc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |r,wU:19.36,8.10,wD:5.4,7.8,8.11,2.1,28.29,29.38,c:3,(.49,-5.98,;1.05,-4.54,;.09,-3.34,;-.99,-2.33,;-.42,-1.28,;-1.5,-.69,;.04,-.66,;.84,-1.99,;2.38,-1.96,;1.59,-.62,;3.17,-3.28,;3.12,-.61,;4.66,-.59,;5.41,.76,;6.94,.78,;7.69,2.12,;6.9,3.44,;5.35,3.41,;4.61,2.07,;-2.31,.63,;-3.86,.59,;-4.59,-.77,;-6.12,-.8,;-6.86,-2.16,;-6.06,-3.47,;-6.8,-4.82,;-4.52,-3.44,;-2.66,-4.42,;-1.46,-3.37,;-2.25,-2.05,;-3.44,-.93,;-3.43,1.87,;-2.03,1.87,;-.83,2.83,;-3.78,-2.08,)|
CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)nc1
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccc(C)cc2)CC1)c1cccc(O)c1
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccccn2)CC1)c1cccc(O)c1
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ncc[nH]2)CC1)c1cccc(O)c1
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2cccs2)CC1)c1cccc(OC)c1
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccsc2)CC1)c1cccc(O)c1
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2cccc(F)c2)CC1)c1cccc(O)c1
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccsc2)CC1)c1cccc(OC)c1
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCC2CC2)CC1)c1cccc(O)c1
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2nccn2C)CC1)c1cccc(O)c1
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2cnc[nH]2)CC1)c1cccc(O)c1
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccco2)CC1)c1cccc(O)c1
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ncc[nH]2)CC1)c1cccc(OC)c1
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CC(C)c2ccccc2)CC1)c1cccc(O)c1
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccccc2)CC1)c1cccc(OC)c1
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2cccs2)CC1)c1cccc(O)c1
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(C)CC1)c1cccc(O)c1
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccccc2F)CC1)c1cccc(O)c1
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccncc2)CC1)c1cccc(O)c1
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccccc2)CC1)c1cccc(O)c1
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccoc2)CC1)c1cccc(O)c1
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCC2CCCCC2)CC1)c1cccc(O)c1
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccoc2)CC1)c1cccc(OC)c1
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCC=C)CC1)c1cccc(O)c1
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccco2)CC1)c1cccc(OC)c1
Oc1cc2c(C[C@@H]3[C@@H]4CCCC[C@]24CCN3CC2CCC2)cc1CNCCCCNCc1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r|
CCCNCc1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r,TLB:19:18:7.24.8:10|
Oc1cc2c(C[C@@H]3[C@@H]4CCCC[C@]24CCN3CC2CCC2)cc1CNCCCCCCCCNCc1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r|
Oc1cc2c(C[C@@H]3[C@@H]4CCCC[C@]24CCN3CC2CCC2)cc1CNCCCCCCNCc1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r|
Ic1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r,TLB:22:21:10.27.11:13|
Ic1ccc(NC(=O)Nc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r|
CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(NC(=O)Nc2ccc(I)cc2)cc31 |r|
C(Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1)c1ccccc1 |r|
NCc1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r|
O=C(Nc1ccccc1)Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1 |r|
CCCCCCCCCC(O)c1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r,TLB:25:24:13.30.14:16|
Oc1cc2c(C[C@@H]3[C@@H]4CCCC[C@]24CCN3CC2CCC2)cc1CN=O |r|
CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(NC(=O)Nc2ccccc2)cc31 |r|
C(Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)c1ccccc1 |r,TLB:17:16:5.22.6:8|
Ic1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r|
CCN(CCCCN(CC)Cc1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O)Cc1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r|
OCCCCCCCCCCC(O)c1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r,TLB:27:26:15.32.16:18|
COc1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r|
CCN(CCCCCCN(CC)Cc1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O)Cc1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r,TLB:51:50:39.56.40:42|
Ic1ccc(NC(=O)Nc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r,TLB:24:23:12.29.13:15|
Ic1ccc(CN(Cc2ccc(I)cc2)c2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r,TLB:30:29:18.35.19:21|
OCc1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r,TLB:16:15:4.21.5:7|
Oc1cc2c(C[C@@H]3[C@@H]4CCCC[C@]24CCN3CC2CCC2)cc1CNC(=O)CCCCC(=O)NCc1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r|
COc1ccc(CN(Cc2ccc(OC)cc2)c2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r,TLB:32:31:20.36.21:23|
CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc(CNCc2ccccc2)c(O)cc31 |r|
COc1ccc(Nc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r,TLB:22:21:10.27.11:13|
Ic1ccc(NC(=O)Oc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r|
CCCCC(O)c1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r,TLB:20:19:8.25.9:11|
Ic1ccc(NC(=O)Oc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r,TLB:24:23:12.29.13:15|
C(C1CC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(Nc2ccccc2)cc31 |r|
OC(CCCCC(O)c1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O)c1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r|
CCC(O)c1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r|
OC(CCCCCCCCCCC(O)c1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O)c1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r|
CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(OC(=O)Nc2ccc(I)cc2)cc31 |r|
CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc(CO)c(O)cc31 |r,TLB:0:1:12.20.11:9|
C(C1CCC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(Nc2ccccc2)cc31 |r,TLB:0:5:16.28.15:13|
COc1ccc(Nc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r|
CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc2CN(Cc4ccccc4)COc2cc31 |r,TLB:0:1:12.28.11:9|
CN1CC[C@]23[C@H](CCC[C@H]2C1)Oc1c3cccc1O |r|
[H][C@]12[#6]-c3ccc(-[#8])cc3[C@]([#6])([#6]-[#6]-[#7]1-[#6]\[#6]=[#6](/[#6])-[#6])[#6@@H]2-[#6] |r,TLB:21:20:9.3.2:12.13.14|
COc1cccc2c1O[C@H]1CCC[C@@H]3CN(C)CC[C@]213 |r|
CN1CC[C@]23[C@H](CCC[C@@H]2C1)Oc1c3cccc1O |r|
CCC(=O)N1C2CC[C@H]1[C@@H]1CCC2N1C\C=C\c1cccc(c1)[N+]([O-])=O |TLB:2:4:13:10.11,10:9:4:6.7,11:12:4:6.7,THB:14:13:4.5.8:10.11,14:13:4:6.7,6:5:13:10.11,7:8:13:10.11|
COc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213 |r|
CCC(=O)N1C2CC[C@H]1[C@@H]1CCC2N1C\C=C\c1ccccc1 |TLB:2:4:13:10.11,10:9:4:7.6,11:12:4:7.6,THB:7:8:13:10.11,6:5:13:10.11,14:13:4.5.8:10.11,14:13:4:7.6|
CCC(=O)N1C2CC[C@H]1[C@@H]1CCC2N1C\C=C\c1ccc(cc1)[N+]([O-])=O |TLB:2:4:13:11.10,11:12:4:6.7,10:9:4:6.7,THB:14:13:4.5.8:11.10,14:13:4:6.7,6:5:13:11.10,7:8:13:11.10|
COc1cccc2c1O[C@H]1CCC[C@H]3CN(C)CC[C@]213 |r|
COc1cccc2c1O[C@H]1CCC[C@H]3CN(CCc4ccccc4)CC[C@]213 |r|
Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CCc4ccccc4)CC[C@]213 |r|
CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CSSC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
CCN(CC)C(=O)c1ccc(cc1)N([C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2OCOc2c1)c1ccccc1 |THB:22:21:14.15.20:18.17|
CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccco1)c1ccccc1 |THB:22:21:14.20.15:18.17|
CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)c1ccccc1 |THB:22:21:14.20.15:18.17|
CN(C(=O)c1ccc(cc1)N([C@H]1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1)c1ccccc1 |THB:19:18:11.17.12:14.15|
CCCCN(CC)C(=O)c1ccc(cc1)N([C@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)c1ccccc1 |THB:24:23:16.22.17:19.20|
CN(C)C(=O)c1ccc(cc1)N([C@H]1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1 |THB:20:19:12.18.13:16.15|
CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1C[C@@H]2CC[C@H](C1)N2CC1CCCCC1)c1ccccc1 |THB:22:21:14.20.15:18.17|
CCCN1[C@H]2CC[C@@H]1C[C@@H](C2)N(c1ccccc1)c1ccc(cc1)C(=O)N(CC)CC |THB:2:3:9.8.10:5.6|
CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccc(OC)c(OC)c1)c1ccccc1 |THB:22:21:14.20.15:18.17|
CCN(C)C(=O)c1ccc(cc1)N([C@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)c1ccccc1 |THB:21:20:13.19.14:16.17|
CN1[C@H]2CC[C@@H]1C[C@H](C2)N(c1ccccc1)c1ccc(cc1)C(=O)OC(C)(C)C |THB:0:1:7.6.8:3.4|
CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1 |THB:22:21:14.20.15:17.18|
CCCN(CCC)C(=O)c1ccc(cc1)N([C@H]1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1 |THB:24:23:16.22.17:20.19|
CN(C)C(=O)c1ccc(cc1)N([C@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)c1ccccc1 |THB:20:19:12.18.13:15.16|
CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1C[C@@H]2CC[C@H](C1)N2CCCc1ccccc1)c1ccccc1 |THB:22:21:14.20.15:17.18|
CCN(CC(C)=C)C(=O)c1ccc(cc1)N([C@H]1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1 |THB:24:23:16.22.17:20.19|
OC(=O)c1ccc(cc1)N([C@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)c1ccccc1 |THB:18:17:10.16.11:13.14|
O=C(N1CCCC1)c1ccc(cc1)N([C@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)c1ccccc1 |THB:22:21:14.20.15:17.18|
CCCCCCN1[C@H]2CC[C@@H]1C[C@@H](C2)N(c1ccccc1)c1ccc(cc1)C(=O)N(CC)CC |THB:5:6:12.11.13:8.9|
CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2OCOc2c1)c1ccccc1 |THB:22:21:14.15.20:17.18|
CCCN(CCC)C(=O)c1ccc(cc1)N([C@@H]1C[C@@H]2CC[C@H](C1)N2)c1ccccc1
CCN(CC)C(=O)c1ccc(cc1)N([C@H]1C[C@@H]2CC[C@H](C1)N2C)c1cccc(SC)c1 |THB:22:21:14.20.15:18.17|
CCC(CC)CN1[C@H]2CC[C@@H]1C[C@@H](C2)N(c1ccccc1)c1ccc(cc1)C(=O)N(CC)CC |THB:5:6:12.11.13:9.8|
CCN(CC)C(=O)c1ccc(cc1)N([C@H]1C[C@@H]2CC[C@H](C1)N2CC=C)c1ccccc1 |THB:22:21:14.20.15:18.17|
CN1[C@H]2CC[C@@H]1C[C@H](C2)N(c1ccccc1)c1ccc(cc1)C(=O)N1CCCC1 |THB:0:1:7.6.8:4.3|
CCCCN(CCC)C(=O)c1ccc(cc1)N([C@H]1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1 |THB:25:24:17.23.18:21.20|
CCN(C)C(=O)c1ccc(cc1)N([C@H]1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1 |THB:21:20:13.19.14:17.16|
CCN(CC(C)=C)C(=O)c1ccc(cc1)N([C@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)c1ccccc1 |THB:24:23:16.22.17:19.20|
CCN(CC)C(=O)c1ccc(cc1)N([C@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)c1ccccc1 |THB:22:21:14.20.15:17.18|
CCN(CC)C(=O)c1ccc(cc1)N([C@H]1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1 |THB:22:21:14.20.15:18.17|
CCCN1[C@H]2CC[C@@H]1C[C@H](C2)N(c1ccccc1)c1ccc(cc1)C(=O)N(CC)CC |THB:2:3:9.8.10:6.5|
CN1[C@H]2CC[C@@H]1C[C@H](C2)N(c1ccccc1)c1ccc(cc1)C(O)=O |THB:0:1:7.6.8:4.3|
CCN(CC)C(=O)c1ccc(cc1)N([C@H]1C[C@@H]2CC[C@H](C1)N2)c1ccccc1
CCN(Cc1ccc(C)cc1)C(=O)c1ccc(cc1)N([C@H]1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1 |THB:28:27:20.26.21:23.24|
CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1C[C@@H]2CC[C@H](C1)N2CC(c1ccccc1)c1ccccc1)c1ccccc1 |THB:22:21:14.15.20:17.18|
CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1C[C@@H]2CC[C@H](C1)N2)c1ccccc1
CCN(CC)C(=O)c1ccc(cc1)N([C@H]1C[C@@H]2CC[C@H](C1)N2C#N)c1ccccc1 |THB:22:21:14.15.20:18.17|
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#7](-[#6@@H]-1-[#6]-[#6@@H]-2-[#6]-[#6]-[#6@H](-[#6]-1)-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6])-c1ccccc1 |THB:22:21:14.20.15:17.18|
CCN(CC)C(=O)c1ccc(cc1)N([C@H]1C[C@@H]2CC[C@H](C1)N2C)c1cccc(OC)c1 |THB:22:21:14.20.15:18.17|
CCCN(CCC)C(=O)c1ccc(cc1)N([C@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)c1ccccc1 |THB:24:23:16.22.17:19.20|
CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccc(F)cc1)c1ccccc1 |THB:22:21:14.20.15:18.17|
CCCN(CCC)C(=O)c1ccc(cc1)N([C@@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)c1ccccc1 |THB:24:23:16.22.17:20.19|
CCC(O)(CC)c1ccc(cc1)C1(CCN(CC2CC2)CC1)c1cccc(c1)C(N)=O
CCN(C)C(=O)c1ccc(cc1)C1(CCCN(CC2CC2)C1)c1cccc(O)c1
CCN(CC)C(=O)c1ccc(cc1)C1(CCN(CCc2ccccc2)CC1)c1cccc(O)c1
CCCC(C)CN1CCC(CC1)(c1ccc(cc1)C(=O)N(C)C)c1cccc(O)c1
CCCCN1CCCC(C1)(c1ccc(cc1)C(=O)N(CC)CC)c1cccc(O)c1
CCN(CC)C(=O)c1ccc(cc1)C1(CCN(CC=C)CC1)c1cccc(O)c1
CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(CC2CC2)C1)c1cccc(O)c1
CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(Cc2nccs2)C1)c1cccc(O)c1
CCCC(C)CN1CCC(CC1)(c1ccc(cc1)C(O)(CC)CC)c1cccc(c1)C(N)=O
CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(CC(F)(F)F)C1)c1cccc(O)c1
CCCC(C)CN1CCC(CC1)(c1ccc(cc1)C(=O)N(CC)CC)c1cccc(O)c1
CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(Cc2nccs2)C1)c1cccc(c1)C(N)=O
CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(Cc2ncc[nH]2)C1)c1cccc(O)c1
CCN(CC)C(=O)c1ccc(cc1)C1(CCN(CC2CC2)CC1)c1cccc(O)c1
CC(C)(O)c1ccc(cc1)C1(CCCN(CC2CC2)C1)c1cccc(O)c1
CCN(CC)C(=O)c1ccc(cc1)N(C1CC2CCC(C1)N2C\C=C/C)c1cccc(OC)c1 |TLB:13:14:21:17.18|
CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(CC=C)C[C@@H]1C)c1ccccc1
[H][C@]12CC[C@]([H])(C[C@@H](C1)N(c1ccc(cc1)C(=O)N(CC)CC)c1cccc(O)c1)N2CC=C |r,TLB:9:7:30:3.2|
[H][C@]12CC[C@]([H])(C[C@@H](C1)N(c1ccc(cc1)C(=O)N(CC)CC)c1cccc(OC)c1)N2CC=C |r,TLB:9:7:31:3.2|
[H][C@]12[#6]-[#6][C@]([H])([#6]-[#6@@H](-[#6]1)-[#7](-c1ccc(cc1)-[#6](=O)-[#7](-[#6]-[#6])-[#6]-[#6])-c1cccc(-[#8]-[#6])c1)[#7]2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:9:7:31:3.2|
CN1CC[C@]2(CCc3ccccc3)[C@H](C1)Oc1c2cccc1O |r|
CC[C@@]12CCN(Cc3ccc(F)cc3)C[C@@H]1Oc1c2cccc1O |r|
CC[C@@]12CCN(CCc3ccc(F)cc3)C[C@@H]1Oc1c2cccc1O |r|
CC[C@@]12CCN(CCc3ccc(cc3)[N+]([O-])=O)C[C@@H]1Oc1c2cccc1O |r|
CC[C@@]12CCN(CC3CC3)C[C@@H]1Oc1c2cccc1O |r|
CC[C@@]12CCN(C)C[C@@H]1Oc1c2cccc1O |r|
CC[C@@]12CCN(CCc3ccccc3)C[C@@H]1Oc1c2cccc1O |r|
CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)[C@@H]2CC[C@@H](CC2)C(C)C)c1=O |r,wD:19.20,22.27,(27.93,-11.32,;26.39,-11.32,;25.62,-12.66,;26.39,-13.99,;24.08,-12.66,;23.31,-13.99,;23.64,-15.49,;24.98,-16.26,;24.98,-17.81,;23.65,-18.58,;22.31,-17.81,;22.32,-16.26,;21.17,-15.25,;19.85,-16.03,;18.51,-15.26,;17.19,-16.03,;17.19,-17.57,;18.53,-18.34,;19.86,-17.56,;15.86,-18.35,;15.87,-19.89,;14.53,-20.66,;13.19,-19.89,;13.2,-18.35,;14.52,-17.58,;11.86,-20.66,;10.53,-19.89,;11.86,-22.2,;21.78,-13.84,;21.01,-12.52,)|
CN(C)Cc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:12:13:25:17.23.22,31:14:25:17.23.22|
CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccc(cc12)N=C(N)N)ccc5O |wU:12.15,wD:4.8,5.5,TLB:28:9:12:1.3.2,7:8:12:1.3.2,(9.49,-.92,;8.17,-1.7,;7.47,-2.74,;7.17,-5.5,;8,-6.81,;8.74,-8.16,;7.29,-8.95,;5.68,-8.14,;6.48,-6.81,;5.72,-5.46,;6.5,-4.13,;8.17,-4.15,;8.79,-5.5,;9.57,-4.16,;10.33,-5.53,;11.08,-6.88,;10.28,-8.19,;11.28,-9.35,;12.7,-8.75,;14.08,-9.4,;15.33,-8.53,;15.19,-6.98,;13.81,-6.36,;12.56,-7.23,;16.46,-6.11,;17.87,-6.76,;19.12,-5.87,;17.99,-8.3,;4.18,-5.43,;3.36,-6.77,;4.14,-8.12,;3.03,-9.2,)|
NC(Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O)=NC#N |w:34.42,TLB:11:12:24:16.22.21,30:13:24:16.22.21|
Oc1ccc2CC3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2CC4(O)[C@H]6Cc7ccc(O)c8OC(c2c1CC35O)C4(CCN6CC1CC1)c78 |TLB:24:23:48.27.26:43.41.42,3:4:38:7.13.12,32:48:23:43.41.42,THB:22:23:48.27.26:43.41.42,28:27:23:43.41.42|
NC(=N)N=C(N)Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |w:3.2,TLB:15:16:28:20.26.25,34:17:28:20.26.25|
NC(=N)Cc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:12:13:25:17.23.22,31:14:25:17.23.22|
NC(=N)c1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:11:12:24:16.22.21,30:13:24:16.22.21|
C[N+](C)(C)Cc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:13:14:26:18.24.23,32:15:26:18.24.23|
COc1cccc(C)c1C(=O)C1=CCCN2CCC[C@@H]12 |r,t:12|
Cc1cccc(O)c1C(=O)C1=CCCN2CCC[C@@H]12 |r,t:11|
Cc1cccc(O)c1C(=O)C1=CCN2CCC[C@@H]12 |r,t:11|
Oc1ccccc1C(=O)C1=CCCN2CCC[C@@H]12 |r,t:10|
Cc1cccc(O)c1C(=O)C1=CCCCN2CCC[C@@H]12 |r,t:11|
Cc1cccc(O)c1C(=O)C1=CCC[NH+]2CCC[C@H]12 |t:11|
CCCCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
CCCCCCCCC(O)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
CCCCCCCCCCOc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
C(COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
OC(COc1ccccc1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,THB:27:26:18:32.15.16|
OC(COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
OC(COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)CC(O)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
OC(CCC(O)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,THB:23:22:14:28.11.12|
OC(CCCC(O)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,THB:24:23:15:29.12.13|
OC(CCCCC(O)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,THB:25:24:16:30.13.14|
OC(CCCCCC(O)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,THB:26:25:17:31.14.15|
OC(CCCCCCC(O)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,THB:27:26:18:32.15.16|
OC(COc1ccc(Cc2ccc(OCC(O)COc3ccc4C[C@@H]5[C@@H]6CCCC[C@]6(CCN5CC5CCC5)c4c3)cc2)cc1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
C(Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)C1CO1 |r,THB:17:16:8:22.5.6|
CO[C@H]1[C@@H](O)C[C@]23CCN(C)[C@@]22C[C@H](O[C@]12O)c1ccc(OC)c(O)c31 |r|
COC1=C(OC)[C@]23CCc4ccc(OC)c(O)c4[C@]2(CC(=O)N3C)CC1=O |r,c:2|
CO[C@H]1[C@H](C[C@]23CCN(C)[C@@]22C[C@H](O[C@]12OC)c1ccc(OC)c(O)c31)OC(=O)\C=C\c1ccc(OC)c(O)c1 |r|
COc1ccc2[C@@H]3C[C@]45N(C)CC[C@]4(C[C@H](OC(=O)\C=C\c4ccccc4)[C@H](O)[C@@]5(OC)O3)c2c1O |r|
COC1=CC[C@]23CCN(C)[C@@]22C[C@H](O[C@@]12O)c1ccc(OC)c(O)c31 |r,t:2|
COC1=C2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3)C[C@H](O)[C@@H]1O |r,c:2|
CO[C@H]1[C@H](C[C@]23CC(=O)N(C)[C@@]22C[C@H](O[C@]12OC)c1ccc(OC)c(O)c31)OC(=O)\C=C\c1ccccc1 |r|
COC1=C(OC)[C@]23CCc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O |r,c:2|
CO[C@H]1[C@@H](O)C[C@]23CCN(C)[C@@]22C[C@H](O[C@]12OC)c1ccc(OC)c(O)c31 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N\C(=C/c1ccccc1)C(=O)N\C(=C/c1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N\C(=C/c1ccccc1)C(N)=O |r|
CCCCCCN1C[C@H](C)N(C[C@H]1C)C(c1ccc(cc1)C(=O)N(CC)CC)c1cccc(OC)c1
CCN(CC)C(=O)c1ccc(cc1)C(N1C[C@@H](C)N(CCc2ccccc2)C[C@@H]1C)c1cccc(OC)c1
CCN(CC)C(=O)c1ccc(cc1)C(N1C[C@@H](C)NC[C@@H]1C)c1cccc(OC)c1
CCN(CC)C(=O)c1ccc(cc1)C(N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C)c1cccc(OC)c1
CCN(CC)C(=O)c1ccc(cc1)C(N1C[C@@H](C)N(CC(C)=C)C[C@@H]1C)c1cccc(OC)c1
CCN(CC)C(=O)c1ccc(cc1)C(N1C[C@@H](C)N(CC2CC2)C[C@@H]1C)c1cccc(OC)c1
CCN(CC)C(=O)c1ccc(cc1)C(N1C[C@@H](C)N(CCCc2ccccc2)C[C@@H]1C)c1cccc(OC)c1
CCCCN1C[C@H](C)N(C[C@H]1C)C(c1ccc(cc1)C(=O)N(CC)CC)c1cccc(OC)c1
CCN(CC)C(=O)c1ccc(cc1)C(N1C[C@@H](C)N(CC)C[C@@H]1C)c1cccc(OC)c1
CCN(CC)C(=O)c1ccc(cc1)C(N1C[C@@H](C)N(C\C=C\C)C[C@@H]1C)c1cccc(OC)c1
CCCCCN1C[C@H](C)N(C[C@H]1C)C(c1ccc(cc1)C(=O)N(CC)CC)c1cccc(OC)c1
CCN(CC)C(=O)c1ccc(cc1)C(N1C[C@@H](C)N(C)C[C@@H]1C)c1cccc(OC)c1
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O |r|
C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)cc1 |r,TLB:5:6:12.11.13:9.8|
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CCCc2ccccc2)c1 |r,TLB:17:16:9.15.10:13.12|
Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)o1 |r,TLB:5:6:12.11.13:9.8|
Cc1cccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)c1 |r,TLB:6:7:13.12.14:10.9|
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC(=O)Nc2ccccc2)c1 |r,TLB:17:16:9.15.10:13.12|
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC(=O)N2CCCC2)c1 |r,TLB:17:16:9.15.10:13.12|
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)c1 |r,TLB:17:16:9.15.10:13.12|
Cc1ccccc1CN1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O |r,TLB:7:8:14.13.15:11.10|
O=C(Nc1cccc(NC(=O)c2cccc(c2)N2CCOCC2)c1)c1cccc(OC2CCN(CC3CC3)CC2)c1
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2cccnc2)c1 |r,TLB:17:16:9.15.10:13.12|
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccn2)c1 |r,TLB:17:16:9.15.10:13.12|
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccncc2)c1 |r,TLB:17:16:9.15.10:13.12|
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC2CC2)c1 |r,TLB:17:16:9.15.10:13.12|
CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccccc2CN1
Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)s1 |r,TLB:5:6:12.11.13:9.8|
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2cccs2)c1 |r,TLB:17:16:9.15.10:13.12|
NC(=O)c1cccc(OC2CCN(Cc3ccccc3)CC2)c1
Cn1cc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)cn1 |r,TLB:4:5:11.10.12:8.7|
CS(=O)(=O)Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)cc1 |r,TLB:9:10:16.15.17:13.12|
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccc3OCOc3c2)c1 |r,TLB:17:16:9.15.10:13.12|
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC2CCCCC2)c1 |r,TLB:17:16:9.15.10:13.12|
CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
COC(=O)[C@@H]1C[C@H](OC(=O)[C@H](C)N)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
COC(=O)[C@@H]1C[C@H](OC(=O)[C@@H](N)C(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CC[C@H]2NCC(O)=O)OCCCc1ccccc1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CC[C@@H]2NCC(O)=O)OCCCc1ccccc1)ccc3O
Oc1cccc(c1)[C@@]12CCC[C@@H](C1)N(C[C@@H]1C[C@H]1c1ccccc1)CC2 |r|
Oc1cccc(c1)[C@@]12CCC[C@@H](C1)N(C[C@H]1C[C@@H]1c1ccccc1)CC2 |r|
Oc1cccc(c1)[C@]12CCC[C@H](C1)N(C[C@H]1C[C@@H]1c1ccccc1)CC2 |r|
Oc1cccc(c1)[C@@]12CCC[C@@H](C1)N(C\C=C/c1ccccc1)CC2 |r|
Oc1cccc(c1)[C@]12CCC[C@H](C1)N(C[C@@H]1C[C@H]1c1ccccc1)CC2 |r|
Oc1cccc(c1)[C@@]12CCC[C@@H](C1)N(C\C=C\c1ccccc1)CC2 |r|
Oc1cccc(c1)[C@]12CCC[C@H](C1)N(C\C=C/c1ccccc1)CC2 |r|
Oc1cccc(c1)[C@]12CCC[C@H](C1)N(C[C@H]1C[C@H]1c1ccccc1)CC2 |r|
Oc1cccc(c1)[C@@]12CCC[C@@H](C1)N(C[C@@H]1C[C@@H]1c1ccccc1)CC2 |r|
Oc1cccc(c1)[C@]12CCC[C@H](C1)N(C\C=C\c1ccccc1)CC2 |r|
Oc1cccc(c1)[C@]12CCC[C@H](C1)N(C[C@@H]1C[C@@H]1c1ccccc1)CC2 |r|
Oc1cccc(c1)[C@@]12CCC[C@@H](C1)N(C[C@H]1C[C@H]1c1ccccc1)CC2 |r|
C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CC#N |TLB:9:10:1:15.13.14,16:15:1:10.4.3|
C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCC#C |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCC=C |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCC=C |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCC#C |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
CC#CCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:3:4:9:19.13.12,THB:18:19:9:4.6.5|
C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCC=C |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CC=C |TLB:9:10:1:15.13.14,16:15:1:10.4.3|
NC(Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)N=C=S)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
NC(Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)N=C=S)C(O)=O
CC(C)CC(NC(=O)C(Cc1ccc(cc1)N=C=S)NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(O)cc1)N(Cc1ccccc1)Cc1ccccc1)C(O)=O
NC(Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(N)cc1)C(O)=O
NC(Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccc(N)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(OC)c(OC)c1 |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccc(c1)C(F)(F)F |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
CCOC(=O)C1=C(C2OC1C=C2[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1)C(=O)OCC |r,c:11,t:5,TLB:3:5:11.10:8,12:11:8:5.6,THB:38:6:11.10:8|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C1=CC2OC1C1C2C2OC1(C)c1c2c2ccccc2c(=O)c2ccccc12 |r,t:29,TLB:22:26:29:31.32,30:31:34:37.38,33:32:27.26:29,52:37:31.32:34,THB:39:38:31.32:34|
CCOC(=O)c1ccc(cc1C(=O)OCC)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1 |r|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccc(C(=O)OC)c(c1)C(=O)OC |r|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccc2ccccc2c1 |r|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C1=CC2OC1C1C3OC(C21)c1c3c2ccccc2c(=O)c2ccccc12 |r,t:29,TLB:22:26:29:31.35,30:31:33:37.36,34:35:27.26:29,51:36:31.35:33,THB:38:37:31.35:33|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C1=CC2OC1C(C(=O)OC)=C2C(=O)OC |r,c:39,t:29,TLB:32:31:26.27:29,THB:37:36:26.27:29,22:26:29:36.31|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C1=CC2OC1c1ccccc21 |r,t:29,TLB:32:31:26.27:29,THB:35:36:26.27:29,22:26:29:36.31|
C(CCCCCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1)CCCCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r,THB:24:23:12.11.13:15|
O=C(CCCCCCCCC(=O)Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1)Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r,THB:55:54:43.42.44:46|
O[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC=C)CC[C@@]235)ccc4OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r|
O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@@H]5[C@@H]6CCCC[C@]6(CCN5CC5CCC5)c4c3)cc12 |r,TLB:10:9:17.58.16:1|
CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(O)cc12 |r,TLB:11:10:17.24.18:2|
CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@H]5N(CC=C)CC[C@@]67[C@@H](Oc3c46)C(=O)CC[C@@]57O)cc12 |r,TLB:11:10:18.60.17:2|
CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)OCc3ccccc3)cc12 |r,TLB:11:10:18.44.17:2|
CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@H]5N(CC6CCC6)CC[C@@]6(CCCC[C@@]56OC)c4c3)cc12 |r,TLB:11:10:18.61.17:2|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(O)=O
CC(C)C[C@H](NC(=O)[C@@H](Cc1c(C)cccc1C)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(O)=O
CC(C)C[C@H](NC(=O)[C@@H](Cc1c(C)cccc1C)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1c(C)cccc1C)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Oc1cccc2c1O[C@H]1CC[C@@H]3C[C@]21CCN3CCc1ccccc1 |r|
Oc1ccc2O[C@H]3CC[C@@H]4C[C@]3(CCN4CCc3ccccc3)c2c1 |r|
Oc1ccc2O[C@@H]3CC[C@@H]4C[C@]3(CCN4CCc3ccccc3)c2c1 |r|
CN1CC[C@]23C[C@H]1CC[C@H]2Oc1ccc(O)cc31 |r|
Oc1cccc2c1O[C@@H]1CC[C@@H]3C[C@]21CCN3CCc1ccccc1 |r|
CN1CC[C@]23C[C@H]1CC[C@H]2Oc1c3cccc1O |r|
Oc1cccc2c1O[C@@H]1CN(CCc3ccccc3)[C@@H]3CCC[C@]21C3 |r|
Oc1ccc2O[C@@H]3CN(CCc4ccccc4)[C@@H]4CCC[C@]3(C4)c2c1 |r|
CN1C[C@H]2Oc3c(cccc3O)[C@@]22CCC[C@@H]1C2 |r|
CN1C[C@H]2Oc3ccc(O)cc3[C@@]22CCC[C@@H]1C2 |r|
[#6]-[#6]-[#6]-[#6]-[#6]\[#6]=[#6]\c1c(-[#8])cc(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c1-[#6]-[#8]
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)CNC(=O)c1ccncc1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)Cc1ccncc1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccncc1Br |r|
Cc1cc(ccn1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Cc1cnccc1C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccncc1Cl |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccnc(Cl)c1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)CCc1ccncc1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccnc(Br)c1 |r|
CN1CCC(CC1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC1CC4CCC1C4)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:29.28:4.3,11:12:18:16.15|
CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)c1ccc(cc1)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:31.30:4.3|
CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4c5c(O[C@@H]2[C@@]35CCN1CC1CC1)c(O)cc4Cl |r|
CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4c5c(O[C@@H]2[C@@]35CCN1CC1CC1)c(O)cc4Br |r|
CCC(C)(C)[C@](C)(O)[C@H]1C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4O |r|
CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC(C)(C)c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)C(C)(C)C)ccc3O |r,TLB:25:17:4.5.6:9.15.14,18:17:4.5.6:9.15.14,THB:10:9:17:4.5.6,3:4:17:9.15.14,26:23:16.1:18.19|
CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4cc(Br)c(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r|
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NC1Cc2ccccc2CN(CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(N)=O)C1=O |r|
CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C |r|
C[C@H]1CN(CC[C@@]1(C)c2cccc(c2)O)C[C@H](C(C)C)NC(=O)[C@H]3Cc4ccc(cc4CN3)O
NC(=O)c1ccc(Oc2ccc(CN3CCCC3c3cccnc3)cc2)c(Cl)c1
NC(=O)c1ccc(Oc2ccc(CN3CCC[C@H]3c3cccnc3)cc2)c(Cl)c1 |r|
NC(=O)c1ccc(Oc2ccc(CN3CCC[C@@H]3c3cccnc3)cc2)c(Cl)c1 |r|
NC(=O)c1ccc(Oc2ccc(CN3CCCC3c3cccc(F)c3)cc2)c(F)c1
CC1(C)CN(Cc2ccc(Oc3ccc(cn3)C(N)=O)cc2)[C@H]1c1ccccc1 |r|
CC1(C)CN(Cc2ccc(Oc3ccc(cn3)C(N)=O)cc2)C1c1ccccc1
NC(=O)c1ccc(Oc2ccc(CN3CCCC3c3ccccc3)cc2)nc1
CC1(C)CN(Cc2ccc(Oc3ccc(cn3)C(N)=O)cc2)[C@@H]1c1ccccc1 |r|
NC(=O)c1ccc(Oc2ccc(CN3CCCC3c3cccnc3)cc2)nc1
NC(=O)c1ccc(Oc2ccc(CN3CCC[C@H]3c3cccc(F)c3)cc2)c(F)c1 |r|
NC(=O)c1ccc(Oc2ccc(CN3CCC[C@@H]3c3cccc(F)c3)cc2)c(F)c1 |r|
COC(=O)N1CCN([C@@H](C1)CN2CCCC2)C(=O)Cc3ccc(c(c3)Cl)Cl
Cc1cc(C)cc(c1)[C@@H]1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)cc1 |r|
Cc1cc(C)cc(c1)[C@H]1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)cc1 |r|
CC(C)CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1ccc(O)cc31 |r,THB:3:4:20:29.23.22|
CC(C)CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1cccc(O)c31 |r,THB:3:4:20:29.23.22|
Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3CC3CC3)c2c1 |r,THB:24:23:7:28.4.5|
CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:17:26.20.19|
CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1cccc(O)c31 |r,THB:0:1:17:26.20.19|
Oc1cccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3CC3CC3)c12 |r,THB:25:24:8:29.5.6|
FCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
FCCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
FCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
CCN(C)C(=O)c1ccc(cc1)[C@@H](N1CCN(CCCOC)CC1)c1cccc(NC(=O)C2CC2)c1 |r|
CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1CCN(CCOC)CC1)c1cccc(NC(=O)C2CC2)c1 |r|
CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2cccnc2)CC1)c1cccc(NC(=O)OC)c1 |r|
CCOC(=O)Nc1cccc(c1)[C@H](N1CCN(Cc2cscn2)CC1)c1ccc(cc1)C(=O)N(CC)CC |r|
CCOC(=O)Nc1ccccc1[C@H](N1CCN(Cc2cscn2)CC1)c1ccc(cc1)C(=O)N(CC)CC |r|
CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2ccc(F)cc2)CC1)c1cccc(NC(=O)C2CC2)c1 |r|
CCOC(=O)Nc1ccccc1[C@H](N1CCN(Cc2ccccn2)CC1)c1ccc(cc1)C(=O)N(CC)CC |r|
CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2cncs2)CC1)c1cccc(NC(=O)OC)c1 |r|
CCOC(=O)Nc1ccc(cc1)[C@H](N1CCN(Cc2cscn2)CC1)c1ccc(cc1)C(=O)N(CC)CC |r|
Fc1ccc(CN2CCN(CC2)[C@H](c2ccc(cc2)C(=O)N2CCC2)c2cccc(NC(=O)C3CC3)c2)cc1 |r|
CCOC(=O)Nc1cccc(c1)[C@H](N1CCN(Cc2cnc(C)[nH]2)CC1)c1ccc(cc1)C(=O)N(C)CC |r|
CN(CCO)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2ccc(F)cc2)CC1)c1cccc(NC(=O)C2CC2)c1 |r|
CCOC(=O)Nc1cccc(c1)[C@H](N1CCN(Cc2[nH]cnc2C)CC1)c1ccc(cc1)C(=O)N(C)CC |r|
CCOC(=O)Nc1cccc(c1)[C@H](N1CCN(Cc2cccnc2)CC1)c1ccc(cc1)C(=O)N1CCC1 |r|
CCN(C)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2cccnc2)CC1)c1cccc(NC(=O)C2CCC2)c1 |r|
CCN(C)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2cscn2)CC1)c1cccc(NC(=O)OC)c1 |r|
CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2ccccn2)CC1)c1cccc(NC(=O)C2CC2)c1 |r|
CCN(C)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2ccccn2)CC1)c1cccnc1 |r|
CCN(C)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2cscn2)CC1)c1cccnc1 |r|
CCN(C)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2nc(C)cs2)CC1)c1cccc(NC(=O)C2CC2)c1 |r|
CCN(C)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2ccccn2)CC1)c1ccccn1 |r|
[#6]-[#7](-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2cscn2)-[#6]-[#6]-1)\c1ccccn1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2ccc(F)cc2)-[#6]-[#6]-1)\c1cccc(F)c1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2ccc(F)cc2)-[#6]-[#6]-1)\c1ccccn1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2ccc(F)cc2)-[#6]-[#6]-1)\c1cccnc1
O=[#6](-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2cscn2)-[#6]-[#6]-1)\c1cccc2cccnc12
O=[#6](-[#7]-1-[#6]-[#6]-[#6]-1)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2cscn2)-[#6]-[#6]-1)\c1cccc2cccnc12
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2ccc(F)cc2)-[#6]-[#6]-1)\c1ccncc1
[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2cscn2)-[#6]-[#6]-1)\c1cccc2cccnc12
[#6]-[#7](-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2cscn2)-[#6]-[#6]-1)\c1cccc2cccnc12
[#8]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2cscn2)-[#6]-[#6]-1)\c1cccc2cccnc12
[#6]-[#7](-[#6]-[#6]-[#8])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2cscn2)-[#6]-[#6]-1)\c1cccc2cccnc12
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccccn1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2cscn2)-[#6]-[#6]-1)\c1ccccn1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2ccc(F)cc2)-[#6]-[#6]-1)\c1ccccc1-[#7]-[#6](=O)-[#8]-[#6]
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2ccc(F)cc2)-[#6]-[#6]-1)\c1cccc(-[#7]-[#6](=O)-[#8]-[#6])c1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2ccc(F)cc2)-[#6]-[#6]-1)\c1ccc(-[#7]-[#6](=O)-[#8]-[#6])cc1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2cscn2)-[#6]-[#6]-1)\c1cccc2cccnc12
O=[#6](-[#7]-1-[#6]-[#6]-[#6]-[#6]-1)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2cscn2)-[#6]-[#6]-1)\c1cccc2cccnc12
[#6]-[#6]-[#7](-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2cscn2)-[#6]-[#6]-1)\c1cccc2cccnc12
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2ccc(F)cc2)-[#6]-[#6]-1)\c1cccc2cccnc12
[#6]-[#6]-[#7](-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2ccc(F)cc2)-[#6]-[#6]-1)\c1ccccc1-[#7]-[#6](-[#6])=O
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2ccc(F)cc2)-[#6]-[#6]-1)\c1cccc(-[#7]-[#6](-[#6])=O)c1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2ccc(F)cc2)-[#6]-[#6]-1)\c1ccc(-[#7]-[#6](-[#6])=O)cc1
CCS(=O)(=O)n1c2CCN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCOCC1
CN1C[C@@H](O)[C@@]2(CCC[C@H]1C2)c1cccc(O)c1 |r|
CN1C[C@H](O)[C@@]2(CCC[C@H]1C2)c1cccc(O)c1 |r|
CN1CC2(OCCO2)[C@@]2(CCC[C@H]1C2)c1cccc(O)c1 |r|
CN1C2C[C@](CCC2)([C@@H]1CO)c1cccc(O)c1 |r|
O[C@H]1CN(CCc2ccccc2)[C@H]2CCC[C@@]1(C2)c1cccc(O)c1 |r|
O[C@@H]1CN(CCc2ccccc2)[C@H]2CCC[C@@]1(C2)c1cccc(O)c1 |r|
COc1ccc2CC3C4CC5C(C)C(=NC5C5Oc1c2C45CCN3C)C(=O)OCC(C)C |c:13,TLB:18:19:8:23.21.22,24:23:8:19.5.6|
COc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CC3)c2c1O)[nH]c1ccccc51
CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |TLB:0:1:9:11.12.18|
Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3C[C@@H]3CCCO3)c2c1 |TLB:16:15:5.22.4:7|
Oc1ccc2C(=O)C3C4CCCCC4(CCN3CC3CC3)c2c1 |TLB:6:5:8:14.15.16,22:21:8:14.15.16,THB:17:16:8:4.5.21,9:8:14.15.16:4.5.21|
C[C@H]1C2N(CC3CCCO3)CC[C@]1(C)c1cc(O)ccc1C2=O |TLB:4:3:21.14.20:1,15:14:1:3.11.10,THB:22:21:1:3.11.10|
Oc1ccc2C(=O)C3C4CCCCC4(CCN3CC3CCCO3)c2c1 |TLB:6:5:8:14.15.16,24:23:8:14.15.16,THB:17:16:8:4.5.23,9:8:14.15.16:4.5.23|
Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@H](CC[C@@]35O)NC(=O)CNC(=O)c1ccc(C=O)c(C=O)c1 |TLB:23:22:18.4.5:7.13.12,THB:8:7:22:18.4.5,17:18:22:7.13.12|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]1O)C(N)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Clc1ccc(\C=C\C(=O)NC23CCC(=O)C4Oc5cccc6CC2N(CC2CC2)CC[C@@]34c56)cc1 |THB:17:32:10:24.30.29,20:21:10:24.30.29|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)\C=C\c1ccc(Cl)cc1)ccc3O |r,THB:10:9:17:6.5.4|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)\C=C\c1ccc(Cl)cc1)ccc3OC |r|
CNc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C |c:9|
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5Nc1ccccc1 |c:16|
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5N |c:16|
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5NCc1ccccc1 |c:16|
CN(C)c1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C |c:10|
CO[C@]12C=CC3(CC11CCC[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1CC1CC1)c45 |c:3,TLB:27:26:5:31.15.14,31:23:7.6:4.3,11:7:23.22:4.3,20:31:5:26.24.25,21:22:7.6:4.3,6:5:31.15.14:26.24.25,THB:4:5:31.15.14:26.24.25,24:23:7.6:4.3|
CO[C@]12C=CC3(CC11CCC(C)(C)[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1C)c45 |c:3,TLB:30:25:7.6:4.3,22:30:5:28.26.27,23:24:7.6:4.3,6:5:30.17.16:28.26.27,29:28:5:30.17.16,13:7:25.24:4.3,THB:26:25:7.6:4.3,4:5:30.17.16:28.26.27|
CO[C@]12C=CC3(CC11CCC(C)(C)[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1CC1CC1)c45 |c:3,TLB:29:28:5:33.17.16,33:25:7.6:4.3,22:33:5:28.26.27,23:24:7.6:4.3,6:5:33.17.16:28.26.27,13:7:25.24:4.3,THB:26:25:7.6:4.3,4:5:33.17.16:28.26.27|
CO[C@]12C=CC3(CC11CCC[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1C)c45 |c:3,TLB:11:7:23.22:4.3,28:23:7.6:4.3,20:28:5:26.24.25,21:22:7.6:4.3,27:26:5:28.15.14,6:5:28.15.14:26.24.25,THB:4:5:28.15.14:26.24.25,24:23:7.6:4.3|
CCC(=O)N([C@H]1CCN(CCc2ccccc2)C[C@H]1C)c1ccccc1
CCC(=O)N(c1ccccc1)[C@]1(COC)CC[NH+](CCc2ccccc2)CC1 |wU:11.11,wD:11.12,(12.88,-3.1,;11.39,-2.71,;10.3,-3.8,;10.51,-5.33,;8.97,-3.03,;8.97,-1.49,;10.3,-.72,;10.29,.82,;8.94,1.58,;7.61,.79,;7.63,-.73,;7.89,-4.13,;7.87,-5.67,;6.54,-6.44,;6.53,-7.98,;7.63,-2.6,;5.86,-2.62,;4.81,-1.8,;3.88,-3.03,;2.36,-2.85,;1.45,-4.09,;-.09,-3.93,;-1,-5.16,;-.39,-6.58,;1.15,-6.75,;2.06,-5.51,;5.07,-3.34,;6.91,-3.34,)|
CCC(=O)N(c1ccccc1)C2(CCN(CC2)CCc3ccccc3)C(=O)OC
COCN1CN(c2ccccc2)C2(CCN(CC2)C2CCc3cccc(Cl)c3C2)C1=O
Cc1cccc2C(CCCc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Clc1ccc(Cl)c2CC(CCc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Clc1ccc(Cl)c2C[C@H](CCc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1
O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1CCCc2ccccc12
Clc1ccc(Cl)c2CC(CCc12)N1CCC2(CC1)N(CN(Cc1ccccc1)C2=O)c1ccccc1
OCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCc3cccc(Cl)c3C2)C1=O
Clc1cccc2CC(CCc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Clc1ccc2CCC(Cc2c1)N1CCC2(CC1)N(CNC2=O)c1ccccc1
CN1CN(c2ccccc2)C2(CCN(CC2)C2CCc3c(Cl)ccc(Cl)c3C2)C1=O
O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCc2ccccc2C1
Clc1ccc(Cl)c2C[C@@H](CCc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Clc1ccc2CC(CCc2c1)N1CCC2(CC1)N(CNC2=O)c1ccccc1
O=C1NCN(c2ccccc2)C11CCN(CC1)C1Cc2ccccc2C1
Clc1cccc2CCC(Cc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Clc1cccc2CCC(Cc12)N1CCC2(CC1)N(CN(CC(=O)c1ccccc1)C2=O)c1ccccc1
[H][C@](C)(OCc1ccccc1)[C@]1([H])C[C@]23C=C[C@]1(OC)[C@@]1([H])Oc4c5c(C[C@@]2([H])N(C)CCC315)ccc4O |r,c:16,TLB:23:24:14:29.31.32,1:11:33.20:16.15,30:29:24.25.26:14,THB:13:14:24.25.26:29.31.32,15:14:24.25.26:29.31.32|
CCC[C@@](C)(O)[C@@H]1CC23C=C[C@]1(OC)[C@H]1Oc4c5c(CC2N(C)CCC315)ccc4O |r,c:9,TLB:16:17:8:21.23.24,3:6:25.14:10.9,24:25:7.6:10.9,22:21:17.18.19:8,THB:17:25:7.6:10.9,7:8:17.18.19:21.23.24,9:8:17.18.19:21.23.24,15:14:7.6:10.9|
CCO[C@@H](C)[C@@H]1CC23C=C[C@]1(OC)[C@H]1Oc4c5c(CC2N(C)CCC315)ccc4O |r,c:8,TLB:15:16:7:20.22.23,3:5:24.13:9.8,23:24:6.5:9.8,21:20:16.17.18:7,THB:16:24:6.5:9.8,6:7:16.17.18:20.22.23,8:7:16.17.18:20.22.23,14:13:6.5:9.8|
CCC[C@](C)(O)[C@@H]1CC23C=C[C@]1(OC)[C@H]1Oc4c5c(CC2N(C)CCC315)ccc4O |r,c:9,TLB:16:17:8:21.23.24,3:6:25.14:10.9,24:25:7.6:10.9,22:21:17.18.19:8,THB:17:25:7.6:10.9,7:8:17.18.19:21.23.24,9:8:17.18.19:21.23.24,15:14:7.6:10.9|
[H][C@](C)(OCC)[C@]1([H])C[C@]23C=C[C@]1(OC)[C@@]1([H])Oc4c5c(C[C@@]2([H])N(C)CCC315)ccc4O |r,c:10,TLB:18:19:9:24.26.27,1:6:28.15:11.10,25:24:19.20.21:9,THB:8:9:19.20.21:24.26.27,10:9:19.20.21:24.26.27|
[H][C@@](C)(OCc1ccccc1)[C@]1([H])C[C@]23C=C[C@]1(OC)[C@@]1([H])Oc4c5c(C[C@@]2([H])N(C)CCC315)ccc4O |r,c:16,TLB:23:24:14:29.31.32,1:11:33.20:16.15,30:29:24.25.26:14,THB:13:14:24.25.26:29.31.32,15:14:24.25.26:29.31.32|
CO[C@@H](C)[C@@H]1CC23C=C[C@]1(OC)[C@H]1Oc4c5c(CC2N(C)CCC315)ccc4O |r,c:7,TLB:14:15:6:19.21.22,2:4:23.12:8.7,22:23:5.4:8.7,20:19:15.16.17:6,THB:15:23:5.4:8.7,5:6:15.16.17:19.21.22,7:6:15.16.17:19.21.22,13:12:5.4:8.7|
CO[C@H](C)[C@@H]1CC23C=C[C@]1(OC)[C@H]1Oc4c5c(CC2N(C)CCC315)ccc4O |r,c:7,TLB:14:15:6:19.21.22,2:4:23.12:8.7,22:23:5.4:8.7,20:19:15.16.17:6,THB:15:23:5.4:8.7,5:6:15.16.17:19.21.22,7:6:15.16.17:19.21.22,13:12:5.4:8.7|
CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)C1Cc2ccc(O)cc2CN1
O=C(OC1CCc2ccccc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Clc1cc2OCOc2cc1COC(=O)NCCn1c2ccccc2[nH]c1=O
O=C(OCc1cccc(Oc2ccccc2)c1)N1CCC2(CC1)N(CNC2=O)c1ccccc1
CCOC(=O)C1(CCN(C)CC1)c1ccccc1
Clc1cc2OCOc2cc1COC(=O)N1CCC(CC1)N1C(=O)CNc2ccccc12
O=C(NCc1ccc2OCOc2c1)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Cc1ccc2[nH]c(=O)n(C3CCN(Cc4cc5OCOc5cc4Cl)CC3)c2c1
Clc1cc2OCOc2cc1CN1CCC(CC1)N1C(=O)CNc2ccccc12
[O-][N+](=O)c1ccc(N2CCN(CC2)C(=O)Cc2c[nH]c3ccc(Br)cc23)c2[n-][o+]nc12
O=C(OCc1cccnc1)N1CCC2(CC1)N(CNC2=O)c1ccccc1
COc1cc(\C=C\C(=O)N2CCC(CC2)n2[c-]3ccccc3nc2=[OH+])c(cc1OC)[N+]([O-])=O
[O-][N+](=O)c1cc2OCOc2cc1C=CC(=O)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |w:12.13|
COc1ccc(CN2CCC(CC2)n2c3ccccc3[nH]c2=O)c(Cl)c1
COc1cc(C=CC(=O)N2CCC3(CC2)N(CNC3=O)c2ccccc2)c(cc1OC)[N+]([O-])=O |w:5.4|
[O-][N+](=O)c1cc2OCOc2cc1COC(=O)N1CCC2(CC1)N(CNC2=O)c1ccccc1
O=C(OCc1ccc2nsnc2c1)N1CCC2(CC1)N(CNC2=O)c1ccccc1
O=C1NCN(c2ccccc2)C11CCN(Cc2cccc(Oc3ccccc3)c2)CC1
[O-][N+](=O)c1cc2OCOc2cc1COC(=O)N1CCC(=CC1)n1[c-]2ccccc2nc1=[OH+] |c:21|
Cc1ncc(n1CCNC(=O)N1CCC(CC1)c1cc(n[nH]1)-c1ccc(Cl)cc1Cl)[N+]([O-])=O
Clc1cc2OCOc2cc1COC(=O)NCCCn1c2ccccc2[nH]c1=O
O=C1NCN(c2ccccc2)C11CCN(Cc2ccc3nsnc3c2)CC1
O=C(OCc1ccc2OCOc2c1)N1CCC2(CC1)N(CNC2=O)c1ccccc1
COC(=O)c1csc(c1OC)S(=O)(=O)N1CCN(CC1)C(=O)c1ccccc1Nc1ccccc1
O=C1NCN(c2ccccc2)C11CCN(Cc2ccc3OCOc3c2)CC1
Clc1cc2OCOc2cc1COC(=O)N1CCC2(CC1)N(CNC2=O)c1ccccc1
[O-][N+](=O)c1ccc(c(c1)[N+]([O-])=O)S(=O)(=O)N1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1
CNC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3cc4OCOc4cc3Cl)CC2)C1=O
CNC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)OCc2cc3OCOc3cc2Cl)C1=O
[O-][N+](=O)c1cc2OCOc2cc1CN1CCC(CC1)n1[c-]2ccccc2nc1=[OH+]
Clc1cc2OCOc2cc1CNCCCn1c2ccccc2[nH]c1=O
COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C |c:9,THB:9:8:16.5.6:20.18.19|
Clc1cc2OCOc2cc1CN1CCC(CC1)n1c2ccccc2[nH]c1=O
[O-][N+](=O)c1cc2OCOc2cc1CN1CCC(=CC1)n1[c-]2ccccc2nc1=[OH+] |c:18|
Clc1cc2OCOc2cc1CN1CCC2(CC1)N(CNC2=O)c1ccccc1
Cc1ccc2[nH]c(=O)n(C3CCN(CC3)C(=O)OCc3cc4OCOc4cc3Cl)c2c1
COc1cc(CC(=O)N2CCC(CC2)n2[c-]3ccccc3nc2=[OH+])c(cc1OC)[N+]([O-])=O
OC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)OCc2cc3OCOc3cc2Cl)C1=O
[O-][N+](=O)c1cc2OCOc2cc1COC(=O)N1CCC(CC1)n1[c-]2ccccc2nc1=[OH+]
Clc1cc2OCOc2cc1COC(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)CCCc1ccccc1)c1ccc(F)cc1
CCOc1ccc(CCNC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
c1ccc(cc1)CCCN2CCN(CC2)CCOC(c3ccc(cc3)F)c4ccc(cc4)F
Clc1cc2OCOc2cc1CN1CCC(CC1)n1c2ccccc2[nH]c(=O)c1=O
Fc1ccc(cc1)C(N1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(CCC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
c1ccc2c(c1)NC(=O)N2C3CCN(CC3)CCCC(c4ccc(cc4)F)c5ccc(cc5)F
Fc1ccc(cc1)C(CCCN1CCC(CC1)NC(=O)OCCc1ccc(cc1)C#N)c1ccc(F)cc1
Cc1ccc(CN2CCC(CC2)n2c3ccccc3[nH]c2=O)c(Cl)c1
Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
Oc1ccc2CC3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2c(NC(=O)c4ccc(C=O)c(C=O)c4)cccc2c1C[C@@]35O |TLB:17:18:42:7.13.12,3:4:42:7.13.12|
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](Cc1c(C)cccc1C)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c(C)cccc1C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c(C)cccc1C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c(C)cccc1C)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Cc1ccc(cc1)-c1cn(Cc2ccccc2)c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc12)ccc4O |TLB:37:22:33:25.31.30,20:21:33:25.31.30|
COc1ccc2CC3N(C)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c(cn1Cc1ccccc1)-c1ccccc1 |TLB:4:5:20:8.11.10,15:16:20:8.11.10|
CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c(cn(Cc2ccccc2)c41)-c1ccccc1)ccc5O |TLB:33:9:12:1.3.2,7:8:12:1.3.2|
Cc1c(c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c2n1Cc1ccccc1)[C@]3(CCN4CC1CC1)c56)-c1ccccc1 |THB:10:9:5:29.27.28,14:34:5:29.27.28|
Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]cc(c1C[C@@]35O)-c1ccccc1 |TLB:17:18:25:7.13.12,3:4:25:7.13.12|
CCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c(cn(Cc2ccccc2)c41)-c1ccccc1)ccc5O |TLB:35:11:14:3.5.4,9:10:14:3.5.4|
Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c(cn1Cc1ccccc1)-c1ccccc1 |TLB:3:4:22:7.13.12,17:18:22:7.13.12|
CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC1CC[C@H]2CCC[C@H](N2C1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccc(Cl)cc1)C(N)=O
CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC1S[C@H]2CCC[C@H](N2C1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccc(Cl)cc1)C(N)=O
CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@H]2SC[C@H](N2C1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccc(Cl)cc1)C(N)=O
CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@@H]2SC[C@@H](N2C1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccc(Cl)cc1)C(N)=O
[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6@@H](-[#6]-[#6]-[#6@@H]-1C([#6])([#6])[#6])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
CCO[C@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c5c(CC1N(CC1CC1)CCC235)ccc4O |TLB:23:22:3:18.19.20,17:18:3:22.28.27,THB:2:3:18.19.20:22.28.27|
[H][C@@]12Cc3ccc(O)c4O[C@@]5(CC)c6[nH]c7ccccc7c6C[C@]1(OCC)[C@@]5(CCN2CCc1ccccc1)c34 |r,TLB:31:30:23:2.3.39|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)OCC)ccc3O |r,THB:10:9:16:6.5.4|
[H][C@@]12Cc3ccc(O)c4O[C@@]5(C)c6[nH]c7ccccc7c6C[C@]1(OCCC(C)C)[C@@]5(CCN2C)c34 |r,TLB:33:32:22:2.3.34|
[H][C@@]12Cc3ccc(O)c4O[C@@]5(C)c6[nH]c7ccccc7c6C[C@]1(OC)[C@@]5(CCN2C)c34 |r,TLB:29:28:22:2.3.30|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)OC)ccc3O |r,THB:10:9:16:6.5.4|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@]5(Cc1c2n(CC=C)c2ccccc12)OCC=C)ccc3O |r,THB:10:9:16:6.5.4|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@]5(Cc1c2n(C)c2ccccc12)OC)ccc3O |r,THB:10:9:16:6.5.4|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@]5(Cc1c2n(Cc2ccccc2Cl)c2ccccc12)OCc1ccccc1Cl)ccc3O |r,THB:10:9:16:6.5.4|
[H][C@@]12Cc3ccc(O)c4O[C@@]5(C)c6[nH]c7ccccc7c6C[C@]1(OCC)[C@@]5(CCN2CC1CCC1)c34 |r,TLB:30:29:22:2.3.35|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CCC)CC[C@@]14[C@]5(Cc1c2n(C)c2ccccc12)OC)ccc3O |r,THB:10:9:16:6.5.4|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1c2oc2ccccc12)OCC)ccc3O |r,THB:10:9:17:6.5.4|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CCCCC6)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)OC)ccc3O |r,THB:10:9:20:6.5.4|
[H][C@@]12Cc3ccc(O)c4O[C@@]5(C)c6[nH]c7ccccc7c6C[C@]1(OCCC)[C@@]5(CCN2C)c34 |r,TLB:31:30:22:2.3.32|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@]5(Cc1c2oc2ccccc12)OCC)ccc3O |r,THB:10:9:16:6.5.4|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1c2n(CCC)c2ccccc12)OCCC)ccc3O |r,THB:10:9:17:6.5.4|
[H][C@@]12Cc3ccc(O)c4O[C@@]5(C)c6[nH]c7ccccc7c6C[C@]1(OCCC)[C@@]5(CCN2CC1CC1)c34 |r,TLB:31:30:22:2.3.35|
C[C@@H]1[C@@H]2C3=CC(=O)CC[C@H]3[C@H](Cc3ccc(O)cc23)N1C |wU:2.2,10.21,9.9,1.0,t:3,TLB:0:1:3.9:18.12.11,17:18:19.1:3.9,THB:20:19:3.9:18.12.11,8:9:19.1:18.12.11,13:12:19.1:3.9,(9.83,-3.2,;8.73,-4.3,;4.91,-3.04,;4.91,-1.5,;4.91,.05,;6.24,.82,;6.24,2.36,;7.57,.05,;7.57,-1.5,;6.24,-2.27,;6.45,-6.14,;4.91,-6.14,;3.58,-5.37,;2.25,-6.14,;.91,-5.37,;.91,-3.83,;-.44,-3.03,;2.25,-3.04,;3.58,-3.81,;7.89,-5.58,;8.85,-6.79,)|
C[C@@H]1[C@@H]2C3=CC(=O)CC[C@H]3[C@H](Cc3ccc(O)cc23)N1CC1CC1 |wU:2.2,10.21,9.8,1.0,t:3,TLB:0:1:3.9:18.12.11,17:18:19.1:3.9,THB:13:12:19.1:3.9,20:19:3.9:18.12.11,8:9:19.1:18.12.11,(9.83,-1.73,;8.73,-2.83,;4.91,-1.57,;4.91,-.02,;4.91,1.53,;6.24,2.3,;6.24,3.84,;7.57,1.53,;7.57,-.02,;6.24,-.79,;6.45,-4.65,;4.91,-4.65,;3.58,-3.88,;2.25,-4.65,;.91,-3.88,;.91,-2.34,;-.44,-1.55,;2.25,-1.57,;3.58,-2.34,;7.89,-4.11,;8.85,-5.3,;8.29,-6.75,;7.09,-7.7,;8.52,-8.27,)|
C1C[C@H]2[C@@H]3C4=CC=CC[C@H]4[C@H](Cc4ccccc34)N2C1 |wU:10.20,3.3,9.9,2.21,c:6,t:4,TLB:16:17:18.2:4.9,THB:13:12:18.2:4.9,19:18:4.9:17.11.12,1:2:4.9:17.11.12,8:9:18.2:17.11.12,(8.93,-5.62,;9.33,-4.14,;8.05,-3.29,;3.86,-1.71,;3.86,-.17,;3.86,1.38,;5.19,2.15,;6.53,1.38,;6.53,-.17,;5.19,-.94,;5.41,-4.81,;3.86,-4.81,;2.53,-4.04,;1.2,-4.81,;-.14,-4.04,;-.14,-2.5,;1.2,-1.71,;2.53,-2.48,;6.85,-4.26,;7.41,-5.7,)|
C[C@@H]1[C@@H]2C3=CC(Br)=CC[C@H]3[C@H](Cc3ccc(Br)cc23)N1C |wU:2.2,10.21,9.9,1.0,c:6,t:3,TLB:0:1:3.9:18.12.11,17:18:19.1:3.9,THB:20:19:3.9:18.12.11,8:9:19.1:18.12.11,13:12:19.1:3.9,(10.16,-3.34,;8.73,-3.89,;4.99,-2.64,;4.97,-1.1,;4.97,.44,;6.3,1.2,;6.3,2.74,;7.63,.44,;7.65,-1.1,;6.3,-1.87,;6.54,-5.74,;5,-5.74,;3.66,-4.97,;2.32,-5.74,;.99,-4.97,;.99,-3.43,;-.34,-2.66,;2.32,-2.66,;3.66,-3.43,;7.97,-5.23,;8.96,-6.4,)|
C[C@@H]1[C@@H]2C3=CC(Br)=CC[C@H]3[C@H](Cc3ccc(Br)cc23)N1CC1CC1 |wU:2.2,10.21,9.8,1.0,c:6,t:3,TLB:0:1:3.9:18.12.11,17:18:19.1:3.9,THB:13:12:19.1:3.9,20:19:3.9:18.12.11,8:9:19.1:18.12.11,(10.17,-1.85,;8.73,-2.41,;4.99,-1.17,;4.98,.37,;4.98,1.93,;6.31,2.7,;6.31,4.24,;7.63,1.93,;7.65,.39,;6.31,-.4,;6.54,-4.25,;5,-4.25,;3.66,-3.48,;2.32,-4.25,;.99,-3.48,;.99,-1.94,;-.34,-1.17,;2.32,-1.17,;3.66,-1.94,;7.98,-3.74,;8.96,-4.92,;8.43,-6.37,;7.26,-7.35,;8.71,-7.89,)|
COC1=CC[C@H]2[C@@H]3Cc4ccc(OC)cc4[C@H]([C@@H](C)N3C)C2=C1 |wU:16.22,6.20,5.23,17.18,c:24,t:2,TLB:9:8:19.17:21.5,20:19:21.5:15.8.7,THB:18:17:21.5:15.8.7,4:5:19.17:15.8.7,14:15:19.17:21.5,(4.9,3.17,;6.24,2.4,;6.24,.86,;7.57,.09,;7.57,-1.47,;6.24,-2.24,;6.45,-6.1,;4.91,-6.1,;3.58,-5.33,;2.25,-6.1,;.91,-5.33,;.91,-3.79,;-.44,-2.99,;-.44,-1.45,;2.25,-3.02,;3.58,-3.79,;4.91,-3.02,;8.73,-4.28,;9.83,-3.18,;7.89,-5.55,;8.85,-6.75,;4.91,-1.47,;4.91,.09,)|
[H][C@@]12Cc3ccccc3[C@@]([H])(c3ccccc13)[C@]([H])(C(C)C)N2C |TLB:4:3:22.17:11.16,12:11:22.17:8.2.3,THB:23:22:11.16:8.2.3,19:17:11.16:8.2.3,7:8:22.17:11.16|
COC1=C(OC)C=C2[C@@H](C1)[C@@H]1Cc3cc(OC)c(OC)cc3[C@@H]2[C@@H](C)N1CC1CC1 |wU:22.24,10.28,8.8,23.26,c:2,6,TLB:24:23:7.8:21.12.11,20:21:7.8:25.23,THB:9:8:25.23:21.12.11,26:25:7.8:21.12.11,13:12:7.8:25.23,(10.65,1.58,;9.32,2.35,;7.98,1.58,;6.63,2.35,;6.63,3.89,;5.3,4.66,;5.3,1.58,;5.3,.04,;6.63,-.73,;7.98,.04,;6.86,-4.6,;5.3,-4.6,;3.97,-3.83,;2.64,-4.6,;1.31,-3.83,;-.02,-4.6,;-1.35,-3.83,;1.31,-2.29,;-.02,-1.52,;-1.35,-2.29,;2.64,-1.52,;3.97,-2.29,;5.3,-1.52,;9.15,-2.78,;10.23,-1.68,;8.29,-4.04,;9.25,-5.25,;8.69,-6.68,;7.5,-7.64,;8.94,-8.2,)|
[H][C@@]1(CC(C)C)N(C)[C@]2([H])Cc3ccccc3[C@@]1([H])c1ccccc21 |TLB:15:16:6.1:19.24,THB:12:11:6.1:19.24,7:6:19.24:16.10.11,20:19:6.1:16.10.11,2:1:19.24:16.10.11|
C[C@@H]1[C@@H]2C3=CC=CC[C@H]3[C@H](Cc3ccccc23)N1C(C)=O |wU:2.2,9.19,8.7,1.0,c:5,t:3,TLB:15:16:17.1:3.8,0:1:3.8:16.10.11,THB:12:11:17.1:3.8,18:17:3.8:16.10.11,7:8:17.1:16.10.11,(9.08,-1.82,;7.66,-2.36,;3.9,-1.13,;3.9,.41,;3.9,1.96,;5.23,2.73,;6.56,1.98,;6.56,.42,;5.23,-.36,;5.46,-4.22,;3.92,-4.22,;2.57,-3.45,;1.24,-4.22,;-.09,-3.45,;-.09,-1.91,;1.24,-1.13,;2.57,-1.9,;6.89,-3.71,;7.89,-4.88,;7.36,-6.33,;9.4,-4.62,)|
C[C@@H]1[C@@H]2C3=CC(CC[C@H]3[C@H](Cc3ccc(NCc4ccccc4)cc23)N1CC1CC1)=NCc1ccccc1 |w:30.36,wU:2.2,9.28,8.7,1.0,t:3,TLB:0:1:3.8:24.11.10,23:24:25.1:3.8,THB:12:11:25.1:3.8,26:25:3.8:24.11.10,7:8:25.1:24.11.10,(11.14,-1.71,;10.05,-2.81,;6.2,-1.55,;6.2,,;6.2,1.56,;7.54,2.33,;8.88,1.56,;8.88,,;7.54,-.77,;7.76,-4.64,;6.2,-4.64,;4.87,-3.87,;3.54,-4.64,;2.21,-3.87,;2.21,-2.32,;.85,-1.53,;-.49,-2.29,;-.49,-3.83,;-1.84,-4.59,;-1.84,-6.13,;-.51,-6.9,;.83,-6.13,;.83,-4.59,;3.54,-1.55,;4.87,-2.32,;9.2,-4.09,;10.15,-5.29,;9.59,-6.73,;8.4,-7.69,;9.84,-8.25,;7.54,3.87,;6.2,4.64,;4.87,3.87,;3.55,4.64,;2.23,3.9,;2.23,2.35,;3.56,1.59,;4.87,2.36,)|
C[C@@H]1[C@@H]2C3=CC(=CC[C@H]3[C@H](Cc3ccc(cc23)N2CCN(C)CC2)N1CC1CC1)N1CCN(C)CC1 |wU:2.2,9.27,8.7,1.0,c:5,t:3,TLB:0:1:3.8:16.11.10,15:16:24.1:3.8,THB:7:8:24.1:16.11.10,25:24:3.8:16.11.10,12:11:24.1:3.8,(18.32,-10.24,;17.23,-11.34,;13.4,-10.08,;13.4,-8.52,;13.4,-6.98,;14.73,-6.21,;16.06,-6.98,;16.06,-8.52,;14.73,-9.29,;14.94,-13.17,;13.4,-13.17,;12.07,-12.4,;10.74,-13.17,;9.4,-12.4,;9.4,-10.85,;10.74,-10.08,;12.07,-10.85,;8.06,-10.06,;6.7,-10.83,;5.35,-10.04,;5.37,-8.48,;4.04,-7.7,;6.73,-7.71,;8.06,-8.5,;16.39,-12.61,;17.34,-13.81,;16.76,-15.24,;16.36,-16.73,;15.28,-15.64,;14.73,-4.67,;16.06,-3.9,;16.06,-2.36,;14.73,-1.59,;14.75,-.05,;13.4,-2.36,;13.39,-3.9,)|
[H][C@@]12Cc3ccccc3[C@@]([H])(c3ccccc13)[C@@]([H])(C)N2 |TLB:12:11:20.17:8.2.3,4:3:20.17:11.16,THB:19:17:11.16:8.2.3,7:8:20.17:11.16|
[H][C@@]1(C)N(CCO)[C@]2([H])Cc3ccccc3[C@]1([H])C1=CC=CC[C@]21[H] |c:22,t:20,TLB:14:15:3.1:18.23,THB:11:10:3.1:18.23,19:18:3.1:15.9.10,4:3:18.23:15.9.10,2:1:18.23:15.9.10|
[H][C@@]1(Cc2ccccc2)N(C)[C@]2([H])Cc3ccccc3[C@@]1([H])c1ccccc21 |TLB:18:19:9.1:22.27,THB:10:9:22.27:19.13.14,23:22:9.1:19.13.14,2:1:22.27:19.13.14,15:14:9.1:22.27|
Brc1ccc(CNc2ccc3C[C@H]4[C@@H]5CCC(C=C5[C@@H]([C@@H]5CCCN45)c3c2)=NCc2ccc(Br)cc2)cc1 |w:27.32,wU:12.25,19.19,13.18,20.26,c:17,TLB:14:13:24.20:25.10.11,26:25:24.20:18.13,THB:21:20:18.13:25.10.11,23:24:18.13:25.10.11,9:10:24.20:18.13,(-1.25,-5.22,;.08,-5.99,;.08,-7.55,;1.41,-8.31,;2.74,-7.54,;4.08,-8.31,;4.08,-9.87,;5.42,-10.64,;5.42,-12.19,;6.77,-12.96,;8.1,-12.19,;9.43,-12.96,;10.97,-12.96,;10.76,-9.08,;12.1,-8.31,;12.1,-6.77,;10.76,-5.99,;9.43,-6.77,;9.43,-8.31,;9.43,-9.87,;13.62,-11.44,;14.9,-12.28,;14.5,-13.77,;12.98,-13.85,;12.42,-12.4,;8.1,-10.64,;6.77,-9.87,;10.76,-4.45,;12.09,-3.68,;12.09,-2.14,;13.43,-1.36,;13.43,.18,;12.1,.95,;12.1,2.49,;10.76,.16,;10.76,-1.36,;2.74,-6.01,;1.41,-5.24,)|
Oc1ccc2C[C@H]3[C@@H]4CCC(=O)C=C4[C@@H]([C@@H]4CCCN34)c2c1 |wU:6.20,14.14,7.13,15.21,c:12,TLB:8:7:19.15:20.4.5,21:20:19.15:13.7,THB:16:15:13.7:20.4.5,3:4:19.15:13.7,18:19:13.7:20.4.5,(-.13,-2.89,;1.2,-3.66,;1.2,-5.2,;2.54,-5.97,;3.85,-5.2,;5.19,-5.97,;6.74,-5.97,;6.52,-2.12,;7.85,-1.35,;7.85,.2,;6.52,.97,;6.5,2.51,;5.19,.2,;5.19,-1.35,;5.19,-2.89,;9.37,-4.45,;10.65,-5.31,;10.25,-6.78,;8.71,-6.85,;8.17,-5.42,;3.85,-3.66,;2.54,-2.89,)|
[H][C@@]1(C)N(C)[C@]2([H])Cc3cc(OC)c(OC)cc3[C@]1([H])C1=CC(OC)=C(C[C@]21[H])OC |c:26,t:22,TLB:16:17:20.27:3.1,THB:4:3:20.27:17.8.7,2:1:20.27:17.8.7,21:20:3.1:17.8.7,9:8:20.27:3.1|
C[C@@H]1[C@@H]2C3=CC(OC(C)=O)=CC[C@H]3[C@H](Cc3ccc(OC(C)=O)cc23)N1CC1CC1 |wU:2.2,13.27,12.11,1.0,c:9,t:3,TLB:0:1:3.12:24.15.14,23:24:25.1:3.12,THB:16:15:25.1:3.12,26:25:3.12:24.15.14,11:12:25.1:24.15.14,(10.46,-2.45,;9.36,-3.55,;5.54,-2.29,;5.54,-.73,;5.54,.81,;6.87,1.58,;6.87,3.12,;8.2,3.9,;8.2,5.44,;9.53,3.13,;8.2,.81,;8.2,-.73,;6.87,-1.5,;7.08,-5.37,;5.54,-5.37,;4.21,-4.6,;2.88,-5.37,;1.54,-4.6,;1.54,-3.06,;.19,-2.27,;.19,-.73,;1.54,.04,;-1.14,.06,;2.88,-2.29,;4.21,-3.06,;8.52,-4.81,;9.48,-6.03,;8.92,-7.47,;7.72,-8.41,;9.15,-8.98,)|
C[C@@H]1[C@@H]2C3=CC=CC[C@H]3[C@H](Cc3ccccc23)N1Cc1ccccc1 |wU:2.2,9.19,8.7,1.0,c:5,t:3,TLB:15:16:17.1:3.8,0:1:3.8:16.10.11,THB:12:11:17.1:3.8,18:17:3.8:16.10.11,7:8:17.1:16.10.11,(9.27,-.38,;7.84,-.93,;4.09,.32,;4.08,1.86,;4.08,3.4,;5.41,4.17,;6.74,3.41,;6.75,1.86,;5.41,1.09,;5.63,-2.78,;4.09,-2.78,;2.76,-2.01,;1.42,-2.78,;.09,-2.01,;.09,-.47,;1.42,.3,;2.76,-.47,;7.08,-2.27,;8.06,-3.44,;7.54,-4.88,;8.52,-6.05,;8.01,-7.5,;6.49,-7.78,;5.49,-6.59,;6.02,-5.14,)|
FC1=CC[C@H]2[C@@H]3Cc4ccc(F)cc4[C@H]([C@@H]4CCCN34)C2=C1 |wU:5.20,14.22,4.23,15.21,c:24,t:1,TLB:16:15:20.4:13.7.6,8:7:19.15:20.4,18:19:20.4:13.7.6,THB:3:4:19.15:13.7.6,12:13:19.15:20.4,(5.72,2.88,;5.73,1.34,;7.07,.57,;7.07,-.96,;5.73,-1.73,;5.95,-5.6,;4.4,-5.6,;3.08,-4.83,;1.75,-5.6,;.4,-4.83,;.4,-3.29,;-.69,-2.19,;1.75,-2.52,;3.08,-3.29,;4.4,-2.52,;8.58,-4.09,;9.87,-4.92,;9.47,-6.41,;7.93,-6.49,;7.39,-5.04,;4.4,-.96,;4.4,.57,)|
CC(=O)OC1=CC[C@H]2[C@@H]3Cc4ccc(OC(C)=O)cc4[C@H]([C@@H]4CCCN34)C2=C1 |wU:8.26,20.28,7.29,21.27,c:30,t:4,TLB:11:10:25.21:26.7,24:25:26.7:19.10.9,22:21:26.7:19.10.9,THB:6:7:25.21:19.10.9,18:19:25.21:26.7,(6.54,5.97,;6.54,4.43,;7.87,3.66,;5.21,3.66,;5.21,2.12,;6.56,1.35,;6.56,-.19,;5.21,-.96,;5.44,-4.84,;3.88,-4.84,;2.55,-4.07,;1.22,-4.84,;-.11,-4.07,;-.11,-2.52,;-1.45,-1.75,;-1.45,-.21,;-2.79,.58,;-.12,.56,;1.22,-1.75,;2.55,-2.52,;3.88,-1.75,;8.07,-3.32,;9.36,-4.16,;8.96,-5.65,;7.43,-5.72,;6.87,-4.28,;3.88,-.19,;3.88,1.35,)|
[H][C@@]12Cc3ccccc3[C@@]([H])(c3ccccc13)[C@]([H])(CCCO)N2C |TLB:4:3:23.17:11.16,12:11:23.17:8.2.3,THB:24:23:11.16:8.2.3,19:17:11.16:8.2.3,7:8:23.17:11.16|
[H][C@@]12Cc3ccccc3[C@@]([H])(c3ccccc13)[C@]([H])(C)N2C |TLB:4:3:20.17:11.16,12:11:20.17:8.2.3,THB:21:20:11.16:8.2.3,19:17:11.16:8.2.3,7:8:20.17:11.16|
C[C@@H]1[C@@H]2C3=CC(OC(C)=O)=CC[C@H]3[C@H](Cc3ccc(OC(C)=O)cc23)N1C |wU:2.2,13.27,12.12,1.0,c:9,t:3,TLB:0:1:3.12:24.15.14,23:24:25.1:3.12,THB:16:15:25.1:3.12,26:25:3.12:24.15.14,11:12:25.1:24.15.14,(10.46,-3.93,;9.36,-5.02,;5.54,-3.76,;5.54,-2.22,;5.54,-.66,;6.87,.11,;6.87,1.65,;8.2,2.42,;8.2,3.96,;9.53,1.65,;8.2,-.66,;8.2,-2.22,;6.87,-2.99,;7.08,-6.84,;5.54,-6.84,;4.21,-6.07,;2.88,-6.84,;1.54,-6.07,;1.54,-4.53,;.19,-3.74,;.19,-2.2,;1.54,-1.45,;-1.14,-1.42,;2.88,-3.76,;4.21,-4.53,;8.52,-6.3,;9.48,-7.5,)|
COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C |r,c:9|
C[C@@H]1[C@@H]2C3=CC(CC[C@H]3[C@H](Cc3ccc(Nc4ccccc4)cc23)N1CC1CC1)=Nc1ccccc1 |w:29.35,wU:2.2,9.27,8.7,1.0,t:3,TLB:0:1:3.8:23.11.10,22:23:24.1:3.8,THB:12:11:24.1:3.8,25:24:3.8:23.11.10,7:8:24.1:23.11.10,(11.78,-2.83,;10.69,-3.93,;6.86,-2.67,;6.86,-1.13,;6.86,.42,;8.19,1.19,;9.53,.42,;9.53,-1.13,;8.19,-1.9,;8.41,-5.76,;6.86,-5.76,;5.53,-4.99,;4.2,-5.76,;2.85,-4.99,;2.85,-3.45,;1.52,-2.66,;.17,-3.41,;-1.16,-2.64,;-2.49,-3.39,;-2.5,-4.93,;-1.17,-5.72,;.17,-4.95,;4.2,-2.67,;5.53,-3.44,;9.85,-5.21,;10.8,-6.4,;10.24,-7.85,;9.05,-8.8,;10.48,-9.36,;8.19,2.73,;6.84,3.5,;6.86,5.06,;5.53,5.83,;4.18,5.06,;4.2,3.5,;5.53,2.75,)|
C[C@@H]1[C@@H]2C3=CC(CC[C@H]3[C@H](Cc3ccc(NCc4ccccc4)cc23)N1C)=NCc1ccccc1 |w:27.32,wU:2.2,9.28,8.8,1.0,t:3,TLB:0:1:3.8:24.11.10,23:24:25.1:3.8,THB:26:25:3.8:24.11.10,7:8:25.1:24.11.10,12:11:25.1:3.8,(11.14,-2.39,;10.05,-3.49,;6.2,-2.23,;6.2,-.68,;6.2,.88,;7.54,1.65,;8.88,.88,;8.88,-.68,;7.54,-1.45,;7.76,-5.32,;6.2,-5.32,;4.87,-4.54,;3.54,-5.32,;2.21,-4.54,;2.21,-3,;.85,-2.21,;-.49,-2.97,;-.49,-4.51,;-1.84,-5.27,;-1.84,-6.8,;-.51,-7.58,;.83,-6.8,;.83,-5.27,;3.54,-2.23,;4.87,-3,;9.2,-4.77,;10.16,-5.97,;7.54,3.2,;6.2,3.97,;4.87,3.2,;4.87,1.68,;3.56,.91,;2.23,1.68,;2.23,3.2,;3.55,3.97,)|
C[C@@H]1[C@@H]2C3=CC(=CC[C@H]3[C@H](Cc3ccc(cc23)N2CCN(C)CC2)N1C)N1CCN(C)CC1 |wU:2.2,9.27,8.8,1.0,c:5,t:3,TLB:15:16:24.1:3.8,0:1:3.8:16.11.10,THB:7:8:24.1:16.11.10,12:11:24.1:3.8,25:24:3.8:16.11.10,(13.17,-7.29,;12.07,-8.38,;8.24,-7.12,;8.24,-5.56,;8.24,-4.02,;9.57,-3.25,;10.9,-4.02,;10.9,-5.56,;9.57,-6.33,;9.78,-10.2,;8.24,-10.2,;6.91,-9.43,;5.58,-10.2,;4.25,-9.43,;4.25,-7.89,;5.58,-7.12,;6.91,-7.89,;2.9,-7.1,;2.9,-5.54,;1.57,-4.76,;.21,-5.51,;-1.11,-4.74,;.19,-7.08,;1.55,-7.87,;11.23,-9.64,;12.19,-10.86,;9.57,-1.71,;10.9,-.94,;10.9,.58,;9.57,1.37,;9.59,2.91,;8.24,.6,;8.24,-.94,)|
