9491 SMILES Strings for Sodium-dependent serotonin transporter

Compound Name
SMILES String
Cc1nc(C(=O)NCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
c1ccc(cc1)CCCN2CCN(CC2)CCOC(c3ccc(cc3)F)c4ccc(cc4)F
C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
O[C@@H](CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 |r|
O[C@H](CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 |r|
O[C@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
O[C@@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
O[C@H](CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 |r|
O[C@@H](CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 |r|
C[C@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
C[C@@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
N[C@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
N[C@@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
CO[C@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
CO[C@@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
F[C@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
F[C@@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
Fc1ccc(cc1)C(OCCN1CCN(CCC(=O)c2ccccc2)CC1)c1ccc(F)cc1
O=C(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
Fc1ccc(cc1)C(OCCN1CCN(CCC(=C)c2ccccc2)CC1)c1ccc(F)cc1
C=C(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
CC(O)(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
CC(O)(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
Fc1ccc(cc1)C(OCCN1CCN(CC(=O)Cc2ccccc2)CC1)c1ccc(F)cc1
O=C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Fc1ccc(cc1)C(OCCN1CCN(CC(=C)Cc2ccccc2)CC1)c1ccc(F)cc1
C=C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
CC(O)(CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
CC(O)(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Fc1ccc(cc1)C(OCCN1CCN(CC(=O)c2ccccc2)CC1)c1ccc(F)cc1
O=C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
FC[C@H](Cc1ccccc1)N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 |r|
FC[C@@H](Cc1ccccc1)N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 |r|
Fc1ccc(cc1)C(OCCN1CCN(CCc2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(CC2=Cc3ccccc3CC2)CC1)c1ccc(F)cc1 |t:17|
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccccc1)N2C |TLB:18:17:6.7:10.9.4|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccccc1 |TLB:0:1:4.3:7.8.6|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(F)cc1 |TLB:0:1:4.3:7.8.6|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(Cl)cc1 |TLB:0:1:4.3:7.8.6|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(Br)cc1 |TLB:0:1:4.3:7.8.6|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1cccc(Br)c1 |TLB:0:1:4.3:7.8.6|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(cc1)[N+]([O-])=O |TLB:0:1:4.3:7.8.6|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1cccc(c1)[N+]([O-])=O |TLB:0:1:4.3:7.8.6|
COc1ccc(cc1)-c1cnc(s1)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2C |TLB:28:27:15.16:19.18.13|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(Cl)c(Cl)c1 |TLB:0:1:4.3:7.8.6|