C[C@@H]1[C@@H]2C3=CC(=CC[C@H]3[C@H](Cc3ccc(cc23)N2CCOCC2)N1C)N1CCOCC1 |wU:2.2,9.26,8.8,1.0,c:5,t:3,TLB:0:1:3.8:16.11.10,15:16:23.1:3.8,THB:12:11:23.1:3.8,7:8:23.1:16.11.10,24:23:3.8:16.11.10,(11.11,-4.34,;10.03,-5.44,;6.19,-4.18,;6.19,-2.62,;6.19,-1.08,;7.52,-.31,;8.87,-1.08,;8.87,-2.62,;7.52,-3.39,;7.75,-7.26,;6.19,-7.26,;4.86,-6.49,;3.53,-7.26,;2.2,-6.49,;2.2,-4.95,;3.53,-4.18,;4.86,-4.95,;.87,-4.18,;.87,-2.64,;-.46,-1.87,;-1.8,-2.62,;-1.81,-4.16,;-.47,-4.95,;9.18,-6.7,;10.13,-7.91,;7.52,1.23,;8.87,2,;8.87,3.54,;7.54,4.31,;6.19,3.54,;6.19,2,)|
COC1=C(OC)C=C2[C@@H](C1)[C@@H]1Cc3cc(OC)c(OC)cc3[C@@H]2[C@@H](C)N1C |wU:22.24,10.28,8.7,23.26,c:2,6,TLB:24:23:7.8:21.12.11,20:21:7.8:25.23,THB:26:25:7.8:21.12.11,9:8:25.23:21.12.11,13:12:7.8:25.23,(10.65,.11,;9.32,.88,;7.98,.11,;6.63,.88,;6.63,2.42,;5.3,3.19,;5.3,.11,;5.3,-1.45,;6.63,-2.22,;7.98,-1.45,;6.86,-6.07,;5.3,-6.07,;3.97,-5.3,;2.64,-6.07,;1.31,-5.3,;-.02,-6.07,;-1.35,-5.3,;1.31,-3.76,;-.02,-2.99,;-1.35,-3.76,;2.64,-2.99,;3.97,-3.76,;5.3,-2.99,;9.15,-4.25,;10.23,-3.16,;8.29,-5.53,;9.25,-6.73,)|
C[C@@H]1[C@@H]2C3=CC=CC[C@H]3[C@H](Cc3ccccc23)N1CC1CC1 |wU:2.2,9.19,8.7,1.0,c:5,t:3,TLB:0:1:3.8:16.10.11,15:16:17.1:3.8,THB:7:8:17.1:16.10.11,12:11:17.1:3.8,18:17:3.8:16.10.11,(9.27,-1.06,;7.84,-1.61,;4.09,-.36,;4.08,1.18,;4.08,2.72,;5.41,3.49,;6.74,2.73,;6.75,1.18,;5.41,.41,;5.63,-3.46,;4.09,-3.46,;2.76,-2.69,;1.42,-3.46,;.09,-2.69,;.09,-1.14,;1.42,-.37,;2.76,-1.14,;7.08,-2.95,;8.06,-4.11,;7.54,-5.56,;6.35,-6.56,;7.8,-7.09,)|
BrC1=CC[C@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]([C@@H]4CCCN34)C2=C1 |wU:5.20,14.22,4.23,15.21,c:24,t:1,TLB:16:15:20.4:13.7.6,8:7:19.15:20.4,18:19:20.4:13.7.6,THB:3:4:19.15:13.7.6,12:13:19.15:20.4,(13.03,-1.48,;13.04,-3.02,;14.38,-3.79,;14.38,-5.33,;13.04,-6.1,;13.26,-9.97,;11.71,-9.97,;10.38,-9.2,;9.05,-9.97,;7.71,-9.2,;7.71,-7.66,;6.37,-6.89,;9.05,-6.87,;10.38,-7.64,;11.71,-6.87,;15.9,-8.45,;17.18,-9.29,;16.78,-10.76,;15.24,-10.86,;14.7,-9.41,;11.71,-5.33,;11.71,-3.79,)|
COC1=CC[C@H]2[C@@H]3Cc4ccc(OC)cc4[C@H]([C@@H]4CCCN34)C2=C1 |wU:6.22,16.24,5.25,17.23,c:26,t:2,TLB:18:17:22.5:15.8.7,9:8:21.17:22.5,20:21:22.5:15.8.7,THB:4:5:21.17:15.8.7,14:15:21.17:22.5,(9.96,-3.75,;11.28,-4.52,;11.28,-6.06,;12.63,-6.83,;12.63,-8.37,;11.28,-9.14,;11.51,-13,;9.96,-13,;8.63,-12.23,;7.3,-13,;5.96,-12.23,;5.96,-10.69,;4.62,-9.93,;3.29,-10.7,;7.3,-9.91,;8.63,-10.68,;9.96,-9.91,;14.14,-11.49,;15.42,-12.33,;15.03,-13.8,;13.49,-13.89,;12.94,-12.45,;9.96,-8.37,;9.96,-6.83,)|
C[C@@H]1[C@@H]2C3=CC(CC[C@H]3[C@H](Cc3ccc(Nc4ccccc4)cc23)N1C)=Nc1ccccc1 |w:26.31,wU:2.2,9.27,8.8,1.0,t:3,TLB:0:1:3.8:23.11.10,22:23:24.1:3.8,THB:12:11:24.1:3.8,25:24:3.8:23.11.10,7:8:24.1:23.11.10,(11.76,-4.31,;10.67,-5.4,;6.84,-4.14,;6.84,-2.59,;6.84,-1.06,;8.17,-.29,;9.51,-1.06,;9.51,-2.59,;8.17,-3.36,;8.39,-7.22,;6.84,-7.22,;5.52,-6.46,;4.19,-7.22,;2.85,-6.46,;2.85,-4.91,;1.51,-4.13,;.17,-4.87,;-1.16,-4.1,;-2.48,-4.85,;-2.49,-6.4,;-1.16,-7.18,;.17,-6.41,;4.19,-4.14,;5.52,-4.91,;9.82,-6.67,;10.78,-7.87,;8.17,1.25,;6.83,2.02,;5.52,1.26,;4.19,2.02,;4.17,3.56,;5.52,4.35,;6.84,3.58,)|
[H][C@@]12Cc3ccccc3[C@@]([H])(C3=CC=CCC13)[C@]1([H])CCCCN21 |r,wU:9.10,wD:17.20,1.0,c:14,t:12,TLB:22:23:11.16:8.2.3,7:8:23.17:11.16,THB:4:3:23.17:11.16,12:11:23.17:8.2.3,15:16:23.17:8.2.3,19:17:11.16:8.2.3,(3.03,-4.16,;3.51,-5.96,;4.65,-4.68,;5.71,-5.37,;7.19,-5.8,;8.3,-4.73,;7.92,-3.23,;6.44,-2.81,;5.34,-3.88,;3.83,-3.21,;3.92,-5.08,;3.76,-1.71,;2.95,-.4,;1.41,-.45,;.68,-1.8,;1.8,-3.42,;3.03,-3.06,;2.44,-3.99,;2.65,-2.14,;1.29,-2.97,;-.17,-3.45,;-.48,-4.96,;.67,-5.99,;2.13,-5.5,)|
COC1=CC[C@H]2[C@@H]3Cc4ccc(OC)cc4[C@H]([C@@H](C)N3CC3CC3)C2=C1 |wU:16.26,6.20,5.4,17.18,c:28,t:2,TLB:9:8:19.17:24.5,20:19:24.5:15.8.7,THB:18:17:24.5:15.8.7,4:5:19.17:15.8.7,14:15:19.17:24.5,(4.9,4.64,;6.24,3.87,;6.24,2.33,;7.57,1.56,;7.57,.02,;6.24,-.75,;6.45,-4.63,;4.91,-4.63,;3.58,-3.86,;2.25,-4.63,;.91,-3.86,;.91,-2.31,;-.44,-1.52,;-.44,.02,;2.25,-1.54,;3.58,-2.31,;4.91,-1.54,;8.73,-2.8,;9.83,-1.7,;7.89,-4.07,;8.85,-5.28,;8.29,-6.72,;7.09,-7.66,;8.52,-8.24,;4.91,.02,;4.91,1.56,)|
C[C@H]1C2C3=CC=CC[C@@H]3[C@@H](Cc3ccccc23)N1C |c:5,t:3,TLB:18:17:3.8:16.10.11,0:1:3.8:16.10.11|
C[C@@H]1[C@@H]2C3=CC=CC[C@H]3[C@H](Cc3ccccc23)N1CC=C |wU:9.19,2.2,8.8,1.0,c:5,t:3,TLB:15:16:17.1:3.8,0:1:3.8:16.10.11,THB:12:11:17.1:3.8,18:17:3.8:16.10.11,7:8:17.1:16.10.11,(9.27,-1.22,;7.84,-1.78,;4.09,-.54,;4.08,1,;4.08,2.56,;5.41,3.33,;6.74,2.56,;6.75,1.02,;5.41,.23,;5.63,-3.62,;4.09,-3.62,;2.76,-2.85,;1.42,-3.62,;.09,-2.85,;.09,-1.31,;1.42,-.54,;2.76,-1.31,;7.08,-3.11,;8.06,-4.29,;7.54,-5.74,;8.52,-6.91,)|
[H][C@@]1(C)N(CO)[C@]2([H])Cc3ccccc3[C@]1([H])C1=CC=CC[C@]21[H] |c:21,t:19,TLB:13:14:3.1:17.22,THB:10:9:3.1:17.22,18:17:3.1:14.8.9,4:3:17.22:14.8.9,2:1:17.22:14.8.9|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](-[#7])=O
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#7])=O
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(O)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#7])=O
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O
[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O
COCC[C@H]1CC2CN3CCc4c([nH]c5ccccc45)[C@](C2)(C13)C(=O)OC |TLB:13:12:22:21.7.6,3:4:20.21:8.7,23:20:8.7:4.5,19:11:22:21.7.6,4:22:21.7.6:12.11.10.9,9:8:20.21:4.5,THB:12:20:8.7:4.5,5:6:22:12.11.10.9|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(NC(N)=N)cc12)ccc3O |THB:10:9:17:4.5.6|
CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)CN(C)C
CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC[C@H]1Cc2ccc(O)cc2CN1
CC(C)[C@@H](CN1CC[C@@](C)([C@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1
CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@@H](N)Cc1ccc(O)cc1
CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C(C)=O
COc1ccc2CC3N(C)CC[C@@]4([C@@H]5\C(C[C@]34Cc3c5[nH]c4ccccc34)=C(/C)c3ccccc3)c2c1O |TLB:36:35:16:8.11.10,4:5:16:8.11.10|
CN1CC[C@]23c4c5O[C@@]2(C)c2[nH]c6ccccc6c2C[C@@]3(CC=C(C)C)C1Cc4ccc5O |wU:20.24,8.9,wD:4.4,TLB:29:28:20:1.3.2,6:5:20:1.3.2,(9.18,1.42,;7.96,.48,;6.47,.09,;6.12,-2.18,;6.89,-3.51,;5.37,-3.34,;4.44,-4.57,;5.89,-5.72,;7.52,-4.93,;7.51,-6.47,;9.05,-5.09,;9.95,-6.35,;11.42,-5.86,;12.75,-6.65,;14.09,-5.88,;14.09,-4.32,;12.76,-3.55,;11.43,-4.32,;9.96,-3.85,;9.34,-2.43,;7.82,-2.27,;8.9,-1.17,;10.39,-1.55,;11.46,-.45,;12.96,-.85,;11.06,1.03,;7.21,-.86,;5.68,-.68,;4.76,-1.92,;3.23,-1.75,;2.31,-2.99,;2.92,-4.39,;2.01,-5.63,)|
COc1ccc2CC3N(C)CC[C@@]4([C@@H]5\C(C[C@]34Cc3c5[nH]c4ccccc34)=C\C)c2c1O |TLB:30:29:16:8.11.10,4:5:16:8.11.10|
COc1ccc2CC3N(C)CC[C@@]4([C@@H]5C(C[C@]34Cc3c5[nH]c4ccccc34)=C(C)C)c2c1O |wU:16.15,wD:13.21,12.34,TLB:31:30:16:8.11.10,4:5:16:8.11.10,(4.88,-6.62,;4.27,-5.21,;5.18,-3.97,;4.56,-2.57,;5.49,-1.33,;7,-1.5,;7.93,-.26,;9.45,-.44,;10.22,.9,;11.44,1.83,;8.73,.51,;8.37,-1.76,;9.15,-3.09,;9.77,-4.51,;12.49,-1.52,;11.16,-.75,;10.06,-1.85,;11.6,-2.01,;12.21,-3.43,;11.3,-4.67,;12.21,-5.91,;13.67,-5.44,;15,-6.21,;16.33,-5.44,;16.33,-3.89,;15,-3.13,;13.67,-3.9,;14,-1.28,;14.56,.16,;14.96,-2.48,;7.61,-2.92,;6.7,-4.15,;7.31,-5.56,)|
COc1ccc2CC3N(C)CC[C@@]4([C@@H]5\C(C[C@]34CCC5=O)=C\c3ccccc3)c2c1O |TLB:4:5:16:8.11.10,29:28:16:8.11.10,THB:21:14:12:17.19.18|
COc1ccc2CC3N(C)CC[C@@]4([C@@H]5\C(C[C@]34Cc3c5[nH]c4ccccc34)=C\c3ccccc3)c2c1O |TLB:35:34:16:8.11.10,4:5:16:8.11.10|
CN1CC[C@]23c4c5O[C@@]2(C)c2[nH]c6ccccc6c2C[C@@]3(C\C=C\c2ccccc2)C1Cc4ccc5O |TLB:33:32:20:1.3.2,6:5:20:1.3.2|
COc1ccc2CC3N(C)CC[C@@]4([C@@H]5\C(C[C@]34CCC5=O)=C(/C)c3ccccc3)c2c1O |TLB:4:5:16:8.11.10,30:29:16:8.11.10,THB:21:14:12:19.17.18|
CN1[C@H](CCNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |r,t:15|
CN1C(CCNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |t:15|
CN1[C@H](CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2ccccc12 |r,t:15|
CN1[C@H](CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |r,t:15|
CN1[C@@H](CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |r,t:15|
CN1[C@@H](CCNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |r,t:15|
CN1[C@@H](CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2ccccc12 |r,t:15|
CCCCCNC(=N)Cc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:17:18:30:22.28.27,36:19:30:22.28.27|
CCCCCCCNC(=O)c1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:18:19:31:23.29.28,37:20:31:23.29.28|
CCC(=O)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:15:16:28:20.26.25,34:17:28:20.26.25|
Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(cc2c1C[C@@]35O)C(=O)NCc1ccccc1 |TLB:17:18:29:7.13.12,3:4:29:7.13.12|
CCCCCCNC(=O)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:20:21:33:25.31.30,39:22:33:25.31.30|
COc1ccc(CNC(=O)c2ccc3[nH]c4[C@@H]5Oc6c7c(CC8N(CC9CC9)CC[C@@]57[C@@]8(O)Cc4c3c2)ccc6O)cc1 |TLB:18:19:31:23.29.28,37:20:31:23.29.28|
Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(cc2c1C[C@@]35O)C(=O)NCCc1ccccc1 |TLB:17:18:29:7.13.12,3:4:29:7.13.12|
CCNC(=O)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:16:17:29:21.27.26,35:18:29:21.27.26|
CCCCCCCNC(=N)Cc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:19:20:32:24.30.29,38:21:32:24.30.29|
CCCCC(=N)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:17:18:30:22.28.27,36:19:30:22.28.27|
CCCCNC(=O)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:18:19:31:23.29.28,37:20:31:23.29.28|
Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(cc2c1C[C@@]35O)C(=O)NCCCCc1ccccc1 |TLB:17:18:29:7.13.12,3:4:29:7.13.12|
CCCCC(=O)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:17:18:30:22.28.27,36:19:30:22.28.27|
CCC(=N)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:15:16:28:20.26.25,34:17:28:20.26.25|
CCCC(=O)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:16:17:29:21.27.26,35:18:29:21.27.26|
CCCNC(=N)Cc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:15:16:28:20.26.25,34:17:28:20.26.25|
CC(C)CC(=N)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:17:18:30:22.28.27,36:19:30:22.28.27|
CCCC(=N)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:16:17:29:21.27.26,35:18:29:21.27.26|
CC(=N)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:14:15:27:19.25.24,33:16:27:19.25.24|
CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
NC(NCc1ccc(O)cc1)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |w:11.12,TLB:20:21:33:25.31.30,39:22:33:25.31.30|
Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(NC(NCC4CC4)=NCc4ccccc4)cc2c1C[C@@]35O |w:32.37,TLB:17:18:44:7.13.12,3:4:44:7.13.12|
Nc1ccc(CNC(=N)NCCc2ccc3[nH]c4[C@@H]5Oc6c7c(CC8N(CC9CC9)CC[C@@]57[C@@]8(O)Cc4c3c2)ccc6O)cc1 |TLB:20:21:33:25.31.30,39:22:33:25.31.30|
CCCNC(NCC1CC1)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |w:10.11,TLB:19:20:32:24.30.29,38:21:32:24.30.29|
CCCCNC(NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O)=NCCCC |w:40.48,TLB:17:18:30:22.28.27,36:19:30:22.28.27|
NC(NCc1cccc(O)c1)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |w:11.12,TLB:20:21:33:25.31.30,39:22:33:25.31.30|
Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(CCNC(=N)NCc4ccc(Cl)cc4)cc2c1C[C@@]35O |TLB:17:18:43:7.13.12,3:4:43:7.13.12|
Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(CCNC(=N)NCc4ccccc4)cc2c1C[C@@]35O |TLB:17:18:42:7.13.12,3:4:42:7.13.12|
N\C([N-]Cc1ccc(cc1)[N+]([O-])=O)=[NH+]/c1ccc2[nH]c3C4Oc5c6c(CC7N(CC8CC8)CCC46C7(O)Cc3c2c1)ccc5O |THB:36:35:23.24.25:27.33.32,28:27:35:23.24.25,22:23:35:27.33.32|
NC(NCc1ccccc1)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |w:10.11,TLB:19:20:32:24.30.29,38:21:32:24.30.29|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(CNC(N)=N)cc12)ccc3O |THB:10:9:17:4.5.6|
Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2ccc(CC[N-]C(=[NH2+])NCc4ccc(cc4)[N+]([O-])=O)cc2c1CC35O |TLB:46:45:18.4.5:7.13.12,THB:8:7:45:18.4.5,17:18:45:7.13.12|
NC(NCc1ccc(N)cc1)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |w:11.12,TLB:20:21:33:25.31.30,39:22:33:25.31.30|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(CCNC(N)=N)cc12)ccc3O |THB:10:9:17:4.5.6|
CCCCNC(NCCCC)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |wU:33.37,wD:32.34,18.18,TLB:20:21:33:25.31.30,39:22:33:25.31.30,(11.8,-7.29,;11.85,-5.76,;10.54,-4.94,;10.59,-3.4,;9.28,-2.59,;9.35,-1.06,;10.7,-.33,;12.01,-1.14,;13.36,-.4,;14.67,-1.24,;16.02,-.51,;8.04,-.24,;6.81,-1.17,;7.01,-2.71,;5.79,-3.64,;4.37,-3.04,;2.98,-3.71,;1.92,-2.57,;.37,-2.59,;-1.14,-3.45,;-2.7,-2.68,;-1.95,-1.33,;-2.77,-.01,;-2.03,1.34,;-.48,1.39,;.26,2.74,;1.24,3.91,;.72,5.35,;1.01,6.87,;-.43,6.35,;-1.13,1.88,;-1.2,.05,;-.42,-1.29,;.33,.07,;1.41,1.17,;1.87,.11,;2.66,-1.22,;4.18,-1.51,;5.39,-.58,;-4.29,-.05,;-5.03,-1.41,;-4.23,-2.71,;-4.98,-4.06,)|
NC(NCc1ccc(Cl)cc1)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |w:11.12,TLB:20:21:33:25.31.30,39:22:33:25.31.30|
CCCNC(NCCC)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |wU:31.35,wD:30.32,16.16,TLB:18:19:31:23.29.28,37:20:31:23.29.28,(7.91,-5,;6.6,-4.18,;6.65,-2.66,;5.34,-1.84,;5.4,-.29,;6.75,.42,;8.06,-.38,;9.41,.34,;10.72,-.47,;4.09,.51,;2.85,-.4,;3.06,-1.96,;1.83,-2.88,;.42,-2.29,;-.97,-2.95,;-2.03,-1.83,;-3.59,-1.85,;-5.1,-2.69,;-6.65,-1.92,;-5.92,-.57,;-6.72,.75,;-5.99,2.1,;-4.45,2.14,;-3.7,3.49,;-2.72,4.67,;-3.24,6.11,;-2.96,7.63,;-4.4,7.11,;-5.09,2.63,;-5.16,.81,;-4.38,-.54,;-3.63,.83,;-2.54,1.93,;-2.09,.86,;-1.3,-.47,;.23,-.75,;1.45,.18,;-8.25,.72,;-9,-.65,;-8.2,-1.97,;-8.94,-3.31,)|
Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1
Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@@H](O)[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1
Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@@H](O)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1
Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@@H](O)[C@H](Cc1ccccc1)C(=O)NCCc1ccccc1
Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1
Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)O[C@@H](Cc1ccccc1)C(N)=O
Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)OCCc1ccccc1
Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)O[C@H](CO)Cc1ccccc1
Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@H](O)C\C=C\[C@@H](O)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccccc1
Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@H](O)C\C=C\[C@@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
[H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NC(=O)CCCCCC)ccc3O |TLB:9:8:13:4.5.6|
[H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCCCC)ccc3O |THB:9:8:13:4.5.6|
[H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCCCc1ccccc1)ccc3O |THB:9:8:13:4.5.6|
[H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@@]5(N)Cc1c2[nH]c2ccccc12)ccc3O |THB:9:8:13:4.5.6|
[H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NC(=O)CCc1ccccc1)ccc3O |TLB:9:8:13:4.5.6|
[H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCCc1ccccc1)ccc3O |THB:9:8:13:4.5.6|
[H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCC)ccc3O |THB:9:8:13:4.5.6|
[H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@@]5(CCCc1ccccc1)Cc1c2[nH]c2ccccc12)ccc3O |TLB:9:8:13:4.5.6|
[H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NC(=O)CCCC)ccc3O |TLB:9:8:13:4.5.6|
[H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NC(=O)Cc1ccccc1)ccc3O |TLB:9:8:13:4.5.6|
CC1CN(CCCc2ccccc2)C2C[C@H](CC1(C2)c1cccc(O)c1)NC(=O)C1(CCCC1)c1ccccc1
CC1CN(CCCc2ccccc2)C2C[C@@H](CC1(C2)c1cccc(O)c1)NC(=O)C1(CCCC1)c1ccccc1
CC1CN(CCCc2ccccc2)C2CC(CC1(C2)c1cccc(O)c1)NC(=O)C1(CCCC1)c1ccccc1
CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@H]3Cc1cc(cnc41)-c1ccc(Cl)cc1Cl)ccc5O |TLB:28:9:12:1.3.2|
CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@H]3Cc1cccnc41)ccc5O |TLB:20:9:12:1.3.2|
CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@H]3Cc1cc(cnc41)-c1ccc(Cl)cc1)ccc5O |TLB:27:9:12:1.3.2|
CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1cc(cnc41)-c1ccc(Cl)cc1)ccc5O |TLB:28:9:12:1.3.2|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1ncc(cc1C[C@@]35O)-c1ccc(Cl)cc1
Oc1ccc2CC3[C@@H]4Cc5cc(cnc5[C@@H]5Oc1c2[C@]45CCN3CC1CC1)-c1ccc(Cl)cc1 |THB:3:4:7:22.20.21|
CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@H]3Cc1cc(cnc41)-c1ccccc1)ccc5O |TLB:26:9:12:1.3.2|
CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1cccnc41)ccc5O |TLB:21:9:12:1.3.2|
CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@H]3Cc1cc(cnc41)-c1ccc(Cl)c(Cl)c1)ccc5O |TLB:28:9:12:1.3.2|
CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1cc(cnc41)-c1ccccc1)ccc5O |TLB:27:9:12:1.3.2|
CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@H]3Cc1cc(cnc41)-c1ccc(Br)cc1)ccc5O |TLB:27:9:12:1.3.2|
Nc1nc2cc3c(C[C@@H]4C5CCCC[C@]35CCN4CC3CCC3)cc2s1 |THB:10:9:5.6.7:17.15.16|
Oc1ccc2C(=O)[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1 |TLB:9:8:5.22.4:16.14.15|
CN1CC[C@]23CCCCC2[C@H]1Cc1cc2sc(N)nc2cc31 |TLB:8:9:21.12.11:1.3.2|
C[C@H]1[C@H]2Cc3cc4sc(N)nc4cc3[C@]1(C)CCN2CC1CCC1 |TLB:19:18:1:13.4.3|
Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1 |TLB:8:7:20.4.5:15.13.14|
C[C@H]1C2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1 |THB:0:1:10.4.3:15.13.14|
Nc1nc2cc3c(C[C@@H]4C5CCCC[C@]35CCN4CC3CC3)cc2s1 |THB:10:9:5.6.7:17.15.16|
Nc1nc2cc3c(cc2s1)C(=O)[C@@H]1C2CCCC[C@]32CCN1CC1CCC1 |THB:14:13:6.5.10:21.19.20|
CN1CC[C@@]23C4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)cc1sc(N)nc51
C[C@H]1[C@H]2Cc3cc4sc(N)nc4cc3[C@]1(C)CCN2CC1CC1 |TLB:19:18:1:13.4.3|
O=S1(=O)Nc2ccccc2N1C1CCN(CC1)C1CCC2CCCCC2C1
O=S1(=O)NCc2ccccc2N1C1CCN(CC1)C1Cc2ccccc2C1
CCCC1CCC(CC1)N1CCC(CC1)N1c2ccccc2CNS1(=O)=O |(9.9,-1.55,;8.44,-1.05,;7.29,-2.09,;5.82,-1.6,;4.68,-2.62,;3.22,-2.13,;2.92,-.62,;4.05,.4,;5.52,-.09,;1.46,-.14,;.31,-1.18,;-1.14,-.68,;-1.45,.82,;-.32,1.84,;1.15,1.35,;-2.91,1.28,;-3.89,.09,;-3.36,-1.34,;-4.31,-2.53,;-5.86,-2.27,;-6.39,-.85,;-5.41,.35,;-5.97,1.8,;-4.99,2.99,;-3.45,2.73,;-1.93,2.87,;-3.59,4.27,)|
O=S1(=O)NCc2ccccc2N1C1CCN(CC1)C1CCc2ccccc2C1
CC(C)CCC(C)N1CCC(CC1)N1c2ccccc2CNS1(=O)=O
CCCC1CCC(CC1)N1CCC(CC1)N1c2ccccc2NS1(=O)=O |(9.58,-2.84,;8.2,-2.19,;6.93,-3.08,;5.55,-2.4,;4.26,-3.31,;2.86,-2.63,;2.74,-1.08,;4,-.17,;5.42,-.86,;1.32,-.4,;.05,-1.29,;-1.34,-.61,;-1.46,.92,;-.19,1.79,;1.21,1.13,;-2.84,1.57,;-4.13,.77,;-4.39,-.74,;-5.83,-1.26,;-7.01,-.26,;-6.74,1.23,;-5.3,1.76,;-4.73,3.18,;-3.18,3.06,;-1.69,3.34,;-3.48,4.55,)|
O=S1(=O)NCc2ccccc2N1C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1
CC(C)CCC(C)N1CCC(CC1)N1c2ccccc2NS1(=O)=O
O=S1(=O)Nc2ccccc2N1C1CCN(CC1)C1Cc2ccccc2C1
CC(C)C1CCC(CC1)N1CCC(CC1)N1c2ccccc2NS1(=O)=O |(7.16,-4.52,;7.03,-3.01,;8.3,-2.12,;5.65,-2.33,;4.36,-3.23,;2.95,-2.57,;2.84,-1.01,;4.1,-.12,;5.52,-.8,;1.42,-.33,;.15,-1.22,;-1.23,-.54,;-1.36,.99,;-.09,1.86,;1.3,1.2,;-2.74,1.64,;-4.02,.83,;-4.3,-.68,;-5.73,-1.19,;-6.92,-.19,;-6.65,1.3,;-5.21,1.83,;-4.62,3.25,;-3.09,3.13,;-1.6,3.41,;-3.39,4.62,)|
CC(C)C1CCC(CC1)N1CCC(CC1)N1c2ccccc2CN(CCO)S1(=O)=O |(1.33,-9.05,;-.02,-8.29,;-1.35,-9.08,;-.04,-6.75,;-1.38,-5.98,;-1.38,-4.43,;-.04,-3.66,;1.31,-4.43,;1.31,-5.98,;-.04,-2.12,;-1.39,-1.4,;-1.42,.16,;-.11,.96,;1.24,.21,;1.27,-1.33,;-.14,2.49,;-1.49,3.2,;-2.79,2.4,;-4.13,3.14,;-4.17,4.68,;-2.86,5.48,;-1.52,4.74,;-.23,5.53,;1.12,4.82,;2.43,5.6,;3.78,4.87,;5.09,5.69,;1.17,3.28,;2.64,3.69,;1.56,1.8,)|
O=S1(=O)NCc2ccccc2N1C1CCN(CC1)C1CCCCCCC1
O=S1(=O)NCc2ccccc2N1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1
O=S1(=O)Nc2ccccc2N1C1CCN(CC1)C1CCc2ccccc2C1
O=S1(=O)NCc2ccccc2N1C1CCN(CC1)C1CCC2CCCCC2C1
CC(C)C1CCC(CC1)N1CCC(CC1)N1c2ccccc2CNS1(=O)=O |(7.68,-3.52,;7.37,-2.01,;8.54,-.99,;5.92,-1.52,;4.78,-2.53,;3.31,-2.06,;3,-.55,;4.15,.48,;5.61,-.01,;1.55,-.05,;1.24,1.44,;-.23,1.92,;-1.37,.89,;-1.05,-.62,;.41,-1.1,;-2.82,1.37,;-3.81,.18,;-3.27,-1.27,;-4.23,-2.46,;-5.77,-2.21,;-6.31,-.77,;-5.35,.44,;-5.89,1.87,;-4.9,3.06,;-3.37,2.81,;-1.84,2.96,;-3.52,4.37,)|
O=S1(=O)Nc2ccccc2N1C1CCN(Cc2ccc(cc2)-c2ccccc2)CC1
CC(C)C1CCC(CC1)N1CCC(CC1)N1c2ccccc2CN(CC#N)S1(=O)=O |(1.34,-9.03,;-.02,-8.25,;-1.35,-9.05,;-.04,-6.71,;-1.37,-5.95,;-1.37,-4.4,;-.04,-3.62,;1.29,-4.4,;1.29,-5.95,;-.04,-2.07,;-1.39,-1.36,;-1.43,.21,;-.11,1.01,;1.25,.27,;1.27,-1.29,;-.14,2.55,;-1.49,3.27,;-2.8,2.46,;-4.13,3.2,;-4.18,4.75,;-2.87,5.54,;-1.51,4.79,;-.23,5.6,;1.13,4.86,;2.44,5.67,;3.8,4.95,;5.14,4.19,;1.17,3.34,;2.65,3.74,;1.57,1.85,)|
O=S1(=O)NCc2ccccc2N1C1CCN(Cc2ccc(cc2)-c2ccccc2)CC1
CC(C)C1CCC(CC1)N1CCC(CC1)N1c2ccccc2CN(CCNS(C)(=O)=O)S1(=O)=O |(.52,-9.66,;-.82,-8.88,;-2.15,-9.66,;-.84,-7.34,;.49,-6.56,;.49,-5.02,;-.84,-4.25,;-2.18,-5.02,;-2.18,-6.56,;-.84,-2.69,;-2.2,-1.98,;-2.23,-.41,;-.91,.39,;.44,-.35,;.48,-1.91,;-.94,1.94,;-2.29,2.65,;-3.6,1.84,;-4.94,2.59,;-4.99,4.14,;-3.69,4.93,;-2.32,4.18,;-1.02,4.99,;.34,4.26,;1.65,5.07,;3,4.33,;4.31,5.12,;5.67,4.4,;7.03,3.67,;6.78,5.47,;4.57,3.3,;.37,2.74,;1.86,3.13,;.77,1.24,)|
O=S1(=O)Nc2ccccc2N1C1CCN(CC1)C1CCCCCCC1
O=S1(=O)Nc2ccccc2N1C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1
O=S1(=O)Nc2ccccc2N1C1CCN(Cc2ccc3ccccc3c2)CC1
O=S1(=O)NCc2ccccc2N1C1CCN(Cc2ccc3ccccc3c2)CC1
CC(C)C1CCC(CC1)N1CCC(CC1)N1c2ccccc2CN(CC(=O)OC(C)(C)C)S1(=O)=O |(-2.24,-9.73,;-.9,-8.94,;.44,-9.71,;-.93,-7.4,;-2.26,-6.62,;-2.26,-5.08,;-.93,-4.31,;.41,-5.08,;.41,-6.62,;-.94,-2.77,;-2.28,-2.04,;-2.31,-.48,;-1,.32,;.36,-.43,;.38,-1.97,;-1.02,1.86,;-2.38,2.56,;-3.69,1.77,;-5.02,2.52,;-5.07,4.06,;-3.76,4.86,;-2.4,4.11,;-1.11,4.9,;.24,4.18,;1.55,4.98,;2.91,4.25,;2.95,2.7,;4.22,5.04,;5.57,4.32,;4.85,2.96,;6.91,3.55,;6.34,5.65,;.29,2.66,;1.76,3.06,;.68,1.16,)|
COC(=O)CN1Cc2ccccc2N(C2CCN(CC2)C2CCC(CC2)C(C)C)S1(=O)=O |(6.13,4.69,;4.78,5.41,;3.47,4.62,;3.51,3.08,;2.11,5.35,;.8,4.55,;-.55,5.3,;-1.84,4.48,;-3.19,5.23,;-4.5,4.43,;-4.46,2.89,;-3.12,2.14,;-1.82,2.94,;-.46,2.24,;-.44,.69,;-1.74,-.1,;-1.72,-1.67,;-.37,-2.38,;.94,-1.6,;.92,-.05,;-.37,-3.93,;-1.7,-4.71,;-1.7,-6.25,;-.37,-7.02,;.97,-6.25,;.97,-4.71,;-.34,-8.56,;-1.67,-9.35,;1.01,-9.33,;.85,3.03,;2.32,3.43,;1.25,1.53,)|
O=S1(=O)Nc2ccccc2N1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1
CC(C)C1CCC(CC1)N1CCC(CC1)N1c2ccccc2CN(CC(N)=O)S1(=O)=O |(-1.46,-9.19,;-.14,-8.41,;1.2,-9.18,;-.16,-6.87,;-1.5,-6.08,;-1.5,-4.56,;-.16,-3.77,;1.17,-4.56,;1.17,-6.08,;-.16,-2.23,;-1.51,-1.52,;-1.54,.05,;-.23,.84,;1.12,.11,;1.15,-1.45,;-.27,2.4,;-1.61,3.1,;-2.92,2.29,;-4.25,3.04,;-4.3,4.6,;-2.99,5.39,;-1.64,4.64,;-.34,5.44,;1,4.71,;2.31,5.51,;3.67,4.77,;4.98,5.58,;3.7,3.22,;1.04,3.18,;2.53,3.59,;1.45,1.68,)|
CCCCN1Cc2ccccc2N(C2CCN(CC2)C2CCC(CC2)C(C)C)S1(=O)=O |(6.25,4.77,;4.89,5.53,;3.59,4.72,;2.23,5.45,;.92,4.65,;-.44,5.38,;-1.72,4.6,;-3.08,5.33,;-4.39,4.54,;-4.34,2.99,;-3.01,2.24,;-1.7,3.04,;-.34,2.34,;-.32,.8,;-1.63,,;-1.61,-1.57,;-.25,-2.29,;1.06,-1.5,;1.04,.05,;-.25,-3.83,;1.08,-4.61,;1.08,-6.15,;-.25,-6.92,;-1.58,-6.15,;-1.58,-4.61,;-.23,-8.46,;1.13,-9.24,;-1.56,-9.26,;.97,3.13,;2.44,3.55,;1.36,1.64,)|
COc1c(ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c12)C(N)=O
NC(=O)c1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1O
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1O
NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1O
CO[C@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1NC\C=C\c1ccccc1
CN(C\C=C\c1ccccc1)C1CCc2ccc(O)cc2C1(C)C
CC1(C)C(CCc2ccc(O)cc12)N(CC1CC1)CC1CC1
CC1(C)C(CCc2ccc(O)cc12)N(C\C=C\c1ccccc1)C\C=C\c1ccccc1
CO[C@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N
CC1(C)C(CCc2ccc(O)cc12)NC\C=C\c1ccccc1
CC1(C)C(CCc2ccc(O)cc12)N(CC=C)CC=C
CN(CC1CC1)C1CCc2ccc(O)cc2C1(C)C
CN(C)C1CCc2ccc(O)cc2C1(C)C
CN(CC=C)C1CCc2ccc(O)cc2C1(C)C
CCCN(C)C1CCc2ccc(O)cc2C1(C)C
CC1(C)C(CCc2ccc(O)cc12)NCC1CC1
CC1(C)C(CCc2ccc(O)cc12)NCC=C
CCCNC1CCc2ccc(O)cc2C1(C)C
CCCN(CCC)C1CCc2ccc(O)cc2C1(C)C
O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC#C)c2c1)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC#C)c2c1
O=C(CCCCCCCCC(=O)Oc1ccc2C[C@H]3C4CCCC[C@@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1
O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)Nc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1
O=C(Nc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)\C=C\C(=O)Nc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1
O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3C[C@@H]3CCCO3)c2c1)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3C[C@@H]3CCCO3)c2c1
O=C(CCCCCCCCC(=O)Nc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)Nc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1
O=C(CCCCCCCCC(=O)Oc1ccc2C[C@H]3C4CCCC[C@@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@H]3C4CCCC[C@@]4(CCN3CC3CCC3)c2c1
O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccccc1 |TLB:28:27:33.16.17:19|
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1 |c:16|
Oc1ccc2C[C@H]3C4CCCC[C@@]4(CCN3CC3CC3)c2c1
Oc1ccc2C[C@H]3C4CCCC[C@@]4(CCN3CC3CCC3)c2c1
O=C(CCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1
OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1
O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1
O=C(Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)\C=C\C=C\C(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1
CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)N(C)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@@H](Cc1cn(C(C)=O)c2ccccc12)C(O)=O
CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(O)=O
CCCC[C@H](N(C)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(O)=O
CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(O)=O
CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@@H](Cc1cn(C(C)=O)c2ccccc12)C(O)=O
CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1cn(C(=O)OC2C3CC4CC(C3)CC2C4)c2ccccc12)C(O)=O |wU:61.63,16.24,26.26,4.4,wD:8.12,41.43,46.47,TLB:68:69:71.78.72:76.74.75,78:77:75:71.72.73,THB:68:69:75:71.72.73,78:72:69.77.76:75,73:72:69:76.74.75,73:74:69:71.78.72,(22.46,-1.18,;21.14,-1.97,;21.15,-3.51,;19.82,-4.28,;19.82,-5.82,;18.49,-6.58,;17.15,-5.81,;17.15,-4.28,;15.82,-6.58,;15.82,-8.12,;17.15,-8.89,;18.48,-8.12,;17.15,-10.44,;14.49,-5.81,;13.15,-6.58,;13.15,-8.12,;11.82,-5.81,;11.82,-4.28,;13.15,-3.5,;14.49,-4.27,;15.82,-3.51,;15.82,-1.97,;14.5,-1.19,;13.16,-1.96,;10.49,-6.58,;9.17,-5.81,;7.82,-6.58,;7.82,-8.13,;6.49,-8.9,;5.15,-8.13,;3.82,-8.9,;3.82,-10.45,;5.15,-11.22,;6.49,-10.45,;6.49,-5.82,;6.48,-4.27,;5.15,-6.59,;3.81,-5.82,;2.47,-6.59,;2.47,-8.13,;1.13,-5.82,;-.2,-6.59,;-.2,-8.13,;-1.54,-5.82,;-1.54,-4.27,;-2.88,-6.59,;-4.22,-5.82,;-4.22,-4.27,;-5.55,-3.5,;-6.89,-4.27,;-8.23,-3.5,;-8.23,-1.96,;-9.57,-1.19,;-6.89,-1.19,;-5.55,-1.96,;-5.55,-6.59,;-6.89,-5.82,;-5.55,-8.14,;21.15,-6.59,;21.15,-8.13,;22.48,-5.82,;23.82,-6.59,;23.82,-8.14,;25.15,-8.91,;26.56,-8.28,;27.58,-9.43,;29.12,-9.27,;29.75,-7.87,;30.02,-10.52,;31.55,-10.36,;32.75,-9.08,;34.07,-9.57,;35.47,-9.23,;35.48,-7.7,;34.09,-7.12,;32.74,-7.6,;33.05,-8.35,;33.05,-9.94,;34.46,-10.51,;26.81,-10.76,;27.29,-12.23,;26.26,-13.37,;24.75,-13.04,;24.27,-11.58,;25.31,-10.44,;25.15,-5.83,;26.49,-6.6,;25.15,-4.28,)|
CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O
CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1cn(C(=O)OC23CC4CC(CC(C4)C2)C3)c2ccccc12)C(O)=O |TLB:72:73:70.71.76:77,THB:72:71:77:78.73.74,74:73:70:76.75.77,74:75:70:78.72.73|
CCCC[C@H](N(C(=O)Nc1ccccc1Cl)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)N(C)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@@H](Cc1cn(C(C)=O)c2ccccc12)C(O)=O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN(Cc2nc3ccccc3[nH]2)C1=O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NCc1ccccc1 |r|
C[C@@H](CN1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NCc1nc2ccccc2[nH]1)Cc1c(C)cc(O)cc1C |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)Nc1ccccc1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)Nc2ccccc2)C1=O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)NCc2ccccc2)C1=O |r|
CN1CCN(CC1)c1nnc(-c2ccc(cc2)C(C)(C)C)n1-c1cccc(O)c1
CN(C)c1nnc(-c2ccc3ccccc3c2)n1-c1cccc(O)c1
CN(C)c1nnc(-c2cccc(c2)C(C)(C)C)n1-c1cccc(O)c1
CC(C)(C)c1ccc(cc1)-c1nncn1-c1cccc(O)c1
COc1cccc(c1)-n1cnnc1-c1cccc(c1)C(C)(C)C
CN(C)c1nnc(-c2ccc(cc2)C(C)(C)C)n1-c1cccc(O)c1
CN(C)c1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1cccc(O)c1
Oc1cccc(c1)-n1cnnc1-c1cccc(c1)-c1ccccc1
CN(C)c1nnc(-c2cccc(c2)-c2ccccc2)n1-c1cccc(O)c1
Oc1cccc(c1)-n1cnnc1-c1ccc(cc1)-c1ccccc1
CN(C)CCc1nnc(-c2ccc(cc2)C(C)(C)C)n1-c1cccc(O)c1
CN(C)c1nnc(-c2ccc(cc2)C(C)(C)C)n1-c1ccc(O)cc1
CC(C)(C)c1cccc(c1)-c1nncn1-c1cccc(O)c1
CN(C)Cc1nnc(-c2cccc(c2)C(C)(C)C)n1-c1cccc(O)c1
COc1cccc(c1)-n1c(nnc1-c1ccc(cc1)C(C)(C)C)N(C)C
CN(C)Cc1nnc(-c2ccc(cc2)C(C)(C)C)n1-c1cccc(O)c1
Oc1cccc(c1)-n1cnnc1-c1ccc2ccccc2c1
COc1cccc(c1)-n1cnnc1-c1ccc(cc1)C(C)(C)C
CC(=O)Oc1ccc2C[C@@H]3[C@@H]4C=C[C@H](OS([O-])(=O)=O)[C@@H]5Oc1c2[C@]45CC[N+]3(C)C |c:11,TLB:21:22:10:26.24.25,6:7:10:26.24.25|
CCC(=O)Oc1ccc2C[C@@H]3[C@@H]4C=C[C@H](OS([O-])(=O)=O)[C@@H]5Oc1c2[C@]45CC[NH+]3C |c:12,TLB:22:23:11:27.25.26,7:8:11:27.25.26|
C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CC[C@@H]4OS([O-])(=O)=O)ccc5OC(=O)c1ccccc1 |THB:7:8:12:1.3.2,21:9:12:1.3.2|
C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OS([O-])(=O)=O)ccc5OC(C)=O |c:16,THB:7:8:12:1.3.2,21:9:12:1.3.2|
C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OS([O-])(=O)=O)ccc5O |c:16,THB:7:8:12:1.3.2,21:9:12:1.3.2|
COc1ccc2C[C@@H]3[C@@H]4CC[C@H](OS([O-])(=O)=O)[C@@H]5Oc1c2[C@]45CC[NH+]3C |TLB:19:20:8:24.22.23,4:5:8:24.22.23|
C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CC[C@@H]4OS([O-])(=O)=O)ccc5OC(C)=O |THB:7:8:12:1.3.2,21:9:12:1.3.2|
C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CC[C@@H]4OS([O-])(=O)=O)ccc5O |THB:7:8:12:1.3.2,21:9:12:1.3.2|
COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](OS([O-])(=O)=O)[C@@H]5Oc1c2[C@]45CC[NH+]3C |c:9,TLB:19:20:8:24.22.23,4:5:8:24.22.23|
C[N+]1(C)CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OS([O-])(=O)=O)ccc5OC(=O)c1ccccc1 |c:17,THB:8:9:13:1.4.3,22:10:13:1.4.3|
C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OS([O-])(=O)=O)ccc5OC(=O)C(C)(C)C |c:16,THB:7:8:12:1.3.2,21:9:12:1.3.2|
C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OS([O-])(=O)=O)ccc5OC(=O)c1ccccc1 |c:16,THB:7:8:12:1.3.2,21:9:12:1.3.2|
CC(C)C(=O)Oc1ccc2C[C@@H]3[C@@H]4C=C[C@H](OS([O-])(=O)=O)[C@@H]5Oc1c2[C@]45CC[NH+]3C |c:13,TLB:23:24:12:28.26.27,8:9:12:28.26.27|
C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5OS([O-])(=O)=O |c:16,THB:7:8:12:1.3.2,17:9:12:1.3.2|
COc1ccc2CC3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(C)cc1 |TLB:4:5:21:8.11.10,15:16:21:8.11.10|
COc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccccc1Cl |TLB:4:5:24:8.14.13,18:19:24:8.14.13|
CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)NC(=O)\C=C\c1ccccc1C)ccc5O |TLB:29:9:12:1.3.2,7:8:12:1.3.2|
COc1ccc2CC3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1 |TLB:4:5:21:8.11.10,15:16:21:8.11.10|
CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)NC(=O)CCc1ccc(C)cc1)ccc5O |TLB:29:9:12:1.3.2,7:8:12:1.3.2|
Cc1ccccc1\C=C\C(=O)N[C@]12CCC(=O)[C@@H]3Oc4c5c(CC1N(CC1CC1)CC[C@@]235)ccc4O |THB:32:21:12:24.30.29,19:20:12:24.30.29|
COc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccccc1C |TLB:4:5:24:8.14.13,18:19:24:8.14.13|
Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccccc1Cl |TLB:3:4:23:7.13.12,17:18:23:7.13.12|
[H][C@@]12Oc3cccc4C[C@@]5([H])N(C)CC[C@@]1(c34)[C@]5(CCC2=O)NC(=O)\C=C\c1ccccc1Cl |r,THB:12:11:17:8.7.16|
COc1ccc2CC3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccccc1Cl |TLB:4:5:21:8.11.10,15:16:21:8.11.10|
CN1CCC23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)ccc5O |TLB:17:12:8.9.10:1.3.2,THB:0:1:12:8.9.10,7:8:12:1.3.2|
COc1ccc2CC3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccccc1C |TLB:4:5:21:8.11.10,15:16:21:8.11.10|
CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)NC(=O)\C=C\c1ccc(C)cc1)ccc5O |TLB:29:9:12:1.3.2,7:8:12:1.3.2|
C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCCc1ccc(cc1)-c1ccccc1 |TLB:15:14:1:4.9.3,8:9:1:14.12.13|
C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)N(C)CCc1ccc(cc1)-c1ccccc1 |TLB:8:9:1:14.12.13,15:14:1:4.9.3|
CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(cc21)C(=O)NCCc1ccc(cc1)-c1ccccc1 |TLB:14:13:11:5.3.4,6:5:11:15.20.13,THB:19:20:11:5.3.4|
C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCCc1ccccc1 |TLB:8:9:1:14.12.13,15:14:1:4.9.3|
C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCc1ccccc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
C[C@@H]1[C@@H]2Cc3ccc(cc3[C@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccc1 |TLB:15:14:1:4.9.3|
C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccccc1 |TLB:8:9:1:14.12.13,15:14:1:4.9.3|
C[C@H]1[C@H]2Cc3ccc(cc3[C@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccc1 |TLB:15:14:1:4.9.3|
C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)Nc1ccc(cc1)-c1ccccc1 |TLB:8:9:1:14.12.13,15:14:1:4.9.3|
CC1C2Cc3ccc(cc3C1(C)CCN2CC1CC1)C(=O)NCc1ccc(cc1)-c1ccccc1 |THB:0:1:3.4.9:14.12.13,5:4:1:14.12.13,8:9:1:14.12.13,15:14:1:3.4.9|
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCCCCc1ccc(Cl)cc1
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\Cc1ccc(Cl)cc1
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCCc1ccc(Cl)cc1
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C\C=C\c1ccc(Cl)cc1
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)Cc1ccc(Cl)cc1
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCCc1ccc(Cl)cc1
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)CCc1ccc(Cl)cc1
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC\C=C\Cc1ccc(Cl)cc1
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C\C=C\c1ccc(Cl)cc1
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)CCCc1ccc(Cl)cc1
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCCCCc1ccc(Cl)cc1
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCC\C=C\c1ccc(Cl)cc1
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)CCCc1ccc(Cl)cc1
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCCCc1ccc(Cl)cc1
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC\C=C\Cc1ccc(Cl)cc1
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCCCc1ccc(Cl)cc1
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)CCc1ccc(Cl)cc1
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)Cc1ccc(Cl)cc1
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCC\C=C\c1ccc(Cl)cc1
C[C@H]1CN2C[C@@H](NC[C@H]2C[C@@]1(C)c1cccc(c1)C(N)=O)c1ccccc1 |r|
C[C@H]1CN2C[C@H](NC[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r|
C[C@H]1CN2CCN(Cc3ccc(Cl)cc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
C[C@H]1CN2CCN(Cc3ccccc3O)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
C[C@H]1CN2C[C@@H](N(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r|
C[C@H]1CN2C[C@@H](NC[C@H]2C[C@@]1(C)c1cccc(O)c1)C1CCCCC1 |r|
C[C@H]1CN2CCN(Cc3cccs3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
C[C@H]1CN2CCN(CC3CCCCC3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
C[C@H]1CN2CCN(Cc3ccccc3C)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
C[C@H]1CN2CCN(Cc3ccc(O)cc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
C[C@H]1CN2C[C@@H](N(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(c1)C(N)=O)c1ccccc1 |r|
C[C@H]1CN2C[C@@H](N(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(c1)C(O)=O)c1ccccc1 |r|
C[C@H]1CN2CCN(Cc3ccccc3Cl)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
C[C@H]1CN2CCN(Cc3cccc(O)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
C[C@H]1CN2CCN(C[C@H]2C[C@@]1(C)c1cccc(O)c1)S(=O)(=O)c1ccccc1 |r|
C[C@H]1CN2C[C@@H](Cc3ccccc3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
C[C@H]1CN2CCN(C[C@H]2C[C@@]1(C)c1cccc(O)c1)C(=O)Nc1ccccc1 |r|
C[C@H]1CN2CCN(Cc3ccsc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
C[C@H]1CN2CCN(Cc3cccc(C)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
C[C@H]1CN2CCN(Cc3ccc(C)cc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
C[C@H]1CN2CCN(Cc3cccc(Cl)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
C[C@H]1CN2CCN(C[C@H]2C[C@@]1(C)c1cccc(O)c1)C(=O)Cc1ccccc1 |r|
C[C@H]1CN2CCN(Cc3ccccn3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
C[C@H]1CN2CCN(C[C@H]2C[C@@]1(C)c1cccc(O)c1)C(=O)CCc1ccccc1 |r|
C[C@H]1CN2CCN(C[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r|
C[C@H]1CN2CCN(CCCc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
C[C@H]1CN2CCN(Cc3cccnc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
C[C@H]1CN2CCN(Cc3ccncc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
C[C@H]1CN2CCN(Cc3ccoc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
C[C@H]1CN2CCCN(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
C[C@H]1CN2CCN(Cc3ccco3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
C[C@H]1[C@H]2CC[C@@H](CN2CC[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r|
C[C@H]1[C@H]2CC[C@H](CN2CC[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r|
C[C@H]1[C@@H]2CC[C@H](CN2CC[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r|
C[C@H]1[C@@H]2CC[C@@H](CN2CC[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r|
C[C@H]1CN2C[C@@H](CC[C@@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r|
C[C@H]1[C@@H]2CCCCN2CC[C@@]1(C)c1cccc(O)c1 |r|
CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(C)c41)ccc5O |r,TLB:25:9:12:3.2.1,7:8:12:3.2.1|
Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2CCCCc2n1CCc1ccccc1 |r,TLB:3:4:22:13.12.7,17:18:22:13.12.7|
CCn1cc(c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56)-c1ccccc1 |r,THB:12:11:7:21.22.23,16:28:7:21.22.23|
Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2CCCCc2n1Cc1ccccc1 |r,TLB:3:4:22:13.12.7,17:18:22:13.12.7|
CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(Cc2ccccc2)c41)ccc5O |r,TLB:31:9:12:3.2.1,7:8:12:3.2.1|
CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(CCc2ccccc2)c41)ccc5O |r,TLB:32:9:12:3.2.1,7:8:12:3.2.1|
Cn1cc(c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56)-c1ccccc1 |r,THB:11:10:6:20.21.22,15:27:6:20.21.22|
Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2CCCCc2n1CC1CCCCC1 |r,TLB:3:4:22:13.12.7,17:18:22:13.12.7|
CCn1c2CCCCc2c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56 |r,THB:16:15:11:25.26.27,20:32:11:25.26.27|
CCn1c2CCCCc2c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4C)c56 |r,THB:16:15:11:25.26.27,20:29:11:25.26.27|
Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2CCCCc2n1CC1CC1 |r,TLB:3:4:22:13.12.7,17:18:22:13.12.7|
CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(CC2CCCCC2)c41)ccc5O |r,TLB:31:9:12:3.2.1,7:8:12:3.2.1|
Cn1c2CCCCc2c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56 |THB:15:14:10:26.24.25,19:31:10:26.24.25|
O[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1 |TLB:53:52:41.58.42:44|
O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(OC(=O)CCCCCCCCC(=O)Oc5ccc6C[C@@H]7C8CCCC[C@]8(CCN7CC7CCC7)c6c5)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |TLB:41:40:29.46.30:32|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@@]5(O)CCC2=O)ccc3OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@]3([H])C4CCCC[C@]4(CCN3CC3CCC3)c2c1 |TLB:55:54:42.60.43:46,61:60:46:54.52.53,THB:10:9:5.4.6:16|
Cc1cccc2O[C@H]3CC[NH+]4CCC[C@@H]4[C@H]3C(=O)c12
Cc1cccc(O)c1C(=O)[C@@H]1[C@H]2CCC[NH+]2CC[C@@H]1O
CNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3CC3CC3)c2c1 |TLB:20:19:8.24.9:11,25:24:11:19.17.18|
CCNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3CC3CC3)c2c1 |TLB:21:20:9.25.10:12,26:25:12:20.18.19|
O=C(Nc1ccccc1)Oc1ccc2CC3C4CCCCC4(CCN3CC3CC3)c2c1 |TLB:25:24:13.29.14:16,30:29:16:24.22.23|
O=C(NCc1ccccc1)Oc1ccc2CC3C4CCCCC4(CCN3CC3CC3)c2c1 |TLB:26:25:14.30.15:17,31:30:17:25.23.24|
CCNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3C)c2c1 |TLB:21:20:9.22.10:12,23:22:12:20.18.19|
O=C(NCc1ccccc1)Oc1ccc2CC3C4CCCCC4(CCN3CC3CCC3)c2c1 |TLB:26:25:14.31.15:17,32:31:17:25.23.24|
CNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3CC3CCC3)c2c1 |TLB:20:19:8.25.9:11,26:25:11:19.17.18|
CCNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3CC3CCC3)c2c1 |TLB:21:20:9.26.10:12,27:26:12:20.18.19|
O=C(Nc1ccccc1)Oc1ccc2CC3C4CCCCC4(CCN3CC3CCC3)c2c1 |TLB:25:24:13.30.14:16,31:30:16:24.22.23|
CNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3C)c2c1 |TLB:20:19:8.21.9:11,22:21:11:19.17.18|
C(OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
CCCOC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccccc1
CCOC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccccc1
COC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccccc1
COc1ccc(cc1)C(N1CCC(O)(CC1)c1ccccc1)c1ccc(OC)cc1
COc1ccccc1C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1OC
COCC(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:3.2|
OC1(CCN(CC1)C(c1cccs1)c1ccccc1)c1ccccc1 |w:7.7|
OC1(CCN(CC1)C(c1ccccc1)c1cccnc1)c1ccccc1 |w:7.7|
Cc1ccccc1C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:7.8|
OC1(CCN(CC1)C(c1ccccc1)c1ccccn1)c1ccccc1 |w:7.7|
OC1(CCN(CC1)C(C(=O)Nc1c(F)cccc1F)c1ccccc1)c1ccccc1 |w:7.20|
COC(=O)C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:4.4|
CCOCC(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:4.3|
OC1(CCN(CC1)C(c1ccccc1)c1cccc(Cl)c1)c1ccccc1 |w:7.7|
OC1(CCN(CC1)C(c1ccccc1)c1ccccc1Cl)c1ccccc1 |w:7.7|
CCc1ccccc1C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:8.9|
OC1(CCN(CC1)C(c1ccccc1)c1ccc(cc1)C(F)(F)F)c1ccccc1 |w:7.8|
OC1(CCN(CC1)C(c1ccccc1)c1cccc(c1)C(F)(F)F)c1ccccc1 |w:7.8|
OC1(CCN(CC1)C(c1ccccc1)c1ccccc1C(F)(F)F)c1ccccc1 |w:7.8|
Cc1ccc(cc1)C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:7.8|
Cc1cccc(c1)C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:7.8|
OC1(CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1)c1ccccc1 |w:7.7|
CCC(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:2.1|
CC(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:1.0|
OC1(CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1
Cc1ccccc1C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1C
OC(=O)c1ccccc1C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:9.10|
OCc1ccccc1C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:8.9|
COc1ccccc1C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:8.9|
OC1(CCN(CC1)C(c1ccccc1)c1ccc(Br)cc1)c1ccccc1 |w:7.7|
OC1(CCN(CC1)C(c1ccccc1)c1ccccc1Br)c1ccccc1 |w:7.7|
OC1(CCN(CC1)C(c1ccccc1)c1ccccc1F)c1ccccc1 |w:7.7|
CCCC(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:3.2|
OC1(CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1)c1ccccc1
OC1(CCN(CC1)C(Cc1ccccc1)c1ccccc1)c1ccccc1 |w:7.8|
OC1(CCN(CC1)C(c1ccccc1F)c1ccccc1F)c1ccccc1
OC1(CCN(CC1)C(C1CCCC1)c1ccccc1)c1ccccc1 |w:7.7|
CCCCCCC(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:6.5|
CC(C)CCC(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:5.4|
CCCCCC(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:5.4|
CCCCC(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:4.3|
[H][C@]1(C[C@@]2(C)[C@@]([H])(CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@]23[H])C(=O)OC)C(=O)O1)[C@@]1(O)[C@H](O)[C@@H](OC)O[C@H]1OC |r|
[H][C@@]1(CC(=O)[C@]2([H])CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@]3([H])[C@@]2(C)C1)C(=O)OC)[C@@]1(O)[C@H](O)[C@H](OC)O[C@@H]1OC |r|
[H][C@]1(C[C@@]2(C)[C@@]([H])(CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@]23[H])C(=O)OC)C(=O)O1)C1CC(OC)OC1OC
CO[C@@H]1C[C@H]([C@H](OC)O1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1C(=O)O[C@@H](C[C@]21C)c1nc(C)no1
CO[C@H]1O[C@H](OC)C(=C1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1 |c:7|
CO[C@H]1O[C@@H](OC)C(=C1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1 |c:7|
CO[C@@H]1C[C@H]([C@@H](OC)O1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)OCC[C@]21C
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C1=NCCO1 |t:29|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@@H]2[C@@](C)(CCC3CCOC3)[C@@H](CC[C@@]12C)C(O)=O
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C1CCOC1
COC(=O)[C@@H]1C[C@H](O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1Br |r|
COC1OC(OC)C(=C1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1 |c:7|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)[C@@H]1CCOC1
CO[C@H]1O[C@@H](OC)[C@](O)([C@@H]1OC(C)=O)C1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1
CO[C@@H]1O[C@H](OC)[C@](O)([C@@H]1OC(C)=O)C1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1nc(C)no1 |r|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC(=O)\C=C\c2ccccc2)C1)ccc3O |THB:10:9:5.4.6:14|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC(=O)\C=C\c2ccccc2C)C1)ccc3O |THB:10:9:5.4.6:14|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC(=O)\C=C\c2ccccc2OC)C1)ccc3OC |THB:10:9:5.4.6:14|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC(=O)\C=C\c2ccc(OC)cc2)C1)ccc3OC |THB:10:9:5.4.6:14|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC(=O)\C=C\c2ccc(Cl)cc2)C1)ccc3O |THB:10:9:5.4.6:14|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC(=O)\C=C\c2ccc(cc2)[N+]([O-])=O)C1)ccc3O |THB:10:9:5.4.6:14|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC(=O)\C=C\c2ccccc2Cl)C1)ccc3O |THB:10:9:5.4.6:14|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC(=O)\C=C\c2ccc(C)cc2)C1)ccc3O |THB:10:9:5.4.6:14|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC\C=C\c2ccc(Cl)cc2)C1)ccc3OC |THB:10:9:5.4.6:14|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC\C=C\c2ccccc2)C1)ccc3O |THB:10:9:5.4.6:14|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC\C=C\c2ccccc2)C1)ccc3OC |THB:10:9:5.4.6:14|
[H][C@]12CN(C[C@@]1([H])[C@]13C=C[C@@]2(OC)[C@]2([H])Oc4c5c(C[C@@]1([H])N(C)CC[C@@]325)ccc4O)C(=O)\C=C\c1ccc(C)cc1 |c:9,TLB:23:22:18.17.19:7|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC\C=C\c2ccc(Cl)cc2)C1)ccc3O |THB:10:9:5.4.6:14|
[H][C@]12CN(C[C@@]1([H])[C@]13C=C[C@@]2(OC)[C@]2([H])Oc4c5c(C[C@@]1([H])N(C)CC[C@@]325)ccc4O)C(=O)\C=C\c1ccccc1C |c:9,TLB:23:22:18.17.19:7|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC(=O)\C=C\c2ccccc2Cl)C1)ccc3OC |THB:10:9:5.4.6:14|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC(=O)\C=C\c2ccc(C)cc2)C1)ccc3OC |THB:10:9:5.4.6:14|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC(=O)\C=C\c2ccccc2)C1)ccc3OC |THB:10:9:5.4.6:14|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC(=O)\C=C\c2ccccc2C)C1)ccc3OC |THB:10:9:5.4.6:14|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC(=O)\C=C\c2ccc(Cl)cc2)C1)ccc3OC |THB:10:9:5.4.6:14|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC(=O)\C=C\c2ccc(cc2)[N+]([O-])=O)C1)ccc3OC |THB:10:9:5.4.6:14|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC(=O)\C=C\c2ccccc2[N+]([O-])=O)C1)ccc3OC |THB:10:9:5.4.6:14|
NC(=O)c1ccc(Oc2ccc3CCN(Cc4ccccc4)Cc3c2)nc1
NC(=O)c1ccc(Oc2ccc3CN(CCc4ccccc4)CCCc3c2)nc1
NC(=O)c1ccc(Oc2ccc3CCN(CCc4ccccc4)Cc3c2)nc1
NC(=O)c1ccc(Oc2ccc3CCN(CCc4ccccc4)CCc3c2)nc1
NC(=O)c1ccc(Oc2ccc3CCN(Cc4ccccc4)CCc3c2)nc1
NC(=O)c1ccc(Oc2ccc(CCN3CCc4ccccc4C3)cc2)nc1
CCCCCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
CCCCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
NC(=O)c1ccc(Oc2ccc3CN(CCCC(F)(F)F)CCCc3c2)nc1
CCC(CC)CN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
NC(=O)c1ccc(Oc2ccc3CN(CCCC4CCCCC4)CCCc3c2)nc1
NC(=O)c1ccc(Oc2ccc3CN(CCCN4CCOCC4)CCCc3c2)nc1
NC(=O)c1ccc(Oc2ccc3CN(CCN4CCOCC4)CCCc3c2)nc1
NC(=O)c1ccc(Oc2ccc3CN(Cc4ccccc4)Cc3c2)nc1
NC(=O)c1ccc(Oc2ccc3CN(Cc4ccccc4)CCc3c2)nc1
NC(=O)c1ccc(Oc2ccc3CN(CCc4ccccc4)Cc3c2)nc1
NC(=O)c1ccc(Oc2ccc3CN(CCCc4ccccc4)CCc3c2)nc1
NC(=O)c1ccc(Oc2ccc3CN(CCc4ccccc4)CCc3c2)nc1
CCCCCCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
CC(C)CCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
CC(C)CCCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
CC(C)(C)CCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
CC(C)CCCCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccccc1-c1ccccc1 |w:2.2,TLB:8:9:1:14.13.12,15:14:1:4.9.3|
C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1cccc(c1)-c1ccccc1 |w:2.2,TLB:8:9:1:14.13.12,15:14:1:4.9.3|
C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1cccc(Br)c1 |w:2.2,TLB:8:9:1:14.13.12,15:14:1:4.9.3|
C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(Br)cc1 |w:2.2,TLB:8:9:1:14.13.12,15:14:1:4.9.3|
C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccccc1Br |w:2.2,TLB:8:9:1:14.13.12,15:14:1:4.9.3|
C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccc(Cl)cc1 |w:2.2,TLB:8:9:1:14.13.12,15:14:1:4.9.3|
C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCCc1cccc2ccccc12 |w:2.2,TLB:8:9:1:14.13.12,15:14:1:4.9.3|
C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccc(C)cc1 |w:2.2,TLB:8:9:1:14.13.12,15:14:1:4.9.3|
C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCc1cccc2ccccc12 |w:2.2,TLB:8:9:1:14.13.12,15:14:1:4.9.3|
C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccc(Cl)c(Cl)c1 |w:2.2,TLB:8:9:1:14.13.12,15:14:1:4.9.3|
C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCCc1ccc2ccccc2c1 |w:2.2,TLB:8:9:1:14.13.12,15:14:1:4.9.3|
C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCc1ccc2ccccc2c1 |w:2.2,TLB:8:9:1:14.13.12,15:14:1:4.9.3|
C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1cccc2ccccc12 |w:2.2,TLB:8:9:1:14.13.12,15:14:1:4.9.3|
COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
CCC(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1
CCC(C)(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1
CCN(CC)C(=O)c1ccc(CN2C[C@H]3CC=C([C@@H]2CN3CC=C)c2ccccc2)cc1 |wU:18.18,wD:14.21,c:16,TLB:24:17:20.19:13.12,11:12:20.19:15.16.17,THB:21:20:13.12:15.16.17,(-7.97,-38.58,;-6.63,-37.81,;-5.3,-38.58,;-5.3,-40.12,;-6.63,-40.89,;-3.97,-37.82,;-3.97,-36.27,;-2.64,-38.58,;-2.64,-40.13,;-1.31,-40.9,;.02,-40.13,;1.36,-40.9,;2.73,-40.2,;3.78,-39.02,;5.37,-39.07,;6.35,-40.4,;5.89,-41.97,;5.32,-40.73,;4.02,-40.08,;4.86,-38.45,;6.06,-37.71,;7.1,-36.59,;8.61,-36.92,;9.65,-35.8,;4.23,-41.83,;2.73,-41.37,;1.65,-42.46,;2,-43.94,;3.49,-44.38,;4.58,-43.3,;.02,-38.58,;-1.31,-37.82,)|
COC(=O)[C@@H]1C[C@H](OC(=O)c2cccc(OC)c2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2OC)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
COC(=O)[C@@H]1C[C@H](OC(=O)c2ccc(OC)cc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
COC(=O)[C@@H]1C[C@H](NC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
COC(=O)[C@@H]1C[C@H](OC(=O)c2cccc(c2)[N+]([O-])=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
COC(=O)[C@@H]1C[C@H](SC(=O)c2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
COC(=O)[C@@H]1C[C@H](NS(C)(=O)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2[N+]([O-])=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
COC(=O)[C@@H]1C[C@H](NC(=O)c2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
COC(=O)[C@@H]1C[C@H](OC(=O)C2CCCCC2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
COC(=O)[C@@H]1C[C@H](OC(=O)c2ccc(cc2)[N+]([O-])=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
COC(=O)[C@@H]1C[C@H](NS(=O)(=O)c2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
COC(=O)[C@@H]1C[C@H](OC(=O)c2ccsc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
COC(=O)[C@@H]1C[C@H](OC(=O)c2cccc3ccccc23)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
COC(=O)[C@@H]1C[C@H](OC(=O)c2ccc3ccccc3c2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
COC(=O)[C@@H]1C[C@H](OC(=O)c2cc3ccccc3o2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc2OCOc2c1
COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(cc1OC)S(=O)(=O)N1CCCC1
COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(cc1OC)S(=O)(=O)N(C)Cc1ccccc1
CN(C)S(=O)(=O)c1cc2OCOc2cc1CC(=O)N(C)[C@H](CN1CCCC1)c1ccccc1
COc1cc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)c(cc1OC)S(=O)(=O)N1CCOCC1
CN(Cc1ccccc1)S(=O)(=O)c1cc2OCOc2cc1CC(=O)N(C)[C@H](CN1CCCC1)c1ccccc1
CN(C)S(=O)(=O)c1cc2OCOc2cc1CC(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1
COc1cc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)c(cc1OC)S(=O)(=O)N(C)C
COc1ccc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)cc1OC
COc1cc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)c(cc1OC)S(=O)(=O)N1CCN(C)CC1
COc1cc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)c(cc1OC)S(=O)(=O)N1CCCC1
COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(cc1OC)S(=O)(=O)N1CCOCC1
COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(cc1OC)S(=O)(=O)N1CCN(C)CC1
COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(cc1OC)S(=O)(=O)N(C)C
C[C@H]1C2Cc3ccc4c(NCCc5ccc(cc5)-c5ccccc5)ncnc4c3[C@@]1(C)CCN2CC1CC1 |r,TLB:27:28:1:33.31.32,34:33:1:4.28.3|
C[C@H]1C2Cc3cc4ncnc(N)c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:13:14:1:19.17.18,20:19:1:4.14.3|
C[C@H]1C2Cc3ccc4c(N)ncnc4c3[C@@]1(C)CCN2CC1CC1 |r,TLB:13:14:1:19.17.18,20:19:1:4.14.3|
C[C@H]1C2Cc3ccc4c(nc[nH]c4=O)c3[C@@]1(C)CCN2CC1CC1 |r,TLB:8:14:1:19.17.18,20:19:1:4.14.3|
C[C@H]1C2Cc3cc(c(O)cc3[C@@]1(C)CCN2CC1CC1)[N+]([O-])=O |r,TLB:9:10:1:15.13.14,16:15:1:4.10.3|
C[C@H]1C2Cc3cc4cc[nH]c(=O)c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:13:14:1:19.17.18,20:19:1:4.14.3|
C[C@H]1C2Cc3ccc(O)c(c3[C@@]1(C)CCN2CC1CC1)[N+]([O-])=O |r,TLB:9:10:1:15.13.14,16:15:1:4.10.3|
C[C@H]1C2Cc3cc4nc[nH]c(=O)c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:13:14:1:19.17.18,20:19:1:4.14.3|
C[C@H]1C2Cc3cc4ncnc(NCc5ccccc5)c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:20:21:1:26.24.25,27:26:1:4.21.3|
C[C@H]1C2Cc3cc4ncnc(NCCc5ccc(cc5)-c5ccccc5)c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:27:28:1:33.31.32,34:33:1:4.28.3|
C[C@H]1C2Cc3ccc4c(NCc5ccccc5)ncnc4c3[C@@]1(C)CCN2CC1CC1 |r,TLB:20:21:1:26.24.25,27:26:1:4.21.3|
C[C@H]1C2Cc3ccc(C(N)=O)c(N)c3[C@@]1(C)CCN2CC1CC1 |r,TLB:11:13:1:18.16.17,19:18:1:4.13.3|
C[C@H]1C2Cc3cc(N)c(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:9:10:1:15.13.14,16:15:1:4.10.3|
C[C@H]1C2Cc3ccc(C(N)=O)c(c3[C@@]1(C)CCN2CC1CC1)[N+]([O-])=O |r,TLB:11:12:1:17.15.16,18:17:1:4.12.3|
C[C@H]1C2Cc3cc(c(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O)[N+]([O-])=O |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
COc1ccccc1CNCCc1cc(OC)c(I)cc1OC
COc1ccc(C[C@@H]2CN3[C@@H](C)C[NH+]=C3N2CCC2CC3CCC2C3)cc1 |r,c:13,THB:17:18:24:22.21|
COc1ccc(C[C@H]2CN3[C@@H](C)C[NH+]=C3N2CCCC2CCCCC2)cc1 |r,c:13|
C[C@H]1CC=CC2=C1C(=O)[C@H]1[C@@H]3CCCN3CC[C@H]1O2 |r,c:3,5|
C[C@H]1C[C@H](N)CC2=C1C(=O)[C@H]1[C@@H]3CCCN3CC[C@H]1O2 |r,c:6|
COC(=O)C[C@@H]1C[C@H](C)CC(=N1)C1=CCC[NH+]2CCCC12 |r,c:10,t:13|
C[C@H]1CC=CC(=O)[C@@H]1C(=O)C1=CCC[NH+]2CCC[C@@H]12 |r,c:3,t:11|
C[C@H]1C[C@H](O)CC2=C1C(=O)[C@H]1[C@@H]3CCCN3CC[C@H]1O2 |r,c:6|
CO[C@@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(C(N)=O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](O)CC[C@@]35O |r|
NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C1NC2C(C[C@@]4(O)[C@H]6Cc7ccc(C(N)=O)c8O[C@@H]2[C@]4(CCN6CC2CC2)c78)C1C[C@@]35O |r|
CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(c1)C(N)=O |r|
NC(=O)c1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@H]5Oc1c2[C@]45CCN3CC=C |r,c:10|
NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=C)CC[C@@]35O |r|
CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1 |r|
COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C
CC1C2Cc3ccc(cc3C1(C)CCN2CCc1ccccc1)C(N)=O |TLB:8:9:1:14.13.12,15:14:1:4.9.3|
NC(=O)c1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](O)CC[C@@]35O |r|
NC(=O)c1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r,TLB:10:9:6.24.7:22|
[#6]-[#6@H]1-[#6@H]-2-[#6]-c3ccc(cc3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#7])=O |r,TLB:15:14:1:4.9.3|
CC1C2Cc3ccc(cc3C1(C)CCN2C)C(N)=O |TLB:8:9:1:14.13.12,15:14:1:4.9.3|
O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 |r,c:2,TLB:3:4:22.7.6:18.16.17|
C[C@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C |THB:16:15:1:4.10.3|
CC1C2Cc3ccc(O)cc3C1(C)CCN2CCc1ccccc1 |TLB:16:15:1:4.10.3,9:10:1:15.14.13|
COc1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:9|
CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccc(O)cc12 |t:14|
CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2cc(O)ccc12 |t:14|
Cc1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:8|
Clc1ccc(CS(=O)(=O)N2CCC3(CC2)CC(c2ccccc2)c2ccccc2O3)cc1
C1CC2(CCN1)Oc1ccccc1C(=C2)c1ccccc1 |c:15|
CCN(CC)C(=O)c1ccc(cc1)C2=CC3(CCNCC3)Oc4c2c(ccc4)O
FC(F)(F)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:11|
C1CC2(CCN1)CC(c1ccccc1)c1ccccc1O2
N#Cc1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:9|
Oc1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:8|
OC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:10|
COC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:11|
CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2c(O)cccc12 |t:14|
CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCN(CC2)C(C)=O)Oc2ccccc12 |t:14|
CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCN(CC)CC2)Oc2ccccc12 |t:14|
CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCN(C)CC2)Oc2ccccc12 |t:14|
CCN(CC)C(=O)c1ccccc1C1=CC2(CCNCC2)Oc2ccccc12 |t:14|
CCN(CC)C(=O)c1cccc(c1)C1=CC2(CCNCC2)Oc2ccccc12 |t:14|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccncc1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cc2ccccc2cn1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cc2ccccc2cn1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1ccc2ccccc2n1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc2ccccc2n1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1ccccc1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccccc1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cnc2ccccc2c1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccccn1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cnc2ccccc2c1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1ccncc1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1ccc2ccccc2c1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cccnc1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccnc1 |r|