COc1ccc(cc1OC)-c1cnc(s1)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2C |TLB:30:29:17.18:21.20.15|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1ccc(F)cc1 |TLB:0:1:4.3:7.8.6|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1ccc(Cl)cc1 |TLB:0:1:4.3:7.8.6|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1cccc(Br)c1 |TLB:0:1:4.3:7.8.6|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1ccc(cc1)[N+]([O-])=O |TLB:0:1:4.3:7.8.6|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1cccc(c1)[N+]([O-])=O |TLB:0:1:4.3:7.8.6|
COc1ccc(cc1)-c1cnc(s1)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C |TLB:28:27:15.16:19.18.13|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1ccc(Cl)c(Cl)c1 |TLB:0:1:4.3:7.8.6|
COc1ccc(cc1OC)-c1cnc(s1)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C |TLB:30:29:17.18:21.20.15|
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)c1ccccc1)N2C |@@:20|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1ccc(Br)cc1 |TLB:0:1:4.3:7.8.6|
CC1CN(CCN1CCCCN1C(=O)c2ccccc2C1=O)c1ccc2ccccc2n1
CC1CN(CCN1CCCCN1C(=O)CCCC1=O)c1ccc2ccccc2n1
CC1CN(CCN1CCCN1C(=O)c2ccccc2C1=O)c1ccc2ccccc2n1
CC1CN(CCN1CCCCN1C(=O)CC2(CCCC2)CC1=O)c1ccc2ccccc2n1
O=C1N(CCCCN2CCN(CC2)c2ccc3ccccc3n2)C(=O)c2ccccc12
O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ccc2ccccc2n1
CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2ccc3ccccc3n2)C(=O)C1
CNCC[C@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F
COc1ccc(F)cc1CCC1CCC(CCN)O1
COc1ccc(F)cc1CCCC1CCC(CCN)O1
COc1ccc(cc1OC)C1=NNC(=O)C2CC=CCC12 |c:18,t:11|
COc1ccc(cc1OC)C1=NN(CCCCCBr)C(=O)C2CC=CCC12 |c:24,t:11|
COc1ccc(F)c(CCC2CCC(CCNCCCCCN3N=C(C4CC=CCC4C3=O)c3ccc(OC)c(OC)c3)O2)c1 |c:23,27|
COc1ccc(F)c(CCCC2CCC(CCNCCCCCN3N=C(C4CC=CCC4C3=O)c3ccc(OC)c(OC)c3)O2)c1 |c:24,28|
CNCCC1CCC(CCc2cc(F)ccc2OC)O1
NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCc1ccccc1 |w:14.15|
NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
C[C@@H](Cc1ccccc1)N
CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
COc1ccc2C(CN(C)Cc2c1)c1ccc(Cl)c(Cl)c1
c1cc(c(cc1CCN)O)O
CN[C@H]1C[C@@H](c2ccccc12)c1ccc(Cl)c(Cl)c1 |r|
COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1
CN1Cc2c(cccc2N)[C@@H](C1)c3ccccc3
NCC(O)c1ccc(O)c(O)c1
CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
C(CN1CCN(C\C=C\c2ccccc2)CC1)OC(c1ccccc1)c1ccccc1
CN(C)C[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)c(Cl)c1 |wU:11.13,4.3,TLB:12:11:6.7:10.9,THB:3:4:6.7:10.9,(4.42,-5.07,;3.76,-3.67,;2.22,-3.53,;4.65,-2.41,;4,-1.01,;5.68,-.26,;5.79,1.35,;5.19,2.75,;5.16,1.21,;6.61,.69,;7.15,-.75,;3.76,.53,;2.43,1.3,;1.1,.53,;-.23,1.3,;-.23,2.84,;-1.58,3.63,;1.1,3.61,;1.1,5.15,;2.43,2.84,)|
CNCCC(Oc1ccccc1OC)c1ccccc1
CNCCCC1(SC(C)(C)c2ccccc12)c1ccccc1
COCCCCC(=NOCCN)c1ccc(Cl)cc1 |w:7.7|
COc1ccc(OC[C@H]2CN(C)CC[C@@H]2c2ccccc2)cc1
COCCCC/C(=N\OCCN)/c1ccc(cc1)C(F)(F)F
C(Cc1c[nH]c2ccccc12)C1CCNCC1
CSc1ccc(cc1)C1CN2CCCC2c2ccccc12
CSc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
CSc1ccc(cc1)[C@H]1CN2CCC[C@H]2c2ccccc12 |r|
CSc1ccc(cc1)[C@H]1CN2CCCC2c2ccccc12 |r|
c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)F
CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
Clc1cccc(c1)N1CCN(CCCn2nc3ccccn3c2=O)CC1
CN(C)C\C=C(\c1ccc(Br)cc1)c1cccnc1
CN1CCc2cccc-3c2[C@H]1Cc4c3c(c(cc4)O)O
CNCCCN1c2ccccc2CCc3c1cccc3
CN(C)CCCN1c2ccccc2CCc3c1cccc3
CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3cn(c4c3c(ccc4)C2=C1)C)C
CNC\C=C(\c1ccc(Br)cc1)c1cccnc1
CC(C)NC[C@@H](COc1cccc2c1cccc2)O
c1ccc(cc1)N2CNC(=O)C23CCN(CC3)CCCC(=O)c4ccc(cc4)F
CN(C)C\C=C(/c1ccc(Br)cc1)c1cccnc1
CN1CCN2c3ccccc3Cc4ccccc4[C@H]2C1
CN1CCN2C(C1)c1ccccc1Cc1cccnc21
COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
CNCCC(Oc1ccccc1C)c1ccccc1
CN(C)CCCN1c2ccccc2CCc3c1cc(cc3)Cl
CN[C@@H]1CC[C@@H](c2ccccc2)c2ccccc12
CN[C@@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
CN[C@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
N[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
[#6]-[#7]-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
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|
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
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|
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
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
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
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
[#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1 |t:13|
CNC(CC(C)C)C1(CCC1)c1ccc(Cl)cc1
CC(C)CC(N)C1(CCC1)c1ccc(Cl)cc1
CN(C)CCC=C1c2ccccc2CSc2ccccc12 |w:5.4|
CN(C)CC/C=C\1/c2ccccc2COc3c1cccc3
CCNC(C)Cc1cccc(c1)C(F)(F)F
CNC1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
c1ccc(cc1)[C@H](CCN)Oc2ccc(cc2)C(F)(F)F
C[NH2+]CCC=C1c2ccccc2CSc2ccccc12 |w:4.3|
CC(C)CC(N(C)C)C1(CCC1)c1ccc(Cl)cc1
CNCC[C@@H](Oc1cccc2ccccc12)c1cccs1 |r|
CNCC[C@@H](c1cccs1)Oc2cccc3c2cccc3
S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
CN(C)CCCn1c2CCCCCCc2c2ccccc12
CNCCCC12CCC(c3ccccc13)c1ccccc21 |TLB:10:9:6.7:20.15,16:15:6.7:14.9,THB:13:14:6.7:20.15,19:20:6.7:14.9|
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
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c3ccc(cc3)I)C(=O)OC
CC(O)c1nn(CCCN2CCN(CC2)c2ccc(Cl)cc2)c(=O)n1CCOc1ccccc1
Clc1cccc(c1)N1CCNCC1
CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Clc1cccc(c1)N1CCN(CCCn2[nH]c(=O)n(CCOc3ccccc3)c2=O)CC1
CC(CC1c2ccccc2CCc2ccccc12)CN(C)C
CNCCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CC
CC(C)NNC(=O)c1ccncc1
CN(CCCN1c2ccccc2CCc2ccccc12)CC(=O)c1ccc(Cl)cc1
CNCC(O)CC12CCC(c3ccccc13)c1ccccc21 |TLB:17:16:7.8:10.15,11:10:7.8:16.21,THB:20:21:7.8:10.15,(4.63,-9.46,;4.63,-7.92,;3.3,-7.14,;3.31,-5.6,;4.82,-5.29,;1.98,-4.82,;1.99,-3.28,;2.25,-1.34,;1.79,-.21,;1.72,-1.89,;3.1,-2.51,;4.26,-1.49,;5.72,-1.98,;6.02,-3.49,;4.86,-4.51,;3.4,-4.02,;.22,-2.54,;-1.21,-1.97,;-2.42,-2.92,;-2.2,-4.44,;-.77,-5.02,;.44,-4.07,)|
NNCCc1ccccc1
CNCCCC1c2ccccc2C=Cc2ccccc12 |c:13|
c1ccc(cc1)[C@@H]2C[C@H]2N
CC(CN(C)C)CN1c2ccccc2CCc2ccccc12
CCOc1ccccc1OCC1CNCCO1
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(O)=O |TLB:9:7:1:4.3,THB:0:1:7.6.8:4.3,16:6:1:4.3|
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2 |TLB:2:4:18:6.7,THB:11:10:18:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2C |THB:11:10:19:6.7,2:4:19:6.7|
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)c(C)c1)N2C |r,TLB:20:19:6.7:4.10.9|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)Oc1ccccc1 |TLB:9:7:1:4.3,THB:16:6:1:4.3|
CC(C)OC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(Cl)cc1)N2C |TLB:21:20:6.12.11:8.9,THB:4:6:20:8.9,13:12:20:8.9|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)C(=O)Oc1ccccc1 |TLB:9:7:1:4.3,THB:16:6:1:4.3|