C[C@@H](O)[C@H](NC(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@H]1Cc2ccccc2CN1)[C@@H](C)O)C(N)=O |r,wU:7.6,52.62,72.79,62.65,wD:3.3,1.1,40.42,26.26,15.15,11.77,(48.26,5.04,;48.26,6.58,;49.59,7.35,;46.94,7.35,;45.6,6.58,;45.6,5.04,;46.94,4.27,;44.31,4.21,;44.37,2.53,;45.7,1.73,;47.03,2.49,;45.68,.2,;44.35,-.59,;43.01,.19,;43.01,-1.36,;41.59,-.59,;41.59,-2.12,;42.92,-2.89,;42.92,-4.43,;44.25,-5.19,;44.25,-6.74,;42.92,-7.51,;45.58,-7.51,;40.35,.19,;39.02,-.58,;39.02,-2.11,;37.69,.19,;37.69,-2.27,;36.36,-3.03,;34.91,-2.41,;33.89,-3.64,;34.63,-4.9,;34.16,-6.36,;35.19,-7.52,;36.71,-7.23,;37.22,-5.75,;36.16,-4.56,;36.36,-.57,;35.02,.2,;35.02,-1.34,;33.68,-.57,;33.68,-2.57,;32.15,-3.85,;30.69,-3.31,;29.5,-4.31,;29.79,-5.85,;28.62,-6.85,;31.23,-6.37,;32.42,-5.37,;32.36,.21,;30.96,-.54,;30.62,-2.04,;29.66,.31,;29.71,1.78,;34.37,3.93,;42.28,3.53,;42.95,4.89,;41.58,5.57,;43.64,6.26,;28.29,-.41,;26.96,.36,;26.96,1.91,;25.63,-.41,;25.63,-1.9,;24.29,-2.67,;24.29,-4.24,;23,-4.98,;21.72,-4.24,;21.64,-2.73,;22.96,-1.97,;22.96,-.41,;24.25,.4,;47.01,-.57,;48.34,.2,;47.01,-2.11,;46.94,8.89,;45.6,9.67,;48.26,9.67,)|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc2ccccc2c1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1ccccn1 |r|
CN1CCC[C@H](C1)c1nc2ccccc2n1C1CCN(CC1)C1(C)CCCCCCC1 |r|
CN1CCC[C@@H](C1)c1nc2ccccc2n1C1CCN(CC1)C1(C)CCCCCCC1 |r|
CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)[C@H]1CCCNC1 |r|
CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)[C@@H]1CCCNC1 |r|
CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cccc(OCCO)c1
CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cccc(CN)c1
CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cccc(c1)C(F)(F)F
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)\C=C\c1ccc(Cl)cc1 |r|
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)\C=C\c1ccccc1 |r|
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)\C=C\c1ccc(C)cc1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OCCCc1ccccc1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)c1ccc2ccccc2n1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)c1ccc2ccccc2c1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)c1cnc2ccccc2c1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)c1cc2ccccc2cn1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)c1ccccc1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)c1cccnc1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)c1ccncc1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)c1ccccn1 |r|
C[C@@H](O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O)C(C)(C)S)C(O)=O |r,wU:40.51,26.38,11.11,67.72,wD:7.7,3.3,58.61,52.57,15.22,1.1,(40.38,-16.39,;41.72,-15.62,;43.06,-16.39,;41.72,-14.08,;40.39,-13.31,;39.06,-14.08,;39.06,-15.62,;37.72,-13.31,;36.39,-14.08,;36.39,-15.62,;37.72,-16.39,;35.06,-16.39,;35.06,-17.93,;33.72,-18.7,;32.39,-17.92,;33.72,-20.24,;35.06,-21.01,;36.39,-20.24,;37.72,-21,;39.05,-20.23,;40.39,-21,;40.39,-22.54,;41.72,-20.23,;32.39,-21.01,;32.39,-22.55,;33.72,-23.31,;31.06,-23.31,;29.72,-22.54,;29.72,-21.01,;30.96,-20.1,;30.48,-18.64,;28.94,-18.64,;27.91,-17.49,;26.4,-17.82,;25.93,-19.28,;26.96,-20.42,;28.47,-20.1,;31.06,-24.85,;29.72,-25.62,;28.39,-24.85,;29.72,-27.17,;31.06,-27.94,;32.39,-27.16,;33.73,-27.93,;35.06,-27.16,;35.06,-25.62,;36.39,-24.85,;33.72,-24.85,;32.39,-25.62,;28.39,-27.94,;27.06,-27.17,;27.06,-25.63,;25.72,-27.94,;25.72,-29.48,;27.06,-30.25,;24.39,-27.17,;23.05,-27.94,;23.05,-29.48,;21.72,-27.17,;20.38,-27.94,;21.72,-25.63,;23.05,-24.86,;24.38,-25.63,;25.72,-24.86,;25.72,-23.32,;24.38,-22.55,;23.05,-23.32,;33.72,-15.61,;32.38,-16.39,;33.72,-14.08,;37.72,-11.77,;39.26,-11.76,;36.18,-11.78,;37.71,-10.22,;43.06,-13.3,;44.4,-14.07,;43.06,-11.74,)|
NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r|
NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c2c1O |r,TLB:10:9:7.30.6:28|
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CCC4=O)ccc5O |r|
NC(=O)c1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(C[C@H](O)CC[C@@]34O)c2c1O |r|
NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1O |r,TLB:10:9:7.24.6:22|
C[N+]1(CC2CC2)CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O |r|
NC(=O)c1ccc2C[C@H]3N(CC4CCC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](O)CC[C@@]35O |r|
NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CCCC[C@@]34O)c2c1O |r,TLB:10:9:7.23.6:21|
C[N+]1(CC2CC2)CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c31 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@]45[C@H](CCC[C@@]34O)Oc1c25 |r|
NC(=O)c1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(C[C@@H](O)CC[C@@]34O)c2c1O |r|
CN1CC[C@]23CC(=O)CC[C@H]2[C@H]1Cc1ccc(C(N)=O)c(O)c31 |r,TLB:0:1:12.22.13:10|
NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@]45[C@H](CCC[C@@]34O)Oc1c25 |r|
C[N+]1(CC2CC2)CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5C(N)=O |r|
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CCC4=O)ccc5C(N)=O |r|
COc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3CCCN3C2=O)cc1 |r|
COc1ccc(C[C@@H]2NC(=O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC2=O)cc1 |r|
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O |r|
O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]12 |r|
CC(=O)n1cc(C[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c2ccccc12 |r|
Oc1cccc(C[C@@H]2NC(=O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC2=O)c1 |r|
CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O |r|
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O |r|
C[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C1=O |r|
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCC(=O)N2CCC[C@H]12 |r|
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Fc1ccc(C[C@@H]2NC(=O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC2=O)cc1 |r|
C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O |r|
Oc1ccc(C[C@@H]2NC(=O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC2=O)cc1 |r|
Oc1cccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3CCCN3C2=O)c1 |r|
Fc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3CCCN3C2=O)cc1 |r|
O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]12 |r|
Oc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3CCCN3C2=O)cc1 |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO[C@@H]1O[C@H](CC)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
COc1ccc2C[C@H]3N(C)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c2c1O
CN1CC[C@]23Cc4[nH]c5ccccc5c4C[C@]2(Cc2ccc(O)cc32)C1 |r|
Oc1ccc2C[C@@]34CN(CC5CC5)CC[C@@]3(Cc3[nH]c5ccccc5c3C4)c2c1 |r|
CN1CC[C@]23Cc4c(C[C@]2(Cc2ccc(O)cc32)C1)c1ccccc1n4C |r|
COc1ccc2C[C@@]34CN(C)CC[C@@]3(Cc3[nH]c5ccccc5c3C4)c2c1 |r|
COc1ccc2C[C@@]34CN(CC5CC5)CC[C@@]3(Cc3[nH]c5ccccc5c3C4)c2c1 |r|
Cn1c2C[C@@]34CCN(CC5CC5)C[C@@]3(Cc3ccc(O)cc43)Cc2c2ccccc12 |r|
NC(Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2CC1C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(NC(=O)CBr)cc1)C(O)=O
NC(Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2CC1C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(N)cc1)C(O)=O
NC(Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2CC1C(=O)NC(Cc1ccc(NC(=O)CBr)cc1)C(=O)NC(Cc1ccccc1)C(O)=O
NC(Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2CC1C(=O)NC(Cc1ccc(N)cc1)C(=O)NC(Cc1ccccc1)C(O)=O
COc1ccc2C[C@@]34CN(C)CC[C@@]3(Cc3c(C4)c4ccccc4n3C)c2c1 |r|
COc1c(O)ccc2C[C@H]3N(C)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c12
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(Br)cc1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(cc1)C(F)(F)F |r|
CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(I)cc1 |r|
Cc1ccc(cc1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(Cl)cc1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(Cl)c(Cl)c1 |r|
COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
CCC(=O)N1C[C@@H]2[C@@H](CC[C@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
CCC(=O)N1C[C@H]2[C@@H](CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
COC(=O)N1C[C@@H]2[C@H](CC[C@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Clc1ccc(CC(=O)N2C[C@H]3CC[C@H]([C@@H]2CN3Cc2ccccc2)N2CCCC2)cc1Cl |r,TLB:24:13:8.9:16.15,THB:17:16:8.9:11.12.13|
Clc1ccc(CC(=O)N2C[C@H]3CC[C@@H]([C@@H]2CN3Cc2ccccc2)N2CCCC2)cc1Cl |r,TLB:24:13:8.9:16.15,THB:17:16:8.9:11.12.13|
Clc1ccc(CC(=O)N2C[C@@H]3CC[C@@H]([C@H]2CN3Cc2ccccc2)N2CCCC2)cc1Cl |r,TLB:24:13:8.9:16.15,THB:17:16:8.9:11.12.13|
Clc1ccc(CC(=O)N2C[C@@H]3CC[C@H]([C@H]2CN3Cc2ccccc2)N2CCCC2)cc1Cl |r,TLB:24:13:8.9:16.15,THB:17:16:8.9:11.12.13|
CCC(=O)N1C[C@H]2[C@H](CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
CCC(=O)N1C[C@@H]2[C@H](CC[C@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
COC(=O)N1C[C@H]2[C@H](CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
COC(=O)N1C[C@@H]2[C@@H](CC[C@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
COC(=O)N1C[C@H]2[C@@H](CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CS1=O |r|
CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@@H]1Cc2ccc(O)cc2CO1 |r|
CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CS1 |r|
CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1CCc2cc(O)ccc2C1 |r|
CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@@H]1Cc2ccc(O)cc2CS1 |r|
CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CO1 |r|
CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@@H]1CCc2cc(O)ccc2C1 |r|
CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)c1ccc2cc(O)ccc2c1 |r|
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CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
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Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CSSC[C@@H](N)C1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:10.11,65.79,85.90,29.31,wD:19.20,70.75,40.43,77.82,51.54,(-6.99,1.44,;-8.33,2.2,;-9.67,1.43,;-11.01,2.2,;-12.34,1.43,;-11,3.74,;-9.66,4.51,;-9.66,6.05,;-8.33,3.74,;-7,4.51,;-5.67,3.75,;-5.66,2.21,;-4.33,4.52,;-4.34,6.06,;-3,3.75,;-2.4,2.34,;-3.33,1.11,;-4.86,1.3,;-2.73,-.31,;-3.66,-1.53,;-5,-.77,;-6.33,-1.54,;-7.73,-.92,;-8.76,-2.06,;-7.99,-3.4,;-6.48,-3.07,;-3.66,-3.08,;-5,-3.85,;-2.33,-3.85,;-2.33,-5.39,;-3.66,-6.16,;-3.66,-7.7,;-5,-8.46,;-5,-10,;-3.67,-10.77,;-2.33,-10,;-2.34,-8.46,;-1,-6.16,;-1,-7.7,;.34,-5.39,;1.67,-6.16,;1.67,-7.7,;.34,-8.47,;.34,-10.01,;-1,-10.78,;-1,-12.32,;-2.33,-13.09,;.34,-13.09,;3,-5.39,;4.34,-6.16,;3,-3.85,;4.34,-3.08,;5.67,-3.85,;7.01,-3.08,;7.16,-1.56,;8.67,-1.24,;9.44,-2.57,;10.95,-2.88,;11.43,-4.34,;10.4,-5.5,;8.89,-5.18,;8.41,-3.71,;4.34,-1.54,;3,-.77,;5.67,-.77,;5.67,.77,;4.34,1.54,;4.34,3.08,;1.59,3.18,;.06,3.38,;-.54,4.79,;.39,6.02,;-2.07,4.99,;-2.66,6.41,;7.01,1.54,;8.34,.77,;7.01,3.08,;8.34,3.85,;9.67,3.08,;11.01,3.85,;11.01,5.39,;12.34,3.08,;8.34,5.39,;7.01,6.16,;9.67,6.16,;9.67,7.7,;8.34,8.47,;8.34,10.01,;9.68,10.78,;9.68,12.32,;8.34,13.09,;7.01,12.31,;7.01,10.77,;11.01,8.47,;11.01,10.01,;12.34,7.7,)|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:5.5,1.0,78.83,66.79,55.66,37.39,97.102,wD:22.22,41.55,89.94,(17.54,.39,;18.85,-.37,;20.18,.39,;20.18,1.92,;18.85,2.7,;21.5,2.69,;21.5,4.24,;22.81,1.93,;22.81,.41,;21.51,-.37,;21.53,-1.91,;22.87,-2.67,;22.87,-4.2,;24.18,-1.88,;24.18,-.35,;18.85,-1.92,;20.2,-2.69,;17.54,-2.68,;17.54,-4.23,;16.23,-4.98,;14.91,-4.23,;16.23,-6.53,;14.91,-7.3,;13.6,-6.53,;12.26,-7.31,;12.29,-8.88,;10.96,-9.65,;9.62,-8.89,;9.61,-7.35,;10.94,-6.57,;14.91,-8.85,;16.26,-9.62,;13.6,-9.6,;13.6,-11.15,;12.3,-11.91,;12.3,-13.47,;10.99,-14.22,;10.99,-15.77,;9.67,-16.53,;8.36,-15.77,;8.36,-14.26,;7.02,-16.55,;7.02,-18.1,;8.36,-18.88,;9.61,-17.94,;10.87,-18.83,;10.39,-20.31,;11.18,-21.63,;10.42,-22.98,;8.88,-22.99,;8.1,-21.66,;8.85,-20.32,;5.7,-15.79,;4.36,-16.57,;4.36,-18.12,;3.05,-15.81,;3.05,-14.3,;4.36,-13.54,;4.36,-11.99,;5.67,-11.23,;5.67,-9.68,;4.33,-8.91,;6.98,-8.93,;1.71,-16.59,;.4,-15.83,;.4,-14.32,;-.95,-16.61,;-.95,-18.16,;.4,-18.93,;1.74,-18.14,;3.07,-18.9,;3.08,-20.45,;4.42,-21.21,;1.76,-21.23,;.42,-20.46,;-2.26,-15.85,;-3.61,-16.63,;-3.61,-18.18,;-4.92,-15.87,;-6.26,-16.65,;-4.92,-14.35,;-3.61,-13.6,;-2.21,-14.2,;-1.18,-13.04,;-1.97,-11.71,;-3.47,-12.05,;12.33,-16.55,;12.33,-18.07,;13.67,-15.77,;14.98,-16.53,;14.98,-18.05,;16.33,-18.82,;17.67,-18.05,;16.33,-20.33,;16.33,-15.75,;16.33,-14.2,;17.64,-16.51,;18.98,-15.73,;18.98,-14.18,;20.3,-13.43,;21.63,-14.17,;22.95,-13.39,;22.94,-11.85,;21.61,-11.09,;20.27,-11.87,;20.3,-16.49,;21.64,-15.71,;20.3,-18.01,)|
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:69.75,8.20,58.71,89.95,wD:48.59,22.31,33.48,4.4,97.103,74.80,(28.82,-7.95,;30.15,-7.19,;30.15,-5.65,;28.82,-4.88,;28.82,-3.34,;27.48,-2.57,;26.15,-3.35,;26.15,-4.89,;24.82,-2.58,;24.82,-1.03,;26.22,-.4,;27.48,-1.28,;28.71,-.35,;28.21,1.11,;28.95,2.45,;28.16,3.77,;26.62,3.74,;25.87,2.4,;26.66,1.08,;23.48,-3.34,;22.13,-2.59,;22.13,-1.04,;20.8,-3.36,;20.8,-4.9,;22.13,-5.67,;22.13,-7.21,;23.47,-7.98,;23.47,-9.52,;22.16,-10.27,;24.84,-10.28,;19.47,-2.57,;18.15,-3.35,;18.15,-4.88,;16.82,-2.57,;16.82,-1.03,;18.15,-.26,;19.48,-1.03,;20.81,-.26,;20.82,1.28,;22.15,2.06,;22.15,3.6,;20.8,4.36,;19.47,3.58,;19.48,2.05,;18.14,1.28,;15.48,-3.33,;14.14,-2.57,;14.14,-1.02,;12.8,-3.34,;12.8,-4.88,;14.14,-5.65,;15.55,-5.02,;16.59,-6.17,;15.81,-7.5,;14.31,-7.18,;11.47,-2.57,;10.13,-3.32,;10.13,-4.86,;8.81,-2.55,;8.81,-1.01,;10.13,-.25,;11.47,-1.01,;12.81,-.24,;12.8,1.31,;11.47,2.07,;10.14,1.3,;7.47,-3.33,;6.13,-2.55,;6.13,-1.01,;4.8,-3.33,;4.8,-4.87,;3.47,-2.56,;2.12,-3.32,;2.13,-4.86,;.8,-2.54,;.81,-1,;-.54,-3.3,;-1.86,-2.52,;-1.85,-.98,;-.51,-.23,;-3.18,-.2,;-4.52,-.96,;-5.84,-.18,;-4.53,-2.49,;-3.2,-3.27,;-3.21,-4.81,;30.15,-2.57,;30.15,-1.03,;31.49,-3.34,;32.82,-2.57,;32.82,-1.02,;34.15,-.26,;35.48,-1.03,;34.15,1.29,;34.15,-3.34,;34.15,-4.88,;35.49,-2.57,;36.82,-3.34,;36.82,-4.88,;38.16,-5.65,;39.5,-4.87,;40.83,-5.65,;40.84,-7.18,;39.5,-7.95,;38.16,-7.19,;38.16,-2.57,;39.49,-3.33,;38.16,-1.02,)|
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:8.20,58.71,93.99,78.84,wD:73.79,48.59,22.31,33.48,4.4,101.107,(24.59,-5.48,;25.93,-4.72,;25.93,-3.18,;24.59,-2.4,;24.59,-.86,;23.26,-.1,;21.93,-.87,;21.93,-2.41,;20.59,-.11,;20.59,1.44,;22,2.07,;23.25,1.19,;24.48,2.12,;23.98,3.58,;24.73,4.92,;23.94,6.24,;22.4,6.22,;21.65,4.87,;22.44,3.55,;19.25,-.87,;17.91,-.12,;17.91,1.43,;16.57,-.89,;16.57,-2.43,;17.91,-3.2,;17.91,-4.73,;19.24,-5.51,;19.24,-7.05,;17.93,-7.8,;20.61,-7.81,;15.25,-.1,;13.92,-.87,;13.92,-2.41,;12.59,-.1,;12.6,1.44,;13.92,2.21,;15.26,1.44,;16.59,2.21,;16.6,3.75,;17.93,4.53,;17.92,6.07,;16.58,6.84,;15.25,6.06,;15.26,4.52,;13.92,3.75,;11.26,-.86,;9.92,-.1,;9.92,1.45,;8.58,-.87,;8.58,-2.41,;9.92,-3.18,;11.32,-2.55,;12.36,-3.69,;11.59,-5.03,;10.08,-4.71,;7.25,-.09,;5.91,-.85,;5.91,-2.39,;4.58,-.08,;4.58,1.46,;5.91,2.23,;7.25,1.47,;8.58,2.24,;8.58,3.78,;7.24,4.55,;5.91,3.78,;3.25,-.85,;1.92,-.07,;1.92,1.47,;.58,-.85,;-.75,-.07,;-2.08,-.85,;-2.08,-2.38,;-3.41,-.07,;-3.41,1.47,;-4.75,-.84,;-6.09,-.08,;-6.09,1.47,;-7.42,-.86,;-7.4,-2.4,;-8.75,-.1,;-10.08,-.88,;-10.06,-2.42,;-8.72,-3.17,;-11.4,-3.2,;-12.73,-2.44,;-14.07,-3.22,;-12.76,-.9,;-11.41,-.13,;-11.43,1.41,;25.93,-.09,;25.93,1.45,;27.26,-.87,;28.59,-.09,;28.59,1.45,;29.93,2.21,;31.25,1.45,;29.93,3.76,;29.93,-.87,;29.93,-2.4,;31.26,-.1,;32.6,-.87,;32.6,-2.4,;33.93,-3.17,;35.28,-2.4,;36.61,-3.17,;36.61,-4.71,;35.27,-5.48,;33.94,-4.71,;33.93,-.1,;35.27,-.86,;33.93,1.45,)|
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
C[C@H]1CN(CCC(=O)Nc2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
CCCCOc1ccc(cc1)-c1nn2c(C)cc(C)nc2c1CC(=O)N(CC)CC
CCCOc1ccc(cc1)-c1nn2c(C)cc(C)nc2c1CC(=O)N(CC)CC
CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CC1)N(C(=O)CC)c1ccccc1 |r|
CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1 |r|
CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)N(C(=O)CC)c1ccccc1 |r|
CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)N(C(=O)CC)c1ccccc1 |r|
CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CC1)N(C(=O)CC)c1ccccc1 |r|
CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1 |r|
CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1 |r|
CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1 |r|
CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)N(C(=O)CC)c1ccccc1 |r|
CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1 |r|
CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1 |r|
CC1(C)CN(CCN1)c1nc2ccccc2n1C1CCN(CC1)C1(CO)CCCCCCC1
OCC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)N1CC2CN(Cc3ccccc3)CC2C1
OCC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)N1CC2CNCC2C1
OCC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1ccc(Cl)cc1
CC1CN(CCN1)c1nc2ccccc2n1C1CCN(CC1)C1(CO)CCCCCCC1
CN1CCN(CC1)c1nc2ccccc2n1C1CCN(CC1)C1(CO)CCCCCCC1
COC(=O)C1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)N1CCN(C)CC1
OCC1(CCCCCCC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5CC(C=C1)C2[C@@]34CCN5C |r,c:32,38,44,TLB:48:47:37:39.40.43|
CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5CC(C=C1)C2[C@@]34CCN5C |r,c:37,43,49,TLB:53:52:42:44.45.48|
CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r|
CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(O)=O |r|
Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc2sc(N)nc2cc31 |r,TLB:0:1:12.21.11:9|
Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CCCF)cc2s1 |r|
Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4C[C@@H]3CCCO3)cc2s1 |r|
CNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r|
CCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r|
FC(F)(F)CNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r,THB:23:22:11.10.12:14|
CCCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r|
CC(=O)Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r|
C(C1CC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc2sc(Nc4ccccc4)nc2cc31 |r,TLB:0:4:15.30.14:12|
C(Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1)c1ccccc1 |r,THB:19:18:7.6.8:10|
CNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CCCF)cc2s1 |r|
CC(=O)Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CCCF)cc2s1 |r|
CCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CCCF)cc2s1 |r|
CCCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CCCF)cc2s1 |r|
CN(C)c1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CCCF)cc2s1 |r|
COc1cccc(CNc2nc3cc4c(C[C@@H]5[C@@H]6CCCC[C@]46CCN5CC4CC4)cc3s2)c1 |r,THB:26:25:14.13.15:17|
Oc1cccc(CNc2nc3cc4c(C[C@@H]5[C@@H]6CCCC[C@]46CCN5CC4CC4)cc3s2)c1 |r,THB:25:24:13.12.14:16|
CCNC(=S)Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r,THB:23:22:11.10.12:14|
C(C1CC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc2sc(Nc4ccccn4)nc2cc31 |r,TLB:0:4:15.30.14:12|
C(C1CC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc2sc(NN4CCNCC4)nc2cc31 |r,TLB:0:4:15.30.14:12|
CN(C)c1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r,THB:20:19:8.7.9:11|
CN(C(C)=O)c1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r|
CCN(C(C)=O)c1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r,THB:23:22:11.10.12:14|
CNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CCC3)cc2s1 |r|
CCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CCC3)cc2s1 |r|
Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccc(I)c1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccc(I)c1 |r|
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@H]4NC(=O)c1cccc(I)c1)ccc5O |r|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1cccc(c1)C(F)(F)F |r|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1cccc(OC(F)(F)F)c1 |r|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1ccoc1 |r|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1ccco1 |r|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1ccsc1 |r|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1ccccc1 |r|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)\C=C/c1ccoc1 |r|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1cccc(OC)c1 |r|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1ccccc1O |r|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1ccccc1OC |r|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1ccc(O)cc1 |r|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1ccc(OC)cc1 |r|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1cccc(O)c1 |r|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1cccc(c1)C#N |r|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1cccc(c1)C(N)=O |r|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)\C=C\c1ccoc1 |r|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1cccs1 |r|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C[C@]21C)c1ccoc1 |r|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1cc2ccccc2s1 |r|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1cc2ccccc2o1 |r|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)C=CC |r,w:29.32|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1csc2ccccc12 |r|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccco1 |r|
COc1ccccc1CNc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Clc1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r|
C(Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)c1ccc2OCOc2c1 |r|
COc1cccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)c1 |r|
C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(C)cc2)CC1
COc1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r|
C(Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1)c1ccc2OCOc2c1 |r|
[O-][N+](=O)c1cccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)c1 |r|
COc1ccccc1CNc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1 |r|
COc1cccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)c1 |r|
Oc1cccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)c1 |r|
Oc1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r|
Oc1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r|
Oc1ccccc1CNc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1 |r|
Oc1ccccc1CNc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Oc1cccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)c1 |r|
COc1ccc(CN(C)c2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r|
CN(Cc1ccc(Cl)cc1)c1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
COc1ccccc1CN(C)c1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
COc1cccc(CN(C)c2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)c1 |r|
CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(NCc2cccc(O)c2)cc31 |r,TLB:0:1:9:26.12.11|
CN(Cc1cccc(O)c1)c1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
CN(Cc1ccc(O)cc1)c1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
CN[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](C)C(O)=O
CON[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(O)=O
[#6]-[#6@H](-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccc(-[#8])c1)\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccc(-[#8])c1)\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
C[C@H](N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cccc(O)c1)N(C)C)C(O)=O
C[C@H](N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1cccc(O)c1)C(O)=O
[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O)-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccc(-[#8])c1)\[#7]=[#6](/[#7])-[#7]
C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O |r|
C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(N)=O |r|
C[C@@H](N(C)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(N)=O
C[C@@H](N1Cc2cc(O)ccc2C[C@H](N)C1=O)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O
C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O |r|
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)N[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r|
Cc1cc(cc(C)c1C[C@H](N)C(=O)N1CCCC[C@H]1c1nc(c[nH]1)-c1ccccc1)C(N)=O
C[C@H](N(Cc1cccc(c1)C(O)=O)C(=O)[C@@H](N)Cc1c(C)cc(cc1C)C(N)=O)c1nc(c[nH]1)-c1ccccc1 |r|
COc1ccc(CN(C(C)c2nc(c[nH]2)-c2ccccc2)C(=O)C(N)Cc2c(C)cc(cc2C)C(N)=O)cc1C(O)=O
CC(C)N([C@@H](C)c1nc(c[nH]1)-c1ccccc1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
C[C@H](N(Cc1ccccc1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc(c[nH]1)-c1ccccc1 |r|
C[C@H](N(Cc1ccccc1)C(=O)[C@@H](N)Cc1c(C)cc(cc1C)C(N)=O)c1nc(c[nH]1)-c1ccccc1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCCC[C@H]1c1nc(c[nH]1)-c1ccccc1
Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1)C(N)=O
CC(C)C[C@H](CN(C=O)[C@@H](CN(CCN(CCN(C=O)[C@@H](CN)Cc1ccc(O)cc1)C=O)C=O)Cc1ccccc1)NS(C)(=O)=O |r|
CCCCCCCCC(N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O |r|
CCCCCCCCC(N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O |r|
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1cccc2ccccc12 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccc2ccccc2c1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccccc1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccccc1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=C)C(=O)N[C@H](C(=C)C(N)=O)c1ccccc1)c1ccccc1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccc(F)cc1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccc(Cl)cc1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1cccc(Cl)c1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccccc1Cl |r|
COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=C)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccc2OCOc2c1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccoc1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H](N)C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(O)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N2 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1NC12CC3CC(CC(C3)C1)C2 |TLB:28:29:33:27.26.32,THB:28:27:33:29.34.30,30:29:26:31.33.32,30:31:26:29.34.28|
CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1NC12CC3CC(CC(C3)C1)C2 |TLB:34:29:36:33.35.32,34:33:36:29.28.30,THB:32:33:28:31.36.30,32:31:28:33.35.34|
CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1CC(C(O)=O)c2ccccc2C1
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r|
NC(=O)[C@H]1CC(=O)NCCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 |r|
CC(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
CC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
CC(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OC\C=C\c1ccccc1)ccc5O |r|
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OCCCc1ccccc1)ccc5O |r|
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OCc1ccccc1)ccc5O |r|
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OC(=O)CCc1ccccc1)ccc5O |r|
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OC(=O)Cc1ccccc1)ccc5O |r|
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OC(=O)c1ccccc1)ccc5O |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35OC(=O)CCc1ccccc1)-c1ccc(Cl)cc1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35OC(=O)Cc1ccccc1)-c1ccc(Cl)cc1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35OC(=O)c1ccccc1)-c1ccc(Cl)cc1 |r|
CO[C@]12Cc3cc(cnc3[C@@H]3Oc4c5c(C[C@H]1N(C)CC[C@@]235)ccc4O)-c1ccc(Cl)cc1 |r|
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1cc(cnc41)-c1ccc(Cl)cc1)ccc5O |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35OCCCc1ccccc1)-c1ccc(Cl)cc1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35OC\C=C\c1ccccc1)-c1ccc(Cl)cc1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35OCc1ccccc1)-c1ccc(Cl)cc1 |r|
CO[C@]12Cc3cc(cnc3[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O)-c1ccc(Cl)cc1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C=C35)-c1ccc(Cl)cc1 |r,t:30|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccncn1 |r|
COc1cc(ccn1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
COc1cnccc1C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccnc(c1)C#N |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccnnc1 |r|
CCCN(CCc1ccccc1)CCc1cccc(O)c1
CCCCN(CCc1ccccc1)CCc1cccc(O)c1
CCCCCCN(CCc1ccccc1)CCc1cccc(O)c1
Oc1cccc(CCN(CCc2ccccc2)CC2CC2)c1
Oc1cccc(CCN(CCc2ccccc2)CC2CCC2)c1
CCCCCN(CCc1ccccc1)CCc1cccc(O)c1
OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccccn1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11|
[#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#8])C([#6])([#6])[#6])-[#6](-[#6])-[#6])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O
CC(C)CNCc1ccc(cc1)N1CCCc2cc(ccc12)C(N)=O
NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNC2Cc3ccccc3C2)c(Cl)c1
NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNC2Cc3ccccc3C2)c(c1)C(F)(F)F
CC(C)CCNCc1ccc(cc1)N1CCCc2cc(ccc12)C(N)=O
Cc1cc(CNC2Cc3ccccc3C2)ccc1N1CCCc2cc(ccc12)C(N)=O
NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNCCC2=CCCCC2)cc1 |t:23|
CC(C)(C)CCNCc1ccc(cc1)N1CCCc2cc(ccc12)C(N)=O
NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNCc2cccc(F)c2)cc1
NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNCCc2cccs2)cc1
Cc1cc(ccc1CNCCC1=CCCCC1)N1CCCc2cc(ccc12)C(N)=O |t:12|
Cc1cc(CNCCC2=CCCCC2)ccc1N1CCCc2cc(ccc12)C(N)=O |t:8|
OC(=O)c1ccc2N(CCCc2c1)c1ccc(CNCCC2=CCCCC2)cc1 |t:23|
CCCCCNCc1ccc(cc1)N1CCCc2cc(ccc12)C(N)=O
C(CC1=CCCCC1)NCc1ccc(cc1)N1CCCc2ccccc12 |t:2|
NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNCC2CCCCC2)cc1
CC1(C)CCC(CC1)NCc1ccc(cc1)N1CCCc2cc(ccc12)C(N)=O
NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNCCc2cccc(F)c2)cc1
NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNC2Cc3ccc(F)cc3C2)cc1
NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNC2Cc3ccccc3C2)cc1
Cc1cc(ccc1CNC1Cc2ccccc2C1)N1CCCc2cc(ccc12)C(N)=O
NC(=O)c1ccc2N(CCCc2c1)c1cccc(c1)C(=O)NCCC1=CCCCC1 |t:27|
NC(=O)c1ccc2N(CCCc2c1)c1cc(F)c(CNC2Cc3ccccc3C2)c(F)c1
NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNC2Cc3ccccc3C2)c(F)c1
NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNCCC2CCOCC2)cc1
NC(=O)c1ccc2N(CCCc2c1)c1cccc(CNCCC2=CCCCC2)c1 |t:24|
NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNC2CCN(CC2)C2CCOCC2)cc1
c1ccc(cc1)CN2CCC[C@@H]2C(=O)NCCCN3CCC(CC3)c4c(cccc4Cl)Cl
CN(C)C(=O)C(CN1CCC2(CC1)OCCc1cc(Cl)sc21)Cc1ccccc1Cl
CN(C)C(=O)C(CN1CCC2(CC1)OCCc1ccsc21)Cc1ccccc1Cl
CN(C)C(=O)C(CN1CCC2(CC1)OCCc1ccsc21)Cc1ccccc1F
CN(C)C(=O)C(CN1CCC2(CC1)OCCc1cc(Cl)sc21)Cc1ccccc1F
CN(C)C(=O)C(CN1CCC2(CC1)OCCc1ccsc21)Cc1c(F)cccc1F
O=C1NCN(c2ccccc2)C11CCN(CC1)[C@H]1CC[C@@H]2CCCc3cccc1c23 |r|
CN(C)C(=O)C(CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1Cl
CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)[C@@H]2Cc3cccc4cccc2c34)c1=O |r|
Cc1cccc2C(O)CC(CN3CCC(CC3)c3c(Cl)cccc3Cl)CCc12
COC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3cccc4ccccc34)CC2)C1=O
CN(C)C(=O)C(CN1CCC2(CC1)OCc1ccc(F)cc21)Cc1cscn1
CN(C)C(=O)C(CN1CCC2(CC1)OCCc1ccsc21)Cn1cccn1
CN(C)C(=O)[C@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1F |r|
[H][C@]1(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(=O)NC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)[C@@H](C)CC |r|
O=C(Nc1cccc(NC(=O)c2cccc(c2)N2CCCCC2)c1)c1cccc(OC2CCN(CC3CC3)CC2)c1
CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CCC(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:26.25:4.3|
CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:4.3:25.24|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccccc1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccccc1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(O)=O)c1ccco1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(O)=O)c1ccccc1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CC[C@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccccc1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CC[C@@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CC[C@@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccccc1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CC[C@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cn1)-c1ccccc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(nc1)-c1ccccc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccn1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1cccnc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccncc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Cc1cccc(C)c1C[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCCC(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O
Cc1cccc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O
Cc1cccc(C)c1C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCCC(N)=O
Cc1cccc(C)c1C[C@@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O
Cc1cccc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c(C)cccc1C)C(=O)NCCC(N)=O
N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
CN1CC2C(N(C)C(C(C1)C2=O)c1ccccn1)c1ccccn1 |TLB:18:4:10:1.2.9,11:10:5.7.4:1.2.9,6:5:10:1.2.9,THB:12:7:10:1.2.9,0:1:10:5.7.4|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)\C=C\c4ccc(cc4)C(F)(F)F)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)\C=C\c4cc(ccc4C(F)(F)F)C(F)(F)F)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)\C=C\c4cccnc4)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)\C=C\c4ccsc4)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)C=C)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12[#6]-[#6][C@@]3([#6])[#6@@H](-[#6]-[#6@H](-[#8]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#6](=O)[C@]3([H])[C@@]1([#6])[#6]-[#6@H](-[#8]-[#6]2=O)-c1ccoc1)-[#6](=O)-[#8]-[#6] |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)CC(C)=C)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)\C=C\C)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)CC=C)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)C(\C)=C\C)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)C(C)C=C)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)\C=C\c4ccccc4)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)\C=C\c4ccccc4OC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)\C=C\c4ccc(OC)cc4)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)\C=C\c4cc(OC)ccc4OC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)\C=C\c4ccc(OC)cc4OC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)\C=C\c4cc(OC)c(OC)c(OC)c4)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)\C=C\c4ccc5OCOc5c4)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)\C=C\c4ccccc4[N+]([O-])=O)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)\C=C\c4ccc(cc4)[N+]([O-])=O)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)\C=C\c4ccccc4C(F)(F)F)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(O)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCNC(=O)[C@H](N)Cc1c(C)cc(O)cc1C
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCNC(=O)[C@H](N)Cc1ccc(O)cc1
N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCNC(=O)[C@H](N)Cc1ccc(O)cc1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCCCCCNC(=O)[C@H](N)Cc1c(C)cc(O)cc1C
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCCCNC(=O)[C@H](N)Cc1c(C)cc(O)cc1C
N[C@@H](Cc1ccccc1)C(=O)NCCCCNC(=O)[C@H](N)Cc1ccccc1
N[C@@H](Cc1ccc(O)cc1)C(=O)NCCNC(=O)[C@H](N)Cc1ccc(O)cc1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCNC(=O)[C@H](N)Cc1ccccc1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCNC(=O)[C@H](N)Cc1c(C)cc(O)cc1C
N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCNC(=O)[C@H](N)Cc1ccc(O)cc1
N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCCNC(=O)[C@H](N)Cc1ccc(O)cc1
[H][C@]12O[C@@](C)(c3ccccc3O)[C@]3([H])O[C@@](C)(c4ccccc4O)[C@]([H])(O[C@@]1(C)c1ccccc1O)N23 |r|
[H][C@]12O[C@@](C)(c3ccccc3O)[C@]3([H])O[C@@](C)(c4ccccc4O)[C@]([H])(O[C@]1(C)c1ccccc1O)N23 |r|
[H][C@]12O[C@](C)(c3ccccc3O)[C@]3([H])O[C@@](C)(c4ccccc4O)[C@]([H])(O[C@]1(C)c1ccccc1O)N23 |r|
[H][C@]12O[C@@](C)(c3ccc(O)cc3)[C@]3([H])O[C@@](C)(c4ccc(O)cc4)[C@]([H])(O[C@@]1(C)c1ccc(O)cc1)N23 |r|
[H][C@]12O[C@@](C)(c3ccc(O)cc3)[C@]3([H])O[C@@](C)(c4ccc(O)cc4)[C@]([H])(O[C@]1(C)c1ccc(O)cc1)N23 |r|
[H][C@]12O[C@](C)(c3ccc(O)cc3)[C@]3([H])O[C@@](C)(c4ccc(O)cc4)[C@]([H])(O[C@]1(C)c1ccc(O)cc1)N23 |r|
[H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@@]3(C)c1ccccc1O)[C@@](C)(O2)c1ccccc1O |r|
[H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@@]3(C)c1ccccc1O)[C@](C)(O2)c1ccccc1O |r|
[H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@]3(C)c1ccccc1O)[C@@](C)(O2)c1ccccc1O |r|
[H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@]3(C)c1ccccc1O)[C@](C)(O2)c1ccccc1O |r|
[H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@@]3(C)c1ccc(O)cc1)[C@@](C)(O2)c1ccc(O)cc1 |r|
[H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@@]3(C)c1ccc(O)cc1)[C@](C)(O2)c1ccc(O)cc1 |r|
[H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@]3(C)c1ccc(O)cc1)[C@@](C)(O2)c1ccc(O)cc1 |r|
[H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@]3(C)c1ccc(O)cc1)[C@](C)(O2)c1ccc(O)cc1 |r|
[H][C@]12CO[C@]3([H])N1[C@]([H])(CO2)O[C@@]3(C)c1ccccc1O |r|
[H][C@]12CO[C@]3([H])N1[C@]([H])(CO2)O[C@]3(C)c1ccccc1O |r|
[H][C@]12CO[C@]3([H])N1[C@]([H])(CO2)O[C@@]3(C)c1ccc(O)cc1 |r|
[H][C@]12CO[C@]3([H])N1[C@]([H])(CO2)O[C@]3(C)c1ccc(O)cc1 |r|
N[C@@H](CCCNC(N)=N)C(=O)NCC1(CCN(Cc2ccccc2)CC1)Nc1ccccc1 |r|
NC(=N)NCC(=O)NCC1(CCN(Cc2ccccc2)CC1)Nc1ccccc1
NC(=N)NCC(=O)NCC1(CCN(Cc2ccccc2)CC1)Nc1cccc2ccccc12
COc1cc(NC2(CNC(=O)CNC(N)=N)CCN(Cc3ccccc3)CC2)cc(OC)c1
NC(=N)NCC(=O)NCC1(Cc2ccccc2)CCN(Cc2ccccc2)CC1
NC(=N)NCCNC(=O)C1(CCN(Cc2ccccc2)CC1)Nc1ccccc1
NC(=N)NCC(=O)NCC1(Cc2cccc3ccccc23)CCN(Cc2ccccc2)CC1
CC(=N)NCCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,TLB:9:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC(C)C[C@H](NC(=O)[C@@](C)(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC(C)C[C@H](NC(=O)[C@@H](CCc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC(C)C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC(C)C[C@H](NC(=O)[C@@]1(CCc2ccccc2C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC(C)C[C@H](NC(=O)[C@]1(CCc2ccccc2C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC(C)C[C@H](NC(=O)C1(Cc2ccccc2C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
[H][C@]12CC[C@]([H])(CC1)NC(=O)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C2)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r,wU:43.47,38.43,27.29,16.17,4.4,1.0,wD:12.57,(8.11,-15.49,;9.74,-14.55,;9.73,-16.09,;11.06,-16.86,;12.4,-16.1,;11.46,-17.73,;12.4,-14.56,;11.07,-13.78,;12.42,-19.28,;13.6,-18.35,;14.92,-19.15,;13.63,-16.81,;14.98,-16.07,;15.02,-14.53,;16.37,-13.79,;17.68,-14.58,;16.41,-12.24,;17.75,-11.49,;19.08,-12.28,;19.05,-13.82,;20.37,-14.61,;21.72,-13.86,;21.74,-12.31,;20.41,-11.53,;15.08,-11.47,;13.74,-12.24,;13.74,-13.78,;12.41,-11.47,;12.41,-9.93,;13.74,-9.16,;15.08,-9.94,;16.42,-9.16,;16.42,-7.62,;15.08,-6.85,;13.74,-7.62,;11.07,-12.24,;9.74,-11.47,;9.74,-9.93,;8.41,-12.24,;8.41,-13.78,;7.07,-11.47,;5.74,-12.24,;5.74,-13.78,;4.41,-11.47,;3.07,-12.24,;4.41,-9.93,;5.74,-9.16,;7.08,-9.94,;8.41,-9.16,;8.41,-7.62,;9.75,-6.85,;7.08,-6.85,;5.74,-7.62,;16.3,-16.87,;16.27,-18.41,;17.65,-16.12,)|
[H][C@]12CC[C@@]([H])(CC1)NC(=O)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C2)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r,wU:43.47,38.43,27.29,16.17,1.0,wD:12.57,4.4,(8.11,-15.49,;9.74,-14.55,;9.73,-16.09,;11.06,-16.86,;12.4,-16.1,;11.46,-17.73,;12.4,-14.56,;11.07,-13.78,;12.42,-19.28,;13.6,-18.35,;14.92,-19.15,;13.63,-16.81,;14.98,-16.07,;15.02,-14.53,;16.37,-13.79,;17.68,-14.58,;16.41,-12.24,;17.75,-11.49,;19.08,-12.28,;19.05,-13.82,;20.37,-14.61,;21.72,-13.86,;21.74,-12.31,;20.41,-11.53,;15.08,-11.47,;13.74,-12.24,;13.74,-13.78,;12.41,-11.47,;12.41,-9.93,;13.74,-9.16,;15.08,-9.94,;16.42,-9.16,;16.42,-7.62,;15.08,-6.85,;13.74,-7.62,;11.07,-12.24,;9.74,-11.47,;9.74,-9.93,;8.41,-12.24,;8.41,-13.78,;7.07,-11.47,;5.74,-12.24,;5.74,-13.78,;4.41,-11.47,;3.07,-12.24,;4.41,-9.93,;5.74,-9.16,;7.08,-9.94,;8.41,-9.16,;8.41,-7.62,;9.75,-6.85,;7.08,-6.85,;5.74,-7.62,;16.3,-16.87,;16.27,-18.41,;17.65,-16.12,)|
[H][C@]12CC[C@]([H])(CC1)NC(=O)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C2)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O |r,wU:43.47,38.43,27.29,16.17,4.4,1.0,wD:12.59,(9.15,-12.58,;10.78,-11.64,;10.78,-13.18,;12.1,-13.95,;13.44,-13.19,;12.5,-14.82,;13.44,-11.65,;12.11,-10.87,;13.46,-16.37,;14.64,-15.44,;15.96,-16.24,;14.68,-13.9,;16.03,-13.16,;16.06,-11.62,;17.41,-10.88,;18.73,-11.68,;17.45,-9.33,;18.8,-8.58,;20.12,-9.37,;20.09,-10.91,;21.42,-11.7,;22.76,-10.95,;22.78,-9.4,;21.46,-8.62,;16.12,-8.56,;14.78,-9.33,;14.78,-10.87,;13.45,-8.56,;13.45,-7.02,;14.78,-6.25,;16.12,-7.03,;17.46,-6.25,;17.46,-4.71,;16.12,-3.94,;14.78,-4.71,;12.12,-9.33,;10.78,-8.56,;10.78,-7.02,;9.45,-9.33,;9.45,-10.87,;8.12,-8.56,;6.78,-9.33,;6.78,-10.87,;5.45,-8.56,;4.11,-9.33,;5.45,-7.02,;4.11,-6.25,;2.79,-7.03,;2.8,-8.57,;1.46,-6.26,;1.45,-4.71,;.12,-3.95,;2.79,-3.94,;4.12,-4.71,;5.46,-3.95,;17.34,-13.96,;17.31,-15.5,;18.7,-13.22,)|
[H][C@]12CC[C@@]([H])(CC1)NC(=O)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C2)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O |r,wU:43.47,38.43,27.29,16.17,1.0,wD:12.59,4.4,(9.15,-12.58,;10.78,-11.64,;10.78,-13.18,;12.1,-13.95,;13.44,-13.19,;12.5,-14.82,;13.44,-11.65,;12.11,-10.87,;13.46,-16.37,;14.64,-15.44,;15.96,-16.24,;14.68,-13.9,;16.03,-13.16,;16.06,-11.62,;17.41,-10.88,;18.73,-11.68,;17.45,-9.33,;18.8,-8.58,;20.12,-9.37,;20.09,-10.91,;21.42,-11.7,;22.76,-10.95,;22.78,-9.4,;21.46,-8.62,;16.12,-8.56,;14.78,-9.33,;14.78,-10.87,;13.45,-8.56,;13.45,-7.02,;14.78,-6.25,;16.12,-7.03,;17.46,-6.25,;17.46,-4.71,;16.12,-3.94,;14.78,-4.71,;12.12,-9.33,;10.78,-8.56,;10.78,-7.02,;9.45,-9.33,;9.45,-10.87,;8.12,-8.56,;6.78,-9.33,;6.78,-10.87,;5.45,-8.56,;4.11,-9.33,;5.45,-7.02,;4.11,-6.25,;2.79,-7.03,;2.8,-8.57,;1.46,-6.26,;1.45,-4.71,;.12,-3.95,;2.79,-3.94,;4.12,-4.71,;5.46,-3.95,;17.34,-13.96,;17.31,-15.5,;18.7,-13.22,)|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
C[C@H]([C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1
C[C@H]([C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccccc1
C[C@@H]([C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1
C[C@@H]([C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1
C[C@H]([C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccccc1
C[C@@H]([C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1
C[C@@H]([C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1
C[C@@H]([C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccccc1
C[C@H]([C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1
C[C@H]([C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1
C[C@H]([C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1
C[C@@H]([C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccccc1
CO[C@@]12CCC(=O)CC11CCN(CC3CC3)[C@@H]2Cc2cccc(OCc3ccccc3)c12 |TLB:12:11:2:31.18.17|
CCCCCCOc1cccc2C[C@H]3N(CC4CC4)CCC4(CC(=O)CC[C@@]34OC)c12 |TLB:15:14:27:30.11.12|
CO[C@@]12CCC(=O)CC11CCN(CC3CC3)[C@@H]2Cc2cccc(OC(=O)\C=C\c3ccccc3)c12 |TLB:12:11:2:34.18.17|
CO[C@@]12CCC(=O)CC11CCN(CC3CC3)[C@@H]2Cc2cccc(OCCCc3ccccc3)c12 |TLB:12:11:2:33.18.17|
CCCCOc1cccc2C[C@H]3N(CC4CC4)CCC4(CC(=O)CC[C@@]34OCCCc3ccccc3)c12 |TLB:13:12:25:36.9.10|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(C)C(=O)CC1)ccc3O |r,c:20,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)CC1)ccc3O |r,c:20,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(C)C(=O)[C@H](CCO)C1)ccc3O |r,c:20,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(C)C(=O)[C@@H](CCO)C1)ccc3O |r,c:20,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)[C@H](CCO)C1)ccc3O |r,c:20,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)[C@@H](CCO)C1)ccc3O |r,c:20,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)Cc1c(CC(=O)OCC)c(O)n(Cc4ccccc4)c21)ccc3O |r,THB:10:9:14:5.6.4|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)[C@H](C)C1)ccc3O |r,c:24,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)[C@@H](C)C1)ccc3O |r,c:24,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)[C@H](CCO)C1)ccc3O |r,c:24,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)[C@@H](CCO)C1)ccc3O |r,c:24,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)CC1)ccc3O |r,c:24,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1=C2N(CC2CCCCC2)C(=O)CC1)ccc3O |r,c:24,THB:10:9:5.4.6:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c(CC(=O)OCC)c(O)n(Cc4ccccc4)c21)ccc3O |r,THB:10:9:17:4.5.6|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1C2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:20.21,38.40,1.0,wD:16.18,34.43,36.39,TLB:39:38:40:34.33.35,30:31:33:36.40.35,30:31:40:34.33.35,THB:35:34:31:36.37.40,35:36:31:34.33.39,37:38:33:36.40.35,(-1.86,-8.18,;-1.85,-9.72,;-.51,-10.48,;.8,-9.72,;.8,-8.16,;2.13,-7.39,;3.48,-8.16,;4.8,-7.39,;3.48,-9.71,;2.15,-10.48,;-3.19,-10.48,;-4.52,-9.73,;-3.18,-12.04,;-4.42,-12.95,;-3.95,-14.41,;-2.41,-14.39,;-1.93,-12.93,;-.47,-12.45,;.45,-11.09,;.68,-13.49,;2.14,-13,;2.45,-11.48,;3.92,-11.01,;4.24,-9.51,;5.7,-9.02,;6.85,-10.04,;6.53,-11.55,;5.06,-12.04,;3.29,-14.02,;2.98,-15.53,;4.75,-13.53,;6.25,-13.22,;6.82,-11.9,;7.01,-13.51,;8.19,-14.58,;9.57,-13.93,;9.31,-12.31,;8.62,-13.58,;7.36,-14.22,;7.48,-15.98,;8.19,-11.27,)|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2cccnc12
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2cnccc12
CC(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2ncccc2c1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccn1
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccncc1
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2ncccc2c1
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2cnccc12
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccnc1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2cccnc12
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccnc1
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:34:35:39:33.32.38,THB:34:33:39:35.40.36|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2ncccc12
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2ccccc12
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2ncccc12
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cnc2ccccc2c1
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cnc2ccccc2c1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccn1
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccncc1
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2ccccc12
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)CNC1=O)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@H]([C@@H](C1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H]([C@H](C1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CCCc1cnc([nH]1)[C@@H]1Cc2ccccc2N1C(=O)[C@@H](N)CC
Cc1[nH]c(nc1-c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Clc1ccc(CC(=O)N2CCN(Cc3ccccn3)C3CCCC(C23)N2CCCC2)cc1Cl
Cc1nn(c2CC(C)(C)CC(O)c12)-c1ccc(Br)cc1Br
Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(C)cc1Br
Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(Cl)cc1Br
Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(Br)cc1Br
Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(Cl)cc1Cl
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](CCC(O)=O)C(=O)NCCCCCN |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](CCC(O)=O)C(=O)NCCCCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12 |r,wU:10.11,wD:27.29,(9.42,-23.16,;9.42,-24.7,;8.07,-25.47,;8.07,-27.02,;6.73,-27.79,;9.41,-27.78,;10.75,-27.02,;12.09,-27.79,;10.75,-25.47,;12.09,-24.69,;13.43,-25.47,;13.43,-27.01,;14.77,-24.69,;14.77,-23.15,;16.11,-25.47,;16.11,-27.02,;17.44,-27.79,;17.44,-29.33,;18.77,-30.1,;20.11,-29.33,;20.11,-27.79,;18.77,-27.02,;18.77,-25.47,;17.45,-24.7,;17.45,-23.15,;16.1,-22.38,;18.78,-22.38,;18.78,-20.84,;20.12,-20.06,;21.47,-20.84,;22.8,-20.07,;22.8,-18.53,;24.14,-20.85,;17.45,-20.07,;16.12,-20.84,;17.45,-18.53,;16.12,-17.76,;14.78,-18.53,;13.45,-17.76,;12.12,-18.54,;10.78,-17.77,;9.45,-18.54,;8.11,-17.77,;8.11,-16.23,;6.78,-18.54,;5.45,-17.77,;5.45,-16.24,;4.12,-15.47,;2.79,-16.24,;2.79,-17.79,;4.13,-18.55,;1.69,-18.66,;.4,-18.71,;2.09,-20.17,;1.45,-15.47,;1.45,-13.94,;2.78,-13.18,;2.78,-11.64,;1.44,-10.88,;1.44,-9.34,;.12,-11.64,;.13,-13.17,;-1.21,-13.94,;-1.21,-15.47,;-2.54,-16.23,;-2.55,-17.78,;-3.89,-18.54,;-1.21,-18.55,;.12,-17.8,;.13,-16.25,)|
C[C@H]1CN(CC[C@H](O)C2CCCCC2)CC[C@@]1(C)c1ccccc1 |r|
Cc1cc(O)ccc1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCc1cc(O)cc(CC)c1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCc1cc(O)cc(C)c1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)c1cc(O)cc(C(C)C)c1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Cc1cc(C[C@H](N)C(=O)N2CCCC2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c(C)cc1O
CC(C)c1cc(O)cc(C)c1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Cc1cc(O)c(C)c(C)c1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
[H][C@]12O[C@@]1(C)[C@]1(C)CC[C@@H](C)[C@](C)(CCC(C)(O)C=C)[C@@]1([H])C[C@H]2O |r|
COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1
COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(OC)c(OC)c2o1
COc1ccc(cc1OC)-c1cc(=O)c2c(O)c(OC)c(O)cc2o1
COc1cc(ccc1O)-c1cc(=O)c2c(O)c(OC)c(OC)c(OC)c2o1
COc1c(O)c2c(oc(cc2=O)-c2ccc(O)c(O)c2)c(OC)c1OC
COc1c(O)c2c(oc(cc2=O)-c2ccc(O)cc2)c(OC)c1OC
[H][C@]12CC(=O)C=C(C)[C@]1(C)CC[C@@H](C)[C@]2(C)CCC(C)(O)C=C |r,t:5|
O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1cc2ccccc2[nH]1
CS(=O)(=O)c1c[nH]c(c1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
CSc1c[nH]c(c1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1ccc[nH]1
O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1nc2ccccc2s1
O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1cc2ccccc2s1
Cc1ccc(nc1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Clc1ccc(cc1Cl)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1cccc(c1)C#N
Clc1ccc(cc1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Fc1ccc(cc1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Cc1ccc(cc1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C(c1ccccc1)c1ccccc1 |r|
O[C@H]1CCN(CCn2c(NC(=O)c3ccc(Cl)cc3)nc3ccccc23)C1 |r|
Clc1ccc(cc1)C(=O)Nc1nc2cccnc2n1CCN1CCCC1
CS(=O)(=O)c1c[nH]c(c1)C(=O)Nc1nc2cccnc2n1CCN1CCCC1
CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1CCCF |r|
CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(OCCF)cc2CN1 |r|
CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1CCF |r|
CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(OCCCF)cc2CN1 |r|
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)CCN[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CCCCN[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CCN[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)Cc1cc2ccccc2cn1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CCc1cc2ccccc2cn1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CNC(=O)c1cc2ccccc2cn1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cc2ccccc2c(C)n1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cc2cc(ccc2cn1)[N+]([O-])=O)ccc3O |r,TLB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cc2ccc(cc2cn1)[N+]([O-])=O)ccc3O |r,TLB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cc2ccc(cc2cn1)N(C)C)ccc3O |r,TLB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cc2cc(OC)c(OC)cc2cn1)ccc3O |r,TLB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)[C@@H]1Cc2ccccc2CN1C)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)C1Cc2ccc(cc2CN1C)N(C)C)ccc3O |r,TLB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1nc(Cl)c2ccccc2c1OC)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1nc(Cl)c2ccccc2c1O)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1ncc2ccccc2c1O)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1ncc2ccccc2n1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cc2ccccc2c(Cl)n1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cc2ccccc2c(n1)C#N)ccc3O |r,THB:10:9:17:4.5.6|
C[C@@H](NC(=O)C1Cc2cc(O)ccc2CN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
C[C@@H](NC(=O)C1Cc2ccc(O)cc2CN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
C[C@@H](NC(=O)C1Cc2cc(O)ccc2CN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1Cc2cc(O)ccc2CN1
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)C1Cc2ccc(O)cc2CN1)C(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H]1Cc2cc(O)ccc2CN1)C(C)C)C(=O)NCC(N)=O
Cc1cc(O)cc(C)c1C[C@@H](N)CN1Cc2ccccc2C[C@@H](NC(=O)Cc2ccccc2)C1=O
Cc1cc(O)cc(C)c1C[C@H](N)CN1Cc2ccccc2C[C@@H](NC(=O)Cc2ccccc2)C1=O
Cc1cc(O)cc(C)c1C[C@@H](N)CN1Cc2ccccc2C[C@H](NC(=O)Cc2ccccc2)C1=O
Cc1cc(O)cc(C)c1C[C@H](N)CN1Cc2ccccc2C[C@H](NC(=O)Cc2ccccc2)C1=O
[#6]-c1cc(-[#8])cc(-[#6])c1-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H]-1-[#6]-c2ccccc2-[#6]-[#7](-[#6]-[#6](-[#7])=O)-[#6]-1=O |r|
[H][C@@]1(Cc2ccccc2CN(CCC(=O)N(C)Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
[H][C@@]1(Cc2ccccc2CN(CCC(=O)N(C)Cc2ccccc2)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
[H][C@@]1(Cc2ccccc2CN(CCC(=O)N(C)Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
[H][C@@]1(Cc2ccccc2CN(CCC(=O)N(C)Cc2ccccc2)C1=O)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
[H][C@@]1(Cc2ccccc2CN(CC(=O)N(C)Cc2ccccc2)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
[H][C@@]1(Cc2ccccc2CN(CC(=O)NCc2ccccc2)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
[H][C@@]1(Cc2ccccc2CN(CC(=O)N(CC(C)C)Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
[H][C@@]1(Cc2ccccc2CN(CC(=O)N(CC(C)C)Cc2ccccc2)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)CN(C)C(=O)C(Cc1ccccc1)NC(=O)C(CCCNC(N)=N)NC(=O)C(N)Cc1c(C)cc(O)cc1C
CN(CC(=O)N(C)Cc1ccccc1)C(=O)C(Cc1ccccc1)NC(=O)C(CCCNC(N)=N)NC(=O)C(N)Cc1c(C)cc(O)cc1C
[H][C@@]1(Cc2ccccc2CN(CCC(N)=O)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
[#6]-[#7](-[#6]-c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-[#6](=O)-[#6]-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2c(-[#6])cc(-[#8])cc2-[#6])-[#6]-1=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCc2ccccc2C1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(N)=O)Cc1ccccc1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCc2ccccc2C1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCc2ccccc2C1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)NC(Cc1ccc2ccccc2c1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)NC(Cc1ccc(F)cc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(N)=O)Cc1ccccc1
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)[C@H](O)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)[C@@H](O)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(N)=O)Cc1ccccc1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)[C@H](O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCc2ccccc2C1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCc2ccccc2C1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCc2ccccc2C1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCc2ccccc2C1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(N)=O)Cc1ccccc1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCc2ccccc2C1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(N)=O)Cc1ccccc1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCc2ccccc2C1C(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(N)=O)Cc1ccccc1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)[C@H](O)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)[C@@H](O)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(N)=O |r|
[H][C@]12CN(CCc3ccccc3C(F)(F)F)CC[C@@]1(CCCc1ccccc1)c1cc(O)ccc1O2 |r|
[H][C@]12CN(CC3CC3)CC[C@@]1(CCCc1ccccc1)c1cc(O)ccc1O2 |r|
[H][C@]12CN(CC=C)CC[C@@]1(CCCc1ccccc1)c1cc(O)ccc1O2 |r|
[H][C@]12CN(CCc3ccc(cc3)C(F)(F)F)CC[C@@]1(CCCc1ccccc1)c1cc(O)ccc1O2 |r|
[H][C@]12CN(CCCc3ccccc3)CC[C@@]1(CCCc1ccccc1)c1cc(O)ccc1O2 |r|
[H][C@]12CN(CCc3ccccc3F)CC[C@@]1(CCCc1ccccc1)c1cc(O)ccc1O2 |r|
[H][C@]12CN(CCc3ccc(F)cc3)CC[C@@]1(CCCc1ccccc1)c1cc(O)ccc1O2 |r|
[H][C@]12CN(CCc3ccccc3)CC[C@@]1(CCCc1ccccc1)c1cc(O)ccc1O2 |r|
[H][C@]12CN(CCc3cccc(c3)C(F)(F)F)CC[C@@]1(CCCc1ccccc1)c1cc(O)ccc1O2 |r|
[H][C@]12CN(CCc3ccccc3)CC[C@@]1(CCCCc1ccccc1)c1cc(O)ccc1O2 |r|
[H][C@]12CN(CCc3ccc(F)cc3)CC[C@@]1(CCCCc1ccccc1)c1cc(O)ccc1O2 |r|
[H][C@]12CN(CCc3ccccc3F)CC[C@@]1(CCCCc1ccccc1)c1cc(O)ccc1O2 |r|
[H][C@]12CN(CCCc3ccccc3)CC[C@@]1(CCCCc1ccccc1)c1cc(O)ccc1O2 |r|
[H][C@]12CN(CCc3ccc(cc3)C(F)(F)F)CC[C@@]1(CCCCc1ccccc1)c1cc(O)ccc1O2 |r|
[H][C@]12CN(CC3CC3)CC[C@@]1(CCCCc1ccccc1)c1cc(O)ccc1O2 |r|
[H][C@]12CN(CCc3ccccc3C(F)(F)F)CC[C@@]1(CCCCc1ccccc1)c1cc(O)ccc1O2 |r|
[H][C@]12CN(CCCCc3ccccc3)CC[C@@]1(CCCCc1ccccc1)c1cc(O)ccc1O2 |r|
[H][C@]12CN(CCc3cccc(c3)C(F)(F)F)CC[C@@]1(CCCCc1ccccc1)c1cc(O)ccc1O2 |r|
[H][C@]12CN(CCc3ccccc3)CC[C@@]1(CCCCCc1ccccc1)c1cc(O)ccc1O2 |r|
[H][C@]12CN(CCc3ccc(F)cc3)CC[C@@]1(CCCCCc1ccccc1)c1cc(O)ccc1O2 |r|
[H][C@]12CN(CCc3ccccc3F)CC[C@@]1(CCCCCc1ccccc1)c1cc(O)ccc1O2 |r|
[H][C@]12CN(CCc3ccc(cc3)C(F)(F)F)CC[C@@]1(CCCCCc1ccccc1)c1cc(O)ccc1O2 |r|
[H][C@]12CN(CC3CC3)CC[C@@]1(CCCCCc1ccccc1)c1cc(O)ccc1O2 |r|
[H][C@]12CN(CCc3ccccc3C(F)(F)F)CC[C@@]1(CCCCCc1ccccc1)c1cc(O)ccc1O2 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCCCNC(=O)[C@@H](N)Cc1ccccc1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCCCNC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCCCNC(=O)C1Cc2ccccc2CN1
CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(=O)NCCCc1[nH]c(=O)c(CCCNC(=O)C2Cc3ccccc3CN2C(=O)[C@H](Cc2c(C)cc(O)cc2C)N(C)C)nc1C
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCc1[nH]c(=O)c(CCNC(=O)C2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCc1nc(C)c(CCCNC(=O)C2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)[nH]c1=O
CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCCCNC(=O)C1Cc2ccccc2CN1C(=O)[C@H](Cc1c(C)cc(O)cc1C)N(C)C
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCCCCCCCNC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCc1[nH]c(=O)c(CCNC(=O)C2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCCCNC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCc1[nH]c(=O)c(CCCNC(=O)C2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCc1[nH]c(=O)c(CCCCNC(=O)C2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCc1[nH]c(=O)c(CCCNC(=O)C2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCNC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCc1[nH]c(=O)c(CNC(=O)C2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C
CCOC(=O)Cn1c(CNC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc2ccccc12
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2[nH]1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1C
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1CC1CC1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1CC(O)=O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1Cc1ccccc1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1CC=C