CC(C)OC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C |TLB:21:20:6.12.11:8.9,THB:4:6:20:8.9,13:12:20:8.9|
CN1[C@@H]2CCC1C([C@H](C2)c1ccc(Cl)cc1)C(=O)N1CCCC1 |TLB:16:6:1:4.3,9:7:1:4.3,THB:0:1:6.7.8:4.3|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(I)cc1)C(=O)N1CCCC1 |r,TLB:0:1:7.8.6:3.4|
COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(N)cc1)N2C |TLB:19:18:4.10.9:6.7|
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2C |TLB:2:4:18:6.7,THB:11:10:18:6.7|
COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7,19:18:4.10.9:6.7|
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Br)cc1)N2C |TLB:2:4:18:6.7,THB:11:10:18:6.7|
Fc1cccc2OC3CNCC3Oc12
COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
NC1=NCC(O1)c1ccccc1 |t:1|
CC(C)(N)Cc1ccc(Cl)cc1
C[NH2+][C@@H](C)[C@H](O)c1ccccc1
c1ccc2c(c1)C3=NCCN3[C@]2(c4ccc(cc4)Cl)O
C[C@@H](Cc1ccc2c(c1)OCO2)NC
C[C@@H](Cc1ccccc1)NC
CC(C)(N)Cc1ccccc1
c1cc(ccc1CCN)O
CCOc1ccccc1O[C@@H](c2ccccc2)[C@@H]3CNCCO3
COc1ccc2CC(CN(C)C)(c2c1)C1(O)CCCCC1
CC(CF)NCC(O)COc1cccc2[nH]c3ccccc3c12
CCCN(C(C)C)[C@H]1COc2cccc(C(N)=O)c2C1
COC(=O)[C@@H]([C@@H]1CCCCN1)c1cccc(Cl)c1 |r|
COC(=O)[C@@H]([C@@H]1CCCCN1C)c1cccc(Cl)c1 |r|
COC(=O)[C@@H]([C@@H]1CCCCN1)c1ccc(N)cc1 |r|
COC(=O)[C@@H]([C@@H]1CCCCN1)c1ccc(F)cc1 |r|
COC(=O)[C@@H]([C@@H]1CCCCN1)c1ccc(C)cc1 |r|
COC(=O)[C@@H]([C@@H]1CCCCN1C)c1ccc(C)cc1 |r|
COC(=O)[C@@H]([C@@H]1CCCCN1)c1ccccc1 |r|
CCCCN1CCCC[C@H]1[C@H](C(=O)OC)c1ccccc1 |r|
COC(=O)[C@@H]([C@@H]1CCCCN1C)c1ccccc1 |r|
CCCCN1CCCC[C@H]1[C@H](CO)c1ccccc1 |r|
CCCCN1CCCC[C@H]1[C@H](COC)c1ccccc1 |r|
COC(=O)[C@H](c1ccccc1)[C@H]2CCCCN2
[#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
CNCC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1
CN(C)CCC[C@@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r|
N[C@H](CCS(O)(=O)=O)C(O)=O |r|
N[C@H](CCS(O)=O)C(O)=O |r|
N[C@@H]1CCSC1=O |r|
CSCC[C@H](C(=O)O)N
C(CS(=O)(=O)O)[C@@H](C(=O)O)N
C(CS)[C@@H](C(=O)O)N
C([C@H](C(=O)O)N)S(=O)(=O)O
C([C@@H](C(=O)O)N)S
NC(CS(O)=O)C(O)=O
NC(CSSCC(N)C(O)=O)C(O)=O
C(CS(=O)(=O)O)[C@@H](C(=O)O)N
N[C@H]1CCSC1=O |r|
C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)OC
CN1CCC([C@@H](C1)C(O)=O)c1ccc(Cl)cc1 |r|
CC(N)Cc1ccc2OCOc2c1
C[C@@H](N)Cc1ccc2OCOc2c1 |r|
C[C@H](N)Cc1ccc2OCOc2c1 |r|
C[C@@H](Cc1ccc2c(c1)OCO2)NC
CN[C@H](C)Cc1ccc2OCOc2c1 |r|
CC(N)Cc1cccc(c1)C(F)(F)F
CC(N)C(=O)c1ccccc1
CNC(C)C(=O)c1ccccc1
CNCC[C@@H](c1cccs1)Oc2cccc3c2cccc3
CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)c2ccccc2
CN[C@H]1CC[C@H](c2c1cccc2)c3ccc(c(c3)Cl)Cl
Fc1ccc(cc1)C1CCNCC1COc1ccc2OCOc2c1
CN1[C@@H](CCc2ccccc2)CCC[C@H]1CCc1ccccc1 |r|
C[N@@]1[C@H](CCC[C@H]1CC(=O)c2ccccc2)C[C@H](c3ccccc3)O
CN1[C@@H](CCC[C@@H]1\C=C\c1ccccc1)\C=C\c1ccccc1
CC(N)Cc1cc(O)c(O)c(SC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)c1
CCCCCCCCC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1 |w:8.7|
CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)Cc1ccccc1 |r,w:8.7|
CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1cc(I)c(O)c(OC)c1)OC(=O)Cc1ccccc1 |r,w:8.7|
CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1cc(OC)c(O)cc1I)OC(=O)Cc1ccccc1 |r,w:8.7|
CCCCCCCCC1OC1CCCCCCCC(=O)NCc1ccc(O)c(OC)c1