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1CC(N)=O
CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2ccc(OCc3ccccc3C(F)(F)F)cc2)C(=O)CC(C)(C)C1 |c:6,11|
CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2ccc(OCc3ccccc3CO)cc2)C(=O)CC(C)(C)C1 |c:6,11|
CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2ccc(OCc3ccccc3S(C)(=O)=O)cc2)C(=O)CC(C)(C)C1 |c:6,11|
CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2ccc(OCc3ccccc3OC(F)(F)F)cc2)C(=O)CC(C)(C)C1 |c:6,11|
CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2ccc(OCc3ccccc3OC(F)F)cc2)C(=O)CC(C)(C)C1 |c:6,11|
CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2ccc(OCc3ccccc3Br)cc2)C(=O)CC(C)(C)C1 |c:6,11|
CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2ccc(OCc3cccc(Cl)c3Cl)cc2)C(=O)CC(C)(C)C1 |c:6,11|
CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2ccc(OCc3ccccc3Cl)cc2)C(=O)CC(C)(C)C1 |c:6,11|
CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2ccc(OCc3ccc(F)cc3)cc2)C(=O)CC(C)(C)C1 |c:6,11|
CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2ccc(OCc3cccc(F)c3)cc2)C(=O)CC(C)(C)C1 |c:6,11|
CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2ccc(OCc3ccccc3F)cc2)C(=O)CC(C)(C)C1 |c:6,11|
Cc1ccc(COc2ccc(cc2)C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1 |c:26,t:15|
Cc1cccc(COc2ccc(cc2)C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)c1 |c:27,t:16|
Cc1ccccc1COc2ccc(cc2)C3C4=C(CC(CC4=O)(C)C)OC5=C3C(=O)CC(C5)(C)C
CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2ccc(OCc3ccccc3)cc2)C(=O)CC(C)(C)C1 |c:6,11|
Cc1[nH]c(nc1-c1ccccc1)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(N)cc1
CS(=O)(=O)Nc1ccc(C[C@H](N)C(=O)N2Cc3ccccc3C[C@H]2c2nc(c[nH]2)-c2ccccc2)cc1
N[C@@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1
N[C@@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1c1nc(c[nH]1)-c1ccccc1
Cc1[nH]c(nc1-c1ccccc1)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(cc1)C#N
COc1ccc(C[C@H](N)C(=O)N2Cc3ccccc3C[C@H]2c2nc(c(C)[nH]2)-c2ccccc2)cc1
N[C@@H](Cc1ccc(cc1)C(O)=O)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1
CC(=O)c1ccc(C[C@H](N)C(=O)N2Cc3ccccc3C[C@H]2c2nc(c[nH]2)-c2ccccc2)cc1
Cc1[nH]c(nc1-c1ccccc1)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(F)cc1
Cc1[nH]c(nc1-c1ccccc1)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCCC[C@H]1c1nc(c[nH]1)-c1ccccc1
N[C@@H](Cc1ccc(cc1)C(N)=O)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1
N[C@@H](Cc1ccc(cc1)S(N)(=O)=O)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1
CC(=O)Nc1ccc(C[C@H](N)C(=O)N2Cc3ccccc3C[C@H]2c2nc(c(C)[nH]2)-c2ccccc2)cc1
N[C@@H](Cc1ccc(cc1)C(N)=O)C(=O)N1CCCC[C@H]1c1nc(c[nH]1)-c1ccccc1
N[C@@H](Cc1ccc(CO)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1
Cc1[nH]c(nc1-c1ccccc1)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccccc1
N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccccc1
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccccc1
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)N1CCC[C@H]1C(N)=O)c1ccccc1
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(N)=O)c1ccccc1
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccccc1
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)c1ccccc1
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)[C@H](O)c1ccc(F)cc1)ccc3O |r,TLB:26:23:16.1:18.19,THB:10:9:17:4.5.6,24:23:16.1:18.19|
CN(C)c1ccc2cc3C(=O)N(CC(NC(=O)CCCCCNC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]4CCCN4C(=O)[C@@H](N)Cc4ccc(O)cc4)C(N)=O)C(=O)c3cc2c1
[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=S)-[#7]=[#6]-1-[#6]=[#6]\[#6](-[#6](=[#6]-1)-[#6](-[#8])=O)=[#6]-1\c2ccc(-[#8])cc2-[#8]-c2cc(-[#8])ccc-12 |w:50.53,c:56,59|
CN(C)c1ccc2cc3C(=O)N(CC(NC(=O)CCCCCNC(=O)[C@H](CCC(O)=O)NC(=O)C4Cc5ccccc5CN4C(=O)[C@@H](N)Cc4c(C)cc(O)cc4C)C(N)=O)C(=O)c3cc2c1
CN(C)c1ccc2cc3C(=O)N(CC(NC(=O)[C@@H]4CCCN4C(=O)[C@@H](N)Cc4ccc(O)cc4)C(=O)N[C@@H](Cc4ccccc4)C(N)=O)C(=O)c3cc2c1
CN(C)c1ccc2cc3C(=O)N(CC(NC(=O)[C@H](CCC(O)=O)NC(=O)C4Cc5ccccc5C(N4)C(=O)[C@@H](N)Cc4c(C)cc(O)cc4C)C(N)=O)C(=O)c3cc2c1
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(F)cc2F)NC1=O)C(N)=O |r|
COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(O)cc2o1
COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1
COc1ccc(cc1OC)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1
Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccccc4)CN4[C@@H](Cc5ccccc5)CN=C4C=C3N2)cc1 |r,c:30,33|
Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccccc4)CN4[C@@H](Cc5ccccc5)CN=C4C=C3N2CCc2ccccc2)cc1 |r,c:30,33|
CC(C)C[C@H]1CN2[C@@H](Cc3ccc(O)cc3)CN3[C@@H](Cc4ccccc4)CN=C3C=C2N1 |r,c:29,32|
CC(C)C[C@H]1CN2[C@@H](Cc3ccc(O)cc3)CN3[C@@H](Cc4ccccc4)CN=C3C=C2N1CCc1ccccc1 |r,c:29,32|
Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccc(O)cc4)CN4[C@@H](Cc5ccccc5)CN=C4C=C3N2)cc1 |r,c:31,34|
Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccc(O)cc4)CN4[C@@H](Cc5ccccc5)CN=C4C=C3N2CCc2ccccc2)cc1 |r,c:31,34|
CC(C)C[C@H]1CN2[C@@H](Cc3ccccc3)CN3[C@H](CN=C3C=C2N1CCc1ccccc1)C(C)C |r,c:20,23|
CC(C)[C@H]1CN=C2C=C3N(CCc4ccccc4)[C@@H](Cc4ccc(O)cc4)CN3[C@@H](Cc3ccccc3)CN12 |r,t:5,7|
CC(C)C[C@H]1CN2[C@@H](Cc3ccc(O)cc3)CN3[C@H](CN=C3C=C2N1)C(C)C |r,c:21,24|
CC(C)C[C@H]1CN2[C@@H](Cc3ccc(O)cc3)CN3[C@H](CN=C3C=C2N1CCc1ccccc1)C(C)C |r,c:21,24|
Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccccc4)CN4[C@@H](Cc5ccc(O)cc5)CN=C4C=C3N2)cc1 |r,c:31,34|
Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccccc4)CN4[C@@H](Cc5ccc(O)cc5)CN=C4C=C3N2CCc2ccccc2)cc1 |r,c:31,34|
Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccc(O)cc4)CN4[C@@H](Cc5ccc(O)cc5)CN=C4C=C3N2)cc1 |r,c:32,35|
Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccc(O)cc4)CN4[C@@H](Cc5ccc(O)cc5)CN=C4C=C3N2CCc2ccccc2)cc1 |r,c:32,35|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCc1c(C)cc(cc1C)C(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Cc1cc(cc(C)c1CCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)CNC1=O)C(N)=O)C(N)=O
Cc1cc(O)cc(C)c1CCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)CNC1=O)C(N)=O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1[nH]c(=O)c(CCCNC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1nc(C)c(CCCNC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)[nH]c1=O
Cc1nc(CCCNC(=O)[C@@H](N)Cc2ccc(O)cc2)c(=O)[nH]c1CCCCNC(=O)[C@@H](N)Cc1ccc(O)cc1
Cc1nc(CCCCNC(=O)[C@@H](N)Cc2ccc(O)cc2)c(=O)[nH]c1CCCNC(=O)[C@@H](N)Cc1ccc(O)cc1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(cc2)C(F)(F)F)NC1=O)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(cc2)C(F)(F)F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(F)cc2)NC1=O)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(cc2)C(F)(F)F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(F)cc2)NC1=O)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(F)cc2F)NC1=O)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(cc2)C(F)(F)F)NC1=O)C(N)=O |r|
CC(C)N(CCNC(=O)c1ccc2CN(CCc2c1)S(=O)(=O)c1ccc(C)cc1)Cc1ccc(Br)cc1
Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(ccc2C1)C(=O)NCCN(Cc1ccccc1)C(C)(C)C
Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(ccc2C1)C(=O)NCCN(Cc1ccc(Cl)cc1)C(C)(C)C
Cc1cc(O)cc(C)c1C[C@H](NCC=C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC=C
Oc1ccc(C[C@H](NCC=C)C(=O)NCCCCCCNC(=O)[C@H](Cc2ccc(O)cc2)NCC=C)cc1
Cc1cc(O)cc(C)c1C[C@H](NCC=C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](NCC=C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Cc1cc(O)cc(C)c1C[C@H](NCC=C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC=C
Oc1ccc(C[C@H](NCC=C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC=C)cc1
CCCN(C(=O)[C@H](Cc1c(C)cc(O)cc1C)NCC=C)c1cnc(N(CCC)C(=O)[C@H](Cc2c(C)cc(O)cc2C)NCC=C)c(=O)[nH]1
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NCC=C
COc1ccc(C[C@H](N=C(N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)cc1 |wU:36.38,7.7,18.19,wD:22.22,(-3.1,6.43,;-3.1,4.89,;-1.77,4.12,;-.43,4.89,;.9,4.12,;.89,2.59,;2.22,1.81,;2.22,.27,;.89,-.49,;.89,-2.03,;-.44,-2.8,;2.22,-2.81,;3.56,-.5,;3.56,-2.04,;4.89,.27,;5.05,1.8,;6.56,2.11,;7.33,.78,;6.29,-.37,;6.61,-1.87,;5.46,-2.9,;8.07,-2.36,;8.38,-3.87,;7.22,-4.89,;7.53,-6.4,;8.99,-6.89,;8.76,-8.57,;7.25,-8.86,;6.48,-10.18,;4.96,-10.17,;4.2,-8.84,;4.98,-7.52,;6.5,-7.53,;9.84,-4.36,;10.99,-3.34,;10.14,-5.87,;11.6,-6.36,;12.76,-5.34,;14.22,-5.83,;14.52,-7.34,;15.98,-7.83,;17.13,-6.81,;18.59,-7.29,;16.82,-5.29,;15.36,-4.81,;11.91,-7.87,;10.76,-8.89,;13.37,-8.36,;-.43,1.81,;-1.76,2.58,)|
COc1ccc(C[C@H](N=C(N)N)C(=O)N2CCC[C@@H]2C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 |wU:26.26,7.7,40.42,wD:18.19,(-7.63,-41.49,;-7.63,-43.03,;-6.29,-43.8,;-4.96,-43.03,;-3.63,-43.8,;-3.64,-45.33,;-2.3,-46.1,;-2.3,-47.64,;-3.64,-48.41,;-3.64,-49.95,;-4.97,-50.72,;-2.3,-50.72,;-.97,-48.41,;-.97,-49.96,;.37,-47.65,;.53,-46.12,;2.04,-45.81,;2.8,-47.14,;1.77,-48.28,;2.08,-49.79,;.93,-50.82,;3.54,-50.28,;4.7,-49.26,;6.16,-49.75,;6.46,-51.26,;7.31,-48.73,;8.77,-49.22,;9.92,-48.2,;9.62,-46.69,;10.65,-45.56,;9.9,-44.22,;8.39,-44.53,;7.17,-43.62,;5.76,-44.22,;5.59,-45.75,;6.81,-46.66,;8.21,-46.05,;9.08,-50.73,;7.92,-51.75,;10.54,-51.22,;11.69,-50.2,;11.38,-48.69,;12.54,-47.67,;13.99,-48.16,;15.15,-47.14,;14.84,-45.63,;13.37,-45.14,;12.22,-46.17,;13.15,-50.69,;13.46,-52.2,;14.31,-49.67,;-4.96,-46.11,;-6.29,-45.34,)|
COc1ccc(C[C@H](N=C(N)N)C(=O)N2CCC[C@@H]2C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)cc1 |wU:26.26,7.7,40.42,wD:18.19,(-5.41,-29.95,;-5.41,-31.49,;-4.08,-32.26,;-2.74,-31.49,;-1.41,-32.26,;-1.42,-33.8,;-.09,-34.57,;-.09,-36.11,;-1.42,-36.88,;-1.42,-38.42,;-2.75,-39.19,;-.09,-39.19,;1.25,-36.88,;1.25,-38.42,;2.58,-36.11,;2.74,-34.59,;4.25,-34.27,;5.02,-35.61,;3.98,-36.75,;4.3,-38.26,;3.15,-39.29,;5.76,-38.75,;6.91,-37.73,;8.37,-38.22,;8.68,-39.73,;9.53,-37.2,;10.99,-37.69,;12.14,-36.67,;11.83,-35.16,;12.87,-34.02,;12.11,-32.68,;10.61,-33,;9.38,-32.08,;7.98,-32.69,;7.8,-34.22,;9.03,-35.13,;10.43,-34.52,;11.29,-39.19,;10.14,-40.21,;12.75,-39.68,;13.91,-38.66,;13.6,-37.15,;14.75,-36.13,;16.21,-36.63,;17.36,-35.61,;17.06,-34.1,;18.21,-33.08,;15.59,-33.61,;14.44,-34.63,;15.37,-39.15,;15.68,-40.66,;16.53,-38.13,;-2.74,-34.57,;-4.07,-33.81,)|
COc1ccc(C[C@H](N=C(N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 |wU:36.38,7.7,18.19,wD:22.22,(-3.45,-11.1,;-3.45,-12.64,;-2.12,-13.41,;-.78,-12.64,;.55,-13.41,;.54,-14.95,;1.87,-15.72,;1.87,-17.26,;.54,-18.03,;.54,-19.57,;-.79,-20.34,;1.87,-20.34,;3.21,-18.03,;3.21,-19.57,;4.54,-17.26,;4.7,-15.73,;6.21,-15.42,;6.98,-16.76,;5.94,-17.9,;6.26,-19.4,;5.11,-20.44,;7.72,-19.89,;8.03,-21.4,;6.87,-22.42,;7.18,-23.93,;8.64,-24.42,;8.41,-26.1,;6.9,-26.4,;6.13,-27.71,;4.61,-27.7,;3.85,-26.37,;4.63,-25.05,;6.15,-25.07,;9.49,-21.89,;10.64,-20.87,;9.79,-23.4,;11.25,-23.89,;12.41,-22.87,;13.87,-23.36,;14.17,-24.87,;15.63,-25.36,;16.78,-24.34,;16.47,-22.82,;15.01,-22.34,;11.56,-25.4,;10.41,-26.43,;13.02,-25.89,;-.78,-15.72,;-2.11,-14.96,)|
CCC(=O)N(c1ccccc1)[C@@]1(CC[C@H](CCc2ccccc2)CC1)C(=O)OC |r,wU:11.11,14.15,(14.14,-1.66,;14.92,-2.99,;14.16,-4.33,;12.62,-4.35,;14.95,-5.66,;16.49,-5.64,;17.26,-6.97,;18.8,-6.96,;19.56,-5.61,;18.77,-4.28,;17.23,-4.31,;14.19,-7.01,;13.41,-5.67,;11.87,-5.67,;11.11,-7,;9.57,-6.99,;8.8,-5.66,;7.26,-5.66,;6.5,-4.32,;4.96,-4.32,;4.19,-5.65,;4.96,-6.99,;6.5,-6.99,;11.87,-8.33,;13.41,-8.33,;14.96,-8.33,;14.2,-9.67,;16.5,-8.32,;17.28,-9.64,)|
CCC(=O)N(c1ccccc1)[C@]1(CC[C@H](CCc2ccccc2)CC1)C(=O)OC |r,wU:14.15,wD:11.11,(37.75,-3.12,;38.53,-4.44,;37.77,-5.79,;36.23,-5.8,;38.56,-7.11,;40.1,-7.1,;40.87,-8.43,;42.41,-8.41,;43.17,-7.07,;42.38,-5.74,;40.84,-5.76,;37.8,-8.46,;37.02,-7.13,;35.48,-7.12,;34.72,-8.45,;33.18,-8.45,;32.41,-7.11,;30.87,-7.11,;30.11,-5.77,;28.57,-5.77,;27.8,-7.11,;28.57,-8.44,;30.11,-8.44,;35.48,-9.78,;37.02,-9.78,;38.58,-9.79,;37.82,-11.13,;40.12,-9.78,;40.89,-11.1,)|
O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C=O)c45 |r,c:2|
CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1
CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1
[H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@]3(C)c1cccc(O)c1)[C@@](C)(O2)c1cccc(O)c1 |r|
[H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@]3(C)c1cccc(O)c1)[C@@](C)(O2)c1cccc(OC)c1 |r|
[H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@]3(C)c1cccc(OC)c1)[C@@](C)(O2)c1cccc(O)c1 |r|
[H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@]3(C)c1cccc(OC)c1)[C@@](C)(O2)c1cccc(OC)c1 |r|
[H][C@]12CO[C@]3([H])N1[C@]([H])(CO2)O[C@]3(C)c1cccc(O)c1 |r|
[H][C@]12CO[C@]3([H])N1[C@]([H])(CO2)O[C@@]3(C)c1cccc(O)c1 |r|
[H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@]3(C)c1cccc(O)c1)[C@](C)(O2)c1cccc(O)c1 |r|
CC1(OC2N3C(COC13)OC2(C)c1cccc(O)c1)c1cccc(O)c1
[H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@@]3(C)c1cccc(O)c1)[C@](C)(O2)c1cccc(O)c1 |r|
[H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@@]3(C)c1cccc(O)c1)[C@@](C)(O2)c1cccc(O)c1 |r|
[H][C@]12O[C@](C)(c3cccc(O)c3)[C@]3([H])O[C@@](C)(c4cccc(O)c4)[C@]([H])(O[C@]1(C)c1cccc(O)c1)N23 |r|
[H][C@]12O[C@@](C)(c3cccc(O)c3)[C@]3([H])O[C@@](C)(c4cccc(O)c4)[C@]([H])(O[C@]1(C)c1cccc(O)c1)N23 |r|
[H][C@]12O[C@@](C)(c3cccc(O)c3)[C@]3([H])O[C@@](C)(c4cccc(O)c4)[C@]([H])(O[C@@]1(C)c1cccc(O)c1)N23 |r|
C[C@H]([C@H](NC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C1CCCCC1 |r|
C[C@@H]([C@@H](NC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C1CCCCC1 |r|
C[C@@H]([C@H](NC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C1CCCCC1 |r|
C[C@@H]([C@@H](NC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C1CCCCC1 |r|
C[C@@H]([C@H](NC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C1CCCCC1 |r|
C[C@H]([C@@H](NC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C1CCCCC1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
C[C@H]([C@@H](NC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C1CCCCC1 |r|
C[C@H]([C@H](NC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C1CCCCC1 |r|
CC(C)N1CCN(CC1)C(CN1CCN(CCCc2c(C)cccc2-c2ccccc2)CC1)c1ccc(F)cc1 |w:9.10|
CC(C)N1CCN(CC1)C(CN1CCN(CCCc2cc(F)ccc2-c2ccccc2)CC1)c1ccc(F)cc1 |w:9.10|
CC(C)N1CCN(CC1)C(CN1CCN(CCCc2c(Cl)cccc2-c2ccccc2)CC1)c1ccc(F)cc1 |w:9.10|
CC(C)N1CCN(CC1)C(CN1CCN(CCCc2ccc(F)cc2-c2ccccc2)CC1)c1ccc(F)cc1 |w:9.10|
CC(C)N1CCN(CC1)C(CN1CCN(CCCc2cccc(F)c2-c2ccccc2)CC1)c1ccc(F)cc1 |w:9.10|
CC(C)N1CCN(CC1)C(CN1CCN(CCCc2ccccc2-c2cccc(F)c2)CC1)c1ccc(F)cc1 |w:9.10|
CC(C)N1CCN(CC1)C(CN1CCN(CCCc2ccccc2-c2ccc(F)cc2)CC1)c1ccc(F)cc1 |w:9.10|
CC(C)N1CCN(CC1)C(CN1CCN(CCCc2ccccc2-c2ccccc2)CC1)c1ccc(F)cc1 |w:9.10|
CC(C)N1CCN(CC1)C(CN1CCN(CCCc2c(F)cccc2-c2ccccc2)CC1)c1ccc(F)cc1 |w:9.10|
CN([C@@H]1CC[C@]2([C@H]3Cc4ccc(c5c4[C@]2([C@H]1O5)CCN3CC6CC6)O)O)C(=O)/C=C/c7ccoc7
[H][C@]12CC(=O)N(Cc3ccccc3)CN1[C@]13CC[C@]2(O)C2Oc4c5c(CC1N(CC1CC1)CCC325)ccc4O |r,TLB:35:24:15:27.32.33,28:27:24.23.25:15,22:23:15:27.32.33,14:15:24.23.25:27.32.33,16:15:24.23.25:27.32.33|
Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@]1(O)CC[C@@]35N[C@@H]1CC(=O)NCc1ccccc1 |r,TLB:26:25:14.15:22.21,THB:3:4:23:7.12.13,17:18:23:7.12.13,22:23:4.18.5:7.12.13,24:23:4.18.5:7.12.13,8:7:4.18.5:23|
[H][C@@]12CC(=O)N(Cc3ccccc3)CN1[C@]13CC[C@]2(O)C2Oc4c5c(CC1N(CC1CC1)CCC325)ccc4O |r,TLB:35:24:15:27.32.33,28:27:24.23.25:15,22:23:15:27.32.33,14:15:24.23.25:27.32.33,16:15:24.23.25:27.32.33|
Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@]1(O)CC[C@@]35N[C@H]1CC(=O)NCc1ccccc1 |r,TLB:26:25:14.15:22.21,THB:3:4:23:7.12.13,17:18:23:7.12.13,22:23:4.18.5:7.12.13,24:23:4.18.5:7.12.13,8:7:4.18.5:23|
Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@]1(O)CC[C@@]35N=C1 |r,c:30,THB:3:4:23:7.12.13,8:7:4.18.5:23,17:18:23:7.12.13,24:23:4.18.5:7.12.13,22:23:4.18.5:7.12.13|
Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@]1(O)CC[C@@]35N=C1C(=O)Nc1ccccc1 |r,c:30,TLB:26:25:14.15:22.21,THB:3:4:23:7.12.13,8:7:4.18.5:23,17:18:23:7.12.13,24:23:4.18.5:7.12.13,22:23:4.18.5:7.12.13|
Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@]1(O)CC[C@@]35N=C1C(=O)NCc1ccccc1 |r,c:30,TLB:26:25:14.15:22.21,THB:3:4:23:7.12.13,8:7:4.18.5:23,17:18:23:7.12.13,24:23:4.18.5:7.12.13,22:23:4.18.5:7.12.13|
Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@]1(O)CC[C@@]35N=C1C(=O)NCCc1ccccc1 |r,c:30,TLB:26:25:14.15:22.21,THB:3:4:23:7.12.13,8:7:4.18.5:23,17:18:23:7.12.13,24:23:4.18.5:7.12.13,22:23:4.18.5:7.12.13|
Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@]1(O)CC[C@@]35N[C@@H]1C(=O)NCc1ccccc1 |r,TLB:26:25:14.15:22.21,THB:3:4:23:7.12.13,8:7:4.18.5:23,17:18:23:7.12.13,24:23:4.18.5:7.12.13,22:23:4.18.5:7.12.13|
Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@]1(O)CC[C@@]35N[C@H]1C(=O)NCc1ccccc1 |r,TLB:26:25:14.15:22.21,THB:3:4:23:7.12.13,8:7:4.18.5:23,17:18:23:7.12.13,24:23:4.18.5:7.12.13,22:23:4.18.5:7.12.13|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC=CC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O |w:15.15|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC=CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O |w:15.15|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)c1nc2ccccc2[nH]1
CC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCc1ccccc1
CC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)Nc1ccccc1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](N)C(=O)NCc1ccccc1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](N)C(=O)Nc1ccccc1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](N)c1nc2ccccc2[nH]1
CC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc2ccccc2[nH]1
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)CNC1=O)C(N)=O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CCF)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC(F)F)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC(F)(F)F)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CCC)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CCF)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC(F)(F)F)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC(F)F)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CCC)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O
Cc1cc(C)c(C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c(C)c1
Cc1cc(C)cc(C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1
CCc1cccc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Cc1cc(O)ccc1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Cc1cccc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)c1cccc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Cc1cc(O)ccc1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)c1cccc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Cc1cc(C)c(C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c(C)c1
Cc1ccccc1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Cc1ccccc1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Cc1cc(C)cc(C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1
CCc1cccc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Cc1cccc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CCNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
CC1(C)SCCSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCN |w:23.26|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |w:23.26|
CCN(CC)C(=O)c1ccc(cc1)C(N1CCC2CCCC(C1)N2CC=C)c1cccc(OC)c1 |TLB:24:23:18.19.20:22.15.16.14|
CCN(CC)C(=O)c1ccc(cc1)C(N1CCC2CCC(C1)N2CC=C)c1cccc(OC)c1 |THB:13:14:22:18.19|
CCN(CC)C(=O)c1ccc(cc1)C(N1C2CCCC1CN(CC=C)C2)c1cccc(OC)c1 |TLB:22:21:14:16.17.18|
CCN(CC)C(=O)c1ccc(cc1)C(N1C2CCC1CN(CC=C)C2)c1cccc(OC)c1
CCN(CC)C(=O)c1ccc(cc1)C(N1C2CC1CN(CC=C)C2)c1cccc(OC)c1 |THB:13:14:23.19.18:16|
[H][C@]12C[C@@]34Cc5ccc(O)cc5[C@@]3(CCN(CC3CC3)[C@@]4([H])C=C1)C[C@@H]2N(C)C(=O)Cc1ccccc1
[H][C@]12C[C@@]34Cc5ccc(O)cc5[C@@]3(CCN(CC3CC3)[C@@]4([H])C=C1)C[C@@H]2N(C)C(=O)c1ccccc1
[H][C@]12CC[C@]3([H])N(CC4CC4)CC[C@@]4(C[C@H]1N(C)C(=O)C=Cc1ccoc1)c1cc(O)ccc1C[C@@]34C2
[H][C@]12CC[C@]3([H])N(CC4CC4)CC[C@@]4(C[C@H]1N(C)C(=O)CCc1ccccc1)c1cc(O)ccc1C[C@@]34C2
[H][C@]12C[C@@]34Cc5ccc(O)cc5[C@@]3(CCN(CC3CC3)[C@@]4([H])C=C1)C[C@@H]2N(C)C(=O)CCc1ccccc1
[H][C@]12C[C@@]34Cc5ccc(O)cc5[C@@]3(CCN(CC3CC3)[C@@]4([H])C=C1)C[C@@H]2N(C)C(=O)C=Cc1ccoc1
[H][C@]12C[C@@]34Cc5ccc(O)cc5[C@@]3(CCN(CC3CC3)[C@@]4([H])C=C1)C[C@H]2N(C)C(=O)c1ccccc1
[H][C@]12C[C@@]34Cc5ccc(O)cc5[C@@]3(CCN(CC3CC3)[C@@]4([H])C=C1)C[C@H]2N(C)C(=O)Cc1ccccc1
[H][C@]12C[C@@]34Cc5ccc(O)cc5[C@@]3(CCN(CC3CC3)[C@@]4([H])C=C1)C[C@H]2N(C)C(=O)CCc1ccccc1
[H][C@]12C[C@@]34Cc5ccc(O)cc5[C@@]3(CCN(CC3CC3)[C@@]4([H])C=C1)C[C@H]2N(C)C(=O)C=Cc1ccoc1
CN([C@@H]1CC[C@]2([C@H]3Cc4ccc(c5c4[C@]2([C@H]1O5)CCN3CC6CC6)O)O)C(=O)/C=C/c7ccoc7
[H][C@]12CC[C@]3([H])N(CC4CC4)CC[C@@]4(C[C@H]1N(C)C(=O)Cc1ccccc1)c1cc(O)ccc1C[C@@]34C2
[H][C@]12CC[C@]3([H])N(CC4CC4)CC[C@@]4(C[C@H]1N(C)C(=O)c1ccccc1)c1cc(O)ccc1C[C@@]34C2
[H][C@]12CC[C@]3([H])N(CC4CC4)CC[C@@]4(C[C@@H]1N(C)C(=O)C=Cc1ccoc1)c1cc(O)ccc1C[C@@]34C2
[H][C@]12CC[C@]3([H])N(CC4CC4)CC[C@@]4(C[C@@H]1N(C)C(=O)CCc1ccccc1)c1cc(O)ccc1C[C@@]34C2
[H][C@]12CC[C@]3([H])N(CC4CC4)CC[C@@]4(C[C@@H]1N(C)C(=O)Cc1ccccc1)c1cc(O)ccc1C[C@@]34C2
[H][C@]12CC[C@]3([H])N(CC4CC4)CC[C@@]4(C[C@@H]1N(C)C(=O)c1ccccc1)c1cc(O)ccc1C[C@@]34C2
CCC(=O)N(CC1CCN(Cc2ccc3[C@H](N)CCCc3c2)CC1)c1ccccc1
CCC(=O)N(CC1CCN(Cc2ccc3[C@@H](O)CCCc3c2)CC1)c1ccccc1 |r|
CCC(=O)N(C1CCN(Cc2ccc3[C@H](N)CCCc3c2)CC1)c1ccc(F)c(F)c1
CCC(=O)N(C1CCN(Cc2ccc3[C@H](N)CCCc3c2)CC1)c1ccc(Cl)c(Cl)c1
CCC(=O)N(C1CCN(Cc2ccc3[C@H](N)CCCc3c2)CC1)c1ccc(Cl)c(OC)c1
CCC(=O)N(C1CCN(CCc2ccc3[C@H](N)CCCc3c2)CC1)c1ccccc1
CCC(=O)N(C1CCN(Cc2ccc3[C@H](N)CCCc3c2)CC1)c1ccccc1
CCC(=O)N(CC1CCN(Cc2ccc3[C@@H](CCCc3c2)NC(C)=O)CC1)c1ccccc1 |r|
CCC(=O)N(C1CCN(Cc2ccc3[C@@H](CCCc3c2)NC(C)=O)CC1)c1ccccc1 |r|
CCC(=O)N(C1CCN(Cc2ccc3[C@@H](O)CCCc3c2)CC1)c1ccccc1 |r|
CCCCCCCCCCC(N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
CCCCCCC(N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCCCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)C(=O)NCCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCCCC(=O)NCC(N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(NC(=O)C(Cc1cccs1)NC(=O)CNC(=O)C1CC(O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](N)CCCNC(N)=N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1 |r|
CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
CCC(=O)N(CC1CCN(Cc2ccc3[C@H](N)CCCc3c2)CC1)c1ccccc1 |r|
CCC(=O)N(C1CCN(CCc2ccc3[C@H](N)CCCc3c2)CC1)c1ccccc1 |r|
CCC(=O)N(C1CCN(Cc2ccc3[C@H](N)CCCc3c2)CC1)c1ccccc1 |r|
CCC(=O)N(CC1CCN(Cc2ccc3[C@@H](CCCc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1)c1ccccc1 |r|
CCC(=O)N(C1CCN(CCc2ccc3[C@@H](CCCc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1)c1ccccc1 |r|
CCC(=O)N(C1CCN(Cc2ccc3[C@@H](CCCc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1)c1ccccc1 |r|
CCC(=O)N(C1CCN(Cc2cccc3[C@@H](CCCc23)NC(=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1)c1ccccc1 |r|
CCC(=O)N(C1CCN(Cc2cccc3[C@@H](CCCc23)NC(=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CC1)c1ccccc1 |r|
C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
[H][C@]12CC[C@@]3(C)[C@@H](C[C@@](COC)(CC=C)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@@](COC)(CC=C)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@]12CC[C@@]3(C)[C@@H](C[C@](CCC)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@](CCC)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@]12CC[C@@]3(C)[C@@H](C[C@](CC)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@](CC)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@]12CC[C@@]3(C)[C@@H](C[C@](C)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@](C)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]1(C[C@]23C=C[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(C)CC[C@@]315)ccc4O)[C@](C)(O)CCC |r,wU:15.17,20.21,25.33,1.0,wD:9.10,3.3,6.7,c:4,THB:17:16:13.12.14:3,(12.5,-39.62,;11.02,-39.23,;12.37,-38.48,;12.38,-36.94,;11.6,-38.27,;10.46,-37.1,;9.7,-38.44,;8.61,-39.53,;7.12,-39.12,;9.72,-36.9,;8.94,-35.56,;9.73,-33.87,;11.06,-34.63,;12.4,-33.87,;13.73,-34.64,;13.72,-36.18,;14.48,-34.84,;15.81,-34.06,;12.94,-34.84,;12.54,-35.75,;11.06,-36.16,;12.39,-32.32,;11.06,-31.55,;9.73,-32.32,;8.39,-31.55,;11,-40.77,;10.98,-42.3,;9.46,-40.75,;12.54,-40.79,;13.29,-42.14,;14.83,-42.16,)|
[H][C@]12CC[C@@]3(C)[C@@H](C[C@](CCOCCI)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@](CCOCCI)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@]12CC[C@@]3(C)[C@@H](C[C@](CCCCCI)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@](CCCCCI)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCc1ccccc1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](CC(O)=O)c1nc2ccccc2[nH]1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](CC(O)=O)c1nc2ccccc2n1C |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(O)=O)c1nc2ccccc2n1C |r|
CN(C(=O)[C@@H](CC(O)=O)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1 |r|
CN(C(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](CC(O)=O)C(=O)Nc1ccccc1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)Nc1ccccc1 |r|
CN(C(=O)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(O)=O)c1nc2ccccc2[nH]1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2cc(F)cc3CCCn1c23 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(=C)C(N)=O)c1cccs1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(=C)C(N)=O)c1ccsc1 |r|
C[C@@H](Cc1c(C)cc(cc1C)C(N)=O)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)CNC1=O)C(N)=O |r|
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6])-[#6]-c1c(-[#6])cc(-[#8])cc1-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6])-[#6]-c1c(-[#6])cc(cc1-[#6])-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
C[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(O)=O)C(C)(C)SSC1(C)C |r|
C[C@@H](Cc1c(C)cc(cc1C)C(N)=O)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(O)=O)C(C)(C)SSC1(C)C |r|
C[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)CNC1=O)C(N)=O |r|
Cc1cc(O)cc(C)c1CCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)NC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O |r|
[H][C@]12CCC[C@@H](N3CCCC3)[C@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
[H][C@]12CCC[C@H](N3CCCC3)[C@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
[H][C@@]12CCC[C@@H](N3CCCC3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
[H][C@@]12CCC[C@@H](N3CCCC3)[C@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
[H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(CC3CCc4ccccc34)ccc12 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3CCc4ccccc34)cc12 |r|
CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(CC3Cc4ccccc4C3)ccc12 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3Cc4ccccc4C3)cc12 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCc2ccc(Cc3cccc4ccccc34)cc12 |r|
CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3cccc4ccccc34)ccc12 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3cccc4ccccc34)cc12 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCc2ccc(Cc3ccc4ccccc4c3)cc12 |r|
CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc12 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccc4ccccc4c3)cc12 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCc2ccc(CC3CCCCC3)cc12 |r|
CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(CC3CCCCC3)ccc12 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3CCCCC3)cc12 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCc2ccc(Cc3ccccc3)cc12 |r|
CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc12 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2c(CN(CC(O)=O)C1=O)[nH]c1ccccc21 |r|
CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2c(CN(CC(O)=O)C1=O)[nH]c1ccccc21 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1Cc2c(CN(CC(O)=O)C1=O)[nH]c1ccccc21 |r|
CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@@H]1Cc2c(CN(CC(O)=O)C1=O)[nH]c1ccccc21 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN([C@@H](CCCCN)C(=O)NCc2ccccc2)C1=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN([C@@H](CC(O)=O)C(=O)NCc2ccccc2)C1=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CNC1=O |r|
CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2ccccc2CNC1=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2c(CN(CC(=O)NCc3ccccc3)C1=O)[nH]c1ccccc21 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2c(CN(CC(=O)OCc3ccccc3)C1=O)[nH]c1ccccc21 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1Cc2c(CN(CC(=O)NCc3ccccc3)C1=O)[nH]c1ccccc21 |r|
CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@@H]1Cc2c(CN(CC(=O)NCc3ccccc3)C1=O)[nH]c1ccccc21 |r|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1C=C |r|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(O)=O |r|
COC[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1 |r|
CCOC[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1 |r|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](COC(C)=O)C[C@]21C |r|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1cnccn1 |r|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(O)c1ccco1 |r|
COC(=O)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1 |r|
CCOC(=O)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1 |r|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)OC(C)C |r|
CCC(=O)N(CC1CCCCN1Cc1ccc2[C@H](N)CCCc2c1)c1ccccc1
CCC(=O)N(CC1CCCCN1Cc1ccc2[C@H](N)CCCc2c1)c1ccc(F)c(F)c1
CCC(=O)N(CC1CCCCN1Cc1ccc2[C@@H](CCCc2c1)NC(C)=O)c1ccccc1 |r|
CCC(=O)N(CC1CCCCN1CCc1ccccc1)c1ccccc1
CCC(=O)N(CC1CCCCN1Cc1ccccc1)c1ccccc1
CCC(=O)N(CC1CCCCN1Cc1ccc2[C@@H](O)CCCc2c1)c1ccc(F)c(F)c1 |r|
CCC(=O)N(CC1CCCCN1Cc1ccc2[C@@H](O)CCCc2c1)c1ccccc1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=O)NC1=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccncc2)NC1=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cccnc2)NC1=O |r|
[H][C@@]12Cc3ccc(O)cc3CN1[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCCCC[C@@H](NC2=O)C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
[H][C@@]12Cc3ccccc3CN1[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCCCC[C@@H](NC2=O)C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC1=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CNC(=O)c2ccccc2N)NC1=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC(CC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H](C1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC(CC1)N(C=O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H](C1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)Nc1ccccc1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)NCc1ccccc1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1nc2ccccc2[nH]1 |r|
[H][C@@]12Cc3ccc(O)c4O[C@@]5(C)c6[nH]c7ccccc7c6C[C@]1(CCCc1ccccc1)[C@@]5(CCN2C)c34 |r,TLB:36:35:3.37.2:22|
C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)c2cccc(F)c2)[C@@H](C)CN1CC=C
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)N1CCc2ccccc2C1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)N(c1ccccc1)c1ccccc1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2CC1CN[C@@H](Cc1ccccc1)C(=O)NC(CC1CCCCC1)C(O)=O |r|
CCCC[C@@H]1NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
CCCC[C@@H]1NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSCSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
[H][C@@]12CCCC[C@@]11CCN(CC3CCCO3)[C@]2([H])C(=O)c2ccc(O)cc12 |r,TLB:25:26:1:7.9.8,19:18:1:7.9.8,THB:10:9:20.26.18:1,2:1:20.26.18:7.9.8|
[H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1ccccc1)[C@H]2C |r,THB:8:9:26:12.14.13,15:14:26:3.9.2|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCCN(CC1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](Cc1ccccc1)C(=O)NC(CC1CCCCC1)C(O)=O |r|
[H][C@@]12Cc3ccc(O)c4O[C@@]5(C)C(=O)CC[C@]1(OC)[C@@]5(CCN2C)c34 |r,TLB:23:22:16:2.3.24|
[H][C@@]12Cc3ccc(O)c4O[C@@]5(CO)C(=O)CC[C@]1(O)[C@@]5(CCN2C)c34 |r,THB:23:22:3.24.2:17|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC1=O)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cccc3ccccc23)NC1=O)C(N)=O |r|
C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(N)=O)C1=O
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCC(F)(F)F)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
CC(C)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CC(O)=O)C(=O)N1)C(=O)NCC(N)=O
COCC1O[C@@H]2O[C@@H]3C(CNC(=O)[C@H]4NC(=O)[C@@H](Cc5ccc(I)cc5)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc5ccc(O)cc5)C(C)(C)SSC4(C)C)O[C@H](O[C@@H]4C(COC)O[C@H](O[C@@H]5C(COC)O[C@H](O[C@@H]6C(COC)O[C@H](O[C@@H]7C(COC)O[C@@H](O[C@@H]8C(COC)O[C@H](O[C@H]1C(OC)C2OC)C(OC)C8OC)C(OC)C7OC)C(OC)C6OC)C(OC)C5OC)C(OC)C4OC)C(OC)C3OC
CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccc(I)cc2)C(=O)N[C@@H]1C(O)=O
C[N+](C)(C)CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
C[N+](C)(C)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)C(N)=O
C[N+](C)(C)CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
C[N+](C)(C)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O
C[N+](C)(C)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)[N+](C)(C)C)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
C[N+](C)(C)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC(F)(F)C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC(F)(F)C[C@@H]1C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC(F)(F)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC(F)(F)C[C@H]1C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC(F)(F)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC(F)(F)C[C@@H]1C(N)=O |r|
Cc1cc(C[C@H](N)C(=O)N[C@@H]2CCNc3ccc(Cc4ccccc4)cc23)c(C)cc1O |r|
N[C@@H](Cc1ccc2cccc(O)c2c1)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
Cc1cccc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
N[C@@H](Cc1c(Cl)cc(O)cc1Cl)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
Cc1cc(O)ccc1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
CC[C@H](C)N(C[C@H](O)[C@H]1CCC(=O)N1Cc1ccccc1Cl)[C@@H](C)CC
CC[C@H](C)N(C[C@H](O)[C@@H]1CCC(=O)N1Cc1ccccc1Cl)[C@H](C)CC
CC[C@@H](C)N(C[C@@H](O)[C@@H]1CCC(=O)N1Cc1ccccc1Cl)[C@H](C)CC
CC[C@H](C)N(C[C@@H](O)[C@H]1CCC(=O)N1Cc1ccccc1Cl)[C@H](C)CC
CC[C@@H](C)N(C[C@H](O)[C@H]1CCC(=O)N1Cc1ccccc1Cl)[C@H](C)CC
CC[C@@H](C)N(C[C@H](O)[C@@H]1CCC(=O)N1Cc1ccccc1Cl)[C@H](C)CC
CC[C@H](C)N(C[C@H](O)[C@@H]1CCC(=O)N1Cc1ccccc1Cl)[C@@H](C)CC
CC[C@H](C)N(C[C@@H](O)[C@@H]1CCC(=O)N1Cc1ccccc1Cl)[C@H](C)CC
CC[C@H](C)N(C[C@@H](O)[C@@H]1CCC(=O)N1Cc1ccccc1Cl)[C@@H](C)CC
CC[C@@H](C)N(C[C@@H](O)[C@H]1CCC(=O)N1Cc1ccccc1Cl)[C@H](C)CC
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCN(CC1)[C@@H]1CCN(C[C@@H]1c1ccccc1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
CN([C@@H]1CCN(C[C@@H]1c1ccccc1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCN(C[C@H]1c1ccccc1)C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)CC(N)=O |r|
CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCN(C[C@H]1c1ccccc1)C(=O)C[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N2CCN(CC2)[C@@H]2CCN(C[C@@H]2c2ccccc2)C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O |r|
CN([C@@H]1CCN(C[C@@H]1c1ccccc1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O |r|
CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCN(C[C@H]1c1ccccc1)C(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O |r|
CCO[C@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c5c(CC1N(CC1CC1)CC[C@@]235)ccc4O |r,THB:30:19:3:22.28.27,17:18:3:22.28.27|
C[C@H]([C@@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O)c1c(C)cc(O)cc1C |r|
CC(C(NC(=O)OC(C)(C)C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc1ccccc1)c1c(C)cc(O)cc1C
C[C@H]([C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O)c1c(C)cc(O)cc1C |r|
C[C@@H]([C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O)c1c(C)cc(O)cc1C |r|
C[C@@H]([C@@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O)c1c(C)cc(O)cc1C |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1 |r|
[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)CCC[C@@]23O |r,TLB:14:13:3.9.2:24|
[H]C12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1[nH]c4ccccc4c1C[C@@]23O |r,TLB:14:13:3.9.2:29|
[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1[nH]c4ccccc4c1CC[C@@]23O |r,TLB:14:13:3.9.2:30|
[H]C12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc4ccccc4cc1C[C@@]23O |r,TLB:14:13:3.9.2:30|
[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc4ccccc4cc1CC[C@@]23O |r,TLB:14:13:3.9.2:31|
[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(C[C@@]23O)=C\c1ccccc1 |r,TLB:24:23:3.9.2:13.12.11,14:13:3.9.2:23,22:23:3.9.2:13.12.11,THB:8:9:23:13.12.11|
[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(CC[C@@]23O)=C\c1ccccc1 |r,TLB:14:13:3.9.2:24|
[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(C[C@@]23O)=C/c1ccccc1 |r,TLB:24:23:3.9.2:13.12.11,14:13:3.9.2:23,22:23:3.9.2:13.12.11,THB:8:9:23:13.12.11|
[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(CC[C@@]23O)=C/c1ccccc1 |r,TLB:14:13:3.9.2:24|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(C)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)NC |r|
[H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cccc3ncccc13)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
[H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1ccc3ncccc3c1)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
[H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cccc3cccnc13)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
[H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cccc3ccccc13)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
[H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cccc3cnccc13)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
[H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cnc3ccccc3c1)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
CC[C@H](C)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCCN)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C1=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c(C)cc(O)cc2C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C1=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C1=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
COc1ccccc1-c1ccc2c(CCC(CN(C)C)C2(O)c2cccc(O)c2)c1
CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1OC(F)(F)F |r|
CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1C(F)(F)F |r|
CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1Cl |r|
CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1F |r|
CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1C |r|
COc1ccccc1-c1ccc2c(CC[C@H](CN(C)C)[C@@]2(O)c2cccc(O)c2)c1 |r|
CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccc(Cl)c(Cl)c1 |r|
CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccc(cc1)C(F)(F)F |r|
COc1cccc(c1)[C@]1(O)[C@@H](CN(C)C)CCc2cc(ccc12)-c1ccc(Cl)c(Cl)c1 |r|
COc1cccc(c1)[C@]1(O)[C@@H](CN(C)C)CCc2cc(ccc12)-c1ccc(Cl)cc1 |r|
COc1cccc(c1)[C@]1(O)[C@@H](CN(C)C)CCc2cc(ccc12)-c1ccc(cc1)C(F)(F)F |r|
COc1ccc(cc1)-c1ccc2c(CC[C@H](CN(C)C)[C@@]2(O)c2cccc(OC)c2)c1 |r|
COc1cccc(c1)-c1ccc2c(CC[C@H](CN(C)C)[C@@]2(O)c2cccc(OC)c2)c1 |r|
COc1cccc(c1)[C@]1(O)[C@@H](CN(C)C)CCc2cc(ccc12)-c1ccccc1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1\C=N\O[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1ON[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
N[C@@H](Cc1ccc(O)cc1)ON[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
C[C@H](NO[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
N[C@@H](Cc1ccc(O)cc1)ONCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
N[C@@H](Cc1ccc(O)cc1)ON[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1\C=N\O[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
C[C@@H](NO[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1ON[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@H](C1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1ONCC(=O)N[C@@H](Cc1ccccc1)C(N)=O
COC(=O)[C@]12CO[C@]34[C@@H]5C[C@@H]1\C(CN5CC[C@]23c1cc(O)ccc1N4C)=C/C |r,TLB:17:16:6.5:8.9.10,THB:11:10:7:14.15.13,2:4:7:14.15.13,15:16:6.5:8.9.10|
CN1CC[C@]2(C)[C@H]1N(C)c1ccc(O)cc21 |r|
COC(=O)[C@@]1(CO)[C@@H]2CC[C@]34N(CC[C@]13c1cc(O)ccc1N4C)C\C2=C\C |r,TLB:8:7:12.13:10,5:4:12.13:10,THB:2:4:12.13:10,26:25:12.13:10,26:25:8.9:14.4,12:11:8.9:14.4|
CCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc12 |r|
CCCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc12 |r|
CC(C)C(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc12 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C2CC2)c2ccc(Cc3ccccc3)cc12 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C2CCC2)c2ccc(Cc3ccccc3)cc12 |r|
COC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc12 |r|
COCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc12 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)c2ccccc2)c2ccc(Cc3ccccc3)cc12 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(CC(N)=O)c2ccc(Cc3ccccc3)cc12 |r|
CCOC(=O)CN1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc12 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(CC(O)=O)c2ccc(Cc3ccccc3)cc12 |r|
CCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc12 |r|
CCCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc12 |r|
COC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc12 |r|
CCc1cc(O)cc(CC)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
CC(C)c1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
CCc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Cc1cc(O)c(C)c(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC=C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,c:15|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC(C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)NC(=C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC(C1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)c1nc2ccccc2[nH]1 |r|
C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)c1nc2ccccc2[nH]1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)c1nc2ccccc2[nH]1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCN)C(=O)c1nc2ccccc2[nH]1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2[nH]1 |r|
CC(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)c1nc2ccccc2[nH]1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)c1nc2ccccc2[nH]1 |r,wU:41.44,52.55,63.67,wD:10.11,23.26,27.29,(11.09,-21.91,;9.76,-21.14,;8.41,-21.88,;7.06,-21.1,;5.73,-21.87,;7.08,-19.57,;8.43,-18.8,;8.43,-17.26,;9.76,-19.57,;11.09,-18.8,;11.09,-17.26,;9.76,-16.49,;12.42,-16.49,;12.42,-14.95,;13.76,-17.26,;13.72,-18.82,;15.07,-19.6,;15.07,-21.13,;16.4,-21.9,;17.73,-21.13,;17.73,-19.6,;16.4,-18.84,;16.4,-17.3,;15.08,-16.53,;15.08,-14.99,;13.75,-14.22,;16.42,-14.22,;16.42,-12.68,;17.75,-11.91,;19.09,-12.68,;20.42,-11.91,;20.42,-10.37,;21.77,-12.68,;21.76,-14.23,;23.09,-15,;20.43,-14.99,;19.09,-14.22,;17.75,-14.99,;15.08,-11.91,;15.08,-10.37,;13.75,-12.68,;12.42,-11.91,;12.42,-10.37,;13.75,-9.6,;13.75,-8.06,;15.08,-7.29,;15.08,-5.75,;16.42,-4.98,;13.75,-4.98,;11.08,-12.68,;11.08,-14.22,;9.75,-11.91,;8.41,-12.68,;8.41,-14.22,;7.08,-14.99,;7.08,-16.54,;5.73,-17.31,;4.38,-16.54,;4.38,-14.99,;5.73,-14.21,;7.08,-11.91,;5.74,-12.68,;7.08,-10.37,;5.74,-9.6,;4.41,-10.37,;4.41,-11.91,;3.08,-12.68,;3.08,-14.22,;1.74,-14.99,;5.74,-8.06,;4.41,-7.29,;7.08,-7.29,;8.49,-7.91,;9.52,-6.77,;11.06,-6.78,;11.83,-5.45,;11.06,-4.11,;9.53,-4.11,;8.76,-5.44,;7.24,-5.75,)|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1nc2ccccc2[nH]1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)c1nc2ccccc2[nH]1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)c1nc2ccccc2[nH]1 |r|
CC(C)C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)c1nc2ccccc2[nH]1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)c1nc2ccccc2[nH]1 |r,w:31.33|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nc2ccccc2[nH]1 |r,wU:10.11,27.29,wD:23.26,(16.14,-49.27,;16.14,-50.81,;14.79,-51.6,;14.8,-53.16,;13.46,-53.93,;16.15,-53.92,;17.48,-53.13,;18.82,-53.9,;17.47,-51.59,;18.8,-50.82,;20.14,-51.59,;20.14,-53.13,;21.47,-50.82,;21.47,-49.28,;22.81,-51.59,;22.81,-53.13,;24.14,-53.89,;24.14,-55.44,;25.48,-56.21,;26.8,-55.44,;26.8,-53.89,;25.48,-53.13,;25.48,-51.59,;24.13,-50.81,;24.13,-49.27,;22.8,-48.5,;25.46,-48.5,;25.46,-46.96,;24.13,-46.19,;22.8,-46.96,;21.47,-46.19,;20.14,-46.96,;18.81,-46.19,;18.81,-44.65,;17.47,-46.96,;26.8,-46.19,;26.8,-44.65,;28.14,-46.96,;28.3,-48.5,;29.8,-48.82,;30.59,-50.14,;32.12,-50.14,;32.88,-48.81,;32.12,-47.47,;30.58,-47.49,;29.55,-46.34,)|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)c1nc2ccccc2[nH]1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)c1nc2ccccc2[nH]1 |r|
CC(=O)OC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)c1nc2ccccc2[nH]1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CO)C(=O)c1nc2ccccc2[nH]1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)c1nc2ccccc2[nH]1 |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CC=CC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r,w:33.33|
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]=[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r,w:33.33|
[#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]=[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1)-[#6](-[#7])=O |r,w:30.31|
Oc1cccc(CCN(CCc2ccccc2)CCc2ccccc2)c1
Oc1ccc(CCN(CCc2ccccc2)CC2CC2)cc1
Oc1ccc(CCN(CCc2ccccc2)CC2CCC2)cc1
Cc1cc(O)cc(C)c1C[C@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O |r|
Cc1cc(O)cc(C)c1C[C@@H]1NC(=O)CC(CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(N)=N)NC1=O |r|
Cc1cc(O)cc(C)c1C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(N)=O)NC1=O |r|
[#6]-c1cc(-[#8])cc(-[#6])c1-[#6]-[#6](-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
CCCCC1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c(C)cc(O)cc2C)NC1=O |r|
Cc1cc(O)cc(C)c1C[C@@H]1NC(=O)C(CCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(N)=N)NC1=O |r|
Cc1cc(O)cc(C)c1C[C@@H]1NCC(CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(N)=N)NC1=O |r|
Cc1cc(O)cc(C)c1C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCCNC(N)=N)NC1=O |r|
Cc1cc(O)cc(C)c1C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(N)=N)NC1=O |r|
CCC(C)[C@@H](CNC)N1CCN(CCC2CC3CCC2C3)[C@@H](C1)C(C)C |r,TLB:13:14:18.17:20|
CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CCCC2CCCCC2)[C@@H](C1)C(C)C |r|
CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CCC2CC3CCC2C3)[C@@H](C1)C(C)C |r,TLB:17:18:22.21:24|
CNC[C@H](Cc1ccc(O)cc1)NC[C@H](Cc1ccc(O)cc1)NCC1CCCCCC1 |r|
CNC[C@H](Cc1ccc(O)cc1)NC[C@H](Cc1ccc(O)cc1)NCC1CCC(C)CC1 |r,wU:14.24,wD:3.12,(23.12,-8.45,;21.78,-7.69,;21.77,-6.15,;20.44,-5.38,;19.1,-6.16,;17.77,-5.4,;17.76,-3.86,;16.43,-3.1,;15.1,-3.87,;13.76,-3.12,;15.11,-5.42,;16.45,-6.18,;20.43,-3.84,;21.75,-3.07,;21.75,-1.53,;23.08,-.75,;24.41,-1.51,;24.42,-3.05,;25.75,-3.81,;27.09,-3.04,;28.43,-3.8,;27.07,-1.49,;25.74,-.74,;20.41,-.76,;20.41,.78,;19.06,1.54,;19.05,3.09,;17.71,3.84,;16.38,3.06,;15.04,3.82,;16.39,1.52,;17.74,.75,)|
CNC[C@H](Cc1ccc(O)cc1)NC[C@H](Cc1ccc(O)cc1)NCCC1CC2CCC1C2 |r,TLB:25:26:30.29:32|
CNC[C@H](Cc1ccc(O)cc1)NC[C@H](Cc1ccc(O)cc1)NCCC1CCCC1 |r|
CCC[C@H](CN[C@H](CNC)Cc1ccc(O)cc1)NCCC1CCCC1 |r|
CCC[C@H](CN[C@H](CNC)Cc1ccc(O)cc1)NCC1CCC(C)CC1 |r,wD:3.18,6.5,(27.78,-34.64,;26.45,-35.41,;25.12,-34.65,;23.78,-35.42,;23.79,-36.97,;22.46,-37.74,;22.47,-39.28,;23.81,-40.05,;23.82,-41.59,;25.15,-42.35,;21.14,-40.06,;19.8,-39.3,;19.8,-37.75,;18.47,-37,;17.14,-37.77,;15.79,-37.01,;17.14,-39.32,;18.48,-40.08,;22.45,-34.66,;22.45,-33.11,;21.1,-32.36,;21.08,-30.81,;19.74,-30.06,;18.4,-30.84,;17.07,-30.09,;18.42,-32.39,;19.77,-33.16,)|
CCC[C@H](CN[C@H](CNC)Cc1ccc(O)cc1)NCCC12CC3CC(CC(C3)C1)C2 |r,TLB:20:21:28:24.25.26,30:21:28:24.25.26,THB:30:25:22.21.29:28,26:25:22:29.27.28,26:27:22:24.30.25|
CCC[C@H](CN[C@H](CNC)Cc1ccc(O)cc1)NCCC1CC2CCC1C2 |r,TLB:20:21:25.24:27|
CCC[C@H](CN[C@H](CNC)Cc1ccc(O)cc1)NCC1CCCCCC1 |r|
CCC[C@H](CNC)NC[C@H](Cc1ccc(O)cc1)NCC1CCCCCC1 |r|
CCC[C@H](CNC)NC[C@H](Cc1ccc(O)cc1)NCC1CCC(C)CC1 |r,wU:9.18,3.6,(16.85,-5.87,;18.17,-5.09,;19.51,-5.85,;20.84,-5.08,;22.17,-5.84,;22.18,-7.38,;23.52,-8.14,;20.83,-3.53,;22.15,-2.77,;22.15,-1.22,;23.48,-.45,;24.81,-1.21,;24.81,-2.75,;26.15,-3.51,;27.48,-2.73,;28.82,-3.49,;27.47,-1.19,;26.14,-.43,;20.81,-.46,;20.81,1.08,;19.46,1.84,;19.45,3.39,;18.11,4.14,;16.78,3.36,;15.45,4.12,;16.8,1.82,;18.14,1.05,)|
CCC[C@H](CNC)NC[C@H](Cc1ccc(O)cc1)NCCC1CC2CCC1C2 |r,TLB:20:21:25.24:27|
CCC[C@H](CNC)NC[C@H](Cc1ccc(O)cc1)NCCC1CCCC1 |r|
CCC[C@H](CNC)NC[C@@H](CCC)NCC1CCCCCC1 |r|
CCC[C@H](CNC)NC[C@@H](CCC)NCC1CCC(C)CC1 |r,wU:3.6,wD:9.12,(19.25,-8.92,;20.57,-8.14,;21.91,-8.9,;23.24,-8.13,;24.57,-8.89,;24.58,-10.44,;25.92,-11.19,;23.23,-6.58,;24.56,-5.82,;24.55,-4.27,;25.88,-3.5,;27.22,-4.26,;28.55,-3.49,;23.21,-3.51,;23.22,-1.96,;21.87,-1.21,;21.85,.34,;20.51,1.09,;19.17,.31,;17.84,1.06,;19.19,-1.24,;20.54,-2.01,)|
CCC[C@H](CNC)NC[C@@H](CCC)NCCC12CC3CC(CC(C3)C1)C2 |r,TLB:15:16:23:19.20.21,25:16:23:19.20.21,THB:25:20:17.16.24:23,21:20:17:24.22.23,21:22:17:19.25.20|
CCC[C@H](CNC)NC[C@@H](CCC)NCCC1CC2CCC1C2 |r,TLB:15:16:20.19:22|
CCC[C@H](CNC)NC[C@@H](CCC)NCCC1CCCC1 |r|
CC(C)[C@H](CNCc1ccccc1)N1CCN(CCC2CC3CCC2C3)[C@@H](Cc2ccccc2)C1 |r,TLB:18:19:23.22:25|
CC(C)[C@H](CNCc1ccccc1)N1CCN(CCC2CCCC2)[C@@H](Cc2ccccc2)C1 |r|
CC(C)[C@H](CNCc1ccccc1)N1CCN(CCc2ccccc2)[C@@H](C1)C(C)C |r|
CC(C)CCN1CCN(C[C@H]1C(C)C)[C@@H](CNCc1ccccc1)C(C)C |r|
CC(C)[C@H](CNCc1ccccc1)N1CCN(CCC2CC3CCC2C3)[C@@H](C1)C(C)C |r,TLB:18:19:23.22:25|
CC(C)[C@H](CNCc1ccccc1)N1CCN(CCC2CCCC2)[C@@H](C1)C(C)C |r|
CC(C)(C)CCN1CCN(C[C@@H]1Cc1ccc(O)cc1)[C@@H](CNCc1ccccc1)Cc1ccc(O)cc1 |r|
CCCC[C@H](CNCc1ccccc1)N1CCN(CC(C)C)[C@H](Cc2ccc(O)cc2)C1 |r|
CCCC[C@H](CNCc1ccccc1)N1CCN(CC2CCCCCC2)[C@H](Cc2ccc(O)cc2)C1 |r|
CNC[C@H](Cc1ccc(O)cc1)N1CCN(CC2CCCCCC2)CC1 |r|
CNC[C@H](Cc1ccc(O)cc1)N1CCN(CCC2CC3CCC2C3)CC1 |r,TLB:17:18:22.21:24|
CNC[C@H](Cc1ccc(O)cc1)N1CCN(CCc2cccc(C)c2)[C@H](C1)C(C)C |r|
CNC[C@H](Cc1ccc(O)cc1)N1CCN(CCC2CC3CCC2C3)[C@H](C1)C(C)C |r,TLB:17:18:22.21:24|
CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CCCC(C)C)CC1 |r|
CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CC2CCCCCC2)CC1 |r|
CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CCC2CC3CCC2C3)CC1 |r,TLB:17:18:22.21:24|
CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CCc2cccc(C)c2)[C@H](C1)C(C)C |r|
CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CCCC(C)C)[C@H](C1)C(C)C |r|
CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CC2CCCCCC2)[C@H](C1)C(C)C |r|
CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CCC2CC3CCC2C3)[C@H](C1)C(C)C |r,TLB:17:18:22.21:24|
CCC(C)[C@@H](CNC)N1CCN(CCCC2CCCCC2)[C@@H](C1)C(C)C |r|
CCC(C)[C@@H](CNC)N1CCN(CCC23CC4CC(CC(C4)C2)C3)[C@@H](C1)C(C)C |r,TLB:13:14:21:17.18.19,23:14:21:17.18.19,THB:23:18:15.14.22:21,19:18:15:22.20.21,19:20:15:17.23.18|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCSC[C@H](NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cccc3ccccc23)NC1=O)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cccc3ccccc23)NC1=O)C(N)=O |r|
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7](-[#6])-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
CC(=O)NC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
[#6]-[#6]-[#6@H](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](=O)-[#7]-[#6]-[#6@H](-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]-c1ccccc1 |r|
[#6]-[#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](=O)-[#7]-[#6]-[#6@H](-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]-c1ccccc1 |r|
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
[H][C@]12CCN(CCOC)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r|
[H][C@]12CCN(CCC(C)C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r|
[H][C@@]12CCC[C@]3([H])N(CCC)CC[C@]([H])(CC(=O)C1)[C@@]23[H] |r|
[H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r|
[H][C@@]12CCN(CCC)[C@]3([H])CCC[C@@]([H])([C@@]13[H])[C@]1(CC)C(C2)=Nc2ccccc12 |r,c:24|
[H][C@]12CCN(CC3CCCCC3)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r|
[H][C@]12CCN(CCC)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r|
[H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccccc5nc4[C@@H]1CC)[C@]23[H] |r|
[H][C@]12CCN(Cc3cccs3)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r|
[H][C@]12CCN(CCC)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r|
[H][C@]12CCN(CCCCCCC)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r|
[H][C@]12CCN(CC3CCCCC3)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r|
[H][C@]12CCN(Cc3nccs3)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r|
[H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r|
[H][C@]12CCN(Cc3cccs3)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r|
[H][C@]12CCN(C(=O)NCc3ccc(Cl)cc3)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r|
[H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(CC(=O)C1)[C@]23[H] |r|
[H][C@]12CCN(CCC)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccc(OC)cc4)C(=O)C1)[C@@]23[H] |r|
[H][C@]12CCN(CCC(C)C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccc(OC)cc4)C(=O)C1)[C@@]23[H] |r|
[H][C@]12CCN(CC3CCCCC3)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccc(OC)cc4)C(=O)C1)[C@@]23[H] |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(N)=O |r|
N[C@@H](Cc1ccc(cc1)C(=O)NCCc1ccc(cc1)-c1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
N[C@@H](Cc1ccc(cc1)C(=O)NCCc1ccc(cc1)-c1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
N[C@@H](Cc1ccc(cc1)C(=O)NCCc1ccc(cc1)-c1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r|
Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)NCCc1ccc(cc1)-c1ccccc1 |r|
Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O)C(=O)NCCc1ccc(cc1)-c1ccccc1 |r|
N[C@@H](Cc1ccc(cc1)C(=O)NCCc1ccc(cc1)-c1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
N[C@@H](Cc1ccc(cc1)C(=O)NCCc1ccc(cc1)-c1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1CN[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
[H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5cc(Cl)ccc5nc4[C@@H]1CC)[C@]23[H] |r|
[H][C@@]12CCC[C@@]3([H])N(C)CC[C@@]([H])(c4cc5ccccc5nc4[C@@H]1CC)[C@]23[H] |r|
[H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r|
[H][C@]12CCN(Cc3nccs3)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r|
[H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5cccc(OC)c5nc4[C@@H]1CC)[C@]23[H] |r|
[H][C@]12CCN(CCOC)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r|
[H][C@]12CCN(CCC(C)C)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r|
[H][C@]12CCN([C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H])S(=O)(=O)c1ccc(C)cc1 |r|
[H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccc(OC)cc4)C(=O)C1)[C@@]23[H] |r|
[H][C@]12CCN(CCC)[C@]3([H])CCC[C@]([H])([C@@H](CC)[C@H](O)C1)[C@@]23[H] |r|
CC(C)C[C@@H](CSSc1ncccc1[N+]([O-])=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Cc1c(CC(O)=O)c2ccccc2n1C1CCN(Cc2ccccc2)CC1
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NN=Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
COc1cccc(c1)-c1nc(CN(C)C)nn1-c1ccc(cc1)C(C)(C)C
COc1cccc(c1)-n1nc(CN(C)C)nc1-c1ccc(C)cc1C
COc1cccc(c1)-n1nc(CN(C)C)nc1-c1ccc(cc1)C(C)(C)C
COc1cccc(c1)-n1nc(CN(C)C)nc1-c1cccc(c1)C(C)(C)C
COc1cccc(c1)-c1nc(CN(C)C)nn1-c1cccc(c1)C(C)(C)C
CN(C)Cc1nc(-c2ccc(C)cc2C)n(n1)-c1cccc(O)c1
CN(C)Cc1nc(-c2cccc(O)c2)n(n1)-c1ccc(cc1)C(C)(C)C
CN(C)Cc1nc(-c2cccc(c2)C(C)(C)C)n(n1)-c1cccc(O)c1
CN(C)Cc1nc(-c2cccc(O)c2)n(n1)-c1cccc(c1)C(C)(C)C
CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(OC)C=C[C@@]35C[C@@H]1c1ccccc1 |r,wU:7.7,17.20,wD:13.13,12.18,22.24,24.30,c:23,(-7.92,.41,;-6.59,1.18,;-5.24,.4,;-3.92,1.18,;-2.58,.41,;-2.58,-1.14,;-1.24,-1.9,;-1.24,-3.45,;.09,-4.23,;1.24,-5.25,;-1.05,-2.67,;-2.59,-2.67,;-3.91,-3.45,;-5.25,-4.22,;-6.03,-2.47,;-5.25,-1.14,;-3.92,-1.91,;-5.25,-5.76,;-6.73,-6.21,;-7.08,-7.71,;-3.83,-5.78,;-3.95,-4.22,;-2.58,-4.23,;-2.58,-5.76,;-3.91,-6.54,;-3.91,-8.08,;-5.25,-8.84,;-5.25,-10.38,;-3.91,-11.15,;-2.57,-10.37,;-2.58,-8.83,)|
COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(C[C@@H](c2ccccc2)[C@]35C=C1)OC |r,wU:7.7,17.35,wD:13.13,12.18,26.32,19.22,c:33,(-7.92,.41,;-6.59,1.18,;-5.24,.4,;-3.92,1.17,;-2.58,.41,;-2.58,-1.14,;-1.24,-1.9,;-1.24,-3.45,;.09,-4.22,;1.24,-5.25,;-1.05,-2.67,;-2.59,-2.67,;-3.91,-3.45,;-5.25,-4.22,;-6.03,-2.47,;-5.25,-1.14,;-3.91,-1.91,;-5.25,-5.76,;-3.91,-6.53,;-2.58,-5.76,;-1.25,-6.53,;-1.25,-8.07,;.08,-8.84,;1.42,-8.07,;1.41,-6.53,;.08,-5.76,;-2.58,-4.23,;-3.89,-4.21,;-3.89,-5.84,;-6.73,-6.21,;-7.07,-7.71,)|
COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(OC)C=C[C@@]35C[C@@H]1c1cccc(c1)[N+]([O-])=O |r,wU:7.7,17.20,wD:12.18,22.24,24.30,13.13,c:23,(-7.57,-14.62,;-6.24,-13.85,;-4.89,-14.63,;-3.57,-13.86,;-2.23,-14.62,;-2.23,-16.17,;-.89,-16.94,;-.89,-18.49,;.44,-19.26,;1.59,-20.28,;-.7,-17.7,;-2.24,-17.7,;-3.56,-18.48,;-4.9,-19.25,;-5.68,-17.5,;-4.9,-16.17,;-3.56,-16.94,;-4.9,-20.79,;-6.37,-21.24,;-6.72,-22.74,;-3.53,-20.81,;-3.54,-19.25,;-2.23,-19.26,;-2.23,-20.79,;-3.56,-21.57,;-3.56,-23.11,;-4.9,-23.87,;-4.89,-25.41,;-3.56,-26.18,;-2.22,-25.4,;-2.23,-23.86,;-.88,-26.16,;-.88,-27.7,;.45,-25.39,)|
COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(C[C@@H](c2cccc(c2)[N+]([O-])=O)[C@]35C=C1)OC |r,wU:7.7,17.38,wD:12.18,29.35,19.22,13.13,c:36,(-7.11,.52,;-5.77,1.29,;-4.43,.52,;-3.1,1.29,;-1.76,.53,;-1.76,-1.02,;-.42,-1.79,;-.42,-3.34,;.91,-4.11,;2.06,-5.14,;-.23,-2.55,;-1.77,-2.55,;-3.1,-3.33,;-4.43,-4.1,;-5.21,-2.35,;-4.43,-1.02,;-3.1,-1.8,;-4.44,-5.64,;-3.09,-6.42,;-1.76,-5.65,;-.43,-6.42,;-.43,-7.96,;.9,-8.73,;2.23,-7.96,;2.23,-6.41,;.9,-5.65,;3.56,-5.63,;4.9,-6.39,;3.56,-4.09,;-1.76,-4.11,;-3.07,-4.1,;-3.07,-5.66,;-5.91,-6.09,;-6.26,-7.59,)|
COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(OC)C=C[C@@]35C[C@@H]1c1ccc(cc1)[N+]([O-])=O |r,wU:7.7,17.20,wD:12.18,22.24,24.30,13.13,c:23,(-7.57,-14.63,;-6.24,-13.86,;-4.89,-14.63,;-3.57,-13.86,;-2.23,-14.62,;-2.23,-16.17,;-.89,-16.94,;-.89,-18.49,;.44,-19.26,;1.59,-20.29,;-.7,-17.7,;-2.24,-17.7,;-3.56,-18.48,;-4.9,-19.25,;-5.68,-17.5,;-4.9,-16.17,;-3.56,-16.95,;-4.9,-20.79,;-6.38,-21.24,;-6.72,-22.74,;-3.48,-20.81,;-3.54,-19.25,;-2.23,-19.26,;-2.23,-20.8,;-3.56,-21.57,;-3.56,-23.11,;-4.9,-23.87,;-4.9,-25.41,;-3.56,-26.18,;-2.22,-25.4,;-2.23,-23.87,;-3.55,-27.73,;-4.88,-28.5,;-2.22,-28.49,)|
COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(C[C@@H](c2ccc(cc2)[N+]([O-])=O)[C@]35C=C1)OC |r,wU:7.7,17.38,wD:12.18,29.35,19.22,13.13,c:36,(-7.11,.52,;-5.77,1.29,;-4.43,.52,;-3.1,1.29,;-1.76,.53,;-1.76,-1.02,;-.42,-1.79,;-.42,-3.34,;.91,-4.11,;2.06,-5.14,;-.23,-2.55,;-1.77,-2.55,;-3.1,-3.33,;-4.43,-4.1,;-5.21,-2.35,;-4.43,-1.02,;-3.1,-1.8,;-4.44,-5.64,;-3.09,-6.42,;-1.76,-5.65,;-.43,-6.42,;-.43,-7.96,;.9,-8.73,;2.23,-7.96,;2.23,-6.41,;.9,-5.65,;3.57,-8.73,;3.58,-10.27,;4.91,-7.96,;-1.76,-4.11,;-3.01,-4.1,;-3.01,-5.72,;-5.91,-6.09,;-6.26,-7.59,)|
COc1ccc2cc(ccc2c1)C(C)(O)CCN(C)Cc1ccccc1
COc1ccc2cc(ccc2c1)C(C)CCN(C)Cc1ccccc1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)NCCNC(=O)CN2Cc3ccccc3C[C@H](NC(=O)[C@@H](N)Cc3c(C)cc(O)cc3C)C2=O)C1=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1Cc2c(CN(CC(=O)NCCNC(=O)CN3Cc4[nH]c5ccccc5c4C[C@@H](NC(=O)[C@@H](N)Cc4c(C)cc(O)cc4C)C3=O)C1=O)[nH]c1ccccc21 |r|
CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2c(CN(CC(=O)NCCNC(=O)CN3Cc4[nH]c5ccccc5c4C[C@H](NC(=O)[C@H](Cc4c(C)cc(O)cc4C)N(C)C)C3=O)C1=O)[nH]c1ccccc21 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1Cc2c(CN(CC(=O)NCc3ccc(CNC(=O)CN4Cc5[nH]c6ccccc6c5C[C@@H](NC(=O)[C@@H](N)Cc5c(C)cc(O)cc5C)C4=O)cc3)C1=O)[nH]c1ccccc21 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC\C=C\CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCN(CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)NCCN(CCNC(=O)CN2Cc3ccccc3C[C@H](NC(=O)[C@@H](N)Cc3c(C)cc(O)cc3C)C2=O)CCNC(=O)CN2Cc3ccccc3C[C@H](NC(=O)[C@@H](N)Cc3c(C)cc(O)cc3C)C2=O)C1=O |r|
O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1Cc2cccc3cccc1c23
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]31C[C@H](C(C)(C)C)[C@@]4(C=C1)c1ccccc1)ccc5O |r,wU:11.12,wD:5.5,4.8,14.17,12.25,19.26,c:24,(23.09,-14.49,;24.42,-13.73,;25.17,-15.04,;26.9,-15.07,;28.41,-14.49,;29.75,-13.72,;30.67,-15.2,;29.74,-16.81,;28.42,-16.04,;27.08,-16.79,;25.75,-16.04,;25.75,-14.49,;27.07,-13.71,;27.07,-12.18,;28.41,-11.4,;28.41,-9.86,;29.73,-9.09,;27.08,-9.1,;28.39,-8.33,;29.74,-12.18,;28.68,-12.53,;28.17,-13.3,;31.08,-11.4,;32.42,-12.17,;33.75,-11.39,;33.75,-9.84,;32.4,-9.08,;31.07,-9.86,;27.07,-18.33,;28.4,-19.1,;29.74,-18.33,;31.07,-19.11,)|
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]31C[C@H](C(C)(C)C)[C@]4(OCC2CC2)C=C1)ccc5O |r,wU:11.12,wD:5.5,4.8,14.17,12.31,19.23,c:30,(6.18,-14.36,;7.51,-13.59,;8.27,-14.91,;9.99,-14.93,;11.51,-14.35,;12.85,-13.58,;13.77,-15.06,;12.84,-16.68,;11.51,-15.9,;10.17,-16.66,;8.84,-15.9,;8.84,-14.36,;10.17,-13.58,;10.17,-12.04,;11.51,-11.26,;11.5,-9.72,;12.83,-8.95,;10.17,-8.95,;11.49,-8.18,;12.84,-12.04,;14.18,-11.26,;15.49,-12.01,;16.8,-11.25,;18.31,-11.24,;17.55,-9.93,;11.78,-12.39,;11.27,-13.16,;10.17,-18.2,;11.5,-18.97,;12.84,-18.2,;14.17,-18.97,)|
CCCO[C@]12C=C[C@@]3(C[C@@H]1C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |r,wU:14.30,wD:23.23,24.32,9.10,7.6,4.3,c:5,(1.44,-11.96,;.13,-11.21,;-1.18,-11.97,;-2.5,-11.22,;-3.84,-12,;-4.9,-12.35,;-5.41,-13.12,;-6.51,-13.54,;-6.51,-12,;-5.17,-11.22,;-5.17,-9.68,;-3.85,-8.91,;-6.51,-8.92,;-5.19,-8.15,;-7.84,-14.32,;-7.84,-15.86,;-6.51,-16.62,;-6.51,-18.16,;-5.18,-18.93,;-3.84,-18.16,;-2.51,-18.94,;-3.84,-16.64,;-2.91,-15.03,;-3.83,-13.54,;-5.17,-14.31,;-6.68,-14.89,;-8.41,-14.87,;-9.17,-13.56,;-10.49,-14.32,;-5.17,-15.86,)|
CCO[C@]12C=C[C@@]3(C[C@@H]1C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |r,wU:13.29,wD:22.22,23.31,8.9,6.5,3.2,c:4,(32.35,2.87,;31.04,2.11,;29.73,2.86,;28.39,2.08,;27.33,1.73,;26.82,.96,;25.72,.54,;25.72,2.08,;27.06,2.86,;27.05,4.4,;28.38,5.17,;25.72,5.16,;27.04,5.93,;24.39,-.24,;24.39,-1.78,;25.72,-2.54,;25.72,-4.08,;27.05,-4.85,;28.39,-4.08,;29.72,-4.85,;28.39,-2.56,;29.32,-.95,;28.39,.54,;27.06,-.23,;25.54,-.81,;23.82,-.79,;23.06,.52,;21.73,-.24,;27.06,-1.78,)|
CO[C@]12C=C[C@@]3(C[C@@H]1C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |r,wU:12.28,wD:21.21,22.30,7.8,5.4,2.1,c:3,(13.48,2.74,;12.17,3.49,;10.83,2.71,;9.77,2.36,;9.26,1.59,;8.16,1.17,;8.16,2.71,;9.5,3.49,;9.49,5.03,;10.82,5.8,;8.16,5.79,;9.48,6.56,;6.83,.39,;6.83,-1.15,;8.16,-1.91,;8.16,-3.45,;9.49,-4.22,;10.83,-3.45,;12.16,-4.22,;10.83,-1.93,;11.76,-.31,;10.84,1.17,;9.5,.4,;7.99,-.18,;6.26,-.16,;5.5,1.16,;4.18,.39,;9.5,-1.15,)|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N\C(=C/c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
COc1ccc2CCN(Cc2c1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1CO
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCc2ccc(F)cc2C1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(N)=O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCc2ccc(Br)cc2C1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCc2ccccc2C1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCc2ccc(O)cc2C1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCc2ccc(cc2C1)[N+]([O-])=O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCc2ccc(N)cc2C1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccc(F)cc2CC1C(O)=O
[H][C@]12Oc3c4c(CC5C([C@@H](C)c6c1[nH]c1ccccc61)C24CCN5C(=O)\C=C\C)ccc3O |TLB:3:4:8:23.21.22|
[H][C@]12Oc3c4c(CC5C([C@@H](C)c6c1[nH]c1ccccc61)C24CCN5CC1CC1)ccc3O |TLB:3:4:8:23.21.22|
[H][C@]12Oc3c4c(CC5C([C@@H](C)c6c1[nH]c1ccccc61)C24CCN5C(C)C=C)ccc3O |TLB:3:4:8:23.21.22|
N[C@@H](Cc1c(F)cc(O)cc1F)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(O)=O)c1nc2ccccc2[nH]1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(O)=O)c1nc2ccccc2[nH]1 |r|
N[C@@H](Cc1c(F)cc(O)cc1F)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2[nH]1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2[nH]1 |r|
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(C)C)C(=O)NCC(N)=O |r|
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c(F)cc(O)cc1F)C(C)C)C(=O)NCC(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCNCc1ccccc1)C(O)=O |r|
N[C@@H](Cc1c(F)cc(O)cc1F)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCNCc1ccccc1)C(O)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCNCc1ccccc1)C(O)=O |r|
CN(C)[C@@H](Cc1c(F)cc(O)cc1F)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r|
CN(C)[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r|
CN(C)[C@@H](Cc1c(F)cc(O)cc1F)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r|
CN(C)[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r|
Cc1nc(CCCNC(=O)C(N)Cc2ccc(O)cc2)c(O)nc1CCCNC(=O)C(N)Cc1ccc(O)cc1
Cc1nc(CCCCNC(=O)C(N)Cc2ccc(O)cc2)c(O)nc1CCCCNC(=O)C(N)Cc1ccc(O)cc1
Cc1cc(O)cc(C)c1CC(N)C(=O)NCCc1nc(O)c(CCNC(=O)C(N)Cc2c(C)cc(O)cc2C)nc1C
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1CS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@@H](C1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@H](C1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O |r|
CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCNC1=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
CN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:17:21.27.20|
Oc1ccc2C[C@H]3N(Cc4ccccc4)CC[C@@]4(Cc5nc6ccccc6cc5C[C@@]34O)c2c1 |r,THB:8:7:30:4.32.5|
Oc1ccc2C[C@H]3N(CCc4ccccc4)CC[C@@]4(Cc5nc6ccccc6cc5C[C@@]34O)c2c1 |r,THB:8:7:31:4.33.5|
Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(Cc5nc6ccccc6cc5C[C@@]34O)c2c1 |r,THB:8:7:28:4.30.5|
CC(C)CN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:3:4:20:24.30.23|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(Cc5nc6ccccc6cc5C[C@@]34O)c2c1 |r,THB:8:7:27:4.29.5|
Oc1ccc2C[C@H]3N(CC4CCCC4)CC[C@@]4(Cc5nc6ccccc6cc5C[C@@]34O)c2c1 |r,THB:8:7:29:4.31.5|
CO[C@]12C=C[C@@]3(C[C@@H]1N=C=S)C1Cc4ccc(O)c5O[C@@H]2C3(CCN1C)c45 |wD:20.20,5.4,7.8,2.1,c:3,TLB:18:26:5:24.22.23,25:24:5:26.13.12,THB:4:5:26.13.12:24.22.23,(20.42,-20.53,;18.87,-20.55,;18.09,-19.26,;16.74,-18.48,;17.9,-17.38,;16.55,-16.6,;18.09,-16.63,;18.85,-17.91,;20.4,-17.91,;21.95,-17.9,;23.51,-17.87,;15.82,-15.24,;14.3,-15.21,;13.51,-16.54,;11.97,-16.5,;11.18,-17.77,;11.92,-19.13,;11.11,-20.43,;13.47,-19.16,;14.9,-20.1,;16.52,-19.22,;15.77,-17.87,;15.58,-16.5,;14.86,-15.77,;15.8,-13.69,;17.15,-12.89,;14.25,-17.84,)|
CCC(=O)N(C1CCN(CCc2ccc(cc2)N=C=S)CC1)c1ccccc1
CC1(CCCN(CC2CC2)C1)c1cccc(O)c1
CN1CC[C@]23c4c5O[C@@]2(C)C(=O)CC[C@@]3(OCCCc2ccccc2)[C@H]1Cc4ccc5O |r|
CO[C@]12CC[C@H](NCC(O)=O)[C@@H]3Oc4c5c(C[C@H]1N(C)CC[C@@]235)ccc4O |r|
CO[C@]12CC[C@@H](NCC(O)=O)[C@@H]3Oc4c5c(C[C@H]1N(C)CC[C@@]235)ccc4O |r|
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(CC[C@@H]4NCC(=O)OC(C)(C)C)OCCCc1ccccc1)ccc5O |r|
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(CC[C@H]4NCC(=O)OC(C)(C)C)OCCCc1ccccc1)ccc5O |r|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@H]2NCC(O)=O)OCCCc1ccccc1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@@H]2NCC(O)=O)OCCCc1ccccc1)ccc3O
CC(C)(C)OC(=O)CN[C@H]1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
CC(C)(C)OC(=O)CN[C@@H]1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
CCC(=O)N([C@@H]1CCN(CCc2ccc(cc2)N=C=S)C[C@H]1C)c1ccccc1
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccc(F)cc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccc(F)cc1)C(N)=O |r|
C[C@@H]([C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCC[C@H]1NC(=O)C(N)Cc1cc(C)c(O)c(C)c1)C(N)=O)c1ccccc1 |r|
C[C@H]([C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCC[C@H]1NC(=O)C(N)Cc1cc(C)c(O)c(C)c1)C(N)=O)c1ccccc1 |r|
C[C@@H]([C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1 |r|
C[C@H]([C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1 |r|
Cc1cc(CC(N)C(=O)N[C@@H]2CCCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)NC(Cc2ccc(F)cc2)C(N)=O)cc(C)c1O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(Cc1ccc(F)cc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(Cc1ccc(F)cc1)C(N)=O |r|
C[C@@H]([C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[C@H]1NC(=O)C(N)Cc1cc(C)c(O)c(C)c1)C(N)=O)c1ccccc1 |r|
C[C@H]([C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[C@H]1NC(=O)C(N)Cc1cc(C)c(O)c(C)c1)C(N)=O)c1ccccc1 |r|
C[C@@H]([C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1 |r|
C[C@H]([C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1 |r|
Cc1cc(CC(N)C(=O)N[C@@H]2CCCC[C@@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NC(Cc2ccc(F)cc2)C(N)=O)cc(C)c1O |r|
COC(=O)N1CC2C(CCCC1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |TLB:2:4:13.12:7.8.9.10,THB:25:7:13.12:4.5|
Clc1ccc(CC(=O)N2CC3CCCC(C2CN3Cc2ccccc2)N2CCCC2)cc1Cl |TLB:25:14:8.9:17.16,THB:18:17:8.9:14.13.12.11|
CC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O |r|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c4CCCCc4n(C)c21)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1nc4ccccc4nc21)ccc3O |r,TLB:10:9:17:4.5.6|
COC(=O)[C@H]1NC(=O)C(Cc2ccccc2)\C=C/CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(C)(C)SSC1(C)C |c:17|
C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1[C@@H](C)c2ccccc2CN(CC(N)=O)C1=O |r|
C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H]1[C@H](C)c2ccccc2CN(CC(N)=O)C1=O |r|
C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1[C@H](C)c2ccccc2CN(CC(N)=O)C1=O |r|
C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H]1[C@@H](C)c2ccccc2CN(CC(N)=O)C1=O |r|
C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@]1(C)Cc2ccccc2CN(CC(N)=O)C1=O |r|
C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@]1(C)Cc2ccccc2CN(CC(N)=O)C1=O |r|
C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H]1Cc2ccccc2CN(CC(N)=O)C1=O |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@@H]2N3[C@H](CO[C@@H]13)O[C@]21CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@@H]2N3[C@H](CO[C@@H]13)O[C@]21CC[C@@]2(O)[C@H]3Cc4ccc(O)c6O[C@@H]1[C@]2(CCN3C)c46)ccc5O |r|
Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@H]2CO[C@@H]3N2[C@H]1O[C@]31CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CC[C@@]34O)O[C@H]3CO[C@@H]4N3[C@H]5O[C@]43CC[C@@]4(O)[C@H]5Cc6ccc(O)cc6[C@@]4(CCN5CC4CC4)C3)c2c1 |r,TLB:8:7:19:52.4.5|
Oc1ccc2C[C@@H]3[C@@H]4CC[C@]5(O[C@H]6CO[C@@H]7N6[C@H]5O[C@]75CC[C@H]6[C@H]7Cc8ccc(O)c9O[C@@H]5[C@]6(CCN7CC5CC5)c89)[C@@H]5Oc1c2[C@]45CCN3CC1CC1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@H]2N3[C@@H](CO[C@H]13)O[C@]21CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@@H](N=C1)[C@]1(O)CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r,c:32|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@H](N=C1)[C@]1(O)CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r,c:32|
CC(C)CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@@H]2N3[C@H](CO[C@@H]13)O[C@]21CC[C@@]2(O)[C@H]3Cc4ccc(O)c6O[C@@H]1[C@]2(CCN3CC(C)C)c46)ccc5O |r|
Clc1cccc(c1)C(=O)NCC1NCCc2ccccc12
FC(F)(F)Oc1ccc(cc1)C(=O)NCC1NCCc2ccccc12
Clc1ccc(cc1)C(=O)NCC1NCCc2ccccc12
CCc1ccc(cc1)C(=O)NCC1N(C)CCc2ccccc12
Fc1ccc(cc1)C(=O)NCC1NCCc2ccccc12
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5(O)CC[C@H]2N(C)C(=O)\C=C\c1ccoc1)C(=O)OC(C)(C)C)ccc3OC |r,THB:29:9:5.4.6:13|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5(O)CC[C@H]2N(C)C(=O)\C=C\c1ccoc1)C(=O)\C=C\c1ccccc1)ccc3OC |r,THB:29:9:5.4.6:13|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5(O)CC[C@H]2N(C)C(=O)\C=C\c1ccoc1)S(=O)(=O)c1ccccc1)ccc3OC |r,THB:29:9:5.4.6:13|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5(O)CC[C@H]2N(C)C(=O)C=Cc1ccoc1)S(=O)(=O)c1ccc(cc1)N(C)C)ccc3OC
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5(O)CC[C@H]2N(C)C(=O)C=Cc1ccccn1)S(=O)(=O)c1ccccc1N(C)C)ccc3OC
Cc1cc(c2cc(cc(c2n1)F)F)NC(=O)Nc3ccc(cc3)N(C)C
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5(O)CC[C@H]2N(C)C(=O)\C=C\c1ccoc1)C(=O)C1CC1)ccc3OC |r,THB:29:9:5.4.6:13|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5(O)CC[C@H]2N(C)C(=O)C=Cc1ccoc1)S(=O)(=O)c1ccc(cc1)N(C)C)ccc3O
CC1(C)SCc2cccc(CSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H]1C(O)=O)c2
CC1(C)SCc2ccc(CSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H]1C(O)=O)cc2
CC1(C)SCc2ccccc2CSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
c1ccc(cc1)C2(CCCCC2)C(=O)OCCN3CCOCC3
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCc1ccccc1 |TLB:16:15:1:10.4.3|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CCCc6ccccc6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1)C2=O)ccc3O |r,THB:10:9:22:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1)C2=O)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CCc6ccccc6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1)C2=O)ccc3O |r,THB:10:9:21:4.5.6|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5[C@@H]5Oc1c2[C@]45CCN3CC1CC1 |r|
Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3Cc3ccccc3)c2c1 |r,THB:24:23:7:31.4.5|
Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3CCc3ccccc3)c2c1 |r,THB:24:23:7:32.4.5|
Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3CC3CCC3)c2c1 |r,THB:24:23:7:29.4.5|
Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3CC3CCCC3)c2c1 |r,THB:24:23:7:30.4.5|
CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C1c2ccccc2Sc2ccccc12 |r|
CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C(c1ccc(F)cc1)c1ccc(F)cc1 |r|
CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C(c1cccs1)c1cccs1 |r|
CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C1c2ccccc2Cc2ccccc12 |r|
CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |r|
CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccccc1N |r|
CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C1c2ccccc2CCc2ccccc12 |r|
CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C(c1ccc(C)cc1)c1ccc(C)cc1 |r|
CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C1c2ccccc2-c2ccccc12 |r|
CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C1c2ccccc2Oc2ccccc12 |r|
CCOC(=O)c1[nH]c2C[C@H]3CN(CC)CC[C@@]3(Cc2c1C)c1cccc(O)c1
CCN1CC[C@@]2(Cc3[nH]c(C(N)=O)c(C)c3C[C@H]2C1)c1cccc(O)c1
CCN(CC)C(=S)c1[nH]c2C[C@H]3CN(CC)CC[C@@]3(Cc2c1C)c1cccc(O)c1
CCN1CC[C@@]2(Cc3[nH]c(C(=O)N(C(C)C)C(C)C)c(C)c3C[C@H]2C1)c1cccc(O)c1
CCN1CC[C@@]2(Cc3[nH]c(C(=O)N(C)C)c(C)c3C[C@H]2C1)c1cccc(O)c1
CCN(CC)C(=O)c1[nH]c2C[C@H]3CN(C)CC[C@@]3(Cc2c1C)c1cccc(O)c1
Cc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O
Oc1cccc(c1)-c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O
O[C@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4-c1ccco1
COc1cccc(c1)-c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O
O[C@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4-c1ccccc1
O[C@]12Cc3c([nH]c4ccccc34)[C@H]3Oc4cccc5CC1N(CC1CC1)CC[C@@]23c45 |THB:17:18:1:21.27.26,14:29:1:21.27.26|
O[C@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4C=C
CCN(CC)C(=O)c1ccc(cc1)N([C@H]1CCN(CC=C)C[C@H]1C)c1ccccc1
CCN(CC)C(=O)c1ccc(cc1)N([C@H]1CCN(CC=C)C[C@@H]1C)c1ccccc1
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CC=C)CC1C)c1ccccc1
OC12Cc3c([nH]c4ccccc34)C3Oc4c5c(CC1N(CC1CC1)CCC235)ccc4OCCc1ccccc1 |TLB:0:1:19.24.25:16.17.15,2:1:19.24.25:16.17.15,THB:27:16:1:19.24.25,14:15:1:19.24.25,20:19:1:16.17.15|
O[C@]12Cc3c([nH]c4ccccc34)C3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4OCCCc1ccccc1 |r|
O[C@]12Cc3c([nH]c4ccccc34)C3Oc4c5c(CC1N(CC1CC1)CC[C@@]235)ccc4OCc1ccccc1 |THB:27:16:1:19.25.24,14:15:1:19.25.24|
Oc1ccc2CC3[NH+](CC4CC4)CCC45C(Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccc2ccccc2c1 |w:25.31,TLB:24:23:18.4.5:7.13.12,8:7:23:18.4.5,THB:17:18:23:7.13.12|
Oc1ccc2C[C@H]3N(Cc4ccccc4)CCC45C(Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |THB:8:7:32:21.4.5|
Oc1ccc2C[C@H]3N(CC4CCCCC4)CCC45C(Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |THB:8:7:32:21.4.5|
Oc1ccc2C[C@H]3N(CCC4CCCCC4)CCC45C(Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |THB:8:7:33:22.4.5|
O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCCCC1
C[C@H]1CC[C@H](CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |wU:4.7,1.0,(3.06,-4.01,;4.6,-4.02,;5.37,-2.69,;6.91,-2.69,;7.68,-4.02,;6.93,-5.35,;5.37,-5.35,;9.22,-4.02,;9.99,-2.68,;11.53,-2.67,;12.28,-4.01,;11.53,-5.34,;9.99,-5.34,;13.18,-5.26,;14.65,-4.79,;14.65,-3.25,;13.19,-2.76,;12.72,-1.31,;12.72,-6.7,;11.2,-7.03,;10.73,-8.49,;11.76,-9.64,;13.26,-9.32,;13.74,-7.85,)|
O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1CC[C@@H](CC1)C1CCCCC1 |wU:17.19,20.26,(14.26,-1.31,;14.73,-2.76,;16.19,-3.25,;16.19,-4.79,;14.72,-5.26,;14.26,-6.7,;12.74,-7.03,;12.27,-8.49,;13.3,-9.64,;14.8,-9.32,;15.28,-7.85,;13.82,-4.01,;13.07,-2.67,;11.53,-2.68,;10.76,-4.02,;11.53,-5.34,;13.07,-5.34,;9.22,-4.02,;8.45,-2.69,;6.91,-2.69,;6.14,-4.02,;6.91,-5.35,;8.47,-5.35,;4.6,-4.01,;3.85,-5.35,;2.29,-5.34,;1.54,-4,;2.31,-2.67,;3.85,-2.68,)|
O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCCCCC1
CC(C)[C@H]1CC[C@H](CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |wU:6.9,3.2,(2.69,-2.68,;3.46,-4.01,;2.69,-5.35,;5,-4.02,;5.77,-2.69,;7.31,-2.69,;8.06,-4.02,;7.31,-5.35,;5.77,-5.35,;9.6,-4.02,;10.37,-2.68,;11.91,-2.67,;12.68,-4.01,;11.91,-5.34,;10.37,-5.34,;13.56,-5.26,;15.03,-4.79,;15.03,-3.25,;13.59,-2.76,;13.1,-1.31,;13.1,-6.7,;11.58,-7.03,;11.11,-8.49,;12.14,-9.64,;13.66,-9.32,;14.12,-7.85,)|
O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCCC1
CC(C)[C@H]1CC[C@@H](CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |wU:6.9,wD:3.2,(2.69,-2.68,;3.46,-4.01,;2.69,-5.35,;5,-4.02,;5.77,-5.35,;7.31,-5.35,;8.06,-4.02,;7.31,-2.69,;5.77,-2.69,;9.6,-4.02,;10.37,-2.68,;11.91,-2.67,;12.68,-4.01,;11.91,-5.34,;10.37,-5.34,;13.56,-5.26,;15.03,-4.79,;15.03,-3.25,;13.59,-2.76,;13.1,-1.31,;13.1,-6.7,;11.58,-7.03,;11.11,-8.49,;12.14,-9.64,;13.66,-9.32,;14.12,-7.85,)|
CC(C)(C)[C@@H]1CC[C@@H](CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |wU:7.10,4.3,(3.06,-2.68,;3.83,-4.01,;3.06,-5.35,;2.29,-4,;5.37,-4.02,;6.14,-5.35,;7.7,-5.35,;8.45,-4.02,;7.68,-2.69,;6.14,-2.69,;9.99,-4.02,;10.76,-2.68,;12.3,-2.67,;13.05,-4.01,;12.3,-5.34,;10.76,-5.34,;13.95,-5.26,;15.42,-4.79,;15.42,-3.25,;13.96,-2.76,;13.49,-1.31,;13.49,-6.7,;14.51,-7.85,;14.03,-9.32,;12.53,-9.64,;11.5,-8.49,;11.97,-7.03,)|
O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCCCCCCCC1
O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCCCCCCC1
O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCCCCCC1
CCC[C@H]1CC[C@H](CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |wU:6.9,3.2,(1.92,-2.67,;3.46,-2.68,;4.23,-4.01,;5.77,-4.02,;6.54,-2.69,;8.08,-2.69,;8.83,-4.02,;8.08,-5.35,;6.54,-5.35,;10.37,-4.02,;11.14,-2.68,;12.68,-2.67,;13.45,-4.01,;12.68,-5.34,;11.14,-5.34,;14.33,-5.26,;15.8,-4.79,;15.8,-3.25,;14.36,-2.76,;13.87,-1.31,;13.87,-6.7,;12.35,-7.03,;11.88,-8.49,;12.91,-9.64,;14.43,-9.32,;14.89,-7.85,)|
CCN(CC)C(=O)c1ccc(cc1)C(=N\c1ccccc1Cl)\N1CCN(CC=C)CC1
CCCN(CCC)C(=O)c1ccc(cc1)C(=N\c1ccccc1Cl)\N1CCN(CC)CC1
CCN(CC)C(=O)c1ccc(cc1)C(=N\c1cccc(Cl)c1)\N1CCN(CC)CC1
CCN(CC)C(=O)c1ccc(cc1)C(=N\c1ccc(Cl)cc1)\N1CCN(Cc2ccccc2)CC1
CCN(CC)C(=O)c1ccc(cc1)C(=N\c1ccccc1C(F)(F)F)\N1CCN(CCOC)CC1
CCCN(CCC)C(=O)c1ccc(cc1)C(=N\c1ccccc1OC)\N1CCN(CC)CC1
CCN(CC)C(=O)c1ccc(cc1)C(=N\c1ccccc1F)\N1CCN(CC)CC1
CCCN1CCN(CC1)C(=N/c1ccccc1Cl)\c1ccc(cc1)C(=O)OC
CCN(CC)C(=O)c1ccc(cc1)C(=N\c1ccccc1)\N1C[C@@H](C)N(CC=C)C[C@@H]1C
CCN(CC)C(=O)c1ccc(cc1)C(=N\c1ccccc1Cl)\N1CCN(CCOC)CC1
COC(=O)c1ccc(cc1)C(=N\c1ccccc1)\N1C[C@@H](C)N(CC=C)C[C@@H]1C
CCN(CC)C(=O)c1ccc(cc1)C(=N\c1cc(Cl)cc(Cl)c1)\N1CCN(CC)CC1
CCN(CC)C(=O)c1ccc(cc1)C(=N\c1cccc(Br)c1)\N1CCN(CC)CC1
CCN(CC)C(=O)c1ccc(cc1)C(=N\c1ccccc1)\N1CCN(Cc2ccccc2)CC1
CCN(CC)C(=O)c1ccc(cc1)C(=N\c1ccccc1Cl)\N1CCN(Cc2ccccc2)CC1
CCN(CC)C(=O)c1ccc(cc1)C(=N\c1ccccc1)\N1CCN(CC)CC1
COC(=O)c1ccc(cc1)C(=N\c1ccccc1)\N1CCCN(CCc2ccccc2)CC1
CCN(CC)C(=O)c1ccc(cc1)C(=N\c1ccccc1)\N1CCN(CCc2cccs2)CC1
CCN(CC)C(=O)c1ccc(cc1)C(=N\c1ccccc1)\N1CCN(CC=C)CC1
CCN(CC)C(=O)c1ccc(cc1)C(=N\c1ccccc1Cl)\N1CCN(CCc2cccs2)CC1
CCCN1CCN(CC1)C(=N/c1cccc(Cl)c1)\c1ccc(cc1)C(=O)N(CC)CC
CCN(CC)C(=O)c1ccc(cc1)C(=N\c1cccc(Cl)c1)\N1CCN(CC=C)CC1
CCN(CC)C(=O)c1ccc(cc1)C(=N\c1ccccc1)\N1CCCN(CCc2ccccc2)CC1
CCN(CC)C(=O)c1ccc(cc1)C(=N\c1cccc(F)c1)\N1CCN(CC)CC1
CCN(CC)C(=O)c1ccc(cc1)C(=N\c1ccccc1C(F)(F)F)\N1CCN(Cc2ccccc2)CC1
COC(=O)c1ccc(cc1)C(=N\c1ccccc1Cl)\N1CCCN(CCc2ccccc2)CC1
CCN(CC)C(=O)c1ccc(cc1)C(=N\c1ccccc1Cl)\N1CCN(CC)CC1
CCN(CC)C(=O)c1ccc(cc1)C(=N\c1ccccc1Cl)\N1CCCN(CCc2ccccc2)CC1
CCN(CC)C(=O)c1ccc(cc1)C(=N\c1ccccc1C(F)(F)F)\N1CCN(CCc2ccccc2)CC1
CCN1CCN(CC1)C(=N/c1ccccc1Cl)\c1ccc(cc1)C(=O)OC
CC(C)C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O
CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O
NCCCC[C@@H]1N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O
C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCN)N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O
C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O
C[C@H]1NC[C@H](Cc2ccccc2)NC(=O)[C@H](CCN)N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O
CC[C@@H](C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O
CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
CN[C@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)CNC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(N)=O |r|
CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)CNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)CNC1=O)C(N)=O |r|
CCOC(=O)c1cnc2[C@@H]3Oc4c5c(C[C@H]6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc2c1)ccc4O
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)C#N
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(NCc2ccccc2)cc1C[C@@]35O
Nc1cnc2[C@@H]3Oc4c5c(C[C@H]6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc2c1)ccc4O
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(Br)cc1C[C@@]35O
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(CNc2ccccc2)cc1C[C@@]35O
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)[N+]([O-])=O
Cc1nc(CNC(=O)C(N)Cc2ccc(O)cc2)c(=O)[nH]c1CNC(=O)C(N)Cc1ccc(O)cc1
Cc1nc(CCNC(=O)C(N)Cc2ccc(O)cc2)c(=O)[nH]c1CCNC(=O)C(N)Cc1ccc(O)cc1
CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)=O)C(O)=O
CC(C)CC(C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)NC(C)CC(C)C
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(=O)C[C@H](NC1=O)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
CCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CC(=O)NCCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)NCCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CC(=O)NCCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
COC(COc1ccc(CC[C@](C)(O)[C@H]2C[C@]34C=C[C@]2(OC)[C@@H]2Oc5c6c(CC3N(C)CCC426)ccc5OC)cc1)C[Hg]Br |wU:11.12,wD:22.23,16.16,14.13,11.10,19.20,c:17,TLB:30:29:16:25.26.27,24:25:16:29.32.31,17:16:25.26.27:29.32.31,(19.19,-8.48,;19.96,-7.14,;19.19,-5.81,;17.65,-5.82,;16.88,-7.15,;15.34,-7.15,;14.56,-5.82,;13.03,-5.83,;12.26,-7.17,;10.72,-7.17,;9.95,-5.84,;8.41,-5.84,;8.41,-4.3,;8.41,-7.38,;6.87,-5.86,;6.1,-4.53,;4.56,-4.56,;4.95,-6.05,;5.72,-5.7,;6.12,-7.19,;6.72,-8.62,;5.79,-9.85,;4.58,-7.22,;3.02,-8.15,;1.55,-7.29,;2.29,-5.93,;1.5,-4.63,;2.22,-3.27,;3.76,-3.25,;4.51,-1.9,;5.84,-1.13,;2.97,-1.9,;3.04,-4.56,;3.81,-5.9,;-.04,-4.65,;-.79,-6,;,-7.31,;-.75,-8.66,;-2.29,-8.69,;13.04,-8.5,;14.57,-8.49,;19.95,-4.46,;21.49,-4.46,;22.24,-3.13,)|
COC(COc1ccc(CC[C@](C)(O)[C@H]2C[C@]34C=C[C@]2(OC)[C@@H]2Oc5c6c(CC3N(CC3CC3)CCC426)ccc5OC)cc1)C[Hg]Br |wU:11.12,wD:22.23,16.16,14.13,11.10,19.20,c:17,TLB:30:29:16:25.26.27,24:25:16:29.35.34,17:16:25.26.27:29.35.34,(18.92,-8.56,;19.68,-7.22,;18.91,-5.89,;17.37,-5.9,;16.6,-7.23,;15.07,-7.24,;14.29,-5.91,;12.75,-5.91,;11.99,-7.26,;10.45,-7.26,;9.67,-5.93,;8.14,-5.93,;8.13,-4.39,;8.13,-7.47,;6.6,-5.95,;5.82,-4.63,;4.29,-4.65,;4.67,-6.12,;5.44,-5.79,;5.84,-7.29,;6.45,-8.7,;5.51,-9.92,;4.32,-7.3,;2.74,-8.22,;1.27,-7.38,;2.01,-6.03,;1.22,-4.7,;1.96,-3.36,;3.5,-3.34,;4.25,-1.99,;5.58,-1.21,;7.12,-1.21,;8.45,-1.98,;8.45,-.44,;2.69,-1.98,;2.76,-4.64,;3.53,-5.98,;-.32,-4.74,;-1.07,-6.07,;-.27,-7.4,;-1.02,-8.75,;-2.56,-8.78,;12.76,-8.59,;14.3,-8.57,;19.68,-4.56,;21.22,-4.55,;21.98,-3.2,)|
COc1ccc2CC3N(C)CCC45[C@@H](Oc1c24)[C@@]1(OC)C=C[C@@]35C[C@@H]1[C@@](C)(O)CCc1ccc(OCC#C)cc1 |wU:25.32,wD:13.13,22.24,24.30,25.33,17.20,c:23,THB:9:8:22:16.5.6,15:16:22:8.11.10,21:22:16.5.6:8.11.10,(-2.56,-8.78,;-1.02,-8.75,;-.27,-7.4,;-1.07,-6.07,;-.32,-4.74,;1.22,-4.7,;1.96,-3.36,;3.5,-3.34,;4.25,-1.99,;5.58,-1.21,;2.69,-1.98,;2.76,-4.64,;3.53,-5.98,;4.32,-7.3,;2.74,-8.22,;1.27,-7.38,;2.01,-6.03,;5.84,-7.29,;6.45,-8.7,;5.51,-9.92,;5.44,-5.79,;4.67,-6.12,;4.29,-4.65,;5.82,-4.63,;6.6,-5.95,;8.14,-5.93,;8.13,-4.39,;8.13,-7.47,;9.67,-5.93,;10.45,-7.26,;11.99,-7.26,;12.75,-5.91,;14.29,-5.91,;15.07,-7.24,;16.6,-7.23,;17.37,-5.9,;18.91,-5.89,;20.45,-5.89,;14.3,-8.57,;12.76,-8.59,)|
COc1ccc2CC3N(C)CCC45[C@@H](Oc1c24)[C@@]1(OC)C=C[C@@]35C[C@@H]1[C@@](C)(O)CCc1ccc(O)cc1 |wU:25.32,wD:13.13,22.24,24.30,25.33,17.20,c:23,THB:9:8:22:16.5.6,15:16:22:8.11.10,21:22:16.5.6:8.11.10,(-2.56,-8.78,;-1.02,-8.75,;-.27,-7.4,;-1.07,-6.07,;-.32,-4.74,;1.22,-4.7,;1.96,-3.36,;3.5,-3.34,;4.25,-1.99,;5.58,-1.21,;2.69,-1.98,;2.76,-4.64,;3.53,-5.98,;4.32,-7.3,;2.74,-8.22,;1.27,-7.38,;2.01,-6.03,;5.84,-7.29,;6.45,-8.7,;5.51,-9.92,;5.44,-5.79,;4.67,-6.12,;4.29,-4.65,;5.82,-4.63,;6.6,-5.95,;8.14,-5.93,;8.13,-4.39,;8.13,-7.47,;9.67,-5.93,;10.45,-7.26,;11.99,-7.26,;12.75,-5.91,;14.29,-5.91,;15.07,-7.24,;16.6,-7.23,;14.3,-8.57,;12.76,-8.59,)|
COc1ccc2CC3N(C)CCC45[C@@H](Oc1c24)[C@@]1(OC)C=C[C@@]35C[C@@H]1[C@@](C)(O)CCc1ccc(OCC=C)cc1 |wU:25.32,wD:13.13,22.24,24.30,25.33,17.20,c:23,THB:9:8:22:16.5.6,15:16:22:8.11.10,21:22:16.5.6:8.11.10,(-2.56,-8.78,;-1.02,-8.75,;-.27,-7.4,;-1.07,-6.07,;-.32,-4.74,;1.22,-4.7,;1.96,-3.36,;3.5,-3.34,;4.25,-1.99,;5.58,-1.21,;2.69,-1.98,;2.76,-4.64,;3.53,-5.98,;4.32,-7.3,;2.74,-8.22,;1.27,-7.38,;2.01,-6.03,;5.84,-7.29,;6.45,-8.7,;5.51,-9.92,;5.44,-5.79,;4.67,-6.12,;4.29,-4.65,;5.82,-4.63,;6.6,-5.95,;8.14,-5.93,;8.13,-4.39,;8.13,-7.47,;9.67,-5.93,;10.45,-7.26,;11.99,-7.26,;12.75,-5.91,;14.29,-5.91,;15.07,-7.24,;16.6,-7.23,;17.37,-5.9,;18.91,-5.89,;19.68,-4.56,;14.3,-8.57,;12.76,-8.59,)|
C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](N)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]([C@@H](C)O)C(=O)N1)C(O)=O
C[C@@H](O)[C@H](NC(=O)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O
C[C@@H](O)[C@H](NC(=O)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O
CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC(C)(C)[C@@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O
C[C@@H](O)[C@H](NC(=O)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O
C[C@@H](O)[C@H](NC(=O)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@H](N)c1ccccc1)[C@@H](C)O)C(N)=O
CCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC(C)(C)[C@@H](NC(=O)[C@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@H](N)Cc1ccccc1
C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]([C@@H](C)O)C(=O)N1)C(O)=O
C[C@@H](O)[C@H](NC(=O)[C@@H]1NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@H](N)Cc1ccccc1)C(N)=O
CCC1C2N(CC3CC3)CCC1(C)c1cc(O)ccc1C2=O |TLB:1:2:20.13.19:4.10.9|
CCOC(=O)[C@@]1(CCCN(CC2CC2)C1)c1cccc(O)c1
CCOC(=O)[C@@]1(CCCN(CC2CC2)[C@H]1C)c1cccc(O)c1
CCOC(=O)[C@@]1(CCCN(CC=C)[C@H]1C)c1cccc(O)c1
CCOC(=O)[C@@]1(CCCN(C)[C@H]1C)c1cccc(O)c1
CCOC(=O)[C@@]1(CCCN(CCc2ccccc2)[C@H]1C)c1cccc(O)c1
CCOC(=O)[C@@]1(CCCN(C)C1)c1cccc(O)c1
CCOC(=O)[C@@]1(CCCN(CC=C)C1)c1cccc(O)c1
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)NNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
CC(C)C[C@H](N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCCO
CC[C@H](O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CO)C(O)=O
CC(C)CC(C)NC(=O)CNC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
CC(C)CC(C)NC(=O)CNC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(O)=O
CC(C)CC(C)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@H](C)O)C(=O)N1C[C@H](O)C[C@H]1C(O)=O
CCN(C(C)CC(C)C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)NCCC(C)C
CC(C)C[C@@H](N[C@@H]([C@@H](C)O)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1
CC(C)C[C@H](N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
CC(C)CC(C)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1
CC(C)CCNC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@H]3Cc1c4[nH]c2[C@@H]3Oc4c6c(C[C@@H]7[C@H](Cc12)[C@]36CCN7C)ccc4O)ccc5O |TLB:37:9:12:1.3.2,7:8:12:1.3.2|
CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2[C@@H]3Oc4c6c(C[C@H]7N(C)CC[C@@]36[C@@]7(O)Cc12)ccc4O)ccc5O |TLB:39:9:12:1.3.2,7:8:12:1.3.2|
COc1ccc2CC3[C@@H]4Cc5c6C[C@H]7[C@H]8Cc9ccc(OC)c%10O[C@@H](c6[nH]c5[C@@H]5Oc1c2[C@]45CCN3C)[C@]7(CCN8C)c9%10 |THB:4:5:8:35.33.34,30:31:8:35.33.34|
CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(cc2)N=[N+]=[N-])C(=O)N[C@H]1C(O)=O
[H][C@]1(NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccc(cc2)N=[N+]=[N-])NC(=O)[C@@H](CSSC(C)(C)[C@@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O
[H][C@]1(NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC(C)(C)[C@@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O
CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N[C@H]1C(O)=O
CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccc(Br)cc2)C(=O)N[C@H]1C(O)=O
CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N[C@H]1C(O)=O
CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N[C@H]1C(O)=O
CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccc(I)cc2)C(=O)N[C@H]1C(O)=O
CC(N1CCC2(CC1)N(CNC2=O)c1ccc(cc1)[N+]#N)c1ccc(Cl)cc1
CCC(=O)N(c1ccccc1)C1(CCN(CCc2ccc(cc2)N=[N+]=[N-])CC1)C(=O)OC
CN(C1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45)c1ccc(cc1)N=[N+]=[N-] |TLB:14:25:5:20.18.19,10:9:5:20.18.19,THB:4:5:25.9.8:20.18.19|
CC(N1CCC2(CC1)N(CNC2=O)c1ccc(cc1)N=[N+]=[N-])c1ccc(Cl)cc1
CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)[N+]#N)cc1
CN(C1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45)c1ccc(cc1)[N+]#N |TLB:14:25:5:20.18.19,10:9:5:20.18.19,THB:4:5:25.9.8:20.18.19|
CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)N=[N+]=[N-])cc1
CC(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(Cl)cc1
CCC(=O)N(c1ccccc1)C1(CCN(CCc2ccc(N=[N+]=[N-])c(I)c2)CC1)C(=O)OC
Oc1cccc(CCN(CCc2ccccc2)CC2CCCCC2)c1
Oc1cccc(CCN(CCc2ccccc2)Cc2ccccc2)c1
CC(C)CCN(CCc1ccccc1)CCc1cccc(O)c1
Oc1cccc(CCN(CCc2cccc(O)c2)CC2CCC2)c1
Oc1cccc(CCN(CCc2cccc(O)c2)CC2CC2)c1
Oc1cccc(CCN(CCc2cccc(O)c2)CC2CCCCC2)c1
Oc1cccc(CCN(CCc2cccc(O)c2)CC2CCCC2)c1
CC(C)CCN(CCc1cccc(O)c1)CCc1cccc(O)c1
Oc1ccc(CCN(CCc2cccc(O)c2)CC2CCCCC2)cc1
Oc1ccc(CCN(CCc2cccc(O)c2)CC=C)cc1
Oc1cccc(CCN(CCc2ccccc2)CC2CCC2)c1F
Oc1cccc(CCN(CCc2ccccc2)CC2CCCCC2)c1F
Oc1cccc(CCN(CCc2cccc(O)c2F)CC2CCC2)c1
C(Cc1ccccc1)N(CCc1ccccc1)CC1CCC1
Oc1cccc(CCN(CCc2ccccc2)CC2CCCC2)c1
Oc1cccc(CCN(CCc2ccccc2)C2CCC2)c1
Oc1cccc(CCN(CCc2cccc(O)c2)CC=C)c1
Oc1ccc(CCN(CCc2cccc(O)c2)CC2CCC2)cc1
Oc1ccc(CCN(CCc2cccc(O)c2)CC2CC2)cc1
Oc1ccc(CCN(CCc2cccc(O)c2F)CC2CCC2)cc1
CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(C)=O
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(N)=O
CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(O)=O
CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(O)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(O)=O
CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(N)=O
CC(C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O
CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(N)=O
CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(O)=O
CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(N)=O
CC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(N)=O
CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
COC(=O)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C
COC(=O)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(C)(C)SSC1(C)C
[H][C@@]12CC[C@]([H])(C[C@H](C1)c1cccc(O)c1)N2CCCCN1C(=O)c2ccccc2C1=O |r,TLB:9:7:16:3.2|
C[C@H]1CN(CC[C@@]1(C)c2cccc(c2)O)C[C@H](Cc3ccccc3)C(=O)NCC(=O)O
Oc1cccc(c1)C1CC2CCC(C1)N2CCCc1ccccc1 |TLB:5:7:10.11:14|
[H][C@@]12CC[C@]([H])(CC(C1)c1cccc(O)c1)N2CCCc1ccccc1 |r,@@:7,TLB:9:7:3.2:16|
[H][C@@]12CC[C@]([H])(CC(C1)c1cccc(c1)C(N)=O)N2CCCc1ccccc1 |r,@:7,TLB:9:7:3.2:18|
[H][C@@]12CC[C@]([H])(C[C@H](C1)c1cccc(O)c1)N2CCCCCCC |r,TLB:9:7:16:2.3|
[H][C@@]12CC[C@]([H])(C[C@H](C1)c1cccc(c1)C(N)=O)N2CCCCCCC |r,TLB:9:7:18:3.2|
[H][C@@]12CC[C@]([H])(CC(C1)c1cccc(O)c1)N2Cc1c(F)cccc1F |r,@:7,TLB:9:7:16:3.2|
[H][C@@]12CC[C@]([H])(CC(C1)c1cccc(c1)C(N)=O)N2Cc1c(F)cccc1F |r,@@:7,TLB:9:7:3.2:18|
[H][C@@]12CC[C@]([H])(CC(C1)c1cccc(O)c1)N2CCCOc1ccccc1 |r,@@:7,TLB:9:7:16:2.3|
[H][C@@]12CC[C@]([H])(CC(C1)c1cccc(c1)C(N)=O)N2CCCOc1ccccc1 |r,@@:7,TLB:9:7:18:2.3|
[H][C@@]12CC[C@]([H])(CC(C1)c1cccc(O)c1)N2Cc1ccc(cc1)C(C)(C)C |r,@@:7,TLB:9:7:3.2:16|
[H][C@@]12CC[C@]([H])(CC(C1)c1cccc(c1)C(N)=O)N2Cc1ccc(cc1)C(C)(C)C |r,@:7,TLB:9:7:3.2:18|
[H][C@@]12CC[C@]([H])(CC(C1)c1cccc(c1)C(N)=O)N2CCCCN1C(=O)c2ccccc2C1=O |r,@@:7,TLB:9:7:3.2:18|
[H][C@@]12CC[C@]([H])(CC(C1)c1cccc(O)c1)N2CC(=O)C1CCCCC1 |r,@@:7,TLB:9:7:3.2:16|
[H][C@@]12CC[C@]([H])(CC(C1)c1cccc(c1)C(N)=O)N2CC(=O)C1CCCCC1 |r,@@:7,TLB:9:7:3.2:18|
[H][C@@]12CC[C@]([H])(CC(C1)c1cccc(O)c1)N2CC(O)Cc1ccccc1 |r,@:7,TLB:9:7:3.2:16|
[H][C@@]12CC[C@]([H])(CC(C1)c1cccc(c1)C(N)=O)N2CC(O)Cc1ccccc1 |r,@:7,TLB:9:7:3.2:18|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C(O)=O)C(C)(C)SSC1(C)C
Cn1c2C[C@H]3CCN(C[C@@H]3Cc2c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56)C(=O)OCc1ccccc1 |THB:19:18:14:30.28.29,23:35:14:30.28.29|
Cn1c2C[C@H]3CCNC[C@@H]3Cc2c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56 |THB:23:35:14:30.28.29,19:18:14:30.28.29|
CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)O |r|
C[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)O |r|
CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)O
CC[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)O
CC1NC(=O)C(NC(=O)C(N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)C(NC(=O)C(Cc2ccccc2)NC1=O)C(O)O
CN1CC[C@]23[C@@H]4Cc5c([nH]c6ccccc56)[C@H]2[C@H]1Cc1ccc(O)c(O4)c31
Oc1ccc2C[C@@H]3[C@@H]4c5[nH]c6ccccc6c5C[C@@H]5Oc1c2[C@]45CCN3CC1CC1
C[C@@H](O)[C@H](NC(=O)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@H](Cc1ccccc1)NC(O)=O)[C@@H](C)O)C(N)=O
Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)C1(Cc2ccccc2C1)C[C@@]35O |TLB:17:18:31:7.13.12,3:4:31:7.13.12|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCNC(=O)CNC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cccc3ccccc23)NC1=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCNC(=O)CNC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O
[H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(=O)CNC2=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCNC(=O)CNC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCNC(=O)CNC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCNC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCNC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc3ccccc3c2)NC1=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCCNC(=O)CNC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O
CN1CCC2(CC1c1c(C2)[nH]c2ccccc12)c1cccc(O)c1
CN1CCC2(C[C@@H](CC1C2)NC(=O)c1ccccc1)c1cccc(O)c1
CCCCCCCN1CCC2(CC1Cc1[nH]c3ccccc3c21)c1cccc(O)c1
CN1CCC2(CC1Cc1[nH]c3ccc4ccccc4c3c21)c1cccc(O)c1
CCCCCCN1CCC2(CC1Cc1[nH]c3ccccc3c21)c1cccc(O)c1
CN1CCC2(CC1c1cc3ccccc3nc1C2)c1cccc(O)c1
Oc1cccc(c1)C12CCN(CC3CC3)C(Cc3[nH]c4ccccc4c13)C2
CN1CCC2(CC1c1c(C2)[nH]c2c1ccc1ccccc21)c1cccc(O)c1
CCCN1CCC2(CC1Cc1[nH]c3ccccc3c21)c1cccc(O)c1
Oc1cccc(c1)C12CCN(CC=C)C(Cc3[nH]c4ccccc4c13)C2
CN1CCC2(C[C@@H](CC1C2)NC(=O)Cc1ccccc1)c1cccc(O)c1
Oc1cccc(c1)C12CCN(Cc3ccccc3)C(Cc3[nH]c4ccccc4c13)C2
CCCCCN1CCC2(CC1Cc1[nH]c3ccccc3c21)c1cccc(O)c1
Oc1cccc(c1)C12CCNC(Cc3[nH]c4ccccc4c13)C2
CCCCN1CCC2(CC1Cc1[nH]c3ccccc3c21)c1cccc(O)c1
CN1CCC2(CC1CC(C2)=NNc1ccccc1)c1cccc(O)c1 |w:10.12|
CN1CCC2(CC1Cc1[nH]c3c(ccc4ccccc34)c21)c1cccc(O)c1
CCN1CCC2(CC1Cc1[nH]c3ccccc3c21)c1cccc(O)c1
CCC(=O)N([C@H]1CCN(CCc2ccccc2)C[C@@H]1C)c1ccccc1
CCC(=O)N([C@@H]1CCN(CCc2ccccc2)C[C@H]1C)c1ccccc1
COc1ccc2c3c(CC4CC3(CCN4C)c3cccc(O)c3)[nH]c2c1
CN1CCC2(CC1Cc1[nH]c3ccccc3c21)c1ccccc1
CCC[C@](C)(O)[C@H]1C[C@]23C=C[C@]1(O)[C@@H]1Oc4c5c(C[C@H]2N(C)CC[C@@]315)ccc4O |c:9,TLB:3:6:9.10:24.13,THB:7:8:16.17.18:20.23.22,9:8:16.17.18:20.23.22|
COc1cccc2CC3(Cc12)C[C@@]1(O)C2Cc4ccc(O)c5OC(C3=O)C1(CCN2C)c45 |TLB:21:31:12:29.27.28,13:12:31.16.15:29.27.28,30:29:12:31.16.15|
CN1CCC23C4Oc5c2c(CC1[C@]3(O)CC1(Cc2cc3ccccc3cc2C1)C4=O)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
COc1cccc2CC3(Cc12)C[C@@]1(O)C2Cc4ccc(O)c5OC(C3=O)C1(CCN2CC1CC1)c45 |TLB:30:29:12:34.16.15,21:34:12:29.27.28,13:12:34.16.15:29.27.28|
CCCCc1c(C)[nH]c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CCC35[C@@]6(O)Cc12)ccc4O |THB:17:16:24:12.13.14,11:12:24:16.22.21,25:24:12.13.14:16.22.21|
Cc1[nH]c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CCC35[C@@]6(O)Cc2c1C)ccc4O |THB:12:11:19:7.8.9,6:7:19:11.17.16,20:19:7.8.9:11.17.16|
Cc1[nH]c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CCC35[C@@]6(O)Cc2c1Cc1ccccc1)ccc4O |THB:12:11:19:7.8.9,6:7:19:11.17.16,20:19:7.8.9:11.17.16|
Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1[nH]cc(c1C[C@@]35O)-c1ccccc1 |TLB:26:25:18.4.5:7.13.12,THB:8:7:25:18.4.5,17:18:25:7.13.12|
COc1cccc(c1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccc(cc1)C(=O)N1CCCCCC1
CCCCN(CCCC)C(=O)c1ccc(cc1)[C@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1
CCC(CC)NC(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1
CCCN(CCC)C(=O)c1ccc(cc1)[C@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1
COc1cccc(c1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccc(cc1)C(=O)N1CCCCC1
CCCCN(CC)C(=O)c1ccc(cc1)[C@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1
CCCCN(CCCC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1
COc1cccc(c1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccc(cc1)C(=O)N(C)C
CCNC(=O)c1ccc(cc1)[C@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1
CCN(C)C(=O)c1ccc(cc1)[C@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1
COc1cccc(c1)[C@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccc(cc1)C(N)=O
COc1cccc(c1)[C@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccc(cc1)C(=O)NC(C)(C)C
COc1cccc(c1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccc(cc1)C(=O)N(C(C)C)C(C)C
COc1cccc(c1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccc(cc1)C(=O)N1CCCC1
COc1cccc(c1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccc(cc1)C(N)=O
CCNC(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1
C[C@@H](O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(N)=O
C[C@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)C(C)C)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)NCC(N)=O
C[C@@H](O[C@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
C[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@H](C)O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)C(=O)NCC(N)=O
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C(C)C)C(=O)NCC(N)=O
CNC(Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2CC1C(O)=O
CN(C)[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2CC1C(O)=O
CN[C@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(N)=O
C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](Cc1c(C)cc(O)cc1C)N(C)C)C(O)=O
CC(Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(O)=O
C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](N)Cc1c(C)cc(O)cc1C)C(O)=O
CN[C@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)C(O)=O
CCN(CC)C(=O)c1[nH]c2C[C@]3(CCN(CC4CC4)C[C@@H]3Cc2c1C)c1cccc(O)c1
CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(Br)cc2)C(=O)N[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(I)c1
CCN(CC)C(=O)c1ccc(cc1)[C@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(I)c1
CCN(CC)C(=O)c1ccc(cc1)[C@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(F)c1
[H][C@@]12CCC[C@@]3(O)[C@@]4([H])Cc5ccc(O)c(O1)c5[C@@]23CCN4C |r,TLB:22:21:5:17.10.9|
CO[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(C)CC[C@@]235)ccc4O |r|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CCC2=O)OCc1ccccc1)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12CCC[C@@]3(OCc4ccccc4)[C@@]4([H])Cc5ccc(O)c(O1)c5[C@@]23CCN4C |r,TLB:29:28:5:24.17.16|
[H][C@@]12CCC[C@@]3(OC)[C@@]4([H])Cc5ccc(O)c(O1)c5[C@@]23CCN4C |r,TLB:23:22:5:18.11.10|
[H][C@@]12Cc3ccc(O)c4O[C@@]5(C)CCC[C@]1(OC)[C@@]5(CCN2C)c34 |r,TLB:22:21:15:23.3.2|
CC(C)Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1 |TLB:20:21:26:10.16.15,6:7:26:10.16.15|
COC(=O)COc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1 |TLB:22:23:28:12.18.17,8:9:28:12.18.17|
Clc1ccc(\C=C\C(=O)N[C@]23CCC(=O)[C@@H]4Oc5c6c(CC2N(CC2CC2)CC[C@@]346)ccc5OCC2CC2)cc1 |THB:17:18:10:22.28.27,30:19:10:22.28.27|
Clc1ccc(\C=C\C(=O)N[C@]23CCC(=O)[C@@H]4Oc5c6c(CC2N(CC2CC2)CC[C@@]346)ccc5OCC#C)cc1 |THB:17:18:10:22.28.27,30:19:10:22.28.27|
Clc1ccc(\C=C\C(=O)N[C@]23CCC(=O)[C@@H]4Oc5c6c(CC2N(CC2CC2)CC[C@@]346)ccc5OCC=C)cc1 |THB:17:18:10:22.28.27,30:19:10:22.28.27|
CCCOc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1 |TLB:20:21:26:10.16.15,6:7:26:10.16.15|
Clc1ccc(\C=C\C(=O)N[C@]23CCC(=O)[C@@H]4Oc5c6c(CC2N(CC2CC2)CC[C@@]346)ccc5OCC#N)cc1 |THB:17:18:10:22.28.27,30:19:10:22.28.27|
Cc1cc(-c2ccccc2)c2C[C@@]3(O)[C@H]4Cc5ccc(O)c6OC(c2n1)[C@]3(CCN4CC1CC1)c56
Cc1nc2C3Oc4c5c(C[C@H]6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc2c(n1)-c1ccccc1)ccc4O
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1nccc(-c2ccccc2)c1C[C@@]35O
CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(CC=C)CC1)c1cccc(OC)c1
CCN(CC)C(=O)c1ccc(cc1)C(C1CCNCC1)c1cccc(OC)c1
CCN(CC)C(=O)c1ccc(cc1)C(N(C)CCN(C)C)c1cccc(OC)c1
CCN(CC)C(=O)c1ccc(cc1)C(OCCN(C)C)c1cccc(OC)c1
CCN(CC)C(=O)c1ccc(cc1)C(C1CCN(CC=C)CC1)c1cccc(OC)c1
CCN(CC)C(=O)c1ccc(cc1)C(C1CCN(C)CC1)c1cccc(OC)c1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(-[#8]-[#6])c1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2ccccc2)-[#6]-[#6]-1)\c1cccc(-[#8]-[#6])c1
CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(Cc2ccccc2)CC1)c1ccccc1
CCN(CC)C(=O)c1ccc(cc1)C(NCCN(C)C)c1cccc(OC)c1
[H][C@]12CN(Cc3ccccc3)C3CCC4(O1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23 |r,TLB:3:11:25:15.1,2:1:25:12.13.11,13:14:28.27.26:17.24.18,24:25:15.1:12.13.11,29:28:14:17.24.18,23:24:28.27.26:14,THB:26:25:15.1:12.13.11|
[H][C@]12CN(C3CCC4(O1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)c1ccccc1 |r,TLB:3:4:18:8.1,2:1:18:5.6.4,6:7:21.20.19:10.17.11,17:18:8.1:5.6.4,22:21:7:10.17.11,16:17:21.20.19:7,THB:19:18:8.1:5.6.4|
[H][C@]12CN(C3CCC4(O1)C1Cc5ccc(O)cc5C4(CCN1C)C23)C(=O)c1ccccc1 |r,TLB:3:4:18:8.1,2:1:18:5.6.4,6:7:21.20.19:10.17.11,17:18:8.1:5.6.4,16:17:21.20.19:7,THB:19:18:8.1:5.6.4|
[H][C@]12CN(C3CCC4(O1)C1Cc5ccc(O)cc5C4(CCN1CC=C)C23)C(=O)c1ccccc1 |r,TLB:3:4:18:8.1,2:1:18:5.6.4,6:7:21.20.19:10.17.11,17:18:8.1:5.6.4,16:17:21.20.19:7,THB:19:18:8.1:5.6.4|
[H][C@]12CN(C3CCC4(O1)C1Cc5ccc(O)cc5C4(CCN1CCc1ccccc1)C23)C(=O)c1ccccc1 |r,TLB:3:4:18:8.1,2:1:18:5.6.4,6:7:21.20.19:10.17.11,17:18:8.1:5.6.4,16:17:21.20.19:7,THB:19:18:8.1:5.6.4|
[H][C@]12CN(C3CCC4(O1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)S(=O)(=O)c1ccccc1 |r,TLB:16:17:21.20.19:7,3:4:18:8.1,2:1:18:5.6.4,6:7:21.20.19:10.17.11,17:18:8.1:5.6.4,THB:19:18:8.1:5.6.4|
[H][C@]12CN(C3CCC4(O1)C1Cc5ccc(O)cc5C4(CCN1CC(C)C)C23)C(=O)c1ccccc1 |r,TLB:3:4:18:8.1,2:1:18:5.6.4,6:7:21.20.19:10.17.11,17:18:8.1:5.6.4,16:17:21.20.19:7,THB:19:18:8.1:5.6.4|
[H][C@]12CN(C3CCC4(O1)C1Cc5ccc(O)cc5C4(CCN1CCCOC)C23)C(=O)c1ccccc1 |r,TLB:3:4:18:8.1,2:1:18:5.6.4,6:7:21.20.19:10.17.11,17:18:8.1:5.6.4,16:17:21.20.19:7,THB:19:18:8.1:5.6.4|
CCN1CC[C@]23Cc4[nH]c5ccccc5c4C[C@H]2[C@H]1Cc1ccc(OC)c(O)c31
COc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3C)c2c1O)[nH]c1ccccc51
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c2c1O
CCN1CC[C@]23Cc4[nH]c5ccccc5c4C[C@@]2(O)[C@H]1Cc1ccc(OC)c(O)c31
COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O
CCC(=N)NCCCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:35:34:44.38.37:29.31.30|
CC[C@@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
CCCCC(=N)NCCCCCCNC(=O)C(CC(C)C)NC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:34:33:43.37.36:28.30.29|
CCCC(=N)NCCCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:36:35:45.39.38:30.32.31|
CC(C)CC(NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1)C(=O)NCCCNC(N)=N |TLB:22:21:31.25.24:16.18.17|
CCCC(=N)NCCCCCCNC(=O)C(CC(C)C)NC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:33:32:42.36.35:27.29.28|
CC(C)CC(NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1)C(=O)NCCCCCN |TLB:22:21:31.25.24:16.18.17|
CCCC(=N)NCCCCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:37:36:46.40.39:31.33.32|
CC(C)CC(NC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1)C(=O)NCCCCCCNC(N)=N |TLB:18:17:27.21.20:12.14.13|
CCCCC(=N)NCCCCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:38:37:47.41.40:32.34.33|
CCCCC(=N)NCCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:36:35:45.39.38:30.32.31|
CCC(=N)NCCCCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:36:35:45.39.38:30.32.31|
CC(C)CC(NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1)C(=O)NCCCN |TLB:22:21:31.25.24:16.18.17|
CCCCC(=N)NCCCCCNC(=O)C(CC(C)C)NC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:33:32:42.36.35:27.29.28|
CC(C)CC(NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1)C(=O)NCCCCCCNC(N)=N |TLB:22:21:31.25.24:16.18.17|
CCC(=N)NCCCCCCNC(=O)C(CC(C)C)NC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:32:31:41.35.34:26.28.27|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1)C(=O)OC |TLB:37:38:43:53.47.46,THB:52:53:43:38.40.39|
CC(C)CC(NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1)C(=O)NCCCCCNC(N)=N |TLB:22:21:31.25.24:16.18.17|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@]1(C[C@@H]1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1)C(=O)OC |TLB:33:34:39:49.43.42,THB:48:49:39:34.36.35|
CC(C)CC(NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1)C(=O)NCCCCCCN |TLB:22:21:31.25.24:16.18.17|
CCCC(=N)NCCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:35:34:44.38.37:29.31.30|
CC(C)CC(NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1)C(=O)NCCCCNC(N)=N |TLB:22:21:31.25.24:16.18.17|
CCCC(=N)NCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:34:33:43.37.36:28.30.29|
CCCCC(=N)NCCCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:37:36:46.40.39:31.33.32|
CC(C)CC(NC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1)C(=O)NCCCCCCN |TLB:18:17:27.21.20:12.14.13|
CCC(=N)NCCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:34:33:43.37.36:28.30.29|
CCC(=N)NCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:33:32:42.36.35:27.29.28|
CC(C)CC(NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1)C(=O)NCCCCN |TLB:22:21:31.25.24:16.18.17|
CCCCC(=N)NCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:35:34:44.38.37:29.31.30|
[H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)c1ccccc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1|
[H][C@]12CN(Cc3ccccc3)C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23 |r,TLB:24:25:11.13.12:15.1,23:24:14:28.27.26,13:14:28.27.26:17.18.24,15:14:28.27.26:17.18.24,2:1:25:11.13.12,3:11:25:15.1,29:28:14:17.18.24,THB:19:18:14:28.27.26,26:25:11.13.12:15.1|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(NC(=O)CBr)cc1)NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(O)cc1)N(Cc1ccccc1)Cc1ccccc1)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(NC(=O)CBr)cc1)NC(=O)C(C)NC(=O)C(C)NC(=O)C(Cc1ccc(O)cc1)N(CC=C)CC=C)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(NCCl)cc1)NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(O)cc1)N(Cc1ccccc1)Cc1ccccc1)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(cc1)N=C=S)NC(=O)C(C)NC(=O)C(C)NC(=O)C(Cc1ccc(O)cc1)N(CC=C)CC=C)C(O)=O
[H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)c1ccoc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1|
[H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)c1ccccn1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1|
[H][C@]12CN(CC3CCCCC3)C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23 |r,TLB:24:25:11.13.12:15.1,23:24:14:28.27.26,13:14:28.27.26:17.18.24,15:14:28.27.26:17.18.24,2:1:25:11.13.12,3:11:25:15.1,29:28:14:17.18.24,THB:19:18:14:28.27.26,26:25:11.13.12:15.1|
[H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)Oc1ccccc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1|
[H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)c1cnccn1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1|
[H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)c1ccccc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1|
[H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)Nc1ccccc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCNC(=O)CNC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O
C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Cc1cc(O)cc(C)c1C[C@H](NC=O)C(=O)N[C@@H]1CCCNC(=O)CNC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O
C[C@@H](O)[C@@H]1NC(=O)[C@H](CC2CCCCC2)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Cc1cc(O)cc(C)c1CCC(=O)N[C@@H]1CCCNC(=O)CNC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O
NC(N)=Nc1cccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c12)ccc5O |wU:26.30,wD:25.27,11.11,TLB:13:14:26:18.24.23,31:15:26:18.24.23,(11.34,-12.46,;12.23,-13.7,;13.75,-13.56,;11.58,-15.1,;12.47,-16.36,;14,-16.22,;14.87,-17.48,;14.24,-18.86,;12.72,-19,;11.81,-20.24,;10.36,-19.75,;9.01,-20.49,;8.59,-21.98,;6.37,-21.99,;6.37,-20.45,;5.04,-19.68,;5.05,-18.14,;6.39,-17.38,;6.42,-15.84,;5.09,-15.06,;5.09,-13.52,;4.32,-12.18,;5.88,-12.19,;5.32,-16.92,;5.72,-18.42,;7.68,-19.7,;7.72,-18.16,;8.12,-16.67,;9.06,-17.41,;10.38,-18.21,;11.84,-17.76,;3.72,-20.45,;3.72,-21.99,;5.04,-22.76,;5.04,-24.3,)|
NC(N)=Nc1ccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c2c1)[C@]4(CCN5CC1CC1)c67 |wU:10.10,wD:26.39,21.20,THB:19:34:10:29.27.28,15:14:10:29.27.28,(16.18,-14.68,;17.06,-15.94,;18.6,-15.8,;16.41,-17.34,;14.87,-17.48,;14,-16.22,;12.47,-16.36,;11.84,-17.76,;10.38,-18.21,;9.06,-17.41,;7.72,-18.16,;8.12,-16.67,;6.39,-17.38,;5.05,-18.14,;5.04,-19.68,;3.72,-20.45,;3.72,-21.99,;5.04,-22.76,;5.04,-24.3,;6.37,-21.99,;8.59,-21.98,;9.01,-20.49,;10.36,-19.75,;11.81,-20.24,;12.72,-19,;14.24,-18.86,;7.68,-19.7,;5.72,-18.42,;5.32,-16.92,;6.42,-15.84,;5.09,-15.06,;5.09,-13.52,;4.32,-12.18,;5.88,-12.19,;6.37,-20.45,)|
NC(N)=Nc1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)[C@]4(CCN5CC1CC1)c67 |wU:11.11,wD:26.39,22.21,THB:20:34:11:29.27.28,16:15:11:29.27.28,(17.3,-18.58,;16.66,-19.98,;17.55,-21.24,;15.13,-20.12,;14.24,-18.86,;14.87,-17.48,;14,-16.22,;12.47,-16.36,;11.84,-17.76,;10.38,-18.21,;9.06,-17.41,;7.72,-18.16,;8.12,-16.67,;6.39,-17.38,;5.05,-18.14,;5.04,-19.68,;3.72,-20.45,;3.72,-21.99,;5.04,-22.76,;5.04,-24.3,;6.37,-21.99,;8.59,-21.98,;9.01,-20.49,;10.36,-19.75,;11.81,-20.24,;12.72,-19,;7.68,-19.7,;5.72,-18.42,;5.32,-16.92,;6.42,-15.84,;5.09,-15.06,;5.09,-13.52,;4.32,-12.18,;5.88,-12.19,;6.37,-20.45,)|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NOC(=O)[C@@H](C)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNOC(=O)CCc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CSCC1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O
CC1(C)OCC(N1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O
CC1(C)OCC(N1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O
CC1(C)SCC(N1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O
CC1(C)SCC(N1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1COCC1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CSCC1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1COCC1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O
CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(C)C[C@H]1C)c1ccccc1
CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(CC=C)C[C@H]1C)c1cccc(OC)c1
CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(CC2CC2)C[C@@H]1C)c1cccc(OC)c1
CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(CC2CC2)C[C@H]1C)c1cccc(OC)c1
CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(CC=C)C[C@H]1C)c1ccccc1
CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(CC=C)C[C@@H]1C)c1cccc(O)c1
CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(C)C[C@@H]1C)c1ccccc1
CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(CC2CC2)C[C@H]1C)c1ccccc1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#7](-[#6@@H]-1-[#6]-[#6]-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@@H]-1-[#6])-c1cccc(-[#8]-[#6])c1
CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(CC=C)C[C@@H]1C)c1cccc(OC)c1
CCN(CC)C(=O)c1ccc(cc1)N(C1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccccc1
CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(C\C=C\c2ccccc2)C[C@@H]1C)c1ccccc1
CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(C)C[C@@H]1C)c1cccc(OC)c1
CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(CC(C)=C)C[C@@H]1C)c1ccccc1
CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(CC(C)=C)C[C@@H]1C)c1cccc(OC)c1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#7](-[#6@@H]-1-[#6]-[#6]-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@@H]-1-[#6])-c1ccccc1
CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(CC2CC2)C[C@@H]1C)c1ccccc1
CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(C\C=C\c2ccccc2)C[C@@H]1C)c1cccc(OC)c1
CC(=C)N1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:26:11:14:3.5.4,9:10:14:3.5.4|
CCCCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:28:13:16:5.7.6,11:12:16:5.7.6|
CC(C)CCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:28:13:16:5.7.6,11:12:16:5.7.6|
CC(C)N1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:26:11:14:3.5.4,9:10:14:3.5.4|
CCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:25:10:13:2.4.3,8:9:13:2.4.3|
CC(C)=CCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |wU:16.19,wD:8.12,9.9,TLB:28:13:16:5.7.6,11:12:16:5.7.6,(18.49,-4.11,;16.98,-3.92,;16.37,-2.5,;16.05,-5.14,;14.51,-4.95,;13.58,-6.19,;12.27,-6.96,;12.11,-9.25,;13.2,-10.34,;13.97,-11.68,;11.98,-12.74,;10.89,-11.66,;11.66,-10.34,;10.89,-9.02,;11.66,-7.7,;13.2,-7.7,;13.97,-9.02,;14.74,-7.68,;15.51,-9.02,;16.28,-10.33,;15.51,-11.68,;16.53,-12.83,;17.95,-12.19,;19.36,-12.83,;20.61,-11.91,;20.45,-10.36,;19.04,-9.75,;17.78,-10.65,;9.38,-9.02,;8.61,-10.33,;9.38,-11.66,;8.61,-12.99,)|
C\C=C\CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:27:12:15:4.6.5,10:11:15:4.6.5|
CCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:26:11:14:3.5.4,9:10:14:3.5.4|
CCCCCCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:30:15:18:7.9.8,13:14:18:7.9.8|
CC(C)CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:27:12:15:4.6.5,10:11:15:4.6.5|
CCCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:27:12:15:4.6.5,10:11:15:4.6.5|
CCCCCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:29:14:17:6.8.7,12:13:17:6.8.7|
CC1CN(CCc2ccccc2)C2C[C@@H](CC1(C2)c1cccc(O)c1)NC(=O)CCCN(C)C |THB:0:1:17:13.14.15,4:3:17:13.14.15|
CC1CN(CCc2ccccc2)C2C[C@@H](CC1(C2)c1cccc(O)c1)NC(=O)CCN1CCCCC1 |THB:0:1:17:13.14.15,4:3:17:13.14.15|
CC1CN(CCc2ccccc2)C2C[C@@H](CC1(C2)c1cccc(O)c1)NC(=O)CCCNC(N)=N |THB:0:1:17:13.14.15,4:3:17:13.14.15|
CC1CN(CCc2ccccc2)C2C[C@@H](CC1(C2)c1cccc(O)c1)NC(=O)CCNC(N)=N |THB:0:1:17:13.14.15,4:3:17:13.14.15|
[H][C@]12CCC[C@](CCN1CCc1ccc(cc1)[N+]([O-])=O)([C@@H]2O)c1cccc(O)c1
[H][C@@]12CCC[C@@](CCN1CC=Cc1ccccc1)([C@H]2O)c1cccc(O)c1
[H][C@]12CCC[C@](CCN1CCc1ccc(cc1)C(F)(F)F)([C@@H]2O)c1cccc(O)c1
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)C2CCN(CC2)C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r,wU:1.1,34.36,13.13,wD:22.48,(31.33,-29.37,;31.36,-27.84,;30.06,-27.03,;28.71,-27.77,;28.67,-29.31,;27.33,-30.05,;26,-29.25,;24.66,-29.99,;26.04,-27.71,;27.38,-26.97,;32.71,-27.09,;32.75,-25.56,;34.11,-27.94,;35.54,-27.15,;36.86,-27.94,;38.21,-27.22,;39.51,-28.01,;40.86,-27.27,;40.9,-25.73,;42.25,-24.98,;43.52,-25.82,;42.25,-20.87,;43.65,-20.12,;43.7,-18.53,;41.31,-17.46,;41.22,-15.87,;39.93,-18.27,;40.72,-19.65,;39.93,-21.02,;38.34,-21.02,;37.54,-19.65,;38.34,-18.27,;38.3,-22.61,;39.66,-23.44,;36.96,-23.34,;35.61,-22.6,;34.89,-21.23,;35.71,-19.94,;35,-18.57,;33.46,-18.52,;32.64,-19.83,;33.36,-21.18,;36.93,-24.88,;35.57,-25.61,;34.26,-24.82,;45.01,-20.96,;46.41,-20.21,;44.96,-22.55,)|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H]2CCCN(C2)C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
C[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=N)C(=O)NCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(N)=O |r|
C[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(N)=O |r|
NC(=N)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
C[C@H](NC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc2ccccc2[nH]1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](Cc1nc2ccccc2[nH]1)C(O)=O
C[C@H](NC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](CC(O)=O)C(N)=O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](CC(N)=O)C(O)=O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCc1nc2ccccc2[nH]1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCc1nc2ccccc2n1C(O)=O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1c1nc2ccccc2[nH]1
CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@@H]1Cc2ccc(O)cc2CN1
CCC[C@]12[C@H](C)C(=O)C=C[C@@]1(OCCCc1ccccc1)C(Cc1ccc(OC)c(OC)c21)NC |c:8|
CCC[C@]12c3c4O[C@@]1(C)C(=O)C=C[C@@]2(OCCCc1ccccc1)C(Cc3ccc4O)NC |c:12|
CCC[C@]12c3c4O[C@@]1(C)C(=O)C=C[C@@]2(OCCCc1ccccc1)C(Cc3ccc4OC)NC |c:12|
CCC[C@H](C)C1C[C@]23C=C[C@]1(OC)[C@@H]1Oc4cccc5C[C@H]2N(C)CC[C@@]31c45 |wU:21.23,wD:13.14,26.30,7.7,10.11,3.3,c:8,(-6.72,-4.49,;-6.72,-3.27,;-7.83,-2.27,;-7.83,-.96,;-9.4,-.96,;-6.2,-.93,;-5.43,-2.25,;-3.89,-2.25,;-4.15,-.92,;-5.15,-.92,;-5.48,.41,;-6.13,1.56,;-7.77,1.56,;-3.91,.41,;-2.42,1.4,;-.81,.42,;.75,.42,;1.52,-.93,;.75,-2.25,;-.81,-2.25,;-1.6,-3.58,;-3.15,-3.58,;-3.75,-4.85,;-3.75,-6.7,;-2.31,-4.85,;-2.31,-2.04,;-3.17,-.92,;-1.6,-.92,)|
CCC[C@]12c3c4O[C@@]1(C)C(=O)C=C[C@@]2(OCCCc1ccccc1)C(Cc3ccc4OCC#C)NC |c:12|
CCC[C@]12c3c4O[C@@]1(C)C(=O)CC[C@@]2(OC)C(Cc3ccc4OC)NC
C[C@@H]([C@H](N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(O)=O)C(C)(C)S)C(C)(C)S)c1c(C)cc(O)cc1C
C[C@H]([C@H](N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(O)=O)C(C)(C)S)C(C)(C)S)c1c(C)cc(O)cc1C
C[C@@H]([C@@H](N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(O)=O)C(C)(C)S)C(C)(C)S)c1c(C)cc(O)cc1C
C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)c2ccc(Cl)cc2)[C@@H](C)CN1CC=C
C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)c2ccccc2)[C@@H](C)CN1CC=C
C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N2CCCc3ccccc23)[C@@H](C)CN1CC=C
CCN(CC)C(=O)c1cccc(c1)[C@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1
C[C@@H]1CN([C@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)c2ccccc2)[C@@H](C)CN1CC=C
COc1ccc(cc1)N(C)C(=O)c1cccc(c1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1
C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)c2ccc(cc2)[N+]([O-])=O)[C@@H](C)CN1CC=C
CCCN(C(=O)c1cccc(c1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1)c1ccc(F)cc1
CCN(C(=O)c1cccc(c1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1)c1ccccc1
C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)c2ccc(F)cc2)[C@@H](C)CN1CC=C
C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)c2ccccc2C(F)(F)F)[C@@H](C)CN1CC=C
C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C2CC2)c2ccccc2)[C@@H](C)CN1CC=C
CCCN(C(=O)c1cccc(c1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1)c1ccccc1
CCCCN(C(=O)c1cccc(c1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1)c1ccccc1
C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)Cc2ccccc2)[C@@H](C)CN1CC=C
C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)c2ccccc2F)[C@@H](C)CN1CC=C
CCN(C(=O)c1cccc(c1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1)c1ccc(F)cc1
C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)CCc2ccccc2)[C@@H](C)CN1CC=C
c1cc(cc(c1)Cl)CCNCCc2ccc3ccc(nc3c2)N
Oc1ccc2CC3N(CCc4ccccc4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OCCCc1ccccc1 |TLB:21:22:27:7.17.16,3:4:27:7.17.16|
Oc1ccc2CC3N(CC4CCCO4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OCCCc1ccccc1 |TLB:3:4:25:7.15.14,19:20:25:7.15.14|
Oc1ccc2CC3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OCCCc1ccccc1 |TLB:16:17:22:7.12.11,3:4:22:7.12.11|
COc1ccc2CC3N(CC4CCCO4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OCCCc1ccccc1 |TLB:4:5:26:8.16.15,20:21:26:8.16.15|
COc1ccc2CC3N(CCc4ccccc4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OCCCc1ccccc1 |TLB:22:23:28:8.18.17,4:5:28:8.18.17|
Oc1ccc2CC3N(CC4CCC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OCCCc1ccccc1 |TLB:3:4:24:7.14.13,18:19:24:7.14.13|
CCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)OCCCc1ccccc1)ccc5O |TLB:9:10:14:3.5.4,29:11:14:3.5.4|
CO[C@]12CCC(=O)[C@]3(C)Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |THB:10:11:2:15.18.17,20:12:2:15.18.17|
CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)CCc1ccccc1
COc1ccc2CC3[C@@H]4Cc5cc(cnc5[C@@H]5Oc1c2[C@]45CCN3CC1CC1)-c1ccc(Cl)cc1 |THB:4:5:8:23.21.22|
COc1ccc2CC3N(C)CC[C@@]45[C@@H](Oc1c24)c1ncccc1C[C@@]35O |TLB:4:5:24:8.11.10|
Oc1ccc2CC3N(CC=C)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)-c1ccc(Cl)cc1 |TLB:3:4:25:7.12.11|
COc1ccc2CC3N(C)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)-c1ccc(Cl)cc1 |TLB:4:5:24:8.11.10|
COc1ccc2CC3N(C)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)-c1ccc(Br)cc1 |TLB:4:5:24:8.11.10|
CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1cc(cnc41)-c1ccc(Br)cc1)ccc5O |TLB:28:9:12:1.3.2|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1ncc(cc1C[C@@]35O)-c1ccccc1
COc1ccc2CC3N(C)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)-c1ccccc1 |TLB:4:5:24:8.11.10|
C[C@H](N[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
C[C@H](N[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
C[C@H](N[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)cc1
COc1ccc2CC3N(C)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1OC |TLB:21:20:18:8.11.10,4:5:18:8.11.10|
COc1ccc2CC3N(C)CC[C@@]4(C=C(CC[C@@]34OC)C#N)c2c1O |c:13,TLB:4:5:17:8.11.10,23:22:17:8.11.10|
COc1ccc2CC3N(C)CC[C@@]4(CC(=O)CC[C@@]34OC)c2c1O |TLB:22:21:18:8.11.10,4:5:18:8.11.10|
COc1ccc2CC3N(C)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1O |TLB:21:20:18:8.11.10,4:5:18:8.11.10|
COc1ccc2CC3N(C)CC[C@@]4(C=C(CC[C@@]34O)C#N)c2c1OC |c:13,TLB:4:5:17:8.11.10,22:21:17:8.11.10|
CN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1C5)O)OC
COc1ccc2CC3N(C)CC[C@@]4(C=C(CC[C@@]34O)C#N)c2c1O |c:13,TLB:4:5:17:8.11.10,22:21:17:8.11.10|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccc(OC)cc1)C2=O)ccc3O |r,TLB:32:5:9.14.15:17,THB:3:4:9.14.15:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccc(F)cc1)C2=O)ccc3O |r,TLB:31:5:9.14.15:17,THB:3:4:9.14.15:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccc(cc1)N(C)C)C2=O)ccc3O |r,TLB:10:9:17:6.4.5|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccc(Cl)cc1)C2=O)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccc(Br)cc1)C2=O)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1F)C2=O)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccc(cc1)C#N)C2=O)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccc(cc1)C(F)(F)F)C2=O)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1)C2=O)ccc3OC |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccc(I)cc1)C2=O)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)C\C(=C/c1cccc(F)c1)C2=O)ccc3O |r,THB:10:9:17:4.5.6|
CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)OCc1cccc2ccccc12)ccc5O |TLB:29:9:12:1.3.2,7:8:12:1.3.2|
CCO[C@]12CCC(=O)[C@]3(C)Oc4c5c(CC1N(CCc1ccccc1)CC[C@@]235)ccc4O |THB:11:12:3:16.26.25,28:13:3:16.26.25|
CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)OCc1ccccc1)ccc5O |TLB:25:9:12:1.3.2,7:8:12:1.3.2|
CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)OCC=C)ccc5O |TLB:7:8:12:1.3.2,21:9:12:1.3.2|
CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)OCc1c(Cl)cccc1Cl)ccc5O |TLB:7:8:12:1.3.2,27:9:12:1.3.2|
CN1CC[C@]23c4c5O[C@@]2(C)C(=O)CC[C@@]3(OCc2ccccc2)C1Cc4ccc5O |TLB:26:25:14:1.3.2,6:5:14:1.3.2|
Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2ccccc2CC1C(=O)NC(CCCCNC(=O)OCc1ccccc1)c1nc2ccccc2[nH]1
Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2ccccc2CC1C(=O)NC(CCCCN)c1nc2ccccc2[nH]1
CC(=O)NCCCCC(NC(=O)C1Cc2ccccc2CN1C(=O)C(N)Cc1c(C)cc(O)cc1C)c1nc2ccccc2[nH]1
Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2ccccc2CC1C(=O)NCC(O)=O
Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](CCCCNC(=O)OCc1ccccc1)c1nc2ccccc2[nH]1
OC(=O)CN1CCN(CCn2c3[C@H]4Oc5c6c(C[C@H]7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c3ccccc23)ccc5O)CCN(CC(O)=O)CCN(CC(O)=O)CC1
OC(=O)CN1CCN(CCCCCn2c3[C@H]4Oc5c6c(C[C@H]7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c3ccccc23)ccc5O)CCN(CC(O)=O)CCN(CC(O)=O)CC1
CC(C)N1CCC(CC1)C(CN1CCN(CCCc2ccccc2-c2ccc(F)cc2)CC1)c1ccc(F)cc1 |w:9.10|
CC(C)N1CCC(CC1)C(CN1CCN(CCCc2ccccc2-c2ccccc2)CC1)c1ccc(F)cc1 |w:9.10|
CC(C)N1CCC(CC1)C(CN1CCN(CCCc2ccccc2-c2cccc(F)c2)CC1)c1ccc(F)cc1 |w:9.10|
CC(C)N1CCC(CC1)C(CN1CCN(CCCc2cccc(F)c2-c2ccccc2)CC1)c1ccc(F)cc1 |w:9.10|
CC(C)N1CCC(CC1)C(CN1CCN(CCCc2c(F)cccc2-c2ccccc2)CC1)c1ccc(F)cc1 |w:9.10|
COc1ccc2ccccc2c1CCCCN1CCN(CC(C2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1 |w:21.22|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)C(N)=O
CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
COc1ccc2C[C@H]3N(C)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c2c1OC
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c2c1OC
COc1c(O)ccc2C[C@H]3N(CC4CC4)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c12
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1Cc2ccccc2CN(CC(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@]11Cc2ccccc2CN(CC(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@]11Cc2ccccc2CN(CC(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O
COC(=O)[C@@H]1C[C@H](OC2CCCCO2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |w:8.7|
COC(=O)[C@@H]1C[C@H](OC(C)(C)OC)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
CCOC(C)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |r|
CCOC(C)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |w:3.3|
COC(=O)[C@@H]1C[C@H](OCF)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
COC(=O)[C@@H]1C[C@H](OCSC)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
COC(=O)[C@@H]1C[C@H](OCOCc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
COC(=O)[C@@H]1C[C@H](OCOCC[Si](C)(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
COCCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
COC(=O)[C@@H]1C[C@H](OCOCC(F)(F)F)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
COC(=O)[C@@H]1C[C@H](OCOCCF)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
COC(=O)[C@@H]1C[C@H](OCOC(C)(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
COC(=O)[C@@H]1C[C@H](OCOC(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
CCCCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
CCCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
CCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
C[C@@]12CC[C@H]3C(=O)O[C@@H](C[C@@]3([C@H]1C(=O)[C@H](C[C@H]2C(=O)OC)OCOC)C)c4ccoc4
CCCCCCC\C=C/[C@H](O)C#CC#C[C@H](O)C=C |r|
[#6]\[#6](-[#6])=[#6]\[#6](-[#8])-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2ccoc2cc2oc(=O)ccc12 |w:4.4|
[#6]\[#6](-[#6])=[#6]\[#6](-[#8])-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc2ccc(=O)oc2c1 |w:4.4|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1cc2ccccc2[nH]1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC1Cc2ccccc2C1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ncc[nH]1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc(c[nH]1)-c1ccccc1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2s1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2o1
Cc1cc(O)cc(O)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(O)=O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCCC[C@H](NC(=O)c1ccc(F)cc1)C(O)=O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)c1ccc(F)cc1)C(O)=O
Oc1ccc2C[C@@H]3N(CC4CC4)CC[C@]45C[C@H](CC[C@]34O)COc1c25 |r,TLB:8:7:4.24.5:19|
Oc1ccc2C[C@@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)OCN(CCc2ccccc2)C1=O |r,THB:21:22:4.18.5:7.12.13,23:22:4.18.5:7.12.13|
Oc1ccc2C[C@@H]3N(CC4CC4)CC[C@@]4(C[C@@]5(CNC(=O)c6ccccc6)CC[C@@]34O5)c2c1 |r,TLB:8:7:29:5.31.4|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1cn(C)nn1 |r|
CCn1cc(nn1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1 |r|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1cn(Cc2ccccc2)nn1 |r|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1cn(COC(=O)C(C)(C)C)nn1 |r|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1cnn[nH]1 |r|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1C(=O)O[C@@H](C[C@]21C)c1cnn[nH]1 |r|
Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2)C(N)=O)c(Cl)c1
Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2)C(N)=O)c(F)c1
Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)c(F)c1
Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)cc1
COc1ccc(cc1)C1CCCN1Cc1ccc(Oc2ccc(C(N)=O)c3ccccc23)cc1
Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)c(Cl)c1
Cc1cccc(c1)C1CCCN1Cc1ccc(Oc2ccc(C(N)=O)c3ccccc23)cc1
[H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@@H](O)c1ccccc1)[C@H]2C |r,THB:8:9:24:14.12.13,15:14:24:9.3.2|
[H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CC(C)(O)c1ccccc1)[C@H]2C |r,THB:15:14:25:9.3.2,8:9:25:14.12.13|
[H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CC(OC)c1ccccc1)[C@H]2C |r,THB:15:14:25:9.3.2,8:9:25:14.12.13|
[H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CC1COc3ccccc3C1)[C@H]2C |r,THB:8:9:26:14.12.13,15:14:26:9.3.2|
[H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@H](O)c1ccccc1)[C@H]2C |r,THB:8:9:24:14.12.13,15:14:24:9.3.2|
[#6]-[#6]-[#6](=O)-[#7](-[#6]-c1cccc(-[#6]\[#7]=[#6](\[#7])-[#7])c1)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-c2ccccc2)-[#6]-[#6]-1
[#6]-[#6]-[#6](=O)-[#6](=[#6]-c1cccc(-[#6]\[#7]=[#6](\[#7])-[#7])c1)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-c2ccccc2)-[#6]-[#6]-1 |w:5.5|
CCC(=O)N(Cc1cccc(C)c1)C1CCN(CCc2ccccc2)CC1
CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c2ccccc12 |r,wU:27.28,wD:29.33,(8.76,1.15,;7.67,.06,;6.19,.46,;7.28,1.55,;8.07,-1.42,;6.98,-2.51,;6.59,-4,;8.07,-3.6,;5.5,-2.11,;5.1,-.63,;3.61,-.23,;2.52,-1.32,;1.03,-.92,;.56,.55,;-.98,.55,;-1.46,-.92,;-.21,-1.82,;-.21,-3.36,;-1.55,-4.13,;-2.88,-3.36,;-4.21,-4.13,;-4.21,-5.67,;-2.88,-6.44,;-1.55,-5.67,;-2.07,1.64,;-1.67,3.12,;-3.56,1.24,;-4.65,2.33,;-6.19,2.33,;-6.19,3.87,;-4.65,3.87,;-7.28,4.96,;-6.88,6.44,;-8.76,4.56,;2.92,-2.8,;1.83,-3.89,;2.23,-5.38,;3.72,-5.78,;4.81,-4.69,;4.41,-3.2,)|
COC1CCC2C(CCN=C2Cc2cccc(O)c2)C1 |c:9|
COC1=CCC2=C(CCNC2Cc2ccccc2O)C1 |t:2,5|
COc1cccc2C[C@@H]3[C@@H]4CCC(=O)C[C@]4(CCN3CC=C)c12 |r|
CCO[C@@]12CCC(=O)C[C@@]11CCN(C)[C@@H]2Cc2cccc(O)c12 |r|
COc1cccc2C[C@H]3N(CC=C)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |r|
Oc1ccc(O)c2c1C[C@@H]1[C@@H]3CCC(=O)C[C@]23CCN1C=O |r|
CCO[C@]12CCC(=O)[C@]3(C)Oc4c5c(C[C@H]1N(C)CC[C@@]235)ccc4O |r|
O=CN1CC[C@]23[C@H]4Oc5cccc(C[C@@H]1[C@@H]2CCC4=O)c35 |r|
C[C@H]1CN(CCC(=O)NC2CCCCC2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
C[C@H]1CN(CCC(=O)N(C)c2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
CCN(C(=O)CCN1C[C@H](C)[C@@]2(C)C[C@H]1Cc1ccc(O)cc21)c1ccccc1 |r|
C[C@H]1CN(CCC(=O)NCc2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
C[C@H]1CN(CCC(=O)NCC2CCCCC2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
C[C@H]1CN(CCC(=O)NC(C)(C)C)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
C[C@H]1CN(CC(=O)Nc2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
C[C@H]1CN(CC(=O)NC2CCCCC2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
C[C@H]1CN(CC(=O)N(C)c2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
CCN(C(=O)CN1C[C@H](C)[C@@]2(C)C[C@H]1Cc1ccc(O)cc21)c1ccccc1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@]1(O)CC[C@@]35N=C1 |r,c:30|
CN1C[C@]2(O)CC[C@]11[C@H]3Cc4ccc(O)c5O[C@@H]2[C@]1(CCN3CC1CC1)c45 |r,TLB:0:1:6.5:18.17|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@]1(O)CC[C@@]35N(C1)C(=O)c1ccccc1 |r,THB:26:24:22.21:14.15|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@]1(O)CC[C@@]35N(C1)C(=O)C1CC1 |r,THB:26:24:22.21:14.15|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@]1(O)CC[C@@]35N(CC2CC2)C1 |r,THB:25:24:22.21:14.15|
CN[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@]1(O)CC[C@@]35OC1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@]1(O)CC[C@@]35NC1 |r|
CCCCN(CCCC)CCOC\C=C\c1ccccc1
CCCCN(CCCC)CCOCCCc1ccccc1
CN(CCOC\C=C\c1ccccc1)Cc1ccccc1
CN(CCOCCCc1ccccc1)Cc1ccccc1
CN(CCOC\C=C\c1ccccc1)CCc1ccccc1
CN(CCOCCCc1ccccc1)CCc1ccccc1
CN(CCCc1ccccc1)CCOC\C=C\c1ccccc1
CN(CCCc1ccccc1)CCOCCCc1ccccc1
CN([C@@H]1CC[C@H]2CN(CC3CC3)CC[C@@H]2C1)C(=O)\C=C\c1ccoc1 |r|
O[C@@]12CCC(=O)C[C@@]11CCN(CC3CC3)[C@@H]2CC2=C1CCCC2 |r,c:20,THB:11:10:1:17.18.16|
CN[C@@H]1CC[C@@]2(O)[C@H]3CC4=C(CCCC4)[C@@]2(CCN3CC2CC2)C1 |r,t:9,THB:19:18:5:9.10.8|
CN([C@@H]1CC[C@@]2(O)[C@H]3CC4=C(CCCC4)[C@@]2(CCN3CC2CC2)C1)C(=O)\C=C\c1ccoc1 |r,t:9|
CN([C@@H]1CC[C@H]2[C@H]3CC4=C(CCCC4)[C@@]2(CCN3CC2CC2)C1)C(=O)\C=C\c1ccoc1 |r,t:8|
CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C1)C(=O)\C=C\c1ccoc1 |r|
CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4cccc5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1 |r,TLB:4:5:9.24.8:17.19.18,THB:6:5:9.24.8:17.19.18|
CN([C@@H]1CC[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1 |r,TLB:4:5:8.24.7:17.19.18|
C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N(C)[C@@H](Cc1ccccc1C=C)C(=O)NCC(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(C=C)cc1)C(=O)NCC(N)=O |r|
C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1-c1ccsc1)C(=O)NCC(N)=O |r|
C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cccc(C=C)c1)C(=O)NCC(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)NCC(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)F)C(=O)NCC(N)=O |r|
[#6]\[#6](-[#6])=[#6]\c1ccccc1-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1c(-[#6])cc(-[#8])cc1-[#6])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NCC(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1-c1ccccc1)C(=O)NCC(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1C=C)C(=O)NCC(N)=O |r|
COc1ccc(C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)NCC(N)=O)cc1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)NCC(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccsc1)C(=O)NCC(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1-c1ccsc1)C(=O)NCC(N)=O |r|
C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1-c1ccccc1)C(=O)NCC(N)=O |r|
C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1C=C)C(=O)NCC(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cccc(c1)-c1ccccc1)C(=O)NCC(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cccc(c1)-c1ccsc1)C(=O)NCC(N)=O |r|
CN1CC[C@]23Cc4nc5cccc(Cl)c5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:18:28.22.21|
CN1CC[C@]23Cc4nc5ccc(Cl)cc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:18:28.22.21|
CN1CC[C@]23Cc4nc5cc(Cl)ccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:18:28.22.21|
CN1CC[C@]23Cc4nc5c(Cl)cccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:18:28.22.21|
CN1CC[C@]23Cc4nc5cccc(F)c5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:18:28.22.21|
CN1CC[C@]23Cc4nc5ccc(F)cc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:18:28.22.21|
CN1CC[C@]23Cc4nc5cc(F)ccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:18:28.22.21|
CN1CC[C@]23Cc4nc5c(F)cccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:18:28.22.21|
CN1CC[C@]23Cc4nc5cccc(C)c5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:18:28.22.21|
CN1CC[C@]23Cc4nc5ccc(C)cc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:18:28.22.21|
CN1CC[C@]23Cc4nc5cc(C)ccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:18:28.22.21|
CN1CC[C@]23Cc4nc5c(C)cccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:18:28.22.21|
CN1CC[C@]23Cc4nc5cccc(O)c5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:18:28.22.21|
CN1CC[C@]23Cc4nc5ccc(O)cc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:18:28.22.21|
CN1CC[C@]23Cc4nc5cc(O)ccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:18:28.22.21|
CN1CC[C@]23Cc4nc5c(O)cccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:18:28.22.21|
COc1cccc2nc3C[C@]45CCN(C)[C@H](Cc6ccc(O)cc46)[C@]5(O)Cc3cc12 |r,TLB:14:13:24:23.17.16|
COc1ccc2nc3C[C@]45CCN(C)[C@H](Cc6ccc(O)cc46)[C@]5(O)Cc3cc2c1 |r,TLB:13:12:23:22.16.15|
COc1ccc2cc3C[C@@]4(O)[C@H]5Cc6ccc(O)cc6[C@@]4(CCN5C)Cc3nc2c1 |r,THB:24:23:9:19.13.12|
COc1cccc2cc3C[C@@]4(O)[C@H]5Cc6ccc(O)cc6[C@@]4(CCN5C)Cc3nc12 |r,THB:25:24:10:20.14.13|
CN1CC[C@]23Cc4nc5cccc(c5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31)C(F)(F)F |r,THB:0:1:17:27.21.20|
CN1CC[C@]23Cc4nc5ccc(cc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31)C(F)(F)F |r,THB:0:1:17:27.21.20|
CN1CC[C@]23Cc4nc5cc(ccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31)C(F)(F)F |r,THB:0:1:17:27.21.20|
CN1CC[C@]23Cc4nc5c(cccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31)C(F)(F)F |r,THB:0:1:17:27.21.20|
CN1CC[C@]23Cc4nc5cccc([N+]([O-])=O)c5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:20:30.24.23|
CN1CC[C@]23Cc4nc5ccc(cc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31)[N+]([O-])=O |r,THB:0:1:17:27.21.20|
CN1CC[C@]23Cc4nc5cc(ccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31)[N+]([O-])=O |r,THB:0:1:17:27.21.20|
CN1CC[C@]23Cc4nc5c(cccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31)[N+]([O-])=O |r,THB:0:1:17:27.21.20|
CN(C)c1cccc2nc3C[C@]45CCN(C)[C@H](Cc6ccc(O)cc46)[C@]5(O)Cc3cc12 |r,TLB:15:14:25:24.18.17|
CN(C)c1ccc2nc3C[C@]45CCN(C)[C@H](Cc6ccc(O)cc46)[C@]5(O)Cc3cc2c1 |r,TLB:14:13:24:23.17.16|
CN(C)c1ccc2cc3C[C@@]4(O)[C@H]5Cc6ccc(O)cc6[C@@]4(CCN5C)Cc3nc2c1 |r,THB:25:24:10:20.14.13|
CN(C)c1cccc2cc3C[C@@]4(O)[C@H]5Cc6ccc(O)cc6[C@@]4(CCN5C)Cc3nc12 |r,THB:26:25:11:21.15.14|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCSSCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCSSCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O |r,wU:1.1,13.13,57.61,wD:18.19,22.24,39.41,(4.38,-11.48,;5.71,-12.25,;7.04,-11.48,;7.04,-9.94,;5.71,-9.17,;5.71,-7.63,;7.04,-6.86,;7.04,-5.32,;8.38,-7.63,;8.38,-9.17,;5.71,-13.79,;4.38,-14.56,;7.04,-14.56,;7.04,-16.11,;5.71,-16.88,;5.71,-18.42,;8.38,-21.5,;8.38,-23.04,;9.72,-23.81,;9.72,-25.35,;8.38,-26.12,;7.04,-25.35,;8.38,-27.66,;7.04,-28.44,;9.72,-28.44,;9.72,-29.98,;11.05,-30.75,;11.05,-32.29,;9.72,-33.06,;9.72,-34.6,;8.38,-32.29,;8.38,-30.75,;11.05,-23.04,;11.05,-21.5,;12.38,-23.81,;13.72,-23.04,;15.05,-23.81,;15.05,-25.35,;16.38,-23.04,;16.38,-21.5,;17.72,-20.73,;19.06,-21.5,;20.39,-20.73,;21.72,-21.5,;21.72,-23.04,;20.39,-23.81,;19.06,-23.04,;15.05,-20.73,;13.72,-21.5,;15.05,-19.19,;13.72,-18.42,;13.72,-16.88,;15.05,-16.11,;16.38,-16.88,;16.38,-18.42,;15.05,-14.56,;16.38,-13.79,;13.72,-13.79,;13.72,-12.25,;15.05,-11.48,;16.38,-12.25,;17.72,-11.48,;17.72,-9.94,;16.38,-9.17,;15.05,-9.94,;12.38,-14.56,;11.05,-13.79,;11.05,-12.25,;9.71,-14.56,;9.71,-16.11,;8.38,-16.88,;8.38,-18.42,)|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O |r,wU:10.10,15.15,61.65,wD:20.21,24.26,43.45,(24.8,-11.26,;26.16,-10.47,;26.16,-8.93,;27.49,-8.16,;27.49,-6.62,;28.83,-8.93,;28.83,-10.47,;30.19,-11.26,;27.49,-11.24,;27.49,-12.78,;26.16,-13.55,;24.82,-12.78,;26.16,-15.09,;24.83,-15.86,;27.49,-15.86,;27.49,-17.41,;26.16,-18.18,;26.16,-19.72,;28.83,-22.8,;28.83,-24.34,;30.16,-25.11,;30.16,-26.65,;28.82,-27.42,;27.49,-26.65,;28.82,-28.96,;27.49,-29.74,;30.16,-29.74,;30.16,-31.28,;28.82,-32.05,;27.46,-31.26,;28.82,-33.59,;30.16,-34.36,;30.16,-35.9,;31.5,-33.59,;31.5,-32.05,;32.86,-31.26,;31.49,-24.34,;31.49,-22.8,;32.83,-25.11,;34.17,-24.34,;35.5,-25.11,;35.5,-26.65,;36.83,-24.34,;36.83,-22.8,;38.17,-22.03,;39.5,-22.8,;40.83,-22.03,;42.17,-22.8,;42.17,-24.34,;40.83,-25.11,;39.5,-24.34,;35.5,-22.03,;34.17,-22.8,;35.5,-20.49,;34.17,-19.72,;34.17,-18.18,;35.5,-17.41,;36.83,-18.18,;36.83,-19.72,;35.5,-15.86,;36.83,-15.09,;34.17,-15.09,;34.17,-13.55,;35.5,-12.78,;36.83,-13.55,;38.17,-12.78,;38.17,-11.24,;36.83,-10.47,;35.5,-11.24,;32.83,-15.86,;31.49,-15.09,;31.49,-13.55,;30.16,-15.86,;30.16,-17.41,;28.83,-18.18,;28.83,-19.72,)|
CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:66.72,47.50,8.8,wD:62.67,12.13,29.30,(46.1,-18.88,;47.68,-18.88,;46.89,-17.52,;47.68,-20.42,;50.35,-23.5,;50.34,-25.04,;49.55,-26.39,;48.77,-25.03,;51.68,-25.81,;51.68,-27.35,;50.34,-28.12,;49.01,-27.35,;50.34,-29.66,;49.01,-30.44,;51.68,-30.44,;51.68,-31.98,;53.02,-32.75,;53.02,-34.29,;51.68,-35.06,;51.68,-36.6,;50.34,-34.29,;50.34,-32.75,;53.01,-25.04,;53.01,-23.5,;54.35,-25.81,;55.69,-25.04,;57.02,-25.81,;57.02,-27.35,;58.35,-25.04,;58.35,-23.5,;59.69,-22.73,;61.02,-23.5,;62.35,-22.73,;63.69,-23.5,;63.69,-25.04,;62.35,-25.81,;61.02,-25.04,;57.02,-22.73,;55.69,-23.5,;57.02,-21.19,;55.69,-20.42,;55.69,-18.88,;57.02,-18.11,;58.35,-18.88,;58.35,-20.42,;57.02,-16.56,;58.35,-15.79,;55.69,-15.79,;55.69,-14.25,;57.02,-13.48,;58.35,-14.25,;59.69,-13.48,;59.69,-11.94,;58.35,-11.17,;57.02,-11.94,;54.35,-16.56,;53.01,-15.79,;53.01,-14.25,;51.68,-16.56,;51.68,-18.11,;50.35,-18.88,;50.35,-20.42,;49.01,-18.11,;49.01,-16.56,;47.68,-15.79,;46.35,-16.56,;47.68,-14.25,;46.34,-13.48,;49.01,-13.48,;49.01,-11.94,;47.68,-11.17,;47.68,-9.63,;49.01,-8.86,;49.01,-7.32,;50.35,-9.63,;50.35,-11.17,)|
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@@H]4NC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)Nc1cccc2c3C[C@@]4(O)[C@H]6Cc7ccc(OCCc8ccccc8)c8O[C@@H](c3[nH]c12)[C@]4(CCN6CC1CC1)c78)ccc5O |r|
Nc1cccc2c3C[C@@]4(O)[C@H]5Cc6ccc(OCCc7ccccc7)c7O[C@@H](c3[nH]c12)[C@]4(CCN5CC1CC1)c67 |r|
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1c(-[#6])cc(-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6@@H]-2-[#6]-[#6][C@@]3([#8])[#6@H]-4-[#6]-c5ccc(-[#8])c6-[#8]-[#6@@H]-2[C@]3([#6]-[#6]-[#7]-4-[#6]-[#6]-2-[#6]-[#6]-2)c56)cc1-[#6] |r|
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1c(-[#6])cc(-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6])cc1-[#6]
CNC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
CC(C)N(Cc1nc(c[nH]1)-c1ccccc1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
C[C@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc(c[nH]1)-c1ccccc1 |r|
CN(Cc1nc(c[nH]1)-c1ccccc1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)c1nc(c[nH]1)-c1ccccc1 |r|
C[C@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc(c[nH]1)-c1ccccc1 |r|
CC(C)[C@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc(c[nH]1)-c1ccccc1 |r|
C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1nc(c[nH]1)-c1ccccc1 |r|
COc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccc(I)c1 |r|
Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)C1C2CC3CC(C2)CC1C3 |r,wU:21.26,6.6,18.27,wD:13.19,14.14,TLB:35:34:28.29.30:32,THB:35:29:32:26.34.33,24:26:28.29.30:32,30:29:26:31.32.33,30:31:26:28.29.35,(8.77,-11.54,;9.57,-10.18,;8.79,-8.87,;9.57,-7.54,;11.11,-7.54,;11.85,-6.2,;13.35,-6.2,;13.39,-4.66,;14.17,-3.31,;15.71,-3.29,;16.46,-1.95,;12.6,-5.64,;12.6,-7.54,;13.39,-8.87,;14.14,-10.18,;12.56,-11.1,;11.11,-10.18,;11.85,-8.87,;15.68,-10.19,;16.47,-8.87,;15.71,-7.54,;14.17,-7.54,;14.93,-6.18,;16.43,-11.54,;17.97,-11.56,;18.76,-10.24,;18.72,-12.92,;20.15,-12.88,;18.77,-13.73,;18.3,-15.24,;19.46,-16.21,;20.81,-15.31,;21.3,-13.86,;19.38,-15.21,;18.27,-14.34,;16.73,-15.18,)|
Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)C1CCCCC1 |r|
CCCCCCCCCCCCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 |r|
CCCCCCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 |r|
CC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 |r|
Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc2ccccc2c1 |r|
Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(OC(F)(F)F)cc1 |r|
Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccc(c1)[N+]([O-])=O |r|
Oc1cccc(c1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 |r|
CN(C)c1cccc(c1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 |r|
Nc1cccc(c1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 |r|
COc1cccc(c1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 |r|
Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccc(c1)C(F)(F)F |r|
Cc1cccc(c1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 |r|
Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccccc1 |r|
Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccc(Br)c1 |r|
Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccc(Cl)c1 |r|
Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccc(F)c1 |r|
Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(I)cc1 |r|
Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccccc1I |r|
Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cccc(I)c1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CC=CC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,c:16|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1C=CC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,c:15|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1C=CC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,c:15|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC=CC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,c:16|
CCCC[C@H](N1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@H]1Cc2ccccc2CN([C@@H](CCCCN)C(N)=O)C1=O |r|
[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2c(-[#6])cc(-[#8])cc2-[#6])-[#6]-1=O)-[#6](-[#7])=O |r|
CCCC[C@H](N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O |r|
CN([C@@H](CCCCN)C(N)=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1c(-[#6])cc(-[#8])cc1-[#6])-[#6](-[#7])=O |r|
[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O)-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1c(-[#6])cc(-[#8])cc1-[#6] |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1c(-[#6])cc(-[#8])cc1-[#6])-[#6](-[#7])=O |r|
[#6]-c1cc(-[#8])cc(-[#6])c1-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H]-1-[#6]-c2ccccc2-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O)-[#6]-1=O |r|
N[C@@H](Cc1ccc(cc1)C(=O)NCCc1c[nH]c2ccccc12)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
N[C@@H](Cc1ccc(cc1)C(=O)NCCc1ccc2ccccc2c1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
N[C@@H](Cc1ccc(cc1)C(=O)NCCc1cccc2ccccc12)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
N[C@@H](Cc1ccc(cc1)C(=O)NCCc1ccc(cc1)C1CCCCC1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
CCCCCCCCCCNC(=O)c1ccc(C[C@H](N)C(=O)N2Cc3ccccc3CC2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(O)=O)cc1 |r|
CCCCCCNC(=O)c1ccc(C[C@H](N)C(=O)N2Cc3ccccc3CC2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(O)=O)cc1 |r|
N[C@@H](Cc1ccc(cc1)C(N)=O)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccccc4[C@@]2(CCN3CC2CC2)C1)C(=O)\C=C\c1ccoc1 |r|
CN([C@H]1CC[C@@]2(O)[C@H]3Cc4ccccc4[C@@]2(CCN3CC2CC2)C1)C(=O)\C=C\c1ccoc1 |r|
CN([C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C1)C(=O)\C=C\c1ccoc1 |r|
CN([C@H]1CC[C@@]2(O)[C@H]3Cc4cccc5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1 |r|
CN([C@H]1CC[C@H]2[C@H]3CC4=C(CCCC4)[C@@]2(CCN3CC2CC2)C1)C(=O)\C=C\c1ccoc1 |r,t:8|
CN([C@H]1CC[C@@]2(O)[C@H]3CC4=C(CCCC4)[C@@]2(CCN3CC2CC2)C1)C(=O)\C=C\c1ccoc1 |r,t:9|
CN([C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19|
CN([C@@H]1CC[C@@]2(O)[C@H]3CC4=C(CC(=O)CC4)[C@@]2(CCN3CC2CC2)C1)C(=O)\C=C\c1ccoc1 |r,t:9|
CN([C@H]1CC[C@@]2(O)[C@H]3CC4=C(CC(=O)CC4)[C@@]2(CCN3CC2CC2)C1)C(=O)\C=C\c1ccoc1 |r,t:9|
CN([C@@H]1CC[C@@]2(O)[C@H]3CC4=C(C[C@@H](O)CC4)[C@@]2(CCN3CC2CC2)C1)C(=O)\C=C\c1ccoc1 |r,t:9|
CN([C@H]1CC[C@@]2(O)[C@H]3CC4=C(C[C@@H](O)CC4)[C@@]2(CCN3CC2CC2)C1)C(=O)\C=C\c1ccoc1 |r,t:9|
CN([C@@H]1CC[C@@]2(O)[C@H]3CC4=C(C[C@H](O)CC4)[C@@]2(CCN3CC2CC2)C1)C(=O)\C=C\c1ccoc1 |r,t:9|
CN([C@H]1CC[C@@]2(O)[C@H]3CC4=C(C[C@H](O)CC4)[C@@]2(CCN3CC2CC2)C1)C(=O)\C=C\c1ccoc1 |r,t:9|
Oc1ccc2CC34CC5C(=O)CC3N(CC3CC3)CCC4(CC5=O)c2c1
Oc1ccc2CC34CC5CCC3N(CC3CC3)CCC4(CC5=O)c2c1
Oc1ccc2CC34CC5C=CC3N(CC3CC3)CCC4(CC5=O)c2c1 |c:9|
O[C@@H]1CC2N(CC3CC3)CCC34CC(=O)C1CC23Cc1ccc(O)cc41 |r|
O[C@H]1CC2N(CC3CC3)CCC34CC(=O)C1CC23Cc1ccc(O)cc41 |r|
CC1(C)O[C@@H]2N3[C@H]1OC(C)(C)[C@@H]3O[C@]21CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3Cc1ccccc1)c45 |r|
CC1(C)O[C@H]2N3[C@@H]1OC(C)(C)[C@H]3O[C@]21CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3Cc1ccccc1)c45 |r|
Oc1ccc2C[C@H]3N(Cc4ccccc4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@H]2CO[C@H]3CO[C@@H]1N23 |r|
Oc1ccc2C[C@H]3N(Cc4ccccc4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@@H]2CO[C@@H]3CO[C@H]1N23 |r|
CC(C)CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@@H]2N3[C@@H](OC2(C)C)C(C)(C)O[C@@H]13)ccc5O |r|
CC(C)CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@H]2N3[C@H](OC2(C)C)C(C)(C)O[C@H]13)ccc5O |r|
CC(C)CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@H]2CO[C@H]3CO[C@@H]1N23)ccc5O |r|
CC(C)CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@@H]2CO[C@@H]3CO[C@H]1N23)ccc5O |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@@H]2CO[C@@H]3CO[C@H]1N23 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@H]2CO[C@H]3CO[C@@H]1N23 |r|
CC1(C)O[C@H]2N3[C@@H]1O[C@]1(CC[C@@]4(O)[C@H]5Cc6ccc(O)c7O[C@@H]1[C@]4(CCN5CC1CC1)c67)[C@H]3OC2(C)C |r|
CC1(C)O[C@@H]2N3[C@H]1O[C@]1(CC[C@@]4(O)[C@H]5Cc6ccc(O)c7O[C@@H]1[C@]4(CCN5CC1CC1)c67)[C@@H]3OC2(C)C |r|
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@@H]2CO[C@@H]3CO[C@H]1N23)ccc5O |r|
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@H]2CO[C@H]3CO[C@@H]1N23)ccc5O |r|
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@H]2N3[C@H](OC2(C)C)C(C)(C)O[C@H]13)ccc5O |r|
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@@H]2N3[C@@H](OC2(C)C)C(C)(C)O[C@@H]13)ccc5O |r|
CC(C)C[C@H](NC(=O)[C@H](CC12CC3CC(CC(C3)C1)C2)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |TLB:17:12:19:16.18.15,17:16:19:12.11.13,THB:15:14:11:16.18.17,15:16:11:14.19.13|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](CC12CC3CC(CC(C3)C1)C2)C(N)=O |TLB:45:44:47:40.39.41,45:40:47:44.46.43,THB:43:42:39:44.46.45,43:44:39:42.47.41|
COc1ccc(C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H](CCSC)C(N)=O)cc1
C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC12CC3CC(CC(C3)C1)C2)C(N)=O |TLB:42:41:44:37.36.38,42:37:44:41.43.40,THB:40:39:36:41.43.42,40:41:36:39.44.38|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2N(CC(N)=O)C1=O |r|
C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2c(CN(CC(N)=O)C1=O)ccc1ccccc21 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccc(Br)cc2CN(CC(N)=O)C1=O |r|
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccc3ccccc3c2CN(CC(N)=O)C1=O |r|
C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2ccc3ccccc3c2CN(CC(N)=O)C1=O |r|
C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2c(CN(CC(N)=O)C1=O)ccc1ccccc21 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2c(CN(CC(N)=O)C1=O)ccc1ccccc21 |r|
[H][C@](N)(Cc1ccc(O)cc1)C(=O)N[C@]([H])(C)C(=O)N[C@@]([H])(Cc1ccccc1)C(=O)NCC(N)=O
COc1cccc(c1)C1(O)CCN(CC1CN(C)C)C(=O)C1(CCCC1)c1ccccc1
COc1cccc(c1)C1(O)CCN(CC1CN(C)C)C(=O)C1(CCC1)c1ccccc1
COc1cccc(c1)C1(O)CCN(CC1CN(C)C)C(=O)C1(CC1)c1ccccc1
COc1cccc(c1)C1(O)CCN(CC1CN(C)C)C(=O)C(C)(C)c1ccccc1
CN(C)CC1CN(CCc2cccc(c2)C(F)(F)F)CCC1(O)c1cccc(O)c1
COc1cccc(c1)C1(O)CCN(CCc2cccc(c2)C(F)(F)F)CC1CN(C)C
CN(C)CC1CN(CCC1(O)c1cccc(O)c1)C(=O)Cc1ccccc1
CN(C)CC1CN(CCC1(O)c1ccccc1)C(=O)Cc1ccccc1
CN(C)CC1CN(CCC1(O)c1cccc(O)c1)C(=O)Cc1ccccc1F
CN(C)CC1CN(CCC1(O)c1cccc(O)c1)C(=O)Cc1cccc(F)c1
CN(C)CC1CN(CCC1(O)c1cccc(O)c1)C(=O)Cc1ccc(F)cc1
CN(C)CC1CN(CCC1(O)c1cccc(O)c1)C(=O)Cc1ccccc1OC(F)(F)F
CN(C)CC1CN(CCC1(O)c1cccc(O)c1)C(=O)Cc1cccc(OC(F)(F)F)c1
CN(C)CC1CN(CCC1(O)c1cccc(O)c1)C(=O)Cc1ccc(OC(F)(F)F)cc1
CN(C)CC1CN(CCC1(O)c1cccc(O)c1)C(=O)Cc1ccccc1C
CN(C)CC1CN(CCC1(O)c1cccc(O)c1)C(=O)Cc1cccc(C)c1
CN(C)CC1CN(CCC1(O)c1cccc(O)c1)C(=O)Cc1ccc(C)cc1
CN(C)CC1CN(CCC1(O)c1cccc(O)c1)C(=O)Cc1ccccc1Cl
CN(C)CC1CN(CCC1(O)c1cccc(O)c1)C(=O)Cc1cccc(Cl)c1
CN(C)CC1CN(CCC1(O)c1cccc(O)c1)C(=O)Cc1ccc(Cl)cc1
CN(C)CC1CN(CCC1(O)c1cccc(O)c1)C(=O)CCc1ccccc1
CN(C)CC1CN(CCC1(O)c1cccc(O)c1)C(=O)CCc1ccccc1C(F)(F)F
CN(C)CC1CN(CCC1(O)c1cccc(O)c1)C(=O)CCc1cccc(c1)C(F)(F)F
COc1cccc(c1)C1(O)CCN(CC1CN(C)C)C(=O)CCc1cccc(c1)C(F)(F)F
COc1cccc(c1)C1(O)CCN(CC1CN(C)C)C(=O)Cc1cccc(Cl)c1
COc1cccc(c1)C1(O)CCN(CC1CN(C)C)C(=O)Cc1ccc(Cl)c(Cl)c1
COc1cccc(c1)C1(O)CCN(CC1CN(C)C)C(=O)Cc1cccc(F)c1
COc1cccc(c1)C1(O)CCN(CC1CN(C)C)C(=O)Cc1cccc(c1)C(F)(F)F
COc1cccc(c1)C1(O)CCN(CC1CN(C)C)C(=O)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
COc1cccc(c1)C1(O)CCN(CC1CN(C)C)C(=O)Cc1cccc(Br)c1
COc1cccc(c1)C1(O)CCN(CC1CN(C)C)C(=O)Cc1cccc(c1)[N+]([O-])=O
COc1cccc(c1)C1(O)CCN(CC1CN(C)C)C(=O)Cc1ccc2ccccc2c1
COc1cccc(c1)C1(O)CCN(CC1CN(C)C)C(=O)Cc1cccc2ccccc12
COc1cccc(c1)C1(O)CCN(CC1CN(C)C)C(=O)Cc1c[nH]c2ccccc12
COc1cccc(c1)C1(O)CCN(CC1CN(C)C)C(=O)Cn1ccc2ccccc12
CN(C)CC1CN(CCC1(O)c1cccc(O)c1)C(=O)Cc1cc(F)c(F)cc1F
CN(C)C[C@@H]1CN(CC[C@@]1(O)c1cccc(O)c1)C(=O)Cc1cc(F)c(F)cc1F |r|
CN(C)C[C@H]1CN(CC[C@]1(O)c1cccc(O)c1)C(=O)Cc1cc(F)c(F)cc1F |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)NCC(=O)NCCCC[C@@H](NC(=O)CNC(=O)CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)NCC(=O)NCCC(=O)NCCCC[C@@H](NC(=O)CCCNC(=O)CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)NCC(=O)NCCCC[C@@H](NC(=O)CCCCNC(=O)CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)NCC(=O)NCCC(=O)NCCCCCC(=O)NCCC(=O)NCCCC[C@@H](NC(=O)CCNC(=O)CCCCCNC(=O)CNC(=O)CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)NCC(=O)NCCCCCC(=O)NCCCC[C@@H](NC(=O)CCCCCNC(=O)CCNC(=O)CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)NCC(=O)NCCCCC(=O)NCCCC[C@@H](NC(=O)CCCCNC(=O)CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2CC1C(O)=O |r|
NCCCC[C@@H](NC(=O)CCCNC(=O)CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r|
C[C@@H]1CN([C@@H](c2cccc(O)c2)c2ccc3CCN(CCC(O)=O)Cc3c2)[C@@H](C)CN1Cc1ccccc1
C[C@@H]1CN([C@H](c2ccc3CN(Cc3c2)C(=O)c2ccccc2C(O)=O)c2cccc(O)c2)[C@@H](C)CN1Cc1ccccc1
C[C@@H]1CN([C@@H](c2cccc(F)c2)c2ccc3CCN(CCC(O)=O)Cc3c2)[C@@H](C)CN1Cc1ccccc1
COc1cccc(c1)[C@H](N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C)c1ccc2CN(CC(O)=O)Cc2c1
COc1cccc(c1)[C@H](N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C)c1ccc2CCN(Cc2c1)C(=O)CC(O)=O
C[C@@H]1CN([C@H](c2ccc3CN(Cc3c2)C(=O)c2cccc(c2)C(O)=O)c2cccc(O)c2)[C@@H](C)CN1Cc1ccccc1
C[C@@H]1CN([C@H](c2ccc3CN(Cc4ccccc4C(O)=O)Cc3c2)c2cccc(O)c2)[C@@H](C)CN1Cc1ccccc1
C[C@@H]1CN([C@H](c2ccc(CCC(O)=O)cc2)c2cccc(O)c2)[C@@H](C)CN1Cc1ccccc1
C[C@@H]1CN([C@H](c2ccc3CN(CCC(O)=O)Cc3c2)c2cccc(F)c2)[C@@H](C)CN1Cc1ccccc1
C[C@@H]1CN([C@@H](c2cccc(F)c2)c2ccc3CCN(Cc3c2)C(=O)CC(O)=O)[C@@H](C)CN1Cc1ccccc1
C[C@@H]1CN([C@@H](c2ccccc2)c2ccc3CN(CCC(O)=O)Cc3c2)[C@@H](C)CN1Cc1ccccc1
COc1cccc(c1)[C@H](N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C)c1ccc2CCN(CCC(O)=O)Cc2c1
C[C@@H]1CN([C@H](c2ccc(CC(O)=O)cc2)c2cccc(O)c2)[C@@H](C)CN1Cc1ccccc1
C[C@@H]1CN([C@H](c2ccc(cc2)-c2ccccc2C(O)=O)c2cccc(O)c2)[C@@H](C)CN1Cc1ccccc1
C[C@@H]1CN([C@H](c2ccc3CN(CCC(O)=O)Cc3c2)c2cccc(O)c2)[C@@H](C)CN1Cc1ccccc1
COc1cccc(c1)[C@H](N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C)c1ccc2CN(Cc2c1)C(=O)c1ccc(cc1)C(O)=O
C[C@@H]1CN([C@@H](c2cccc(O)c2)c2ccc3CCN(CC(O)=O)Cc3c2)[C@@H](C)CN1Cc1ccccc1
COc1cccc(c1)[C@H](N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C)c1ccc2CN(CCC(O)=O)Cc2c1
C[C@@H]1CN([C@H](c2ccc3CN(CC(O)=O)Cc3c2)c2cccc(O)c2)[C@@H](C)CN1Cc1ccccc1
CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2CC(F)(F)F)C(=O)\C=C\c1ccoc1 |r|
CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2CC(F)F)C(=O)\C=C\c1ccoc1 |r|
CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2CCF)C(=O)\C=C\c1ccoc1 |r|
CC(C)CN1CC[C@H]2c3c(C[C@@H]1[C@]2(O)CCCN(C)C(=O)\C=C\c1ccoc1)ccc(O)c3O |r|
CCCN1CC[C@H]2c3c(C[C@@H]1[C@]2(O)CCCN(C)C(=O)\C=C\c1ccoc1)ccc(O)c3O |r|
CCN1CC[C@H]2c3c(C[C@@H]1[C@]2(O)CCCN(C)C(=O)\C=C\c1ccoc1)ccc(O)c3O |r|
CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2C)C(=O)\C=C\c1ccoc1 |r|
[H][C@]12Cc3cc4sc(N)nc4cc3[C@@](C)(CCN1CC1CC1)[C@H]2C |r,THB:11:12:22:15.16.17,18:17:22:3.12.2|
[H][C@]12Cc3cc4sc(N)nc4cc3[C@@](C)(CCN1CC1CCC1)[C@H]2C |r,THB:11:12:23:15.16.17,18:17:23:3.12.2|
[H][C@@]12[C@H](C)[C@](C)(CCN1CC1CCCO1)c1cc(O)ccc1C2=O |r,TLB:16:15:2:6.7.8,9:8:2:21.15.22,THB:23:22:2:6.7.8|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CCc3ccccc3)cc12 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CCNc2ccc(CCc3ccccc3)cc12 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CCNc2ccc(Cc3ccc4ccccc4c3)cc12 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CCNc2ccc(CC3Cc4ccccc4C3)cc12 |r|
C[C@@H](NC(=O)C[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O)Cc1ccc(O)cc1 |r|
C[C@H](CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)NCC(=O)N[C@H](CC(N)=O)Cc1ccccc1)Cc1ccccc1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)NC[C@@H]1OC(=O)N([C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)NC[C@H]1OC(=O)N([C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)NC[C@@H]1OC(=O)N([C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)NC[C@H]1OC(=O)N([C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O |r|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5([H])C(=O)[C@@H](O)[C@@H]2O)C(=O)OC)ccc3O |r,THB:21:9:13:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5([H])C=C[C@@H]2O)C(=O)OC)ccc3O |r,c:18,THB:19:9:13:4.5.6|
CCOC(=O)C[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCN(CC2)C2CCCCC2)O1 |r,wU:6.5,17.21,(36.64,-28.39,;37.97,-29.17,;39.31,-28.4,;40.63,-29.18,;40.62,-30.72,;41.97,-28.42,;43.3,-29.2,;44.64,-28.44,;45.96,-29.21,;47.28,-28.43,;48.62,-29.2,;48.62,-30.75,;47.28,-31.52,;45.95,-30.75,;44.62,-31.51,;43.28,-32.27,;43.27,-33.8,;44.6,-34.58,;45.93,-33.82,;45.95,-32.28,;44.58,-36.12,;43.24,-36.87,;43.22,-38.41,;44.55,-39.19,;45.89,-38.43,;45.91,-36.89,;44.54,-40.73,;43.19,-41.48,;43.17,-43.01,;44.49,-43.81,;45.84,-43.05,;45.86,-41.51,;43.29,-30.74,)|
O[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCN(CC2)C2CCCCC2)O1 |r,wU:1.0,12.16,(56.67,-24.62,;58,-25.4,;59.33,-24.64,;60.65,-25.41,;61.98,-24.63,;63.31,-25.39,;63.32,-26.95,;61.98,-27.72,;60.65,-26.95,;59.31,-27.71,;57.97,-28.47,;57.96,-30,;59.29,-30.78,;60.63,-30.02,;60.64,-28.48,;59.28,-32.32,;57.93,-33.07,;57.92,-34.61,;59.25,-35.4,;60.59,-34.64,;60.61,-33.09,;59.23,-36.93,;57.89,-37.69,;57.87,-39.22,;59.19,-40.01,;60.54,-39.26,;60.56,-37.71,;57.99,-26.93,)|
FCC[C@@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCN(CC2)C2CCCCC2)O1 |r,wU:14.18,wD:3.2,(21.73,-5.98,;23.06,-6.76,;24.4,-6,;25.73,-6.78,;27.06,-6.02,;28.38,-6.79,;29.71,-6.01,;31.04,-6.78,;31.05,-8.33,;29.71,-9.1,;28.38,-8.33,;27.04,-9.09,;25.7,-9.85,;25.7,-11.38,;27.02,-12.16,;28.36,-11.4,;28.37,-9.86,;27.01,-13.7,;25.67,-14.45,;25.65,-15.99,;26.98,-16.77,;28.32,-16.01,;28.34,-14.47,;26.97,-18.31,;25.62,-19.06,;25.6,-20.59,;26.92,-21.39,;28.27,-20.63,;28.29,-19.09,;25.72,-8.32,)|
FCC[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCN(CC2)C2CCCCC2)O1 |r,wU:3.2,14.18,(22.21,-27.33,;23.54,-28.11,;24.88,-27.35,;26.21,-28.13,;27.55,-27.37,;28.87,-28.14,;30.19,-27.36,;31.53,-28.13,;31.53,-29.68,;30.19,-30.45,;28.86,-29.68,;27.53,-30.43,;26.19,-31.2,;26.18,-32.73,;27.5,-33.51,;28.84,-32.75,;28.85,-31.2,;27.49,-35.05,;26.15,-35.8,;26.13,-37.33,;27.46,-38.12,;28.8,-37.36,;28.82,-35.82,;27.45,-39.66,;26.1,-40.41,;26.08,-41.94,;27.4,-42.73,;28.75,-41.98,;28.77,-40.44,;26.2,-29.66,)|
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(N)=O |r|
C[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=N)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(N)=O |r|
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
C[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=N)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
NS(=O)(=O)c1ccc(cc1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O
NC(=O)c1ccc(cc1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O
NCCCNC(=O)c1ccc(s1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCc2ccc(CSC[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)NNC(=O)[C@H](Cc3ccccc3)NC(=O)CNC1=O)cc2
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCc2cccc(CSC[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)NNC(=O)[C@H](Cc3ccccc3)NC(=O)CNC1=O)c2
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCc2ccccc2CSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)C(O)c1ccc(cc1)-c1ccccc1)ccc3OC |r,THB:10:9:17:5.6.4|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)OC(=O)c1ccccc1)ccc3OC |r,THB:10:9:17:5.6.4|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)C(=O)c1ccc(cc1)C(F)(F)F)ccc3OC |r,THB:10:9:17:5.6.4|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)C(=O)c1ccc(OC)cc1)ccc3OC |r,THB:10:9:17:5.6.4|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)OC(=O)c1ccc(cc1)C(F)(F)F)ccc3OC |r,THB:10:9:17:5.6.4|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@H](C(=O)c4ccccc4)[C@]2(OC)C=C1)ccc3OC |r,wU:16.16,1.0,wD:17.38,28.36,7.7,19.23,c:37,THB:10:9:17:5.6.4,(9.78,-11.07,;9.03,-9.74,;7.65,-10.81,;5.94,-9.74,;6.72,-8.4,;5.95,-7.07,;6.71,-5.74,;8.25,-5.74,;9.79,-5.74,;9.03,-4.41,;9.78,-3.07,;11.32,-3.05,;12.66,-3.81,;12.64,-2.27,;7.47,-5.14,;7.41,-7.18,;8.25,-8.41,;9.02,-7.07,;10.56,-7.06,;11.34,-8.4,;12.88,-8.4,;13.65,-7.07,;13.65,-9.73,;12.87,-11.06,;13.64,-12.4,;15.18,-12.4,;15.95,-11.05,;15.18,-9.72,;10.59,-9.7,;11.34,-11.07,;10.57,-12.41,;9.25,-8.93,;10.35,-7.84,;4.41,-7.06,;3.64,-8.38,;4.4,-9.72,;3.62,-11.05,;2.08,-11.04,)|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)C(=O)c1ccccc1)ccc3OC |r,THB:10:9:17:5.6.4|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)C(O)c1ccccc1)ccc3OC |r,THB:10:9:17:5.6.4|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)OC(C)=O)ccc3OC |r,THB:10:9:17:5.6.4|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)C(=O)c1ccc(cc1)-c1ccccc1)ccc3OC |r,THB:10:9:17:5.6.4|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(CO)C1)ccc3OC |r,THB:10:9:17:5.6.4|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)C(=O)c1cccc(OC)c1)ccc3OC |r,THB:10:9:17:5.6.4|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)C(O)c1ccc(cc1)C(F)(F)F)ccc3OC |r,THB:10:9:17:5.6.4|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)C(O)c1cccc(OC)c1)ccc3OC |r,THB:10:9:17:5.6.4|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)C=O)ccc3OC |r,THB:10:9:17:5.6.4|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)OC(=O)C(C)C)ccc3OC |r,THB:10:9:17:5.6.4|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)C(O)c1ccc(OC)cc1)ccc3OC |r,THB:10:9:17:5.6.4|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1C2Nc2ccc(CCNC(=N)CCCC)cc12)ccc3O |r,THB:10:9:17:4.5.6|
COc1ccc(cc1)N(CCCCN1CCC(O)(CC1)c1ccc(Cl)c(c1)C(F)(F)F)c1ccc(OC)cc1
OC1(CCN(CCCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
OC1(CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
OC1(CCN(CCCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
OC1(CCN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
c1cc(ccc1C(CCCN2CCC(CC2)(c3ccc(c(c3)C(F)(F)F)Cl)O)c4ccc(cc4)F)F
[H][C@@]12C[C@@H]([C@H](CC)CN1CCc1c2[nH]c2cccc(O)c12)C(=C/OC)\C(=O)OC
[H][C@@]12C[C@@H]([C@H](CC)CN1CCc1c2[nH]c2ccccc12)C(=C/OC)\C(=O)OC |r|
[H][C@@]1(CC)CN2CCc3c([nH]c4cccc(OC)c34)[C@]2([H])C[C@]1([H])C(=C/OC)\C(=O)OC
[H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@@]1(O)C2=Nc2cccc(OC)c12)C(=C/OC)\C(=O)OC |t:15|
CCC1CN2CC[C@]3([C@@H]2CC1/C(=C\OC)/C(=O)OC)C(=O)c4c(cccc4OC)N3
[H][C@]12CN(C)C[C@@]1([H])C1(CCN(CC1)[C@@H]1CC[C@@H](CC1)C(C)C)N(C2)c1ccccc1 |wU:14.15,17.22,6.7,1.0,(17.01,-3.4,;15.89,-2.33,;17.15,-1.42,;16.68,.04,;17.59,1.28,;15.15,.05,;14.66,-1.42,;13.63,-.28,;13.4,-2.33,;12.77,-3.73,;11.26,-3.89,;10.35,-2.64,;10.98,-1.23,;12.49,-1.07,;8.81,-2.8,;7.9,-1.56,;6.37,-1.72,;5.74,-3.12,;6.65,-4.38,;8.18,-4.22,;4.2,-3.28,;3.57,-4.69,;3.32,-2.03,;13.89,-3.8,;15.43,-3.8,;13.05,-5.08,;13.73,-6.45,;12.89,-7.74,;11.35,-7.65,;10.65,-6.27,;11.51,-4.98,)|
[H][C@]12CN(CCN3CCOCC3)C[C@@]1([H])C1(CCN(CC1)[C@@H]1CC[C@@H](CC1)C(C)C)N(C2)c1ccccc1 |wU:21.23,24.30,1.0,13.15,(8.25,-5.32,;7.14,-4.25,;8.39,-3.34,;7.92,-1.87,;8.84,-.63,;10.37,-.79,;11.27,.44,;10.67,1.86,;11.56,3.09,;13.1,2.93,;13.73,1.53,;12.81,.28,;6.38,-1.87,;5.89,-3.34,;4.87,-2.19,;4.64,-4.24,;3.73,-2.99,;2.21,-3.15,;1.58,-4.55,;2.49,-5.81,;4.01,-5.64,;.05,-4.71,;-.85,-3.47,;-2.39,-3.63,;-3.02,-5.04,;-2.11,-6.29,;-.57,-6.13,;-4.56,-5.19,;-5.45,-3.94,;-5.19,-6.6,;5.13,-5.71,;6.67,-5.71,;4.29,-6.99,;2.75,-6.89,;1.89,-8.16,;2.59,-9.56,;4.12,-9.65,;4.97,-8.37,)|
[H][C@]12CN(Cc3ccccc3)C[C@@]1([H])C1(CCN(CC1)[C@@H]1CC[C@@H](CC1)C(C)C)N(C2)c1ccccc1 |wU:20.22,23.29,12.14,1.0,(8.65,-5.09,;7.53,-4.02,;8.79,-3.11,;8.32,-1.64,;9.23,-.4,;10.77,-.56,;11.66,.68,;13.19,.51,;13.82,-.89,;12.91,-2.13,;11.38,-1.96,;6.79,-1.64,;6.3,-3.11,;5.27,-1.96,;5.06,-4.01,;4.43,-5.41,;2.9,-5.58,;1.99,-4.32,;2.62,-2.92,;4.15,-2.76,;.45,-4.48,;-.46,-3.24,;-1.98,-3.4,;-2.61,-4.81,;-1.7,-6.06,;-.18,-5.89,;-4.15,-4.96,;-5.05,-3.71,;-4.79,-6.37,;5.53,-5.47,;7.07,-5.47,;4.69,-6.76,;3.15,-6.66,;2.31,-7.93,;2.99,-9.33,;4.53,-9.42,;5.38,-8.14,)|
[H][C@]12CN(CCO)C[C@@]1([H])C1(CCN(CC1)[C@@H]1CC[C@@H](CC1)C(C)C)N(C2)c1ccccc1 |wU:16.17,19.24,8.9,1.0,(13.25,-6.15,;12.15,-5.08,;13.39,-4.17,;12.92,-2.72,;13.84,-1.47,;15.36,-1.64,;16.27,-.4,;11.39,-2.71,;10.9,-4.17,;9.87,-3.03,;9.66,-5.08,;9.04,-6.48,;7.5,-6.64,;6.59,-5.4,;7.22,-3.99,;8.76,-3.82,;5.07,-5.56,;4.16,-4.31,;2.64,-4.47,;2.01,-5.87,;2.92,-7.13,;4.43,-6.96,;.47,-6.03,;-.16,-7.45,;-.43,-4.78,;10.14,-6.55,;11.68,-6.55,;9.29,-7.83,;9.99,-9.2,;9.13,-10.49,;7.59,-10.4,;6.92,-9.01,;7.76,-7.73,)|
[H][C@]12CN(C)C[C@@]1([H])C1(CCN(CC1)C1CCCCCCCC1)N(C2)c1ccccc1
[H][C@]12CNC[C@@]1([H])C1(CCN(CC1)[C@@H]1CC[C@@H](CC1)C(C)C)N(C2)c1ccccc1 |wU:13.14,16.21,1.0,5.6,(6.85,-4.97,;5.74,-3.9,;6.99,-2.99,;6.52,-1.52,;4.98,-1.52,;4.5,-2.99,;3.47,-1.84,;3.25,-3.89,;2.62,-5.29,;1.09,-5.46,;.19,-4.2,;.82,-2.8,;2.34,-2.64,;-1.34,-4.36,;-2.25,-3.12,;-3.79,-3.28,;-4.42,-4.69,;-3.51,-5.94,;-1.97,-5.78,;-5.95,-4.84,;-6.85,-3.59,;-6.58,-6.25,;3.73,-5.36,;5.27,-5.36,;2.89,-6.64,;1.35,-6.54,;.5,-7.81,;1.19,-9.21,;2.72,-9.3,;3.57,-8.02,)|
[H][C@]12CN(C)C[C@@]1([H])C1(CCN(CC1)[C@H]1CC[C@]3([H])CCCC[C@]3([H])C1)N(C2)c1ccccc1
[H][C@]12CN(CCCC)C[C@@]1([H])C1(CCN(CC1)[C@@H]1CC[C@@H](CC1)C(C)C)N(C2)c1ccccc1 |wU:17.18,20.25,1.0,9.10,(8.36,-6.3,;7.25,-5.22,;8.5,-4.32,;8.04,-2.86,;8.95,-1.61,;10.48,-1.78,;11.39,-.54,;12.91,-.71,;6.5,-2.85,;6.01,-4.32,;4.98,-3.18,;4.76,-5.22,;4.13,-6.62,;2.61,-6.79,;1.7,-5.54,;2.33,-4.13,;3.85,-3.97,;.17,-5.71,;-.74,-4.46,;-2.27,-4.62,;-2.9,-6.02,;-2,-7.27,;-.46,-7.11,;-4.44,-6.18,;-5.07,-7.58,;-5.33,-4.92,;5.25,-6.69,;6.79,-6.69,;4.4,-7.97,;2.86,-7.88,;2.01,-9.16,;2.7,-10.55,;4.24,-10.64,;5.09,-9.35,)|
[H][C@]12CN(C)C[C@@]1([H])C1(CCN(CC1)C1CCCCCCCCC1)N(C2)c1ccccc1
[H][C@]12CN(C[C@@]1([H])C1(CCN(CC1)[C@@H]1CC[C@@H](CC1)C(C)C)N(C2)c1ccccc1)c1ccccc1 |wU:13.14,16.21,1.0,5.6,(10.85,-8.1,;9.73,-7.03,;10.99,-6.12,;10.52,-4.66,;8.99,-4.65,;8.5,-6.12,;7.48,-4.96,;7.26,-7.01,;6.63,-8.42,;5.1,-8.58,;4.2,-7.34,;4.82,-5.93,;6.35,-5.77,;2.66,-7.5,;1.75,-6.24,;.23,-6.41,;-.4,-7.8,;.51,-9.06,;2.03,-8.89,;-1.93,-7.96,;-2.57,-9.38,;-2.83,-6.72,;7.73,-8.48,;9.27,-8.48,;6.89,-9.75,;7.58,-11.14,;6.73,-12.43,;5.2,-12.34,;4.51,-10.94,;5.36,-9.66,;11.43,-3.4,;12.98,-3.59,;13.9,-2.33,;13.27,-.92,;11.72,-.75,;10.8,-2,)|
[H][C@]12CN(CC3CC3)C[C@@]1([H])C1(CCN(CC1)[C@@H]1CC[C@@H](CC1)C(C)C)N(C2)c1ccc(F)cc1 |wU:17.19,20.26,9.11,1.0,(11.12,-5.64,;10.02,-4.57,;11.26,-3.66,;10.79,-2.21,;11.72,-.96,;13.24,-1.13,;14.47,-2.03,;14.65,-.51,;9.25,-2.2,;8.77,-3.66,;7.74,-2.52,;7.53,-4.57,;6.62,-3.32,;5.09,-3.48,;4.46,-4.89,;5.36,-6.13,;6.9,-5.97,;2.93,-5.05,;2.03,-3.8,;.5,-3.97,;-.13,-5.36,;.78,-6.62,;2.31,-6.46,;-1.67,-5.53,;-2.31,-6.94,;-2.58,-4.27,;8.01,-6.04,;9.55,-6.04,;7.16,-7.32,;5.62,-7.23,;4.78,-8.51,;5.46,-9.9,;4.69,-11.23,;6.99,-9.99,;7.86,-8.7,)|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c4C[C@@]5(O)[C@@]6([H])Cc7ccc(O)c8O[C@@]([H])(c4n(Cc4ccccc4)c21)[C@]5(CCN6CC1CC1)c78)ccc3O |TLB:51:50:23:55.28.27,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)Cc1c4CC5(O)[C@@]6([H])Cc7ccc(O)c(O)c7[C@@]5(CCN6C)[C@@H](C)c4n(Cc4ccccc4)c21)ccc3O |TLB:37:36:20:32.25.24,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)Cc1c4C[C@@]5(O)[C@@]6([H])Cc7ccc(O)c8O[C@@]([H])(c4[nH]c21)[C@]5(CCN6C)c78)ccc3O |r,TLB:41:40:20:42.25.24,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2c(NC(=O)c4ccc5cc(C=O)c(C=O)cc5c4)cccc12)ccc3O |THB:10:9:17:6.4.5|
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3ncn[nH]3)c2=O)C(C)C)c1
COC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
OC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
COc1cc(O)c2c(CC(=O)CCCC(=O)CCC[C@@H](C)OC2=O)c1 |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)\C=C\C(=O)OCC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)\C=C\C(=O)OC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)CCCCC(=O)OC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)CCC(=O)OCC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)CC(=O)OC(C)(C)C)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)CC(=O)OC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)CCC(O)=O)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)CC(=O)OCC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)CCCC(=O)OC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)c4ccccc4C(O)=O)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)CCC(=O)OC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)CSC#N)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)CCCC(O)=O)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)\C=C/C(O)=O)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@]12CN(CCc3ccccc3)CC[C@@]1(CCc1ccccc1)c1cc(O)ccc1O2 |r|
[H][C@]12CN(C)CC[C@@]1(CCc1ccc(F)cc1)c1cc(O)ccc1O2 |r|
[H][C@]12CN(C)CC[C@@]1(CCC)c1cc(O)ccc1O2 |r|
[H][C@]12CN(C)CC[C@@]1(C)c1cc(O)ccc1O2 |r|
[H][C@]12CN(C)CC[C@@]1(CCCCCc1ccccc1)c1cc(O)ccc1O2 |r|
[H][C@]12CN(C)CC[C@@]1(CCCCc1ccccc1)c1cc(O)ccc1O2 |r|
[H][C@]12CN(CCc3ccccc3C(F)(F)F)CC[C@@]1(CCc1ccccc1)c1cc(O)ccc1O2 |r|
[H][C@]12CN(CCc3ccccc3F)CC[C@@]1(CCc1ccccc1)c1cc(O)ccc1O2 |r|
[H][C@]12CN(CCc3ccc(F)cc3)CC[C@@]1(CCc1ccccc1)c1cc(O)ccc1O2 |r|
[H][C@]12CN(C)CC[C@@]1(CCCCC)c1cc(O)ccc1O2 |r|
[H][C@]12CN(CC3CC3)CC[C@@]1(CCc1ccccc1)c1cc(O)ccc1O2 |r|
[H][C@]12CN(C)CC[C@@]1(CCc1ccccc1)c1cc(O)ccc1O2 |r|
[H][C@]12CN(CCc3ccc(cc3)C(F)(F)F)CC[C@@]1(CCc1ccccc1)c1cc(O)ccc1O2 |r|
CC[C@@]12CCN(CC3CC3)C[C@@H]1Oc1ccc(O)cc21
[H][C@]12CN(CCCc3ccccc3)CC[C@@]1(CCc1ccccc1)c1cc(O)ccc1O2 |r|
[H][C@]12CN(C)CC[C@@]1(CCCc1ccccc1)c1cc(O)ccc1O2 |r|
[H][C@]12CN(CCc3cccc(c3)C(F)(F)F)CC[C@@]1(CCc1ccccc1)c1cc(O)ccc1O2 |r|
[H][C@]12CN(C)CC[C@@]1(CCCC)c1cc(O)ccc1O2 |r|
[H][C@]12CN(CC=C)CC[C@@]1(CCc1ccccc1)c1cc(O)ccc1O2 |r|
[H][C@]12CN(C)CC[C@@]1(CCc1ccccc1F)c1cc(O)ccc1O2 |r|
[H][C@]12CN(C)CC[C@@]1(Cc1ccccc1)c1cc(O)ccc1O2 |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(=O)NCCCCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(=O)N[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CCC(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(=O)N[C@@H](C(C)C)C(N)=O |r|
CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(O)=O |r|
CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCNC(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1 |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O |r|
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)NCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O |r|
CC(C)[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H](CCC(=O)NCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)NCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1 |r|
O=C(CN1C(=O)c2ccccc2C1=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
O=C(NCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)OCC1c2ccccc2-c2ccccc12
O=C(CCNC(=O)c1ccccc1)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1 |r|
CC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1 |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(O)=O |r|
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCC(=O)NCCCCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(=O)N[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCC(=O)NCCCCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(N)=O |r|
O=C(CN1C(=O)c2ccccc2C1=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@]14[C@@]51CC[C@@]2(O)[C@H](CC(=O)NCc2ccccc2)N1C(C)=O)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@]14[C@@]51CC[C@@]2(O)[C@@H](CC(=O)Nc2ccccc2)N1C(C)=O)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(O)[C@@H](N1CC(F)(F)F)C(=O)Nc1ccccc1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(O)[C@H](N1CC(F)(F)F)C(=O)Nc1ccccc1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@]14[C@@]51CC[C@@]2(O)[C@H](CC(=O)NCc2ccccc2)N1CC1CC1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(O)[C@@H](N1CC1CC1)C(=O)Nc1ccccc1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(O)[C@H](N1CC1CC1)C(=O)Nc1ccccc1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@]14[C@@]51CC[C@@]2(O)[C@H](CC(=O)Nc2ccccc2)N1C)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@]14[C@@]51CC[C@@]2(O)[C@@H](CC(=O)NCc2ccccc2)N1C)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(O)[C@H](N1C)C(=O)Nc1ccccc1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@]14[C@@]51CC[C@@]2(O)[C@H](CC(=O)Nc2ccccc2)N1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(O)[C@@H](N1)C(=O)Nc1ccccc1)ccc3O
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@]1(O)CC[C@@]35O[C@@H]1C(=O)Nc1ccccc1 |r,THB:26:25:22.21:14.15|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@]14[C@@]51CC[C@@]2(O)[C@H](CC(=O)NCc2ccccc2)N1C)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@]14[C@@]51CC[C@@]2(O)[C@@H](CC(=O)Nc2ccccc2)N1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@]14[C@@]51CC[C@@]2(O)[C@@H](CC(=O)NCc2ccccc2)N1CC1CC1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(O)[C@H](N1)C(=O)Nc1ccccc1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@]14[C@@]51CC[C@@]2(O)[C@H](CC(=O)Nc2ccccc2)N1CC1CC1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@]14[C@@]51CC[C@@]2(O)[C@@H](CC(=O)NCc2ccccc2)N1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(O)[C@@H](N1C(C)=O)C(=O)Nc1ccccc1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@]14[C@@]51CC[C@@]2(O)[C@@H](CC(=O)Nc2ccccc2)N1C)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(O)[C@@H](N1Cc1ccccc1)C(=O)Nc1ccccc1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@]14[C@@]51CC[C@@]2(O)[C@@H](CC(=O)Nc2ccccc2)N1CC1CC1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@]14[C@@]51CC[C@@]2(O)[C@H](CC(=O)NCc2ccccc2)N1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(O)[C@H](N1)C(=O)NCc1ccccc1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(O)[C@@H](N1C)C(=O)Nc1ccccc1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@]14[C@@]51CC[C@@]2(O)[C@H](CC(=O)Nc2ccccc2)N1C(C)=O)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)c1ccc2ccccc2c1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)c1ccc2ccccc2n1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)c1ccncc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)c1ccccn1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)c1cccnc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)c1cnc2ccccc2c1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)c1cc2ccccc2cn1)ccc3O |r,THB:10:9:17:4.5.6|
CS\C1=N\C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CN1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r,t:2|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CN\C(=N/C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O)N1CCCCC1 |r,c:17|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CN\C(=N/C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O)N1CCCC1 |r,c:17|
CN(C)C1=N/C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CN\1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r,t:3|
CCN\C1=N\C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CN1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r,t:3|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CN\C(N)=N/C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O |r,c:18|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CNC(=S)NC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O |r|
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCCN\C(=N/CCC[C@H](NC1=O)C(N)=O)N(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,c:29|
CS\C1=N\CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCCN1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r,t:2|
CN\C1=N\C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CN1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r,t:2|
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCCN\C(N)=N/CCC[C@H](NC1=O)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,c:30|
C\N=C1\NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCCN1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCCN\C(=N/CCC[C@H](NC1=O)C(N)=O)N1CCCC1)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,c:29|
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCCNC(=S)NCCC[C@H](NC1=O)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1 |r|
CCC(=O)N(C1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1 |r|
CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1 |r|
CCC(=O)N(C1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1 |r|
CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1 |r|
CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(O)=O |r|
CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)N1C[C@H](Cc2ccccc2C1)C(N)=O)Cc1ccccc1
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NC[C@H](Cc1ccccc1)C(=O)NC[C@H](Cc1ccccc1)C(N)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)N1Cc2ccccc2C[C@H]1CC(N)=O)Cc1ccccc1
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)N[C@H](CC(N)=O)Cc1ccccc1)Cc1ccccc1
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)NC[C@H](Cc1ccccc1)C(N)=O)Cc1ccccc1
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)N1C[C@@H](Cc2ccccc2C1)C(N)=O)Cc1ccccc1
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)NC[C@@H](Cc1ccccc1)C(N)=O)Cc1ccccc1
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O |r|
CN(CCCc1ccccc1)[C@H]1CCCC[C@@H]1O |r|
CN(C)[C@H]1CCCC[C@@H]1OC\C=C\c1ccccc1 |r|
CN(C)[C@H]1CCCC[C@@H]1OCCCc1ccccc1 |r|
CN(CCc1ccccc1)[C@H]1CCCC[C@@H]1O |r|
CN(CCCc1ccccc1)[C@H]1CCCC[C@@H]1OCCCc1ccccc1 |r|
CN(CCc1ccccc1)[C@H]1CCCC[C@@H]1OCCCc1ccccc1 |r|
[H][C@]12C[C@@H](O)C[C@@](CCN1C)(C2)c1cccc(O)c1 |r|
[H][C@@]12C[C@H](C)C[C@@](CCN1C)(C2)c1cccc(O)c1 |r|
[H][C@@]12C[C@@H](C[C@@](CCN1C)(C2)c1cccc(O)c1)c1ccccc1 |r|
[H][C@@]12C[C@@](CC[C@@H]1C)(CCN2C)c1cccc(O)c1 |r|
[H][C@@]12C[C@@](CC[C@@H]1C)(CCN2CCc1ccccc1)c1cccc(O)c1 |r|
[H][C@@]12C[C@@H](C[C@@](CCN1CCc1ccccc1)(C2)c1cccc(O)c1)c1ccccc1 |r|
[H][C@]12CCCC[C@]1([H])[C@@]1([H])C[C@](CCN1C)(C2)c1cccc(O)c1 |r|
[H][C@@]12CC(=O)C[C@@](CCN1CCc1ccccc1)(C2)c1cccc(O)c1 |r|
[H][C@]12C[C@@H](O)C[C@@](CCN1CCc1ccccc1)(C2)c1cccc(O)c1 |r|
[H][C@]12CCCC[C@]1([H])[C@@]1([H])C[C@](CCN1CCc1ccccc1)(C2)c1cccc(O)c1 |r|
[H][C@@]12C[C@H](C)C[C@@](CCN1CCc1ccccc1)(C2)c1cccc(O)c1 |r|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C[C@@H](C)[C@@H]2O)c(C)cc3OC |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C[C@@H](OC)[C@@H]2O)ccc3OC |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C[C@@H](C)[C@H]2F)c(C)cc3OC |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C[C@@H](C)[C@@H]2O)ccc3OC |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C[C@@H](C)[C@@H]2OC)ccc3OC |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C[C@@H](F)[C@@H]2O)ccc3OC |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C[C@@H](O)[C@@H]2O)ccc3OC |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C[C@@H](C)[C@@H]2O)ccc3O |r,THB:10:9:14:4.5.6|
Cc1cc(O)cc(C)c1C[C@H](NC(N)=N)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r|
Cc1cc(O)cc(C)c1C[C@H](NC(N)=N)C(=O)N1Cc2ccccc2C[C@H]1CN[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](NC(N)=N)C(=O)N1Cc2ccccc2C[C@H]1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
NC(=N)N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Cc1cc(O)cc(C)c1C[C@H](NC(N)=N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Cc1cc(O)cc(C)c1C[C@H](NC(N)=N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CN[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](NC(N)=N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
NC(=N)N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
CN([C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCO)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
CN([C@@H](Cc1ccccc1)C(=O)NCCO)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCO
CN([C@@H](Cc1ccccc1)C(=O)NCCO)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
CN(CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCO)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)n1cc(CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)nn1)C(O)=O |r|
CC(C)C[C@@H](C(O)=O)n1cc(nn1)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)Cn1cc(nn1)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1cc(CNC(=O)[C@@H](N)Cc2ccc(O)cc2)nn1)C(O)=O |r|
CCN(CC)C(=O)c1ccc(cc1)C(N1C2CCC3C1CCC2N3CC=C)c1cccc(O)c1 |TLB:13:14:16.17:22.23,13:14:20.21:18.23,17:18:14.15:20.21,24:23:14.19:16.17,THB:16:15:20.21:18.23,20:19:16.17:22.23,21:22:14.19:16.17,23:18:14:20.21.22,23:22:14:16.17.18,24:23:14.15:20.21|
COc1cccc(c1)C(N1C2CCC3C1CCC2N3CC=C)c1ccc(cc1)C(=O)N1CCCCC1 |TLB:8:9:15.16:13.18,8:9:11.12:17.18,12:13:9.10:15.16,19:18:9.14:11.12,THB:15:14:11.12:17.18,16:17:9.14:11.12,11:10:15.16:13.18,18:17:9:11.12.13,18:13:9:15.16.17,19:18:9.10:15.16|
Oc1cccc(c1)C(N1C2CCC1C1CCC2N1CC=C)c1ccc(cc1)C(=O)NC1CCCCC1 |TLB:15:16:8:11.10,14:13:8:11.10,7:8:17:15.14,THB:11:12:17:15.14,10:9:17:15.14,18:17:8:11.10|
Oc1cccc(c1)C(N1C2CCC1C1CCC2N1CC=C)c1ccc(cc1)C(=O)N1CCCC1 |TLB:15:16:8:11.10,14:13:8:11.10,7:8:17:15.14,THB:11:12:17:15.14,10:9:17:15.14,18:17:8:11.10|
CCN(CC)C(=O)c1ccc(cc1)C(N1C2CCC1C1CCC2N1CC=C)c1cccc(O)c1 |TLB:21:22:14:17.16,20:19:14:17.16,13:14:23:21.20,THB:17:18:23:21.20,16:15:23:21.20,24:23:14:17.16|
CCN(CC)C(=O)c1ccc(cc1)C(N1C2CCC1C1CCC2N1CC=C)c1cccc(OC)c1 |TLB:21:22:14:17.16,20:19:14:17.16,13:14:23:21.20,THB:17:18:23:21.20,16:15:23:21.20,24:23:14:17.16|
COc1cccc(c1)C(N1C2CCC1C1CCC2N1CC=C)c1ccc(cc1)C(=O)NC1CCCCC1 |TLB:16:17:9:12.11,15:14:9:12.11,8:9:18:16.15,THB:12:13:18:16.15,11:10:18:16.15,19:18:9:12.11|
Oc1cccc(c1)C(N1C2CCC1C1CCC2N1CC=C)c1ccc(cc1)C(=O)N1CCCCC1 |TLB:15:16:8:11.10,14:13:8:11.10,7:8:17:15.14,THB:11:12:17:15.14,10:9:17:15.14,18:17:8:11.10|
COc1cccc(c1)C(N1C2CCC3C1CCC2N3CC=C)c1ccc(cc1)C(=O)N1CCCC1 |TLB:8:9:11.12:17.18,8:9:15.16:13.18,12:13:9.10:15.16,19:18:9.14:11.12,THB:11:10:15.16:13.18,15:14:11.12:17.18,16:17:9.14:11.12,18:13:9:15.16.17,18:17:9:11.12.13,19:18:9.10:15.16|
COc1cccc(c1)C(N1C2CCC1C1CCC2N1CC=C)c1ccc(cc1)C(=O)N1CCCC1 |TLB:16:17:9:12.11,15:14:9:12.11,8:9:18:16.15,THB:12:13:18:16.15,11:10:18:16.15,19:18:9:12.11|
CCN(CC)C(=O)c1ccc(cc1)C(N1C2CCC3C1CCC2N3CC=C)c1cccc(OC)c1 |TLB:13:14:16.17:22.23,13:14:20.21:18.23,17:18:14.15:20.21,24:23:14.19:16.17,THB:16:15:20.21:18.23,20:19:16.17:22.23,21:22:14.19:16.17,23:18:14:20.21.22,23:22:14:16.17.18,24:23:14.15:20.21|
CN(C)C(=O)c1ccc(cc1)C(N1C2CCC1C1CCC2N1CC=C)c1cccc(O)c1 |TLB:19:20:12:15.14,18:17:12:15.14,11:12:21:19.18,THB:15:16:21:19.18,14:13:21:19.18,22:21:12:15.14|
Oc1cccc(c1)C(N1C2CCC3C1CCC2N3CC=C)c1ccc(cc1)C(=O)N1CCCCC1 |TLB:7:8:10.11:16.17,7:8:14.15:12.17,11:12:8.9:14.15,18:17:8.13:10.11,THB:10:9:14.15:12.17,14:13:10.11:16.17,15:16:8.13:10.11,17:12:8:14.15.16,17:16:8:10.11.12,18:17:8.9:14.15|
COc1cccc(c1)C(N1C2CCC1C1CCC2N1CC=C)c1ccc(cc1)C(=O)N1CCCCC1 |TLB:16:17:9:12.11,15:14:9:12.11,8:9:18:16.15,THB:12:13:18:16.15,11:10:18:16.15,19:18:9:12.11|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C=C[C@H]2NC(=O)\C=C\c1ccccc1)ccc3O |r,c:19,THB:10:9:6.4.5:14|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C=C[C@H]2NC(=O)\C=C\c1cccc(c1)[N+]([O-])=O)ccc3OC |r,c:19,THB:10:9:6.4.5:14|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C=C[C@H]2NC(=O)\C=C\c1ccc(Cl)cc1)ccc3OC |r,c:19,THB:10:9:6.4.5:14|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C=C[C@H]2NC(=O)\C=C\c1ccccc1)ccc3OC |r,c:19,THB:10:9:6.4.5:14|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C=C[C@H]2NC(=O)\C=C\c1ccc(OC)cc1)ccc3O |r,c:19,THB:10:9:6.4.5:14|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C=C[C@H]2NC(=O)\C=C\c1ccc(OC)cc1)ccc3OC |r,c:19,THB:10:9:6.4.5:14|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C=C[C@H]2NC(=O)\C=C\c1ccc(cc1)C(F)(F)F)ccc3O |r,c:19,THB:10:9:6.4.5:14|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C=C[C@H]2NC(=O)\C=C\c1cccc(c1)[N+]([O-])=O)ccc3O |r,c:19,THB:10:9:6.4.5:14|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C=C[C@H]2NC(=O)\C=C\c1ccc(cc1)C(F)(F)F)ccc3OC |r,c:19,THB:10:9:6.4.5:14|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C=C[C@H]2NC(=O)\C=C\c1ccc(Cl)cc1)ccc3O |r,c:19,THB:10:9:6.4.5:14|
COc1ccsc1CNCC[C@]2(CCOC3(C2)CCCC3)c4ccccn4
C(C[C@]1(CCOC2(CCCC2)C1)c1ccccn1)NCc1cccs1 |r|
CCCCC\C=C/CC\C=C\C=C\C(=O)N1CCCCC1
CCCCCCCCC\C=C\C=C\C(=O)NCC(C)C
CCCCCCC\C=C\C=C\C(=O)NCC(C)C
O=C(\C=C\C=C\C=C\c1cccs1)N1CCCCC1
CC(C)CNC(=O)\C=C\C=C\C=C\c1cccs1
CCCCCCCCC\C=C\C=C\C(=O)N1CCCCC1
CC(C)CCNC(=O)\C=C\C=C\C=C\c1cccs1
COc1cc(\C=C\C=O)cc2[C@@H](COC(=O)CC(C)C)[C@@H](Oc12)c1ccc(O)c(OC)c1 |r|
O=C(\C=C\C=C\C=C\c1cccs1)N1CCCC=C1 |c:18|
CC#CC#CC#C\C=C\C1OC1C=C
CCCCC\C=C/CC\C=C\C=C\C(=O)NCC(C)C
CC(C)CC(=O)OC\C=C/CCNC(=O)\C=C\C=C\C=C\c1cccs1
[H][C@]12C[C@@H](C[C@](C1)([C@H](C)CN2CCCc1ccccc1)c1cccc(O)c1)NC
[H][C@@]12CCC[C@](C1)([C@H](C)CN2CCCc1ccccc1)c1cccc(O)c1
[H][C@]12C[C@@H](C[C@](C1)([C@H](C)CN2CCCc1ccccc1)c1cccc(O)c1)NCC
[H][C@]12C[C@@H](C[C@](C1)([C@H](C)CN2CCCc1ccccc1)c1cccc(O)c1)N(C)CC1CC1
[H][C@]12C[C@@H](C[C@](C1)([C@H](C)CN2CCCc1ccccc1)c1cccc(O)c1)N(C)C
[H][C@]12C[C@H](N)C[C@](C1)([C@H](C)CN2CCCc1ccccc1)c1cccc(O)c1
[H][C@]12C[C@@H](C[C@](C1)([C@H](C)CN2CCCc1ccccc1)c1cccc(O)c1)NCC1CC1
[H][C@]12C[C@@H](C[C@](C1)([C@H](C)CN2CCCc1ccccc1)c1cccc(O)c1)NCCC
[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc(NC)sc1C[C@@]23[H]
[H][C@]12Cc3ccc(OC)cc3[C@@]3(CCN1CC1CC1)Cc1nc(N)sc1C[C@@]23[H] |r,THB:15:14:27:10.3.2|
[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc(NC(C)=O)sc1C[C@@]23[H] |r,THB:14:13:29:9.3.2|
[H][C@]12Cc3ccc(OC)cc3[C@@]3(CCN1CC1CC1)Cc1nc(NC(C)=O)sc1C[C@@]23[H] |r,THB:15:14:30:10.3.2|
[H][C@]12Cc3ccc(OC)cc3[C@@]3(CCN1CC1CC1)Cc1nc(NC)sc1C[C@@]23[H] |r,THB:15:14:28:10.3.2|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)CNC(=O)c1ccccn1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)Cc1ccccn1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)CCc1ccccn1)ccc3O
[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC(F)F)Cc1nc4ccccc4cc1C[C@@]23O
[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CCCOC)Cc1nc4ccccc4cc1C[C@@]23O
[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CCOCC)Cc1nc4ccccc4cc1C[C@@]23O
[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1C[C@@H](C)O)Cc1nc4ccccc4cc1C[C@@]23O
[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CCC)Cc1nc4ccccc4cc1C[C@@]23O
[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CCCOCC)Cc1nc4ccccc4cc1C[C@@]23O
[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1C[C@@H]1CCCO1)Cc1nc4ccccc4cc1C[C@@]23O
[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1C[C@H](C)O)Cc1nc4ccccc4cc1C[C@@]23O
[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CCCCOC)Cc1nc4ccccc4cc1C[C@@]23O
[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC(F)(F)F)Cc1nc4ccccc4cc1C[C@@]23O
[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1Cc1ccoc1)Cc1nc4ccccc4cc1C[C@@]23O
[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CCOC)Cc1nc4ccccc4cc1C[C@@]23O
[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CCO)Cc1nc4ccccc4cc1C[C@@]23O
[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CCF)Cc1nc4ccccc4cc1C[C@@]23O
[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1(O)CC1)Cc1nc4ccccc4cc1C[C@@]23O
[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1C[C@H]1CCCO1)Cc1nc4ccccc4cc1C[C@@]23O
[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1Cc1ccco1)Cc1nc4ccccc4cc1C[C@@]23O
[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC)Cc1nc4ccccc4cc1C[C@@]23O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(C\C=C\Cc2ccccc2)CC1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCCc2ccccc12 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(C\C=C/Cc2ccccc2)CC1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCCc2cccc3ccccc23)CC1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC(Cc2ccccc2)CC1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCC(c2ccccc2)c2ccccc2)CC1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(C\C=C\c2cccc3ccccc23)CC1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCCc2ccccc2)CC1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC(CCCc2ccccc2)CC1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC(Cc2ccccc2)c2ccccc12 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCCCc2ccccc2)CC1 |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCCCCc2ccccc2)CC1 |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](O[C@@H](C)OCC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](O[C@@H](CBr)OCC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@]1(CCCCO1)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@@]3([H])C(=O)O[C@@H](C[C@]3(C)[C@@]2([H])C1=O)c1ccoc1 |r|
[H][C@]1(CCCO1)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@@]3([H])C(=O)O[C@@H](C[C@]3(C)[C@@]2([H])C1=O)c1ccoc1 |r|
[H][C@@]1(CCCO1)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@@]3([H])C(=O)O[C@@H](C[C@]3(C)[C@@]2([H])C1=O)c1ccoc1 |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](O[C@H](CBr)OCC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)NCC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OCOC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)C(=O)N1CCCCC1)C(=O)OC |r|
[H][C@@]1(CCCCO1)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@@]3([H])C(=O)O[C@@H](C[C@]3(C)[C@@]2([H])C1=O)c1ccoc1 |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](O[C@H](C)OCC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)OCC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
COC(=O)[C@@H]1C[C@H](OC=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
CC(=O)N[C@H](Cc1c[nH]c2c(Br)cccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
CC(=O)N[C@H](Cc1c(C)[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Oc1ccc(C[C@@H]2NC(=O)CNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CNC2=O)cc1 |r|
CC(=O)N[C@H](Cc1c[nH]c2ccc(cc12)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
CC(=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
CC(=O)N[C@H](Cc1c(C)[nH]c2c(Br)cccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
CC(=O)N[C@H](Cc1c[nH]c2ccc(C)cc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
CCCCC(NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(I)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
[#6]-[#8]-c1cc(-[#8]-[#6])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(\[#6]=[#6]\c2ccc(-[#8])c(-[#8])c2-[#6]\[#6]=[#6](\[#6])-[#6])c1
CC(C)NC[C@@H](COc1cccc2c1cccc2)O
CB1Nc2cccc(OCC(O)CN(C)C)c2C=C1 |c:18|
CB1Nc2c(OCC(O)CN(C)C)cccc2C=C1 |c:18|
CCC(=O)N(CC1CCCCN1[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)c1ccccc1 |r|
CCC(=O)N(CC1CCCCN1Cc1ccc2[C@H](N)CCCc2c1)c1ccc(F)c(F)c1 |r|
CCC(=O)N(CC1CCCCN1Cc1ccc2[C@@H](CCCc2c1)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)c1ccccc1 |r|
CCC(=O)N(CC1CCCCN1Cc1ccc2[C@H](N)CCCc2c1)c1ccccc1 |r|
CCC(=O)N(CC1CCCCN1CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)c1ccccc1 |r|
CCC(=O)N(CC1CCCCN1[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)c1ccccc1 |r|
CCC(=O)N(CC1CCCCN1Cc1ccc2[C@@H](CCCc2c1)N(CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)c1ccccc1 |r|
CCC(=O)N(CC1CCCCN1Cc1ccc2[C@@H](CCCc2c1)N[C@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)c1ccccc1 |r|
[H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
[H][C@@]12CCN[C@]1(C)CN(c1ccccc1)c1ccccc21 |r|
CC[C@H]1c2cc(OC)ccc2CC[C@@]1(C)N |r|
CC[C@H]1c2ccccc2N(C[C@@]1(C)N)c1ccccc1 |r|
CC[C@H]1c2cc(C)ccc2OC[C@@]1(C)N |r|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)Nc1ccc4cc[nH]c4c1)=C2O)ccc3O |r,c:38,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)NCc1ccccc1)=C2O)ccc3O |r,c:35,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(C)=O)=C2O)ccc3O |r,c:27,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)CC)=C2O)ccc3O |r,c:28,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c(C)n[nH]c21)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)NC(C)C)=C2O)ccc3O |r,c:30,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)Nc1ccccc1)=C2O)ccc3O |r,c:34,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)NC(C)(C)C(=O)NS(C)(=O)=O)=C2O)ccc3O |r,c:37,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)N[C@H](C)CO)=C2O)ccc3O |r,c:31,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)NC(C)(C)c1nc(no1)-c1ccccc1)=C2O)ccc3O |r,c:43|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)Nc1ccc(cc1)C#N)=C2O)ccc3O |r,c:36,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2c(Cl)c(ccc12)C(O)=O)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)N1CCCC1)=C2O)ccc3O |r,c:32,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)Nc1ccccn1)=C2O)ccc3O |r,c:34,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2cc(ccc12)C(O)=O)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c(C)nc(N)nc21)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)NC(C)(C)C(O)=O)=C2O)ccc3O |r,c:33,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)NC(C)(C)c1nc(C)no1)=C2O)ccc3O |r,c:37,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)NC(C)(C)C(=O)OC)=C2O)ccc3O |r,c:34,THB:10:9:17:4.5.6|
COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1
COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1ccc(NCCN(C)C)cc1)ccc3OC |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc(C)cc1)ccc3OC |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1ccc(NCc2ccccc2)cc1)ccc3OC |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1ccc(NC)cc1)ccc3OC |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1ccc(NCCC)cc1)ccc3OC |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1ccc(NCC2CC2)cc1)ccc3OC |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1ccc(NCCCN(C)C)cc1)ccc3OC |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1ccc(NCC(N)=O)cc1)ccc3OC |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1ccc(NCCC(=O)OCC)cc1)ccc3OC |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1ccc(cc1)N1CCCCC1)ccc3OC |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1ccc(cc1)N1CCN(CC2CC2)CC1)ccc3OC |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1ccc(cc1)N1CCN(CC1)C(=O)c1ccccc1)ccc3OC |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1ccc(NC=O)cc1)ccc3OC |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1ccc(NC(C)=O)cc1)ccc3OC |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1ccc(NC(=O)Cc2ccccc2)cc1)ccc3OC |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1ccc(cc1)\N=N\c1ccc(O)cc1)ccc3OC |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1ccc(N)cc1)ccc3OC |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1ccc(NC(=O)c2ccccc2)cc1)ccc3OC |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1ccc(cc1)N1CCNCC1)ccc3OC |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1ccc(NCC)cc1)ccc3OC |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1ccc(cc1)N1CCCC1)ccc3OC |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1ccc(cc1)N1CCN(CC1)C(C)=O)ccc3OC |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ccc2ccoc2c1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cccc2sccc12)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cc2ccccc2o1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1coc2ccccc12)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1csc2ccccc12)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cccc2occc12)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ccc2sccc2c1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ccc2ccsc2c1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cc2ccccc2o1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cc2ccccc2s1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1csc2ccccc12)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1ccc2occc2c1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1ccc2sccc2c1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1ccc2ccsc2c1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cccc2ccsc12)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cccc2cc[nH]c12)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cccc2sccc12)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1coc2ccccc12)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cc2ccccc2s1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ccc2occc2c1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cccc2ccoc12)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cccc2occc12)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1ccc2ccoc2c1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cccc2ccsc12)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cccc2ccoc12)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ccncc1C#N)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ccncc1C1CCCCCC1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ccncc1F)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ccncc1C(F)(F)F)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ccncc1C(O)=O)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ccncc1CC)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ccncc1C1CCCC1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ccncc1C1CCCCC1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ccncc1CC(C)C)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ccncc1[N+]([O-])=O)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ccncc1C(=O)OC)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ccncc1-c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C12CC3CC(CC(C3)C1)C2)C(N)=O |r,TLB:70:72:79:75.76.77,81:72:79:75.76.77,THB:81:76:73.72.80:79,77:76:73:80.78.79,77:78:73:75.81.76|
COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1ccc(cc1)C(N)=N
Cc1ccc(c(c1)Oc2ccc3c(c2)ccnc3N)NS(=O)(=O)c4ccccc4OC
[H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@@H](OC)c1ccccc1)[C@H]2C |r,THB:8:9:25:14.13.12,15:14:25:3.9.2|
[H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@H](OC)c1ccccc1)[C@H]2C |r,THB:8:9:25:14.13.12,15:14:25:3.9.2|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(NC(=N)NCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CCCCC[N+]4=C(\C=C\C=C5\N(C)c6ccc(cc6C5(C)C)S(O)(=O)=O)C(C)(C)c5cc(ccc45)S([O-])(=O)=O)cc12)ccc3O |r,c:63,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(NC(=N)NCCCNC(=O)CCCCC[N+]4=C(\C=C\C=C5\N(C)c6ccc(cc6C5(C)C)S(O)(=O)=O)C(C)(C)c5cc(ccc45)S([O-])(=O)=O)cc12)ccc3O |r,c:47,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(NC(=N)NCCCNC(=O)CCCCC[N+]4=C(\C=C\C=C\C=C5\N(C)c6ccc(cc6C5(C)C)S(O)(=O)=O)C(C)(C)c5cc(ccc45)S([O-])(=O)=O)cc12)ccc3O |r,c:47,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(NC(=N)NCCCNC(=O)CNC(=O)CNC(=O)CCCCC[N+]4=C(\C=C\C=C\C=C5\N(C)c6ccc(cc6C5(C)C)S(O)(=O)=O)C(C)(C)c5cc(ccc45)S([O-])(=O)=O)cc12)ccc3O |r,c:55,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(NC(=N)NCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CCCCC[N+]4=C(\C=C\C=C\C=C5\N(C)c6ccc(cc6C5(C)C)S(O)(=O)=O)C(C)(C)c5cc(ccc45)S([O-])(=O)=O)cc12)ccc3O |r,c:63,THB:10:9:17:4.5.6|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CN2CC[C@@H](O)C2)c2ccccc12 |r,wD:6.9,3.2,22.24,(23.74,-8.52,;22.92,-7.21,;23.66,-5.85,;21.38,-7.25,;20.57,-5.95,;19.03,-5.99,;18.3,-7.34,;19.12,-8.66,;20.65,-8.61,;16.76,-7.4,;16.04,-8.75,;14.5,-8.81,;13.68,-7.5,;14.4,-6.14,;15.95,-6.09,;12.15,-7.56,;11.2,-6.34,;9.75,-6.87,;8.48,-6.01,;7.1,-6.68,;5.74,-5.97,;4.64,-7.04,;5.31,-8.41,;4.59,-9.77,;6.83,-8.2,;9.81,-8.41,;8.71,-9.47,;9.08,-10.97,;10.56,-11.38,;11.66,-10.31,;11.29,-8.84,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(C(N)=O)c2ccccc12 |r,wD:6.9,3.2,(24.31,-8.5,;23.5,-7.18,;24.23,-5.83,;21.96,-7.23,;21.15,-5.92,;19.6,-5.96,;18.88,-7.32,;19.69,-8.63,;21.22,-8.59,;17.34,-7.38,;16.61,-8.73,;15.08,-8.78,;14.26,-7.48,;14.98,-6.11,;16.53,-6.06,;12.72,-7.53,;11.78,-6.31,;10.33,-6.84,;9.06,-5.98,;7.68,-6.66,;9.16,-4.45,;10.39,-8.38,;9.29,-9.45,;9.66,-10.94,;11.14,-11.36,;12.24,-10.29,;11.87,-8.81,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1ccc2ccccc12 |r,wD:6.9,3.2,(20.66,-19.76,;21.96,-18.93,;23.33,-19.65,;21.9,-17.39,;23.2,-16.56,;23.13,-15.02,;21.77,-14.31,;20.47,-15.14,;20.53,-16.67,;21.69,-12.77,;20.33,-12.06,;20.26,-10.53,;21.56,-9.69,;22.93,-10.4,;23,-11.94,;21.48,-8.16,;22.69,-7.2,;22.14,-5.76,;20.61,-5.84,;19.52,-4.75,;18.04,-5.14,;17.64,-6.63,;18.72,-7.71,;20.19,-7.32,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)N1CCc2ccccc12 |r,wD:6.9,3.2,(8.81,-19.41,;10.12,-18.58,;11.48,-19.3,;10.05,-17.04,;11.35,-16.22,;11.29,-14.67,;9.93,-13.96,;8.62,-14.79,;8.69,-16.32,;9.85,-12.42,;8.49,-11.71,;8.42,-10.18,;9.71,-9.35,;11.08,-10.05,;11.15,-11.6,;9.64,-7.81,;10.84,-6.85,;10.3,-5.41,;8.76,-5.49,;7.68,-4.4,;6.19,-4.79,;5.79,-6.28,;6.88,-7.36,;8.35,-6.97,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CO)c2ccccc12 |r,wD:6.9,3.2,(63.96,-12.85,;63.15,-11.53,;63.89,-10.17,;61.61,-11.57,;60.8,-10.27,;59.26,-10.31,;58.53,-11.66,;59.34,-12.98,;60.88,-12.93,;56.99,-11.72,;56.27,-13.07,;54.73,-13.13,;53.91,-11.82,;54.63,-10.46,;56.18,-10.41,;52.38,-11.88,;51.43,-10.66,;49.98,-11.19,;48.71,-10.33,;48.82,-8.8,;50.04,-12.73,;48.94,-13.79,;49.31,-15.29,;50.79,-15.7,;51.89,-14.63,;51.52,-13.16,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CN(C)C)c2ccccc12 |r,wD:6.9,3.2,(22.93,-34.28,;22.12,-32.96,;22.85,-31.6,;20.58,-33,;19.77,-31.7,;18.22,-31.74,;17.5,-33.09,;18.31,-34.41,;19.85,-34.36,;15.96,-33.15,;15.23,-34.51,;13.7,-34.56,;12.88,-33.25,;13.6,-31.89,;15.15,-31.84,;11.35,-33.31,;10.4,-32.09,;8.95,-32.62,;7.68,-31.76,;7.78,-30.23,;6.51,-29.38,;9.16,-29.56,;9.01,-34.16,;7.91,-35.23,;8.28,-36.72,;9.76,-37.13,;10.86,-36.06,;10.49,-34.59,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CN2CCCC2)c2ccccc12 |r,wD:6.9,3.2,(24.25,-47.25,;23.44,-45.94,;24.17,-44.58,;21.89,-45.98,;21.09,-44.68,;19.54,-44.72,;18.81,-46.07,;19.63,-47.39,;21.16,-47.34,;17.27,-46.13,;16.55,-47.48,;15.01,-47.53,;14.19,-46.23,;14.92,-44.87,;16.46,-44.82,;12.66,-46.28,;11.71,-45.07,;10.26,-45.59,;8.99,-44.74,;7.61,-45.41,;6.25,-44.7,;5.15,-45.76,;5.82,-47.14,;7.34,-46.93,;10.32,-47.13,;9.22,-48.2,;9.59,-49.7,;11.08,-50.11,;12.17,-49.04,;11.8,-47.56,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CN2CCC(N)CC2)c2ccccc12 |r,wD:6.9,3.2,(50.68,-46.35,;49.87,-45.03,;50.61,-43.68,;48.33,-45.08,;47.52,-43.77,;45.97,-43.81,;45.24,-45.17,;46.06,-46.48,;47.59,-46.44,;43.7,-45.23,;42.98,-46.58,;41.44,-46.63,;40.62,-45.33,;41.34,-43.96,;42.89,-43.91,;39.09,-45.38,;38.14,-44.16,;36.69,-44.69,;35.42,-43.83,;34.04,-44.51,;32.77,-43.65,;31.4,-44.32,;31.28,-45.85,;29.9,-46.52,;32.56,-46.71,;33.94,-46.04,;36.75,-46.23,;35.65,-47.3,;36.02,-48.79,;37.5,-49.21,;38.6,-48.14,;38.23,-46.66,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CN2CC(O)C2)c2ccccc12 |r,wD:6.9,3.2,(51.84,-7.48,;51.03,-6.16,;51.76,-4.81,;49.48,-6.21,;48.68,-4.9,;47.13,-4.94,;46.4,-6.3,;47.22,-7.61,;48.75,-7.57,;44.87,-6.36,;44.14,-7.71,;42.6,-7.76,;41.78,-6.46,;42.51,-5.09,;44.05,-5.04,;40.25,-6.51,;39.3,-5.29,;37.86,-5.82,;36.58,-4.96,;35.2,-5.64,;33.75,-5.14,;33.25,-6.59,;31.87,-7.26,;34.7,-7.09,;37.92,-7.36,;36.81,-8.43,;37.18,-9.92,;38.67,-10.34,;39.77,-9.27,;39.39,-7.79,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CNC(N)=S)c2ccccc12 |r,wD:6.9,3.2,(52.76,-21.76,;51.95,-20.45,;52.68,-19.09,;50.41,-20.49,;49.6,-19.19,;48.05,-19.23,;47.33,-20.58,;48.14,-21.89,;49.67,-21.85,;45.79,-20.64,;45.06,-21.99,;43.53,-22.04,;42.71,-20.74,;43.43,-19.38,;44.98,-19.33,;41.17,-20.79,;40.23,-19.58,;38.78,-20.1,;37.51,-19.25,;36.13,-19.92,;34.86,-19.07,;33.48,-19.74,;34.96,-17.54,;38.84,-21.64,;37.73,-22.71,;38.11,-24.2,;39.59,-24.62,;40.69,-23.55,;40.32,-22.07,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CCNC(N)=S)c2ccccc12 |r,wD:6.9,3.2,(77.5,-21.25,;76.69,-19.93,;77.42,-18.58,;75.15,-19.98,;74.34,-18.67,;72.79,-18.71,;72.06,-20.07,;72.88,-21.38,;74.41,-21.34,;70.53,-20.13,;69.8,-21.48,;68.27,-21.53,;67.45,-20.23,;68.17,-18.86,;69.71,-18.81,;65.91,-20.28,;64.97,-19.06,;63.52,-19.59,;62.24,-18.73,;60.87,-19.41,;59.59,-18.55,;58.21,-19.23,;56.94,-18.37,;58.11,-20.76,;63.58,-21.13,;62.47,-22.2,;62.84,-23.69,;64.33,-24.11,;65.43,-23.04,;65.06,-21.56,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CNC(=O)CCCCCN)c2ccccc12 |r,wD:6.9,3.2,(30.71,-51.51,;29.9,-50.19,;30.64,-48.83,;28.36,-50.23,;27.55,-48.92,;26,-48.97,;25.27,-50.32,;26.09,-51.64,;27.62,-51.59,;23.73,-50.38,;23,-51.74,;21.47,-51.79,;20.64,-50.48,;21.37,-49.12,;22.92,-49.07,;19.11,-50.54,;18.16,-49.32,;16.71,-49.84,;15.44,-48.99,;14.06,-49.66,;12.78,-48.81,;12.89,-47.27,;11.4,-49.48,;10.13,-48.62,;8.75,-49.3,;7.47,-48.44,;6.09,-49.12,;4.82,-48.26,;16.77,-51.39,;15.66,-52.46,;16.04,-53.95,;17.52,-54.37,;18.62,-53.29,;18.25,-51.82,)|
CCNCC(=O)NCc1cn(C2CCN(CC2)[C@@H]2CC[C@@H](CC2)C(C)C)c2ccccc12 |r,wD:17.17,20.24,(39.61,-48.97,;40.88,-49.83,;42.26,-49.15,;43.53,-50.01,;44.91,-49.33,;45.02,-47.8,;46.19,-50.19,;47.56,-49.51,;48.84,-50.37,;50.29,-49.84,;51.23,-51.06,;52.77,-51,;53.59,-52.31,;55.12,-52.26,;55.85,-50.9,;55.04,-49.59,;53.49,-49.64,;57.39,-50.84,;58.11,-49.49,;59.66,-49.45,;60.47,-50.76,;59.74,-52.11,;58.2,-52.16,;62.01,-50.71,;62.82,-52.03,;62.75,-49.36,;50.38,-52.34,;50.75,-53.81,;49.65,-54.89,;48.16,-54.47,;47.79,-52.98,;48.9,-51.91,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(\C=N\O)c2ccccc12 |r,wD:6.9,3.2,(48.18,-8.94,;47.37,-7.63,;48.1,-6.27,;45.82,-7.67,;45.02,-6.36,;43.47,-6.41,;42.74,-7.76,;43.56,-9.07,;45.09,-9.03,;41.21,-7.82,;40.48,-9.17,;38.95,-9.22,;38.13,-7.92,;38.85,-6.55,;40.39,-6.51,;36.59,-7.97,;35.65,-6.76,;34.2,-7.28,;32.93,-6.43,;32.98,-4.9,;31.76,-4.04,;34.26,-8.82,;33.15,-9.89,;33.52,-11.38,;35.01,-11.8,;36.11,-10.73,;35.74,-9.25,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CN)c2ccccc12 |r,wD:6.9,3.2,(34,-19.87,;35.3,-19.05,;36.67,-19.77,;35.24,-17.51,;36.54,-16.68,;36.48,-15.14,;35.12,-14.43,;33.81,-15.26,;33.88,-16.79,;35.04,-12.89,;33.68,-12.18,;33.61,-10.65,;34.9,-9.81,;36.27,-10.52,;36.34,-12.06,;34.83,-8.28,;36.03,-7.32,;35.49,-5.88,;36.33,-4.59,;37.86,-4.68,;33.95,-5.95,;32.87,-4.86,;31.38,-5.25,;30.98,-6.74,;32.07,-7.83,;33.54,-7.44,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CCN)c2ccccc12
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CNCCO)c2ccccc12 |r,wD:6.9,3.2,(27.23,-22.87,;26.41,-21.55,;27.15,-20.19,;24.87,-21.59,;24.06,-20.29,;22.52,-20.33,;21.79,-21.68,;22.61,-23,;24.14,-22.95,;20.25,-21.74,;19.53,-23.1,;17.99,-23.15,;17.17,-21.84,;17.9,-20.48,;19.44,-20.43,;15.64,-21.9,;14.69,-20.68,;13.25,-21.21,;11.97,-20.35,;10.59,-21.03,;9.32,-20.17,;7.94,-20.84,;6.67,-19.99,;13.3,-22.75,;12.2,-23.82,;12.57,-25.31,;14.06,-25.72,;15.16,-24.65,;14.78,-23.18,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CNC(=O)[C@@H](N)CCCNC(N)=N)c2ccccc12 |r,wU:22.24,wD:6.9,3.2,(63.55,-38.33,;62.74,-37.01,;63.48,-35.65,;61.19,-37.05,;60.38,-35.75,;58.84,-35.79,;58.11,-37.14,;58.92,-38.46,;60.46,-38.41,;56.57,-37.2,;55.84,-38.56,;54.3,-38.61,;53.48,-37.3,;54.2,-35.94,;55.75,-35.89,;51.94,-37.36,;51,-36.14,;49.55,-36.67,;48.27,-35.81,;46.89,-36.48,;45.62,-35.63,;45.72,-34.09,;44.24,-36.3,;44.13,-37.84,;42.96,-35.45,;41.58,-36.12,;40.3,-35.26,;38.92,-35.94,;37.65,-35.08,;36.27,-35.76,;37.75,-33.55,;49.61,-38.21,;48.5,-39.28,;48.87,-40.77,;50.36,-41.19,;51.46,-40.12,;51.09,-38.64,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CCCN)c2ccccc12
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CCCNC(N)=S)c2ccccc12 |r,wD:6.9,3.2,(27.01,-36.98,;26.19,-35.66,;26.93,-34.3,;24.65,-35.71,;23.85,-34.4,;22.3,-34.44,;21.57,-35.79,;22.39,-37.11,;23.92,-37.06,;20.03,-35.85,;19.31,-37.21,;17.77,-37.26,;16.95,-35.95,;17.67,-34.59,;19.22,-34.54,;15.42,-36.01,;14.47,-34.79,;13.02,-35.32,;11.75,-34.46,;10.37,-35.14,;9.1,-34.28,;7.72,-34.96,;6.45,-34.1,;5.07,-34.77,;6.55,-32.57,;13.08,-36.86,;11.98,-37.93,;12.35,-39.42,;13.83,-39.84,;14.93,-38.76,;14.56,-37.29,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CN2CCC(O)CC2)c2ccccc12 |r,wD:6.9,3.2,(75.58,-45.79,;74.76,-44.48,;75.5,-43.12,;73.22,-44.52,;72.41,-43.21,;70.87,-43.26,;70.14,-44.61,;70.95,-45.93,;72.49,-45.88,;68.6,-44.67,;67.87,-46.02,;66.34,-46.07,;65.52,-44.77,;66.24,-43.41,;67.79,-43.36,;63.98,-44.82,;63.04,-43.61,;61.59,-44.13,;60.32,-43.28,;58.94,-43.95,;57.67,-43.09,;56.29,-43.76,;56.18,-45.29,;54.8,-45.96,;57.45,-46.15,;58.84,-45.48,;61.65,-45.67,;60.54,-46.74,;60.91,-48.24,;62.4,-48.65,;63.5,-47.58,;63.13,-46.1,)|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC\C2=N\OCC(=O)NCCCOCCOCCOCCCN)ccc3OC |r,THB:10:9:14:4.5.6|
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)NCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 |r|
CCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC\C2=N\OCC(=O)NCCNC(=O)CCCCCn1cc(C(=O)c2cccc4ccccc24)c2ccccc12)ccc3OC |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC\C2=N\OCC(=O)NCCCCCCNC(=O)CCCCCn1cc(C(=O)c2cccc4ccccc24)c2ccccc12)ccc3OC |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC\C2=N\OCC(=O)NCCCOCCOCCOCCCNC(=O)CCCCCn1cc(C(=O)c2cccc4ccccc24)c2ccccc12)ccc3OC |r,THB:10:9:14:4.5.6|
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 |r|
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCC(=O)NCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 |r|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC\C2=N\OCC(=O)NCCN)ccc3OC |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC\C2=N\OCC(=O)NCCCCCCN)ccc3OC |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC\C2=N\OCC(O)=O)ccc3OC |r,THB:10:9:14:4.5.6|
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 |r|
FC(F)Oc1ccc(NC(=O)NC2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cn1
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)\C=C(/F)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=S)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C\C=C(/F)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)\C=C\CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r|
[H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
[H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2Cc1cn(CCF)nn1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
[H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
[H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2CC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
[H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2C)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
[H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2C(=O)OC(C)(C)C)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
[H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2CCC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
[H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2C(=O)Cn1cc(CCCF)nn1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
[H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2CCCC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
[H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2C(=O)COCCF)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
CCOc1ccc(CN(C)Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
CCOc1ccc(cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C1
CCOc1ccc(CNCc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
CCOc1ccc(CN2Cc3ccccc3C2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
CCOc1ccc(CN2CC3CC3C2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
CCOc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
CCOc1ccc(CN2CCCCC2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
CCOc1ccc(CN2CCc3ccccc3C2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
CCOc1ccc(CN2CCOCC2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
CCOc1ccc(CN2CCCC2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
CCOc1ccc(cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCCC1
Cc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
CCCOc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1cccc(Cc2ccccc2)c1
CC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1cccc(Cc2ccccc2)c1
CC(=O)Nc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
CCC(=O)Nc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1cc(Cc2ccccc2)ccc1OC(F)(F)F
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1cc(Cc2ccccc2)ccc1OCC1CC1
COc1ccc(Cc2ccccc2)cc1[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1cc(Cc2ccccc2)ccc1O
COc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1cc(Cc2ccccc2)ccc1Cl
C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1cccc(Cc2ccccc2)c1
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1cc(Cc2ccccc2)ccc1OCc1ccccc1
CCNc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
C(N[C@H]1CC[C@@]2(CC1)OC=Cc1ccccc21)C1CCCCC1 |r,wU:5.8,wD:2.1,c:10,(8.43,-8.03,;9.76,-8.8,;11.1,-8.03,;12.44,-8.8,;13.79,-8.02,;13.78,-6.48,;12.44,-5.71,;11.1,-6.48,;13.78,-4.94,;15.11,-4.16,;16.43,-4.94,;16.43,-6.48,;17.75,-7.25,;17.75,-8.78,;16.42,-9.54,;15.13,-8.77,;15.11,-7.24,;7.09,-8.8,;5.76,-8.03,;4.43,-8.79,;4.42,-10.34,;5.76,-11.11,;7.09,-10.35,)|
COC1O[C@]2(CC[C@@H](CC2)N(C)CC2CCCCC2)c2ccccc12 |r,wU:4.3,wD:7.10,(48,-45.42,;46.5,-45.75,;46.03,-47.21,;46.94,-48.45,;46.04,-49.7,;47.53,-50.1,;47.92,-51.59,;46.83,-52.68,;45.34,-52.27,;44.95,-50.79,;47.22,-54.17,;46.12,-55.25,;48.7,-54.58,;49.79,-53.49,;51.28,-53.91,;52.37,-52.84,;51.98,-51.35,;50.5,-50.94,;49.4,-52.02,;44.57,-49.24,;43.23,-50.02,;41.9,-49.25,;41.9,-47.7,;43.23,-46.93,;44.57,-47.7,)|
C(N[C@H]1CC[C@@]2(CC1)OCCc1ccccc21)c1ccccc1 |r,wU:5.8,wD:2.1,(10.41,-42.48,;9.08,-41.71,;9.09,-40.17,;10.43,-39.4,;10.44,-37.86,;9.11,-37.09,;7.77,-37.85,;7.76,-39.38,;10.45,-36.32,;10.45,-34.78,;9.11,-34,;7.78,-34.77,;6.44,-34.01,;5.12,-34.78,;5.11,-36.32,;6.45,-37.1,;7.78,-36.32,;11.75,-41.72,;13.07,-42.51,;14.41,-41.75,;14.42,-40.2,;13.08,-39.43,;11.75,-40.19,)|
CCOC1Cc2ccccc2[C@@]2(CC[C@@H](CC2)NCC2CCCCC2)O1 |r,wU:11.27,wD:14.18,(17.1,-15.49,;17.1,-17.03,;15.76,-17.8,;15.76,-19.33,;17.09,-20.11,;17.09,-21.65,;18.41,-22.42,;18.41,-23.95,;17.07,-24.71,;15.78,-23.94,;15.76,-22.41,;14.43,-21.65,;14.44,-23.19,;13.09,-23.97,;11.75,-23.2,;11.75,-21.65,;13.09,-20.88,;10.41,-23.97,;9.08,-23.2,;7.74,-23.97,;6.41,-23.2,;5.07,-23.97,;5.07,-25.51,;6.4,-26.28,;7.74,-25.52,;14.43,-20.11,)|
CCOC1Cc2ccccc2[C@]2(CC[C@@H](CC2)NCC2CCCCC2)O1 |r,wU:11.27,14.18,(35.12,-14.23,;35.12,-15.76,;33.79,-16.53,;33.78,-18.06,;35.11,-18.84,;35.11,-20.38,;36.43,-21.15,;36.43,-22.68,;35.1,-23.44,;33.8,-22.68,;33.79,-21.15,;32.45,-20.38,;31.11,-19.61,;29.78,-20.38,;29.77,-21.93,;31.12,-22.7,;32.46,-21.93,;28.44,-22.7,;27.1,-21.93,;25.76,-22.7,;24.43,-21.93,;23.1,-22.7,;23.09,-24.24,;24.43,-25.01,;25.76,-24.25,;32.45,-18.84,)|
COC1Cc2ccccc2[C@@]2(CC[C@@H](CC2)NCC2CCCCC2)O1 |r,wU:10.26,wD:13.17,(15.73,-32.02,;14.4,-32.79,;14.39,-34.32,;15.72,-35.1,;15.72,-36.64,;17.04,-37.41,;17.04,-38.94,;15.7,-39.7,;14.41,-38.93,;14.39,-37.4,;13.06,-36.64,;13.07,-38.18,;11.73,-38.96,;10.39,-38.19,;10.39,-36.64,;11.72,-35.87,;9.05,-38.96,;7.71,-38.19,;6.38,-38.96,;5.05,-38.19,;3.71,-38.95,;3.7,-40.5,;5.04,-41.27,;6.38,-40.51,;13.06,-35.1,)|
COC1Cc2ccccc2[C@@]2(CC[C@@H](CC2)N(C)CC2CCCCC2)O1 |r,wU:10.27,wD:13.17,(56.51,-30.54,;55.18,-31.31,;55.18,-32.84,;56.5,-33.62,;56.5,-35.16,;57.82,-35.93,;57.82,-37.45,;56.49,-38.22,;55.2,-37.45,;55.18,-35.92,;53.85,-35.16,;53.85,-36.7,;52.51,-37.48,;51.17,-36.7,;51.17,-35.16,;52.5,-34.39,;49.83,-37.48,;49.83,-39.02,;48.5,-36.7,;47.16,-37.48,;45.83,-36.7,;44.49,-37.47,;44.49,-39.02,;45.82,-39.79,;47.16,-39.02,;53.85,-33.62,)|
COC1O[C@]2(CC[C@@H](CC2)NCC2CCCCC2)c2ccccc12 |r,wU:4.3,wD:7.10,(10.85,-45.5,;9.34,-45.82,;8.88,-47.29,;9.79,-48.53,;8.89,-49.78,;10.38,-50.18,;10.77,-51.67,;9.67,-52.76,;8.19,-52.35,;7.79,-50.87,;10.06,-54.25,;11.55,-54.65,;12.64,-53.57,;14.12,-53.99,;15.22,-52.91,;14.83,-51.42,;13.35,-51.01,;12.25,-52.09,;7.42,-49.32,;6.08,-50.1,;4.75,-49.33,;4.75,-47.78,;6.08,-47.01,;7.41,-47.78,)|
C(N[C@H]1CC[C@@]2(CC1)OCCc1ccccc21)C1CCCCC1 |r,wU:5.8,wD:2.1,(10.45,-11.59,;9.12,-10.81,;9.14,-9.27,;10.47,-8.5,;10.49,-6.96,;9.16,-6.19,;7.82,-6.95,;7.81,-8.49,;10.51,-5.43,;10.52,-3.87,;9.17,-3.09,;7.83,-3.87,;6.49,-3.1,;5.16,-3.87,;5.16,-5.42,;6.5,-6.19,;7.83,-5.42,;11.79,-10.83,;13.11,-11.61,;14.45,-10.86,;14.47,-9.32,;13.14,-8.53,;11.79,-9.29,)|
CN(CC1CCCCC1)[C@H]1CC[C@@]2(CC1)OCCc1ccccc21 |r,wU:12.16,wD:9.9,(37,-10.98,;38.34,-10.22,;39.67,-11,;41.01,-10.24,;42.33,-11.03,;43.67,-10.28,;43.68,-8.73,;42.36,-7.95,;41.01,-8.71,;38.35,-8.68,;39.69,-7.92,;39.7,-6.38,;38.37,-5.61,;37.04,-6.37,;37.03,-7.9,;39.73,-4.84,;39.73,-3.29,;38.39,-2.5,;37.05,-3.28,;35.71,-2.52,;34.38,-3.29,;34.38,-4.84,;35.71,-5.61,;37.04,-4.84,)|
COC1Cc2ccccc2[C@@]2(CC[C@@H](CC2)N(C)Cc2ccccc2)O1 |r,wU:10.27,wD:13.17,(-1.47,-19.23,;-2.8,-20,;-2.81,-21.55,;-1.48,-22.32,;-1.48,-23.86,;-.17,-24.62,;-.17,-26.14,;-1.5,-26.91,;-2.81,-26.14,;-2.81,-24.62,;-4.14,-23.85,;-4.91,-25.2,;-6.63,-24.58,;-7.82,-25,;-7.05,-23.64,;-5.41,-24.27,;-7.83,-26.55,;-6.49,-27.32,;-9.17,-27.31,;-10.5,-26.53,;-10.49,-24.99,;-11.83,-24.21,;-13.17,-24.98,;-13.17,-26.53,;-11.84,-27.3,;-4.15,-22.31,)|
COC1Cc2ccccc2[C@]2(CC[C@@H](CC2)N(C)Cc2ccccc2)O1 |r,wU:10.27,13.17,(13.82,-18.64,;12.48,-19.41,;12.48,-20.95,;13.81,-21.73,;13.81,-23.27,;15.12,-24.03,;15.12,-25.55,;13.79,-26.32,;12.47,-25.55,;12.48,-24.03,;11.14,-23.26,;9.87,-23.68,;8.23,-23.05,;7.47,-24.41,;8.65,-23.99,;10.38,-24.6,;6.13,-23.64,;4.79,-24.41,;6.13,-22.09,;7.47,-21.32,;8.8,-22.1,;10.13,-21.32,;10.13,-19.77,;8.79,-19.01,;7.45,-19.78,;11.14,-21.73,)|
COC1O[C@@]2(CC[C@@H](CC2)NCc2ccccc2)c2ccccc12 |r,wU:4.3,7.10,(73.08,-17.88,;71.58,-18.21,;71.11,-19.67,;72.02,-20.92,;71.12,-22.16,;70.02,-23.25,;70.42,-24.74,;71.9,-25.14,;73,-24.06,;72.61,-22.56,;72.3,-26.63,;73.78,-27.04,;74.87,-25.96,;76.36,-26.37,;77.45,-25.28,;77.06,-23.79,;75.57,-23.39,;74.48,-24.48,;69.65,-21.7,;68.31,-22.48,;66.98,-21.71,;66.98,-20.17,;68.31,-19.4,;69.65,-20.16,)|
COC1Cc2ccccc2[C@]2(CC[C@@H](CC2)N(C)CC2CCCCC2)O1 |r,wU:10.27,13.17,(74.64,-30.02,;73.31,-30.78,;73.31,-32.32,;74.63,-33.09,;74.63,-34.63,;75.95,-35.4,;75.95,-36.93,;74.62,-37.69,;73.33,-36.93,;73.31,-35.4,;71.98,-34.63,;70.63,-33.87,;69.3,-34.63,;69.3,-36.18,;70.64,-36.95,;71.99,-36.18,;67.96,-36.95,;67.96,-38.49,;66.63,-36.18,;65.29,-36.95,;63.96,-36.18,;62.62,-36.95,;62.62,-38.49,;63.95,-39.26,;65.29,-38.5,;71.98,-33.09,)|
COC1Cc2ccccc2[C@@]2(CC[C@@H](CC2)NCc2ccccc2)O1 |r,wU:10.26,wD:13.17,(24.78,6.63,;23.43,5.86,;23.43,4.32,;24.77,3.54,;24.76,2,;26.08,1.24,;26.08,-.29,;24.75,-1.06,;23.42,-.29,;23.43,1.24,;22.09,2,;21.33,.65,;19.6,1.28,;18.41,.86,;19.18,2.21,;20.82,1.59,;18.41,-.69,;19.75,-1.47,;19.74,-3.01,;18.4,-3.77,;18.39,-5.31,;19.72,-6.09,;21.06,-5.32,;21.07,-3.78,;22.09,3.54,)|
COC1O[C@@]2(CC[C@@H](CC2)NCC2CCCCC2)c2ccccc12 |r,wU:4.3,7.10,(28.22,-45.43,;26.71,-45.76,;26.25,-47.23,;27.16,-48.47,;26.26,-49.72,;25.16,-50.8,;25.55,-52.29,;27.04,-52.7,;28.14,-51.61,;27.75,-50.11,;27.43,-54.19,;28.92,-54.59,;30.01,-53.51,;31.49,-53.93,;32.58,-52.85,;32.2,-51.36,;30.72,-50.95,;29.61,-52.03,;24.79,-49.25,;23.45,-50.03,;22.12,-49.26,;22.12,-47.72,;23.45,-46.95,;24.78,-47.71,)|
C(N[C@H]1CC[C@]2(CC1)OC=Cc1ccccc21)C1CCCCC1 |r,wU:5.8,2.1,c:10,(26.45,-7.28,;27.78,-8.06,;29.12,-7.28,;29.12,-5.74,;30.45,-4.97,;31.8,-5.74,;31.8,-7.28,;30.46,-8.06,;31.8,-4.19,;33.13,-3.42,;34.45,-4.19,;34.45,-5.74,;35.77,-6.51,;35.77,-8.03,;34.44,-8.8,;33.15,-8.03,;33.13,-6.5,;25.11,-8.06,;23.78,-7.28,;22.45,-8.05,;22.44,-9.59,;23.77,-10.37,;25.11,-9.6,)|
CCOC1Cc2ccccc2[C@]2(CC[C@@H](CC2)N(C)CC2CCCCC2)O1 |r,wU:11.28,14.18,(75.11,-13.93,;75.11,-15.46,;73.78,-16.23,;73.77,-17.76,;75.1,-18.54,;75.1,-20.08,;76.42,-20.85,;76.42,-22.38,;75.09,-23.14,;73.79,-22.37,;73.77,-20.85,;72.44,-20.08,;71.1,-19.31,;69.77,-20.08,;69.76,-21.63,;71.11,-22.4,;72.45,-21.63,;68.43,-22.4,;68.43,-23.94,;67.09,-21.63,;65.75,-22.4,;64.42,-21.63,;63.09,-22.4,;63.08,-23.94,;64.42,-24.71,;65.75,-23.95,;72.44,-18.54,)|
COC1O[C@@]2(CC[C@@H](CC2)N(C)CC2CCCCC2)c2ccccc12 |r,wU:4.3,7.10,(63.79,-45.21,;62.29,-45.54,;61.82,-47,;62.73,-48.24,;61.83,-49.49,;60.74,-50.58,;61.13,-52.06,;62.62,-52.47,;63.71,-51.39,;63.32,-49.89,;63.01,-53.96,;61.92,-55.04,;64.49,-54.37,;65.59,-53.28,;67.07,-53.7,;68.16,-52.63,;67.78,-51.14,;66.29,-50.73,;65.19,-51.81,;60.37,-49.03,;59.03,-49.81,;57.69,-49.04,;57.7,-47.49,;59.02,-46.72,;60.36,-47.49,)|
CN(CC1CCCCC1)[C@H]1CC[C@]2(CC1)OCCc1ccccc21 |r,wU:12.16,9.9,(52.67,-10.46,;54.01,-9.7,;55.34,-10.48,;56.68,-9.72,;58,-10.51,;59.33,-9.75,;59.35,-8.21,;58.02,-7.43,;56.68,-8.19,;54.02,-8.16,;52.69,-7.38,;52.7,-5.85,;54.04,-5.09,;55.37,-5.86,;55.36,-7.4,;55.4,-4.32,;55.4,-2.77,;54.05,-1.98,;52.71,-2.76,;51.38,-2,;50.05,-2.77,;50.05,-4.31,;51.38,-5.08,;52.71,-4.32,)|
COc1ccc2CCN(CCC(F)Cc3ccccc3)CCc2c1
FC(CCN1CCc2ccccc2CC1)Cc1ccccc1
N[C@@H](Cc1cccc(O)c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
COc1cc(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc(OC)c1O |r|
Cc1cc(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc(C)c1O |r|
Cc1cc(O)c(Cl)c(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC1(CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)COC1)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C\C=C(/F)[C@@H](N)Cc1ccc(C)cc1)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC([C@@H](N)Cc1ccc(O)cc1)C(F)(F)F)C(O)=O |r|
CC(C)C[C@H](NC1(COC1)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCc2ccccc2CSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC1=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCc2ccccc2CSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC1=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC1=O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCc2ccccc2CSC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC1=O
CCCN[C@H]1CCc2c(sc(n2)N)C1
CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)C1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
[H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2cccc(c2C1=O)-c1ccccc1)C(=C/OC)\C(=O)OC |r|
CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)C1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r|
[H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCCCCCN(CC(CC)CC)C(=O)CO |r,TLB:9:7:18:3.2|
[H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCN(CC1CCCCC1)C(=O)Cc1nnn[nH]1 |r,TLB:9:7:18:3.2|
C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(O)=O)CC[C@H]1c1cccc(O)c1 |r|
[H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCCCCN(CC(CC)CC)C(=O)CO |r,TLB:9:7:18:3.2|
[H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCN(CC1CCOCC1)C(=O)CO |r,TLB:9:7:18:3.2|
[H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCN(CCCCCC)C(=O)CO |r,TLB:9:7:18:3.2|
NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CC1CCC1)C(=O)CO |r|
NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CCc1ccccc1)C(=O)CO |r|
NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(Cc1ccccc1)C(=O)CO |r|
CS(=O)(=O)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)CC1CCCCC1 |r|
CN(C)S(=O)(=O)N(CCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)CC1CCCCC1 |r|
[H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCN(CC1CCCCC1)S(C)(=O)=O |r,TLB:9:7:18:3.2|
CC(C)NC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)CC1CCCCC1 |r|
[H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCN(CC1CCCCC1)C(C)=O |r,TLB:9:7:18:3.2|
C[C@H]1CN(CCC(O)=O)CC[C@@]1(C)c1cccc(O)c1 |r|
C[C@H]1CN(CCCc2ccccc2)CC[C@@]1(C)c1cccc(O)c1
NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CCCc1ccccc1)C(=O)CO |r|
NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CC1CCC(F)(F)CC1)C(=O)CO |r|
[H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCN(CC1CCCCC1)C(=O)c1ccco1 |r,TLB:9:7:18:3.2|
NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CC1CCCCC1)C(=O)CO |r|
[H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCN(CC1CCCCC1)C(=O)OC |r,TLB:9:7:18:3.2|
C[C@H]1CN(C[C@H](Cc2ccccc2)C(O)=O)CC[C@@]1(C)c1cccc(O)c1 |r|
[H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCCCN(CC(CC)CC)C(=O)CO |r,TLB:9:7:18:3.2|
[H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCNCC1CCCCC1 |r,TLB:9:7:18:3.2|
[H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCN(CC1CCCCC1)C(=O)C(C)(C)C |r,TLB:9:7:18:3.2|
[H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCN(CC(CC)CC)C(=O)CO |r,TLB:9:7:18:3.2|
[H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCCN(CC(CC)CC)C(=O)CO |r,TLB:9:7:18:3.2|
NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CC1CCCC1)C(=O)CO |r|
[H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCN(CC1CCCCC1)C(=O)[C@@H](O)CO
[H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCN(CC1CCCCC1)C(=O)C(F)(F)F |r,TLB:9:7:18:3.2|
CCc1ccc2nc(N3CCC(CC3)NC3CCOCC3)c(cc2c1)-c1nc(C)no1
CCc1cc(F)c2nc(N3CCC(CC3)N[C@H]3CCCOC3)c(cc2c1)-c1nc(C)no1 |r|
CCc1cc(F)c2nc(N3CCC(CC3)NC3CCOCC3)c(-c3nc(C)no3)c(C)c2c1
CC(C)CNC1CCN(CC1)c1nc2ccc(C)cc2cc1-c1nc(C)no1
Cc1noc(n1)-c1cc2cc(C)ccc2nc1N1CCC(CC1)NCC1CC1
CCc1ccc2nc(N3CCC(CC3)NCC(C)C)c(cc2c1)-c1nc(C)no1
CCc1ccc2nc(N3CCC(CC3)N[C@@H](C)C(C)C)c(cc2c1)-c1nc(C)no1 |r|
CCc1ccc2nc(N3CCC(CC3)N[C@H]3CCCC[C@@H]3O)c(cc2c1)-c1nc(C)no1 |r|
CCc1ccc2nc(N3CCC(CC3)N[C@@H]3CCCOC3)c(cc2c1)-c1nc(C)no1 |r|
CCc1ccc2nc(N3CCC(CC3)N[C@@H]3CCOC3)c(cc2c1)-c1nc(C)no1 |r|
CCc1ccc2nc(N3CCC(CC3)N[C@H]3CCOC3)c(cc2c1)-c1nc(C)no1 |r|
CCc1cc(F)c2nc(N3CCC(CC3)N[C@@H]3CCOC3)c(cc2c1)-c1nc(C)no1 |r|
CCc1cc(F)c2nc(N3CCC(CC3)N[C@H]3CCOC3)c(cc2c1)-c1nc(C)no1 |r|
CCc1cc(F)c2nc(N3CCC(CC3)N[C@@H]3CCOC3)c(-c3nc(C)no3)c(C)c2c1 |r|
CCc1cc(F)c2nc(N3CCC(CC3)N[C@H]3CCOC3)c(-c3nc(C)no3)c(C)c2c1 |r|
Cc1noc(n1)-c1cc2cc(C)ccc2nc1N1CCC(CC1)NC1CCOCC1
CCc1cc(F)c2nc(N3CCC(CC3)N[C@@H]3CCCOC3)c(cc2c1)-c1nc(C)no1 |r|
CCc1ccc2nc(N3CCC(CC3)N[C@H]3CCCOC3)c(cc2c1)-c1nc(C)no1 |r|
CCc1cc(F)c2nc(N3CCC(CC3)N[C@@H]3CCCOC3)c(-c3nc(C)no3)c(C)c2c1 |r|
Cc1noc(n1)-c1cc(C)cnc1N1CC[C@H](NC2CCCCC2)[C@@H](O)C1 |r|
CCc1ccc2nc(N3CCC(CC3)NCC3CC3)c(cc2c1)-c1nc(C)no1
CCc1ccc2nc(N3CCC(CC3)NCC3(C)COC3)c(cc2c1)-c1nc(C)no1
CCc1cc(F)c2nc(N3CCC(CC3)NC3CCOCC3)c(cc2c1)-c1nc(C)no1
CCc1cc(F)c2nc(N3CCC(CC3)N[C@H]3CCCOC3)c(-c3nc(C)no3)c(C)c2c1 |r|
OC(=O)c1cc(-c2ccc(cc2)C2CCNCC2)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
[H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2cccc(C#N)c2C1=O)C(=C/OC)\C(=O)OC |r|
[H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2ccccc2C1=O)C(=C/OC)\C(=O)OC |r|
[H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2cccc(O)c2C1=O)C(=C/OC)\C(=O)OC |r|
[H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21N(C)c2cccc(OC)c2C1=O)C(=C/OC)\C(=O)OC |r|
[H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2cccc(-c3ccoc3)c2C1=O)C(=C/OC)\C(=O)OC |r|
[H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2cccc(OC(C)=O)c2C1=O)C(=C/OC)\C(=O)OC |r|
[H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21N(Cc2ccccc2)c2cccc(OC)c2C1=O)C(=C/OC)\C(=O)OC |r|
[H][C@]12CCCN1C(=O)CCNC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](Cc1ccccc1)NC2=O |r|
[H][C@]12CCCN1C(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@@H](Cc1ccccc1)NC2=O |r|
[H][C@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C)c3ccccc13)NC(=O)[C@H](Cc1ccccc1)NC2=O |r|
[H][C@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cn(C)c3ccccc13)NC(=O)[C@H](Cc1ccccc1)NC2=O |r|
[H][C@]12CCCN1C(=O)CCCNC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](Cc1ccccc1)NC2=O |r|
[H][C@]12CCCN1C(=O)[C@@H](C)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](Cc1ccccc1)NC2=O |r|
[H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)N(C)C(c1ccccc1)c1ccccc1)[C@H]2C |r,THB:35:34:3.9.2:12.13.14|
[H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)NC(c1ccccc1)c1ccccc1)[C@H]2C |r,THB:34:33:9.2.3:13.12.14|
[H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)N1CCc3ccccc3[C@H]1c1ccccc1)[C@H]2C |r,THB:36:35:3.9.2:12.13.14|
[H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)NCC(c1ccccc1)c1ccccc1)[C@H]2C |r,THB:35:34:13.12.14:3.9.2|
[H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)N1CCc3ccccc3[C@@H]1c1ccccc1)[C@H]2C |r,THB:36:35:3.9.2:12.13.14|
CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4OCCOc4c3)ccc12
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(c2ccc(Cc3ccc4ccccc4c3)cc12)S(C)(=O)=O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)c2ccccc2)c2ccc(Cc3cc4ccccc4o3)cc12
CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3cc4ccccc4o3)ccc12
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C2CC2)c2ccc(Cc3ccc4ccccc4c3)cc12
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CN3CCc4ccccc4C3)cc12
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccc4OCCOc4c3)cc12
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3cc4ccccc4o3)cc12
CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(CN3CCc4ccccc4C3)ccc12
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C2CC2)c2ccc(Cc3cnc4ccccc4c3)cc12
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C2CC2)c2ccc(CN3CCc4ccccc4C3)cc12
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C2CC2)c2ccc(Cc3cc4ccccc4o3)cc12
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(c2ccc(Cc3cnc4ccccc4c3)cc12)S(C)(=O)=O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(c2ccc(CN3CCc4ccccc4C3)cc12)S(C)(=O)=O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(c2ccc(Cc3cc4ccccc4o3)cc12)S(C)(=O)=O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)c2ccccc2)c2ccc(Cc3cnc4ccccc4c3)cc12
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)c2ccccc2)c2ccc(CN3CCc4ccccc4C3)cc12
CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3cnc4ccccc4c3)ccc12
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3cnc4ccccc4c3)cc12
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C2CC2)c2ccc(Cc3ccc4OCCOc4c3)cc12
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(c2ccc(Cc3ccccc3)cc12)S(C)(=O)=O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(c2ccc(Cc3ccc4OCCOc4c3)cc12)S(C)(=O)=O
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)c2ccccc2)c2ccc(Cc3ccc4OCCOc4c3)cc12
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)c2ccccc2)c2ccc(Cc3ccc4ccccc4c3)cc12
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC=CC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC=C/C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O
Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12
C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1c(C)cccc1C |r,TLB:16:15:1:4.10.3|
C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1c(C)cc(C)cc1C |r,TLB:16:15:1:4.10.3|
C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1ccc(C)cc1C |r,TLB:16:15:1:4.10.3|
CCc1cccc(C)c1NC(=O)CCN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21 |r,TLB:13:14:19:23.29.22|
C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1cc(C)ccc1C |r,TLB:16:15:1:4.10.3|
C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)N(Cc1ccccc1)c1ccccc1 |r,TLB:16:15:1:4.10.3|
C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)N(Cc1ccccc1)c1c(C)cccc1C |r,TLB:16:15:1:4.10.3|
C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)N(Cc1ccccc1)c1c(C)cc(C)cc1C |r,TLB:16:15:1:4.10.3|
C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)N(Cc1ccccc1)c1ccc(C)cc1C |r,TLB:16:15:1:4.10.3|
CCc1cccc(C)c1N(Cc1ccccc1)C(=O)CCN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21 |r,TLB:20:21:26:30.36.29|
C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN(Cc1ccccc1)c1ccccc1 |r,TLB:16:15:1:4.10.3|
C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCNc1ccc(C)cc1C |r,TLB:16:15:1:4.10.3|
C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCNc1cc(C)ccc1C |r,TLB:16:15:1:4.10.3|
C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN(C)c1ccccc1 |r,TLB:16:15:1:4.10.3|
CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCN1C(=O)C2=C(SC[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)NNC(=O)[C@H](Cc3ccccc3)NC(=O)CNC(=O)[C@@H](CS2)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O
Cc1cc(=O)oc2ccc(cc12)N1C(=O)C2=C(SC[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)NNC(=O)[C@H](Cc3ccccc3)NC(=O)CNC(=O)[C@@H](CS2)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O
Cc1cc(=O)oc2cc(NC(=O)CCN3C(=O)C4=C(SC[C@@H](NC(=O)[C@@H](N)Cc5ccc(O)cc5)C(=O)NCC(=O)N[C@@H](Cc5ccccc5)C(=O)NNC(=O)[C@H](Cc5ccccc5)NC(=O)CNC(=O)[C@@H](CS4)NC(=O)[C@@H](N)Cc4ccc(O)cc4)C3=O)ccc12
COc1ccc(cc1)C1CCCN1Cc1ccc(Oc2ccc(cc2)C(=O)NO)cc1
ONC(=O)c1ccc(Oc2ccc(CN3CCCC3c3cccc(F)c3)cc2)c(F)c1
COc1cccc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(=O)NO)cc1
Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc3c(c2)o[nH]c3=O)cc1
OC(=O)c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F
NC(=O)c1ccc(cc1)-c1cc(cc(c1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O
OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)C12CC1CNCC2
NCCCNC(=O)c1ccc(cc1)-c1cc(cc(c1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O
CC(=O)NC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
CC(=O)NC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
CC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
CCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
NC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
NCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
NCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
NCCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
NC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)C(=O)Cc1ccccc1)ccc3O |r,THB:25:9:4.5.6:13|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)C(=O)CCc1ccccc1)ccc3O |r,THB:25:9:4.5.6:13|
[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1C(=O)Cc1ccccc1)Cc1nc4ccccc4cc1C[C@@]23O |r,THB:14:13:9.3.2:35|
[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1C(=O)CCc1ccccc1)Cc1nc4ccccc4cc1C[C@@]23O |r,THB:14:13:9.3.2:36|
[H][C@@]12OC3C4C(C[C@@]5([H])N(CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)C(=O)C1CC1)=CC=C3OC |r,c:36,38,THB:25:9:13:5.4.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccccc1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccc(Br)cc1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccc(F)cc1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccc(F)cc1F)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccc(F)c(F)c1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccccc1C)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1cccc(C)c1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccc(C)cc1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccc(F)cc1C)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:6.5.4|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccccc1C1CC1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:6.5.4|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1c(C)cccc1C)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:6.5.4|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccccc1OC)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1cccc(OC)c1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccc(OC)cc1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1cccc(O)c1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccccc1N(C)C)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1cccc(c1)N(C)C)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccc(cc1)N(C)C)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccccc1CN(C)C)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccccc1NC(N)=O)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1cccc(NC(C)=O)c1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccc(NC(C)=O)cc1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-n1cccc1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccccn1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1cccnc1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccncc1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccnc(C)c1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccnc(OC)c1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccncn1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1cncnc1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1cnccn1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1cn[nH]c1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1cnn(C)c1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1conc1C)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1nnc(C)o1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccc(Cl)cc1)OCCCc1ccncc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccc(Cl)cc1)OCCOc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccc(Cl)cc1)OCc1ccc2ccccc2n1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccccc1)OCCCc1ccccn1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccccc1)OCCCc1ccncc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccccc1)OCCCc1ccc(F)cc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccccc1)OCCCC1CCCCC1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccccc1)OCCCC1CCOCC1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccccc1)OCCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccccc1)OCC)ccc3O |r,THB:10:9:17:4.5.6|
CCCCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)C(N)=O)C1=O |r|
CCCCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(N)=O)C1=O |r|
CCCCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(N)=O)C1=O |r|
C(N[C@H]1CCC[C@]2(C1)OCCc1ccccc21)C1CCCCC1 |r|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@H]2NCC(=O)NCC(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@H]2N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@@H]2N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@H]2NCCCC(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@@H]2NCCCC(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@H]2NCCC(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@@H]2NCCC(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@H]2N[C@@H](CC)C(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@@H]2N[C@@H](CC)C(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@H]2N[C@@H](C1CCCCC1)C(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@@H]2N[C@@H](C1CCCCC1)C(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@H]2N[C@H](Cc1ccccc1)C(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@@H]2N[C@H](Cc1ccccc1)C(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@H]2N[C@H](C(C)C)C(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@@H]2N[C@H](C(C)C)C(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@H]2N[C@H](C)C(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@@H]2N[C@H](C)C(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@H]2N[C@@H](CCC(O)=O)C(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@@H]2N[C@@H](CCC(O)=O)C(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@H]2N[C@@H](CC(O)=O)C(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@@H]2N[C@@H](CC(O)=O)C(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@H]2N[C@@H](CCC(N)=O)C(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@@H]2N[C@@H](CCC(N)=O)C(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@H]2N[C@@H](CC(N)=O)C(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@@H]2N[C@@H](CC(N)=O)C(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@H]2N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@@H]2N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@H]2N[C@@H](Cc1ccc(O)cc1)C(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@@H]2N[C@@H](Cc1ccc(O)cc1)C(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@H]2N[C@@H](CCCCN)C(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@@H]2N[C@@H](CCCCN)C(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@H]2N[C@@H](C(C)C)C(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@@H]2N[C@@H](C(C)C)C(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@H]2N[C@@H](CO)C(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@@H]2N[C@@H](CO)C(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@H]2N[C@@H](Cc1ccccc1)C(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@@H]2N[C@@H](Cc1ccccc1)C(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@H]2N[C@@H](C)C(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@@H]2N[C@@H](C)C(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC[C@H]2NCC(O)=O)ccc3O |r,THB:10:9:14:4.5.6|
[H][C@]12CCC[C@@](CCN1CCc1ccccc1)([C@@H]2O)c1cccc(O)c1 |r,THB:9:8:4.3.2:17|
[H][C@]12CCC[C@](CCN1CCc1ccccc1)([C@@H]2CCCO)c1cccc(O)c1 |r,THB:9:8:4.3.2:17|
[H][C@]12CCC[C@](CCN1CCc1ccccc1)([C@@H]2CCC(=O)OC)c1cccc(O)c1 |r,THB:9:8:4.3.2:17|
[H][C@@]12CCC[C@@](CCN1CCc1ccccc1)([C@@H]2CCC(=O)OC)c1cccc(O)c1 |r,THB:9:8:4.3.2:17|
[H][C@@]12CCC[C@@](CCN1CCc1ccccc1)([C@H]2CCC(O)=O)c1cccc(O)c1 |r,THB:9:8:4.3.2:17|
[H][C@@]12CCC[C@@](CCN1CCc1ccccc1)([C@H]2CCC(=O)OCC)c1cccc(O)c1 |r,THB:9:8:4.3.2:17|
[H][C@@]12CCC[C@@](CCN1CCc1ccccc1)([C@H]2CCCO)c1cccc(O)c1 |r,THB:9:8:4.3.2:17|
[H][C@@]12CCC[C@@](CCN1CCc1ccccc1)([C@H]2CCC(=O)OC)c1cccc(O)c1 |r,THB:9:8:4.3.2:17|
[H][C@@]12CCC[C@@](CCN1CCc1ccccc1)([C@H]2\C=C\CO)c1cccc(O)c1 |r,THB:9:8:4.3.2:17|
[H][C@@]12CCC[C@@](CCN1CCc1ccccc1)([C@H]2CCC)c1cccc(O)c1 |r,THB:9:8:4.3.2:17|
[H][C@@]12CCC[C@@](CCN1CCc1ccccc1)([C@H]2\C=C\C(=O)OC)c1cccc(O)c1 |r,THB:9:8:4.3.2:17|
CN(C)CC1CN(CCC1(O)c1cccc(O)c1)C(=O)Nc1ccccc1
CN(C)CC1CN(CCC1(O)c1ccccc1)C(=O)Nc1cccc(Cl)c1
CN(C)CC1CN(CCC1(O)c1ccccc1)C(=O)Nc1ccccc1
[H][C@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@]14C51CC[C@@]2(OC)[C@H](C1)C(C)(C)O)ccc3O |r,TLB:3:4:15.14.9:17,29:5:15.14.9:17,THB:25:23:16.1:19.18,4:16:23.24:19.18,15:16:23.24:19.18|
[H][C@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@]14C51CC[C@@]2(OC)[C@]([H])(C1)[C@@](C)(O)C(C)(C)C)ccc3O |r,TLB:3:4:15.14.9:17,33:5:15.14.9:17,THB:26:23:16.1:19.18,4:16:23.25:19.18,15:16:23.25:19.18|
[H][C@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@]14C51C[C@]([H])(C(C)(C)O)[C@]2(OC)C=C1)ccc3O |r,c:29,TLB:3:4:12.11.9:14,27:5:12.11.9:14,4:13:16.15:25.26,12:13:16.15:25.26,THB:18:16:13.1:25.26|
[H][C@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@]14C51CC[C@@]2(OC)[C@H](C1)C(C)(C)O)ccc3O |r,TLB:3:4:12.11.9:14,26:5:12.11.9:14,THB:22:20:13.1:16.15,4:13:20.21:16.15,12:13:20.21:16.15|
[H][C@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@]14C51CC[C@@]2(O)[C@H](C1)C(C)(C)O)ccc3O |r,TLB:3:4:15.14.9:17,28:5:15.14.9:17,THB:24:22:16.1:19.18,4:16:22.23:19.18,15:16:22.23:19.18|
[H][C@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@]14C51CC[C@@]2(O)[C@]([H])(C1)[C@@](C)(O)C(C)(C)C)ccc3O |r,TLB:3:4:15.14.9:17,32:5:15.14.9:17,THB:25:22:16.1:19.18,4:16:22.24:19.18,15:16:22.24:19.18|
[H][C@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@]14C51C[C@]([H])([C@@](C)(O)CCC)[C@]2(O)C=C1)ccc3O |r,c:30,TLB:3:4:12.11.9:14,28:5:12.11.9:14,4:13:16.15:26.27,12:13:16.15:26.27,THB:18:16:13.1:26.27|
[H][C@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@]14C51C[C@]([H])([C@@](C)(O)CCc4ccccc4)[C@]2(O)C=C1)ccc3O |r,c:36,TLB:3:4:12.11.9:14,33:5:12.11.9:14,4:13:16.15:31.32,12:13:16.15:31.32,THB:18:16:13.1:31.32|
[H][C@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@]14C51C[C@]([H])([C@@](C)(O)CCc4ccccc4)[C@]2(OC)C=C1)ccc3OC |r,c:37,TLB:3:4:12.11.9:14,34:5:12.11.9:14,4:13:16.15:32.33,12:13:16.15:32.33,THB:18:16:13.1:32.33|
[H][C@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@]14C51C[C@]([H])([C@@](C)(O)CCc4ccccc4)[C@]2(O)C=C1)ccc3OC |r,c:36,TLB:3:4:12.11.9:14,33:5:12.11.9:14,4:13:16.15:31.32,12:13:16.15:31.32,THB:18:16:13.1:31.32|
[H][C@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@]14C51C[C@]([H])([C@@](C)(O)CCc4ccccc4)[C@]2(OCC)C=C1)ccc3OC |r,c:38,TLB:3:4:12.11.9:14,35:5:12.11.9:14,4:13:16.15:33.34,12:13:16.15:33.34,THB:18:16:13.1:33.34|
[H][C@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@]14C51C[C@]([H])([C@@](C)(O)CCC)[C@]2(OC)C=C1)ccc3OC |r,c:31,TLB:3:4:12.11.9:14,29:5:12.11.9:14,4:13:16.15:27.28,12:13:16.15:27.28,THB:18:16:13.1:27.28|
[H][C@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@]14C51C[C@]([H])([C@@](C)(O)CCC)[C@]2(OC)C=C1)ccc3O |r,c:31,TLB:3:4:12.11.9:14,29:5:12.11.9:14,4:13:16.15:27.28,12:13:16.15:27.28,THB:18:16:13.1:27.28|
CCCCCc1cc(c(c(c1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(C)(C)C)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(C)(C)C)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(C)(C)C)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c(C)cc(O)cc1C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(C)(C)C)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c(C)cc(O)cc1C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(C)(C)C)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c(C)cc(O)cc1C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C[C@H](CCCNC(N)=N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(C)(C)C)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c(C)cc(O)cc1C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C[C@H](CCCCN)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(C)(C)C)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1Cc2cc(O)ccc2CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(C)(C)C)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1Cc2cc(O)ccc2CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(C)(C)C)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc(O)c1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(C)(C)C)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc(O)c1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(C)(C)C)C(O)=O |r|
CCC(=O)N(c1ccccc1)C1(CCN(CCc2ccccc2)CC1)C(=O)Nc1ccc(OC)cc1
CCC(=O)N(Cc1ccccc1)C1(CCN(CCc2ccccc2)CC1)C(=O)NCCc1cccc(F)c1
CCC(=O)N(Cc1ccco1)C1(CCN(CCc2ccccc2)CC1)C(=O)NCCc1cccc(F)c1
CCC(=O)N(Cc1cccc(Cl)c1)C1(CCN(CCc2ccccc2)CC1)C(=O)NCCc1cccc(F)c1
CCC(=O)N(Cc1cccs1)C1(CCN(CCc2ccccc2)CC1)C(=O)NCCc1cccc(F)c1
CCC(=O)N(Cc1ccco1)C1(CCN(CCc2ccccc2)CC1)C(=O)Nc1ccc(OC)cc1
CCC(=O)N(Cc1cccs1)C1(CCN(CCc2ccccc2)CC1)C(=O)Nc1ccc(OC)cc1
CCC(=O)N(Cc1ccncc1)C1(CCN(CCc2ccccc2)CC1)C(=O)Nc1ccc(OC)cc1
CCC(=O)N(Cc1ccccc1)C1(CCN(CCc2ccccc2)CC1)C(=O)Nc1ccc(OC)cc1
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CS)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CS)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](C)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCN)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](C)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](C)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O |r|
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CSCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CO)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
[H][C@@]12CC[C@@]3(C)[C@@H](C=C(OC(=O)c4ccc(OC)cc4)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r,t:7|
[H][C@@]12CC[C@@]3(C)[C@@H](C=C(OC(=O)c4cccc(OC)c4)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r,t:7|
[H][C@@]12CC[C@@]3(C)[C@@H](C=C(OC(=O)c4ccc(cc4)[N+]([O-])=O)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r,t:7|
[H][C@@]12CC[C@@]3(C)[C@@H](C=C(OC(=O)c4ccc(C)cc4)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r,t:7|
[H][C@@]12CC[C@@]3(C)[C@@H](C=C(OC(=O)c4ccc(Cl)cc4)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r,t:7|
[H][C@@]12CC[C@@]3(C)[C@@H](C=C(OC(=O)c4ccc(F)cc4)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r,t:7|
[H][C@@]12CC[C@@]3(C)[C@H](OC(C)=O)C=C(OC(=O)c4cccc(F)c4)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1 |r,t:11|
[H][C@@]12CC[C@@]3(C)[C@@H](C=C(OC(=O)c4ccccc4F)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r,t:7|
[H][C@@]12CC[C@@]3(C)[C@@H](C=C(OC(=O)c4ccccc4)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r,t:7|
[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](NC(=O)c4ccccc4)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)OC(C)=O |r|
CNC(=O)NC1CCN(CC1)C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC[C@H](C)c1ccccc1 |r|
CC(C)C[C@H](OC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r|
CC(C)C[C@H](N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N\C=C\NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN[C@@H]([C@@H](N)Cc1ccc(O)cc1)C(F)(F)F)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN[C@H]([C@@H](N)Cc1ccc(O)cc1)C(F)(F)F)C(O)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCN2CCC(Cc3ccccc3)CC2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O |r|
OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)-c1ccc(NC(=O)C2CCNCC2)cc1
OCc1cc(no1)-c1ccc(cc1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O
OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)-c1nnn[nH]1
[H][C@@]12C[C@@]3([H])C(CN1CC[C@@]14c5cc(O)ccc5N(C)[C@@]21OC[C@]34C(=O)OC)=CC |r,TLB:28:5:2:10.20.23,11:10:2:7.5.6,21:20:2:7.5.6,18:20:2:7.5.6,22:23:2:7.5.6,THB:6:7:20:2.23.3,24:23:2:7.5.6,8:7:2:10.20.23,9:10:2:7.5.6|
[H][C@@]12C[C@@]3([H])C(CN1[C@@]([H])(Cc1c2[nH]c2ccccc12)[C@@]3(CO)C(=O)OC)=CC |r,TLB:10:8:1.2:5.6,THB:21:20:1.2:5.6,6:7:11.12.10:20.2.3,23:20:1.2:5.6,12:1:20.8:5.6|
[H][C@@]12C[C@@]3([H])C(CN1CC[C@@]14c5ccccc5N(C)[C@@]21OC[C@]34C(=O)OC)=CC |r,TLB:27:5:2:10.19.22,11:10:2:7.5.6,20:19:2:7.5.6,21:22:2:7.5.6,17:19:2:7.5.6,THB:6:7:19:2.22.3,23:22:2:7.5.6,8:7:2:10.19.22,9:10:2:7.5.6|
COC(=O)C1[C@H]2C[C@@H]3N(CC[C@]33C1=Nc1ccccc31)C\C2=C\C |r,t:14|
[H][C@@]12C[C@@]3([H])C(CN1CC[C@@]1(C2=Nc2ccccc12)[C@]3(COC(C)=O)C(=O)OC)=CC |r,t:13,TLB:29:5:2:10.11.19,18:10:2:7.5.6,12:11:2:7.5.6,20:19:2:7.5.6,THB:25:19:2:7.5.6,8:7:2:10.11.19,9:10:2:7.5.6,6:7:11:2.19.3|
[H][C@@]12C[C@@]34c5ccccc5N[C@]3(O1)[C@]1([H])C[C@@]([H])(C(CN21)=CC)[C@@]4(COC(C)=O)C(=O)OC |r,TLB:21:18:15:3.11.23,4:3:15:20.18.19,10:11:15:20.18.19,24:23:15:20.18.19,THB:29:23:15:20.18.19,1:20:15:3.11.23,2:3:15:20.18.19,12:11:15:20.18.19|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1cccc(N)c1)ccc3OC |r,THB:10:9:5.4.6:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1cccc(NC)c1)ccc3OC |r,THB:10:9:5.4.6:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1cccc(NCC2CC2)c1)ccc3OC |r,THB:10:9:5.4.6:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1cccc(NCC2CCC2)c1)ccc3OC |r,THB:10:9:5.4.6:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1cccc(NCc2ccccc2)c1)ccc3OC |r,THB:10:9:5.4.6:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1cccc(NCc2ccc(C)cc2)c1)ccc3OC |r,THB:10:9:5.4.6:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1cccc(NCc2ccc(OC)cc2)c1)ccc3OC |r,THB:10:9:5.4.6:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1cccc(NCc2ccc(Cl)nc2)c1)ccc3OC |r,THB:10:9:5.4.6:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1cccc(NC(=O)C2CC2)c1)ccc3OC |r,THB:10:9:5.4.6:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1cccc(NC(=O)c2ccccc2)c1)ccc3OC |r,THB:10:9:5.4.6:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1cccc(NC(=O)c2ccc(OC)cc2)c1)ccc3OC |r,THB:10:9:5.4.6:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1cccc(NC(=O)c2ccc(C)c(C)c2)c1)ccc3OC |r,THB:10:9:5.4.6:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1cccc(NCC(O)COc2cccc4[nH]c5ccccc5c24)c1)ccc3OC |r,THB:10:9:5.4.6:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1cccc(NCc2ccc(F)cc2)c1)ccc3OC |r,THB:10:9:5.4.6:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1cccc(NCc2cccc(C)c2)c1)ccc3OC |r,THB:10:9:5.4.6:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1cccc(NCc2cccc(OC)c2)c1)ccc3OC |r,THB:10:9:5.4.6:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1cccc(NCc2ccc(cc2)C(F)(F)F)c1)ccc3OC |r,THB:10:9:5.4.6:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1cccc(NCc2ccc(cc2)[N+]([O-])=O)c1)ccc3OC |r,THB:10:9:5.4.6:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1cccc(NCc2ccc(N)cc2)c1)ccc3OC |r,THB:10:9:5.4.6:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1cccc(NCc2ccc(O)cc2)c1)ccc3OC |r,THB:10:9:5.4.6:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1cccc(NCc2ccc(OC(C)=O)cc2)c1)ccc3OC |r,THB:10:9:5.4.6:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1cccc(NCc2ccc(OCC4CC4)cc2)c1)ccc3OC |r,THB:10:9:5.4.6:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1cccc(NCc2ccc(OCC4CCC4)cc2)c1)ccc3OC |r,THB:10:9:5.4.6:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1cccc(NCc2ccc(OC)cc2)c1)ccc3O |r,THB:10:9:5.4.6:17|
CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(=O)NCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(O)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)NCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(O)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(=O)NCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(O)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)NCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(O)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(=O)NCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(O)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)NCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(O)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r|
CN1[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CN1[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(=O)NCCCC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CN1[C@@H](Cc2ccccc2)C(=O)N[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CN1[C@@H](Cc2ccccc2)C(=O)N[C@H](CC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CN1[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CN1[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(=O)NCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CN1[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(=O)NCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CN1[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(=O)NC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
[#7]-[#6](=[#7])-[#7]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)\[#6]=[#6](\c1ccccc1)-c1ccccc1 |r|
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#6](-[#7])=O |r|
NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccccc1 |r|
Fc1ccc(nc1)[C@]1(CCNCc2cccc(Cl)c2)CCO[C@]2(CCOC2)C1 |r|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CCc1ncc[nH]1)ccc3O |r,THB:10:9:17:6.4.5|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cc[nH]n1)ccc3O |r,THB:10:9:17:6.4.5|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)Cc1ncc[nH]1)ccc3O |r,THB:10:9:17:6.4.5|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cc[nH]n1)ccc3O |r,THB:10:9:17:6.4.5|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CCc1cnc[nH]1)ccc3O |r,THB:10:9:17:6.4.5|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cnc[nH]1)ccc3O |r,THB:10:9:17:6.4.5|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CCc1cnc[nH]1)ccc3O |r,THB:10:9:17:6.4.5|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)Cc1cc[nH]n1)ccc3O |r,THB:10:9:17:6.4.5|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cn[nH]c1)ccc3O |r,THB:10:9:17:6.4.5|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CCc1cc[nH]n1)ccc3O |r,THB:10:9:17:6.4.5|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cn[nH]c1)ccc3O |r,THB:10:9:17:6.4.5|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CCc1ncc[nH]1)ccc3O |r,THB:10:9:17:6.4.5|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)Cc1cn[nH]c1)ccc3O |r,THB:10:9:17:6.4.5|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1ncc[nH]1)ccc3O |r,THB:10:9:17:6.4.5|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)Cc1cnc[nH]1)ccc3O |r,THB:10:9:17:6.4.5|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)Cc1cnc[nH]1)ccc3O |r,THB:10:9:17:6.4.5|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)Cc1ncc[nH]1)ccc3O |r,THB:10:9:17:6.4.5|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CCc1cn[nH]c1)ccc3O |r,THB:10:9:17:6.4.5|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CCc1cn[nH]c1)ccc3O |r,THB:10:9:17:6.4.5|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ncc[nH]1)ccc3O |r,THB:10:9:17:6.4.5|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)Cc1cc[nH]n1)ccc3O |r,THB:10:9:17:6.4.5|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cnc[nH]1)ccc3O |r,THB:10:9:17:6.4.5|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CCc1cc[nH]n1)ccc3O |r,THB:10:9:17:6.4.5|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)Cc1cn[nH]c1)ccc3O |r,THB:10:9:17:6.4.5|
[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1ccc[nH]1)ccc3O
[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ccc[nH]1)ccc3O
[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)Cc1ccc[nH]1)ccc3O
[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)Cc1ccc[nH]1)ccc3O
[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CCc1ccc[nH]1)ccc3O
[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CCc1ccc[nH]1)ccc3O
[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cc[nH]c1)ccc3O
[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cc[nH]c1)ccc3O
[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)Cc1cc[nH]c1)ccc3O
[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)Cc1cc[nH]c1)ccc3O
[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CCc1cc[nH]c1)ccc3O
[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CCc1cc[nH]c1)ccc3O
[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1ccco1)ccc3O
[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ccco1)ccc3O
[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)Cc1ccco1)ccc3O
[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)Cc1ccco1)ccc3O
[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CCc1ccco1)ccc3O
[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CCc1ccco1)ccc3O
[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1ccoc1)ccc3O
[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ccoc1)ccc3O
[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)Cc1ccoc1)ccc3O
[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)Cc1ccoc1)ccc3O
[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CCc1ccoc1)ccc3O
[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CCc1ccoc1)ccc3O
[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cccs1)ccc3O
[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cccs1)ccc3O
[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)Cc1cccs1)ccc3O
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)CCc1cccs1
[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CCc1cccs1)ccc3O
[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1ccsc1)ccc3O
[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ccsc1)ccc3O
[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)Cc1ccsc1)ccc3O
[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)Cc1ccsc1)ccc3O
[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CCc1ccsc1)ccc3O
[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CCc1ccsc1)ccc3O
CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccc(Cl)c(Cl)c1 |r|
CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccc(Cl)c(Cl)c1 |r|
CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)N(C(=O)CC)c1ccc(Cl)c(Cl)c1 |r|
CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccc(Cl)c(Cl)c1 |r|
CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)N(C(=O)CC)c1ccc(Cl)c(Cl)c1 |r|
CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1cc(C)c(O)c(C)c1)c1ccc(Cl)c(Cl)c1 |r|
CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1cc(C)c(O)c(C)c1)c1ccc(Cl)c(Cl)c1 |r|
CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1cc(C)c(O)c(C)c1)c1ccc(Cl)c(Cl)c1 |r|
CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1cc(C)c(O)c(C)c1)c1ccc(Cl)c(Cl)c1 |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C\C=C(/F)[C@@H](N)Cc1ccc(O)cc1)C(=O)N(C)C |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C\C=C(/F)[C@@H](N)Cc1ccc(O)cc1)C(=O)NC1CC1 |r|
CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C\C=C(/F)[C@@H](N)Cc1ccc(O)cc1 |r|
CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C\C=C(/F)[C@@H](N)Cc1ccc(O)cc1 |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C\C=C(/F)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C\C=C(/F)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1 |r|
CN(CCCNC(=O)c1ccc2ccccc2n1)Cc1ccccc1
CN(CCCNC(=O)c1ccc2ccccc2c1)Cc1ccccc1
CN(CCCNC(=O)c1cc2ccccc2o1)Cc1ccccc1
CN(CCCNC(=O)c1ccco1)Cc1ccccc1
COc1ccc(CN(C)CCCNC(=O)c2ccc3ccccc3n2)cc1OC
COc1ccc(CN(C)CCCNC(=O)c2ccc3ccccc3c2)cc1OC
COc1ccc(CN(C)CCCNC(=O)c2cc3ccccc3o2)cc1OC
COc1ccc(CN(C)CCCNC(=O)c2ccco2)cc1OC
CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2ccc(OCC3CCC3)cc2)C(=O)CC(C)(C)C1 |c:6,11|
CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2ccc(OCC3CCCC3)cc2)C(=O)CC(C)(C)C1 |c:6,11|
Cc1ccccc1COc1ccc(nc1)C1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2 |c:29,t:18|
Cc1ccccc1COc1ccc(cc1F)C1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2 |c:30,t:19|
CC1CC(=O)C2=C(C1)OC1=C(C2c2ccc(OCC3CCCCC3)cc2)C(=O)CC(C)C1 |c:5,10|
CCc1ccccc1COc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2 |c:30,t:19|
CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2ccc(OCc3ccccc3C3CC3)cc2)C(=O)CC(C)(C)C1 |c:6,11|
CC(C)c1ccccc1COc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2 |c:31,t:20|
CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2ccc(OCc3ccccc3C#C)cc2)C(=O)CC(C)(C)C1 |c:6,11|
CN1CC[C@]2(Cc3nc4ccccc4cc3C[C@@H]2C1)c1cccc(O)c1
C[C@@H](N(C)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccccc1 |r|
C[C@@H](N(C)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccccc1 |r|
C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
C[C@@H](N(C)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=C)C(N)=O)c1ccccc1 |r|
C[C@@H](N(C)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=C)C(N)=O)c1ccccc1 |r|
C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(=O)NCC(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r|
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(N)=O |r|
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O |r|
[H][C@@]12C[C@@]([H])([C@H](CC)CN1CC[C@@]1(O)C2Nc2cccc(OC)c12)C(=C/OC)\C(=O)OC |r|
[H][C@@]12C[C@@H]([C@H](CN1CCc1c2[nH]c2cccc(OC)c12)C=C)C(=C/OC)\C(=O)OC |r|
[H][C@@]12C[C@@H]([C@@H](CC)CN1CCc1c2[nH]c2cccc(OC)c12)C(=C/OC)\C(=O)OC |r|
[H][C@]12C[C@@H]([C@H](CC)CN1CCc1c2[nH]c2cccc(OC)c12)C(=C/OC)\C(=O)OC |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)c1ccccc1)c1ccccc1)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)c1ccccc1C)c1ccccc1)C(N)=O |r|
Cc1cccc(c1)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)C[C@H](NC(=O)[C@@H](NC1=O)c1ccccc1)C(N)=O)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Cc1ccc(cc1)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)C[C@H](NC(=O)[C@@H](NC1=O)c1ccccc1)C(N)=O)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)c1ccccc1)c1ccccc1C)C(N)=O |r|
Cc1cccc(c1)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](CCCCNC(=O)C[C@H](NC1=O)C(N)=O)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1 |r|
Cc1ccc(cc1)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](CCCCNC(=O)C[C@H](NC1=O)C(N)=O)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1 |r|
CCNC(=O)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r|
NC(=N)NCCC[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(O)=O |r|
CN(CCC(O)=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=N |r|
[H][C@]12CCCN1C(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](Cc1ccccc1)NC2=O |r|
C[C@H]1N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O |r|
[H][C@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](C)NC2=O |r|
[H][C@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC2=O |r|
C[C@H]1N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O |r|
[H][C@]12Nc3cccc(OC)c3[C@@]1(O)CCN1C[C@@H](CC)[C@]([H])(C[C@@]21[H])C(=C/OC)\C(=O)OC |r|
[H][C@]12Nc3ccc(F)c(OC)c3[C@@]1(O)CCN1C[C@@H](CC)[C@]([H])(C[C@@]21[H])C(=C/OC)\C(=O)OC |r|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)C[C@@]14[C@@]5(O)CC[C@H]2N(C)C(=O)\C=C\c1ccoc1)ccc3O |r,TLB:10:9:16:6.5.4|
[H][C@]12Oc3c4c(C[C@]5([H])C(CC[C@H]1N(C)C(=O)\C=C\c1ccoc1)[C@]24CCN5CC1CC1)ccc3O |r,THB:28:27:9:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14C5=CC[C@H]2N(C)C(=O)\C=C\c1ccoc1)ccc3O |r,t:21,THB:10:9:17:4.5.6|
[H][C@@]12Cc3ccc(O)c4O[C@@]5([H])[C@@H](CCC1[C@@]5(CN2CC1CC1)c34)N(C)C(=O)\C=C\c1ccoc1 |r,THB:19:18:15:2.3.23|
[H][C@@]12Cc3ccc(O)c4O[C@@]5([H])[C@@H](CC=C1[C@@]5(CN2CC1CC1)c34)N(C)C(=O)\C=C\c1ccoc1 |r,t:14,THB:19:18:15:2.3.23|
NC(=S)c1ccc(cc1)C(O)=O
c1cc(ccc1C(=O)N)C(=O)O
NC(=S)c1ccc(cc1)C(=O)OC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
NC(=O)c1ccc(cc1)C(=O)OC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
NC(=S)c1ccc(cc1)C(=O)OCCCCN1CCC(O)(CC1)c1ccc(Cl)cc1
NC(=O)c1ccc(cc1)C(=O)OCCCCN1CCC(O)(CC1)c1ccc(Cl)cc1
NC(=S)c1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)CC1
NC(=O)c1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)CC1
NC(=S)c1ccc(cc1)C(=O)N1CCN(Cc2ccccc2)CC1
NC(=O)c1ccc(cc1)C(=O)N1CCN(Cc2ccccc2)CC1
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(CO)C1)ccc3OC |r,THB:10:9:17:4.6.5|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)C=O)ccc3OC |r,THB:10:9:4.5.6:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)[C@H](O)c1ccccc1)ccc3OC |r,THB:10:9:4.5.6:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)[C@H](O)c1ccc(C)cc1)ccc3OC |r,THB:10:9:4.5.6:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)[C@H](O)c1ccc(OC)cc1)ccc3OC |r,THB:10:9:4.5.6:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)[C@H](O)c1cccc(OC)c1)ccc3OC |r,THB:10:9:4.5.6:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)[C@H](O)c1ccc(cc1)C(F)(F)F)ccc3OC |r,THB:10:9:4.5.6:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)[C@H](O)c1ccc(cc1)C(C)C)ccc3OC |r,THB:10:9:4.5.6:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)[C@H](O)c1ccc(Cl)c(Cl)c1)ccc3OC |r,THB:10:9:4.5.6:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)C(=O)c1ccccc1)ccc3OC |r,THB:10:9:4.5.6:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)C(=O)c1ccc(C)cc1)ccc3OC |r,THB:10:9:4.5.6:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)C(=O)c1ccc(OC)cc1)ccc3OC |r,THB:10:9:4.5.6:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)C(=O)c1cccc(OC)c1)ccc3OC |r,THB:10:9:4.5.6:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)C(=O)c1ccc(cc1)C(F)(F)F)ccc3OC |r,THB:10:9:4.5.6:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)C(=O)c1ccc(cc1)C(C)C)ccc3OC |r,THB:10:9:4.5.6:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)C(=O)c1cc(C)cc(C)c1)ccc3OC |r,THB:10:9:4.5.6:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)C(=O)c1ccc2ccccc2c1)ccc3OC |r,THB:10:9:4.5.6:17|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)C(=O)c1ccc(cc1)-c1ccccc1)ccc3OC |r,THB:10:9:4.5.6:17|
[H][C@@]12CC[C@@]3(O1)[C@@]1([H])Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C[C@H]2NC(=O)c1ccccc1 |r,TLB:20:19:4:8.9.15|
[H][C@@]12CC[C@@]3(O1)[C@@]1([H])Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C[C@H]2NC(=O)Cc1ccccc1 |r,TLB:20:19:4:8.9.15|
[H][C@@]12CC[C@@]3(O1)[C@@]1([H])Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C[C@H]2NC(=O)CCc1ccccc1 |r,TLB:20:19:4:8.9.15|
[H][C@@]12CC[C@@]3(O1)[C@@]1([H])Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C[C@@H]2NC(=O)c1ccccc1 |r,TLB:20:19:4:8.9.15|
[H][C@@]12CC[C@@]3(O1)[C@@]1([H])Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C[C@@H]2NC(=O)Cc1ccccc1 |r,TLB:20:19:4:8.9.15|
[H][C@@]12CC[C@@]3(O1)[C@@]1([H])Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C[C@@H]2NC(=O)CCc1ccccc1 |r,TLB:20:19:4:8.9.15|
[H][C@@]12CC[C@@]3(O1)[C@@]1([H])Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C[C@H]2N(C)C(=O)c1ccccc1 |r,TLB:20:19:4:8.9.15|
[H][C@@]12CC[C@@]3(O1)[C@@]1([H])Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C[C@H]2N(C)C(=O)Cc1ccccc1 |r,TLB:20:19:4:8.9.15|
[H][C@@]12CC[C@@]3(O1)[C@@]1([H])Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C[C@H]2N(C)C(=O)CCc1ccccc1 |r,TLB:20:19:4:8.9.15|
CC(C)CC(NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)N(C)C(=O)CNC(=O)C(C)NC(=O)C(N)Cc1c(C)cc(O)cc1C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
[H][C@]12C[C@@H](N3CCCC3)[C@]([H])(C1)N(CC2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,THB:15:12:3.2:11,4:3:11:12.14.13|
CN(C)[C@@H]1CCC2CCN(C1C2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,TLB:1:3:11:9.7.8,THB:12:9:3.4.5:11|
[H][C@]12C[C@@]1([C@@H](O)[C@@H](O)[C@@H]2n1ccc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)OCC |r|
[H][C@]12C[C@@]1([C@@H](O)[C@@H](O)[C@@H]2n1ccc2c(NCCc3ccccc3)nc(nc12)C#Cc1ccccc1)C(=O)OCC |r|
[H][C@@]12C[C@@H]([C@H](CC)C[N+]1([O-])CCc1c2[nH]c2cccc(OC)c12)C(=C/OC)\C(=O)OC
CC[C@@H]1C[N+]2=C(C[C@@H]1\C(=C/OC)C(=O)OC)c1[nH]c3cccc(OC)c3c1CC2 |r,c:4|
[H][C@@]12C[C@@H]([C@H](CC)CN1CCc1c2[nH]c2cccc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)c12)C(=C/OC)\C(=O)OC |r|
[H][C@@]12C[C@@]3([H])\C(CN1CC[C@@]14c5ccccc5N(CCc5ccccc5)[C@@]21OC[C@@]34C(=O)OC)=C\C |r,TLB:17:26:7.6.5:2,27:26:7.6.5:2,28:29:7.6.5:2,11:10:7.6.5:2,34:5:2:10.26.29,THB:30:29:7.6.5:2,9:10:7.6.5:2,8:7:2:10.26.29,6:7:26:3.2.29|
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C1(Cc2ccccc2C1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCNC(=O)CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCNC(=O)CC[C@H](NC(=O)C2(Cc3ccccc3C2)NC1=O)C(N)=O |r|
COC(=O)[C@@]1(C[C@@H]1CN1CC[C@]2(C)[C@H](C)[C@@H]1Cc1ccc(O)cc21)c1ccccc1 |r,TLB:7:8:23.17.16:13|
COC(=O)C1(CC1CN1CC[C@]2(C)[C@H](C)[C@@H]1Cc1ccc(O)cc21)c1ccccc1 |r,TLB:7:8:23.17.16:13|
COC(=O)[C@]1(C[C@H]1CN1CC[C@]2(C)[C@H](C)[C@@H]1Cc1ccc(O)cc21)c1ccccc1 |r,TLB:7:8:23.17.16:13|
COC(=O)[C@@]1(C[C@@H]1CN1CC[C@@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21)c1ccc(Cl)cc1 |r,TLB:7:8:23.17.16:13|
COC(=O)[C@@]1(C[C@@H]1CN1CC[C@@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21)c1ccccc1 |r,TLB:7:8:23.17.16:13|
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC=C |TLB:16:15:1:10.4.3|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cccc2cc(Br)[nH]c12)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cccc2cc(Cl)[nH]c12)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cccc2cc([nH]c12)C#N)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cccc2cc(C)[nH]c12)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cccc2cc([nH]c12)-c1ccccc1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cccc2c(Br)c[nH]c12)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cccc2c(Cl)c[nH]c12)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cccc2c(c[nH]c12)C#N)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cccc2c(c[nH]c12)[N+]([O-])=O)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cccc2c(C=O)c[nH]c12)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cccc2c(c[nH]c12)C(C)=O)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cccc2c(NC(C)=O)c[nH]c12)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cccc2c(C)c[nH]c12)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cccc2c(c[nH]c12)C(C)C)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cccc2c(c[nH]c12)C1CCCC1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cccc2c(c[nH]c12)C1CCCCC1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cccc2c(c[nH]c12)-c1ccccc1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cccc2cc(Br)[nH]c12)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cccc2cc(Cl)[nH]c12)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cccc2cc([nH]c12)C#N)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cccc2cc(C)[nH]c12)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cccc2cc([nH]c12)-c1ccccc1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cccc2c(Br)c[nH]c12)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cccc2c(Cl)c[nH]c12)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cccc2c(c[nH]c12)C#N)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cccc2c(c[nH]c12)[N+]([O-])=O)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cccc2c(C=O)c[nH]c12)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cccc2c(c[nH]c12)C(C)=O)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cccc2c(NC(C)=O)c[nH]c12)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cccc2c(C)c[nH]c12)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cccc2c(c[nH]c12)C(C)C)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cccc2c(c[nH]c12)C1CCCC1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cccc2c(c[nH]c12)C1CCCCC1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cccc2c(c[nH]c12)-c1ccccc1)ccc3O
COC(=O)C(Cc1cccc(OC)c1I)NC(=O)CNCc1ccccc1
COC(=O)C(Cc1cccc(OC)c1I)NC(=O)CN(C)C(=O)OC(C)(C)C
COC(=O)C(Cc1cccc(OC)c1I)NC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C
COC(=O)C(Cc1cccc(OC)c1I)NC(=O)CCCc1ccccc1
COC(=O)C(Cc1ccccc1I)NC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C
COC(=O)C(Cc1cccc(OC)c1)NC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C
COC(=O)C(Cc1cccc(OC)c1I)NC(=O)CN
CNCC(=O)NC(Cc1cccc(OC)c1I)C(=O)OC
COC(=O)C(Cc1ccccc1I)NC(=O)CNCc1ccccc1
COC(=O)C(Cc1cccc(C)c1I)NC(=O)CNCc1ccccc1
COC(=O)C(Cc1cccc(OC)c1)NC(=O)CNCc1ccccc1
COC(=O)C(Cc1cc(OC)cc(OC)c1I)NC(=O)CNCc1ccccc1
COC(=O)C(Cc1cccc(OC)c1C)NC(=O)CNCc1ccccc1
COC(=O)C(Cc1cccc(OC)c1I)NC(=O)CNC(C)c1ccccc1
COC(=O)C(Cc1cccc(OC)c1I)NC(=O)CNCc1cccnc1
COC(=O)C(Cc1cccc(OC)c1I)NC(=O)[C@@H](N)Cc1ccccc1 |r|
COC(=O)C(Cc1cccc(OC)c1I)NC(=O)CNCCc1ccccc1
COC(=O)C(Cc1cccc(OC)c1I)NC(=O)CCNCc1ccccc1
COc1cccc(CC(NC(=O)CNCc2ccccc2)C(O)=O)c1I
COc1cccc(CC(NC(=O)CNCc2ccccc2)C(=O)OC(C)C)c1I
COC(=O)C(Cc1cccc(OC)c1I)NC(=O)CN(C)Cc1ccccc1
COC(=O)C(Cc1cccc(OC)c1I)NC(=O)CN(Cc1ccccc1)C(C)=O
COc1cccc(CC2NC(=O)CN(Cc3ccccc3)C2=O)c1I
COc1cccc(CC2NC(=O)CNC2=O)c1I
COc1cccc(CC2NC(=O)CN(C)C2=O)c1I
Cc1cccc(CC2NC(=O)CN(Cc3ccccc3)C2=O)c1I
COc1cccc(CC2NC(=O)CN(Cc3ccccc3)C2=O)c1
COc1cc(CC2NC(=O)CN(Cc3ccccc3)C2=O)c(I)c(OC)c1
COc1cccc(CC2NC(=O)CN(Cc3ccccc3)C2=O)c1C
COc1cccc(CC2NC(=O)CN(Cc3cccnc3)C2=O)c1I
COc1cccc(CC2NC(=O)[C@H](Cc3ccccc3)NC2=O)c1I |r|
COc1cccc(CC2NC(=O)[C@H](CC(C)C)NC2=O)c1I |r|
[H][C@@]12CCCN1C(=O)C(Cc1cccc(OC)c1I)NC2=O |r|
[#6]-[#8]-c1cccc(-[#6]-[#6]-2-[#7]-[#6](=O)-[#6]-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-2=O)c1I
COc1cccc(CC2NC(=O)CN(CCc3ccccc3)C2=O)c1I
COc1cccc(CC2NC(=O)CN(CCCc3ccccc3)C2=O)c1I
COc1cccc(CC2NC(=O)CCN(Cc3ccccc3)C2=O)c1I
Oc1cccc(CC2NC(=O)CN(Cc3ccccc3)C2=O)c1I
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1c(CN)cc2ccccc12 |r,wD:3.2,6.9,(7.66,-.93,;6.57,-2.02,;6.97,-3.51,;5.08,-1.62,;4.68,-.14,;3.19,.26,;2.11,-.83,;2.5,-2.31,;3.99,-2.71,;.62,-.43,;-.47,-1.52,;-1.96,-1.12,;-2.36,.37,;-1.27,1.46,;.22,1.06,;-3.84,.77,;-4.47,2.18,;-3.7,3.51,;-2.16,3.51,;-6,2.01,;-6.32,.51,;-7.66,-.26,;-7.66,-1.8,;-6.32,-2.57,;-4.99,-1.8,;-4.99,-.26,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1c(CCN)cc2ccccc12 |r,wD:3.2,6.9,(7.66,-1.6,;6.57,-2.69,;6.97,-4.18,;5.08,-2.29,;4.68,-.8,;3.19,-.4,;2.11,-1.49,;2.5,-2.98,;3.99,-3.38,;.62,-1.09,;-.47,-2.18,;-1.96,-1.78,;-2.36,-.3,;-1.27,.79,;.22,.39,;-3.84,.1,;-4.47,1.51,;-3.7,2.84,;-2.16,2.84,;-1.39,4.18,;-6,1.35,;-6.32,-.16,;-7.66,-.93,;-7.66,-2.47,;-6.32,-3.24,;-4.99,-2.47,;-4.99,-.93,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1c(CO)cc2ccccc12 |r,wD:3.2,6.9,(7.66,-.93,;6.57,-2.02,;6.97,-3.51,;5.08,-1.62,;4.68,-.14,;3.19,.26,;2.11,-.83,;2.5,-2.31,;3.99,-2.71,;.62,-.43,;-.47,-1.52,;-1.96,-1.12,;-2.36,.37,;-1.27,1.46,;.22,1.06,;-3.84,.77,;-4.47,2.18,;-3.7,3.51,;-2.16,3.51,;-6,2.01,;-6.32,.51,;-7.66,-.26,;-7.66,-1.8,;-6.32,-2.57,;-4.99,-1.8,;-4.99,-.26,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1c(CCO)cc2ccccc12 |r,wD:3.2,6.9,(7.66,-1.6,;6.57,-2.69,;6.97,-4.18,;5.08,-2.29,;4.68,-.8,;3.19,-.4,;2.11,-1.49,;2.5,-2.98,;3.99,-3.38,;.62,-1.09,;-.47,-2.18,;-1.96,-1.78,;-2.36,-.3,;-1.27,.79,;.22,.39,;-3.84,.1,;-4.47,1.51,;-3.7,2.84,;-2.16,2.84,;-1.39,4.18,;-6,1.35,;-6.32,-.16,;-7.66,-.93,;-7.66,-2.47,;-6.32,-3.24,;-4.99,-2.47,;-4.99,-.93,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1c(CNC(C)=O)cc2ccccc12 |r,wD:3.2,6.9,(7.66,-2.27,;6.57,-3.36,;6.97,-4.84,;5.08,-2.96,;4.68,-1.47,;3.19,-1.07,;2.11,-2.16,;2.5,-3.65,;3.99,-4.05,;.62,-1.76,;-.47,-2.85,;-1.96,-2.45,;-2.36,-.96,;-1.27,.12,;.22,-.27,;-3.84,-.57,;-4.47,.84,;-3.7,2.18,;-2.16,2.18,;-1.39,3.51,;.15,3.51,;-2.16,4.84,;-6,.68,;-6.32,-.83,;-7.66,-1.6,;-7.66,-3.14,;-6.32,-3.91,;-4.99,-3.14,;-4.99,-1.6,)|
CCOC(=O)NCc1cc2ccccc2n1C1CCN(CC1)[C@@H]1CC[C@@H](CC1)C(C)C |r,wD:25.31,22.24,(2.46,2.18,;.92,2.18,;.15,3.51,;-1.39,3.51,;-2.16,4.84,;-2.16,2.18,;-3.7,2.18,;-4.47,.84,;-6,.68,;-6.32,-.83,;-7.66,-1.6,;-7.66,-3.14,;-6.32,-3.91,;-4.99,-3.14,;-4.99,-1.6,;-3.84,-.57,;-2.36,-.96,;-1.96,-2.45,;-.47,-2.85,;.62,-1.76,;.22,-.27,;-1.27,.13,;2.11,-2.16,;3.19,-1.07,;4.68,-1.47,;5.08,-2.96,;3.99,-4.05,;2.5,-3.65,;6.57,-3.36,;7.66,-2.27,;6.97,-4.84,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1c(CNS(C)(=O)=O)cc2ccccc12 |r,wD:3.2,6.9,(7.66,-2.37,;6.57,-3.46,;6.97,-4.95,;5.08,-3.06,;4.68,-1.57,;3.19,-1.18,;2.11,-2.26,;2.5,-3.75,;3.99,-4.15,;.62,-1.87,;-.47,-2.95,;-1.96,-2.56,;-2.36,-1.07,;-1.27,.02,;.22,-.38,;-3.84,-.67,;-4.47,.74,;-3.7,2.07,;-2.16,2.07,;-1.39,3.4,;.15,3.4,;-1.39,4.95,;-2.72,4.18,;-6,.58,;-6.32,-.93,;-7.66,-1.7,;-7.66,-3.24,;-6.32,-4.01,;-4.99,-3.24,;-4.99,-1.7,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1c(CNS(N)(=O)=O)cc2ccccc12 |r,wD:3.2,6.9,(7.66,-2.37,;6.57,-3.46,;6.97,-4.95,;5.08,-3.06,;4.68,-1.57,;3.19,-1.18,;2.11,-2.26,;2.5,-3.75,;3.99,-4.15,;.62,-1.87,;-.47,-2.95,;-1.96,-2.56,;-2.36,-1.07,;-1.27,.02,;.22,-.38,;-3.84,-.67,;-4.47,.74,;-3.7,2.07,;-2.16,2.07,;-1.39,3.4,;.15,3.4,;-2.72,4.18,;-1.39,4.95,;-6,.58,;-6.32,-.93,;-7.66,-1.7,;-7.66,-3.24,;-6.32,-4.01,;-4.99,-3.24,;-4.99,-1.7,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1c(CN2CCS(=O)(=O)CC2)cc2ccccc12 |r,wD:3.2,6.9,(7.66,-3.7,;6.57,-4.79,;6.97,-6.28,;5.08,-4.39,;4.68,-2.91,;3.19,-2.51,;2.11,-3.6,;2.5,-5.09,;3.99,-5.48,;.62,-3.2,;-.47,-4.29,;-1.96,-3.89,;-2.36,-2.4,;-1.27,-1.31,;.22,-1.71,;-3.84,-2,;-4.47,-.6,;-3.7,.74,;-4.47,2.07,;-6.01,2.07,;-6.78,3.4,;-6.01,4.74,;-6.01,6.28,;-7.34,5.51,;-4.47,4.74,;-3.7,3.4,;-6,-.76,;-6.32,-2.26,;-7.66,-3.03,;-7.66,-4.57,;-6.32,-5.34,;-4.99,-4.57,;-4.99,-3.03,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1c(CN2CCCC2)cc2ccccc12 |r,wD:3.2,6.9,(7.66,-2.82,;6.57,-3.91,;6.97,-5.39,;5.08,-3.51,;4.68,-2.02,;3.19,-1.62,;2.11,-2.71,;2.5,-4.2,;3.99,-4.6,;.62,-2.31,;-.47,-3.4,;-1.96,-3,;-2.36,-1.52,;-1.27,-.43,;.22,-.82,;-3.84,-1.12,;-4.47,.29,;-3.7,1.62,;-4.47,2.96,;-6,3.12,;-6.32,4.62,;-4.99,5.39,;-3.84,4.36,;-6,.13,;-6.32,-1.38,;-7.66,-2.15,;-7.66,-3.69,;-6.32,-4.46,;-4.99,-3.69,;-4.99,-2.15,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1c(CNC(=O)c2cccnc2)cc2ccccc12 |r,wD:3.2,6.9,(7.66,-2.27,;6.57,-3.36,;6.97,-4.84,;5.08,-2.96,;4.68,-1.47,;3.19,-1.07,;2.11,-2.16,;2.5,-3.65,;3.99,-4.05,;.62,-1.76,;-.47,-2.85,;-1.96,-2.45,;-2.36,-.96,;-1.27,.12,;.22,-.27,;-3.84,-.57,;-4.47,.84,;-3.7,2.18,;-2.16,2.18,;-1.39,3.51,;-2.16,4.84,;.15,3.51,;.92,2.18,;2.46,2.18,;3.23,3.51,;2.46,4.84,;.92,4.84,;-6,.68,;-6.32,-.83,;-7.66,-1.6,;-7.66,-3.14,;-6.32,-3.91,;-4.99,-3.14,;-4.99,-1.6,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1c(CNC(=O)c2cnco2)cc2ccccc12 |r,wD:3.2,6.9,(7.66,-2.27,;6.57,-3.36,;6.97,-4.84,;5.08,-2.96,;4.68,-1.47,;3.19,-1.07,;2.11,-2.16,;2.5,-3.65,;3.99,-4.05,;.62,-1.76,;-.47,-2.85,;-1.96,-2.45,;-2.36,-.96,;-1.27,.13,;.22,-.27,;-3.84,-.57,;-4.47,.84,;-3.7,2.18,;-2.16,2.18,;-1.39,3.51,;-2.16,4.84,;.15,3.51,;.92,4.84,;2.45,4.5,;2.6,3,;1.18,2.38,;-6,.68,;-6.32,-.83,;-7.66,-1.6,;-7.66,-3.14,;-6.32,-3.91,;-4.99,-3.14,;-4.99,-1.6,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1c(CNC(=O)c2ccc(o2)C(F)(F)F)cc2ccccc12 |r,wD:3.2,6.9,(7.66,-3.38,;6.57,-4.47,;6.97,-5.96,;5.08,-4.07,;4.68,-2.58,;3.19,-2.19,;2.11,-3.27,;2.5,-4.76,;3.99,-5.16,;.62,-2.88,;-.47,-3.96,;-1.96,-3.57,;-2.36,-2.08,;-1.27,-.99,;.22,-1.39,;-3.84,-1.68,;-4.47,-.27,;-3.7,1.06,;-2.16,1.06,;-1.39,2.39,;-2.16,3.73,;.15,2.39,;1.19,1.27,;2.6,1.89,;2.45,3.38,;.92,3.73,;3.54,4.47,;3.14,5.96,;5.03,4.07,;4.63,5.56,;-6,-.43,;-6.32,-1.94,;-7.66,-2.71,;-7.66,-4.25,;-6.32,-5.02,;-4.99,-4.25,;-4.99,-2.71,)|
CCCN1CCN(CC1)c1ccc2CCCC(N(C)C(=O)OCc3ccccc3)c2c1
CN(C)C(CNC(=O)c1cc2ccccc2s1)c1ccc(C)cc1
[#6]-[#6]1-[#6]-2-[#6]-c3ccc(-[#8])cc3C1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
[#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1|
Cc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1C(F)(F)F
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2cc(NC(N)=N)ccc12)ccc3O |r,TLB:10:9:17:4.5.6|
O=C1CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CCN1 |r|
c1cc(cc(c1)I)C(=O)N[C@@H]2C=C[C@H]3[C@H]4Cc5ccc(c6c5[C@]3([C@H]2O6)CCN4CC7CC7)O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cc[n+](Cc2ccccc2)cc1)ccc3O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CCC2=O)OCCCc1ccccc1)ccc3O |r,THB:10:9:4.5.6:14|
NC(=N)NCCCC1=NCCc2cc(O)c(O)cc12
CN(C(=O)CCc1ccoc1)[C@H]1CC[C@@]2(O)[C@H]3Cc4cccc5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
O=C(CCc1ccoc1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4cccc5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
CN(C(=O)CCc1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4cccc5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
O=C(CCc1ccoc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4cccc5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
CN(C(=O)CCc1ccoc1)[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
CN(C(=O)CCc1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
CN(C(=O)CCc1ccco1)[C@H]1CC[C@@]2(O)[C@H]3Cc4cccc5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
O=C(CCc1ccco1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4cccc5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
CN(C(=O)CCc1ccco1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4cccc5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
O=C(CCc1ccco1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4cccc5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
CN(C(=O)CCc1ccco1)[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
CN(C(=O)CCc1ccco1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
CN(C(=O)/C=C/c1ccco1)[C@H]1CC[C@@]2(O)[C@H]3Cc4cccc5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
O=C(/C=C/c1ccco1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4cccc5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
CN(C(=O)/C=C/c1ccco1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4cccc5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
O=C(/C=C/c1ccco1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4cccc5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
CN(C(=O)/C=C/c1ccco1)[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
O=C(/C=C/c1ccco1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccco1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19|
O=C(/C=C/c1ccco1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
O=C(CN1CCCCC1)NCC1(Cc2cccc3ccccc23)CCN(Cc2ccccc2)CC1
O=C(CN1CCC(Cc2ccccc2)CC1)NCC1(Nc2cccc3ccccc23)CCN(Cc2ccccc2)CC1
O=C(CCN1CCCCC1)NCC1(Cc2cccc3ccccc23)CCN(Cc2ccccc2)CC1
C[C@H](c1ccc(F)c(F)c1)n1cnc2sc3c(c2c1=O)CCNC3
O=C(c1ccccc1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
O=C(Cc1ccccc1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
O=C(CCc1ccccc1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
O=C(c1ccco1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
O=C(Cc1ccco1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
O=C(CCc1ccco1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
O=C(c1ccoc1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
O=C(Cc1ccoc1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
O=C(CCc1ccoc1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
O=C(c1cccs1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
O=C(Cc1cccs1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
O=C(CCc1cccs1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
O=C(c1ccsc1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
O=C(Cc1ccsc1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
O=C(CCc1ccsc1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
O=C(c1ccc[nH]1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
O=C(c1cc[nH]c1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4ccccc4N)[C@@H](C2)N(CC2CC2)CC[C@]315
CNc1ccccc1[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(OC)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5
COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4ccccc4NCC4CC4)[C@@H](C2)N(CC2CC2)CC[C@]315
COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4ccccc4NCC4CCCC4)[C@@H](C2)N(CC2CC2)CC[C@]315
COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4ccccc4NCC4CCN(C(=O)OC(C)(C)C)CC4)[C@@H](C2)N(CC2CC2)CC[C@]315
COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4ccccc4NCc4ccccc4)[C@@H](C2)N(CC2CC2)CC[C@]315
COc1ccc(CNc2ccccc2[C@H]2C[C@@]34CC[C@]2(OC)[C@@H]2Oc5c(OC)ccc6c5[C@@]23CCN(CC2CC2)[C@@H]4C6)cc1
COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4ccccc4N(C)Cc4ccc(C(F)(F)F)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315
COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4ccccc4NC(=O)C(C)(C)C)[C@@H](C2)N(CC2CC2)CC[C@]315
COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4ccccc4NC(=O)C4CC4)[C@@H](C2)N(CC2CC2)CC[C@]315
COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4ccccc4NC(=O)c4ccccc4)[C@@H](C2)N(CC2CC2)CC[C@]315
COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4ccccc4NC(=O)c4ccc(C)c(C)c4)[C@@H](C2)N(CC2CC2)CC[C@]315
COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4ccccc4NC(=O)c4ccc(Cl)c(Cl)c4)[C@@H](C2)N(CC2CC2)CC[C@]315
COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4ccccc4NC(=O)c4ccccc4O)[C@@H](C2)N(CC2CC2)CC[C@]315
COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4ccccc4NC(=O)c4ccc6[nH]ccc6c4)[C@@H](C2)N(CC2CC2)CC[C@]315
COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4ccccc4NC(=O)Cc4ccccc4)[C@@H](C2)N(CC2CC2)CC[C@]315
COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4ccccc4NC(=O)Cc4ccc(C)c(C)c4)[C@@H](C2)N(CC2CC2)CC[C@]315
COc1ccc2cc([C@H](C)C(=O)Nc3ccccc3[C@H]3C[C@@]45CC[C@]3(OC)[C@@H]3Oc6c(OC)ccc7c6[C@@]34CCN(CC3CC3)[C@@H]5C7)ccc2c1
COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4c4ccccc4NC(=O)OCc4ccccc4)[C@@H](C2)N(CC2CC2)CC[C@]315
N[C@@]12CCC(=O)C3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)C2C5
O=C1CC[C@]23C4[C@@H](CN(CC5CC5)C[N@@]42)[C@]32c3cccc(O)c3OC12
O=C1CC[C@@]23C4Cc5ccc(O)c6c5[C@@]2(CCN3CN4CCc2ccccc2)C1O6
CN1CN2CC[C@]34c5c6ccc(O)c5OC3C(=O)CC[C@]24C1C6
CC(=O)C(C(C)=O)=C1N(CC2CC2)C2Cc3ccc(O)c4c3[C@]35CCN1[C@]23CCC(=O)C5O4
CC(=O)/C=C1/NC2Cc3ccc(O)c4c3[C@]35CCN1[C@]23CCC(=O)C5O4
C[C@H](O)C[C@H]1NC2Cc3ccc(O)c4c3[C@]35CCN1[C@]23CCC(=O)C5O4
C[C@@H](O)C[C@H]1NC2Cc3ccc(O)c4c3[C@]35CCN1[C@]23CCC(=O)C5O4
CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
CN(C)CC1CC(N(Cc2ccccc2)S(=O)(=O)c2cccc(Cl)c2)CCC1(O)c1cccc(O)c1
COc1ccc2c3c1O[C@H]1[C@@]4(OC)C=C[C@@]5(C[C@@H]4C(=O)c4ccc(N)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315
COc1ccc2c3c1O[C@H]1[C@@]4(OC)C=C[C@@]5(C[C@@H]4C(=O)c4ccc(NCc6ccccc6)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315
COc1ccc2c3c1O[C@H]1[C@@]4(OC)C=C[C@@]5(C[C@@H]4C(=O)c4ccc(NC(C)=O)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315
COc1ccc2c3c1O[C@H]1[C@@]4(OC)C=C[C@@]5(C[C@@H]4C(=O)c4ccc(NC(=O)C6CC6)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315
COc1ccc2c3c1O[C@H]1[C@@]4(OC)C=C[C@@]5(C[C@@H]4C(=O)c4ccc(NC(=O)C(C)(C)C)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315
CCCC(CCC)C(=O)Nc1ccc(C(=O)[C@H]2C[C@@]34C=C[C@]2(OC)[C@@H]2Oc5c(OC)ccc6c5[C@@]23CCN(CC2CC2)[C@@H]4C6)cc1
COc1ccc2c3c1O[C@H]1[C@@]4(OC)C=C[C@@]5(C[C@@H]4C(=O)c4ccc(NC(=O)c6ccccc6)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315
COc1ccc2c3c1O[C@H]1[C@@]4(OC)C=C[C@@]5(C[C@@H]4C(=O)c4ccc(NC(=O)c6ccc(C)c(C)c6)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315
COc1ccc2c3c1O[C@H]1[C@@]4(OC)C=C[C@@]5(C[C@@H]4C(=O)c4ccc(NC(=O)c6ccc(C(F)(F)F)cc6)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315
COc1ccc(C(=O)Nc2ccc(C(=O)[C@H]3C[C@@]45C=C[C@]3(OC)[C@@H]3Oc6c(OC)ccc7c6[C@@]34CCN(CC3CC3)[C@@H]5C7)cc2)cc1
COc1cccc(C(=O)Nc2ccc(C(=O)[C@H]3C[C@@]45C=C[C@]3(OC)[C@@H]3Oc6c(OC)ccc7c6[C@@]34CCN(CC3CC3)[C@@H]5C7)cc2)c1
COc1ccc2c3c1O[C@H]1[C@@]4(OC)C=C[C@@]5(C[C@@H]4C(=O)c4ccc(NC(=O)c6cccnc6)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315
COc1ccc2c3c1O[C@H]1[C@@]4(OC)C=C[C@@]5(C[C@@H]4C(=O)c4ccc(NC(=O)c6ccncc6)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315
COc1ccc2c3c1O[C@H]1[C@@]4(OC)C=C[C@@]5(C[C@@H]4C(=O)c4ccc(NC(=O)c6ccsc6)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315
COc1ccc2c3c1O[C@H]1[C@@]4(OC)C=C[C@@]5(C[C@@H]4C(=O)c4ccc(NC(=O)c6cnn(C)c6)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315
COc1ccc2c3c1O[C@H]1[C@@]4(OC)C=C[C@@]5(C[C@@H]4C(=O)c4ccc(NC(=O)Cc6ccccc6)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315
COc1ccc2c3c1O[C@H]1[C@@]4(OC)C=C[C@@]5(C[C@@H]4C(=O)c4ccc(NC(=O)Cc6ccc(C)c(C)c6)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315
COc1ccc(CC(=O)Nc2ccc(C(=O)[C@H]3C[C@@]45C=C[C@]3(OC)[C@@H]3Oc6c(OC)ccc7c6[C@@]34CCN(CC3CC3)[C@@H]5C7)cc2)cc1
COc1ccc2c3c1O[C@H]1[C@@]4(OC)C=C[C@@]5(C[C@@H]4C(=O)c4ccc(NC(=O)OCc6ccccc6)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42C=C[C@@]1(OC)C(C(=O)c1ccccc1)C2
[H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC(C3CCCC3)C3CCCC3)nc(Cl)nc12 |r|
NC(=O)C1(Nc2ccccc2)CCN(CCc2ccc(S(N)(=O)=O)cc2)CC1