CCCCCCC(CCCCCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)Cc1ccccc1
CCCCCCC(C\C=C\CCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)Cc1ccccc1
CCCCCCC(CCC1OC1CCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)Cc1ccccc1
CCCCCC[C@@H](O)CC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1 |r,w:9.8|
CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(C)=O |r,w:8.7|
CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)c1ccccc1 |r,w:8.7|
OC(C1CCN(CCc2ccccc2)CC1)c1ccccc1
C1Cc2cccc(OC(C3CNCCO3)c3ccccc3)c2O1
Fc1ccc(OC(C2CNCCO2)c2ccccc2)c(Cl)c1
COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1
COc1cc(F)ccc1OC(C1CNCCO1)c1ccccc1
Cc1cc(F)ccc1OC(C1CNCCO1)c1ccccc1
Clc1cccc(OC(C2CNCCO2)c2ccccc2)c1Cl
Fc1cccc(OC(C2CNCCO2)c2ccccc2)c1F
COc1ccc(OC(C2CNCCO2)c2ccccc2)c(Cl)c1
COc1cc(ccc1OC(C1CNCCO1)c1ccccc1)C(F)(F)F
COc1cc(Br)ccc1OC(C1CNCCO1)c1ccccc1
COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1F
COc1cc(Cl)ccc1OC(C1CNCCO1)c1cccc(F)c1
COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccc(F)cc1
COc1cc(Cl)ccc1OC(C1CNCCO1)c1cccc(C)c1
COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1C
COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccc(C)cc1
COc1cc(ccc1OC(C1CNCCO1)c1ccccc1)C#N
CCOc1c(Cl)cccc1OC(C1CNCCO1)c1ccccc1
CCOc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1
CCOc1ccccc1OC(C1CNCCO1)c1ccccc1
Cc1ccc(cc1)C1CNCc2cc(ccc12)-c1cccnn1
Fc1cc2C(CNCc2cc1-c1ccc(=O)[nH]n1)c1ccc(Cl)c(Cl)c1
CN1CC(c2ccccc2C1)c1cccc2sccc12
CN1CC(c2ccc3ccccc3c2)c2c(C)cccc2C1
CN1CC(c2cc3ccccc3s2)c2ccc(cc2C1)-c1cnccn1
CN1CC(c2cc3ccccc3s2)c2ccc(cc2C1)N1CCOCC1
CN1CC(c2cc3ccccc3s2)c2ccc(cc2C1)N1CCCCC1
CN1Cc2ccccc2C(C1Cl)c1ccc2[nH]ncc2c1
CN1CC(c2ccc3cnsc3c2)c2ccccc2C1
CN1CC(c2ccc3ccccc3c2)c2ccc(cc2C1)-c1cccnn1
CC1NOC(C)C1c1ccc2C(CN(C)Cc2c1)c1ccc2ccccc2c1
CN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O
CCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O
CCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O
CCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O
CCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O
CCCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O
CCCCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O
CCCCCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O
CCCCCCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O
CCCCCCCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O
CCCCCCCCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O
CCCCCCCCCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O
c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4
CN1CCN(CC1)C2=Nc3cc(ccc3Nc4c2cccc4)Cl
CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
O=S(=O)c1ccccc1.COCCOc1cc(CC2CCN(CCc3ccc4OCCC(O)c4c3)CC2)ccc1Br
OCCOc1cc(CC2CCN(CCc3ccc4OCCC(O)c4c3)CC2)ccc1Br
Cl.COCCOc1cc(CC2CCN(CCc3ccc4OCC(O)C(=O)c4c3)CC2)ccc1Br
OCCOc1cc(CC2CCN(CCc3ccc4OCC(O)C(=O)c4c3)CC2)ccc1Br
OC1COc2ccc(CCN3CCC(Cc4ccc(Br)c(O)c4)CC3)cc2C1=O
Cl.COCCOc1cc(CC2CCN(CCc3ccc4occc(=O)c4c3)CC2)ccc1Br
Cl.OCCOc1cc(CC2CCN(CCc3ccc4occc(=O)c4c3)CC2)ccc1Br
Oc1cc(CC2CCN(CCc3ccc4OCCC(=O)c4c3)CC2)ccc1Br
Oc1cc(CC2CCN(CCc3ccc4occc(=O)c4c3)CC2)ccc1Br
COCCOc1cc(CC2CCN(CCc3ccc4OC(O)CC(=O)c4c3)CC2)ccc1Br
Cl.COCCOc1cc(CC2CCN(CC(O)c3ccc4OCCC(=O)c4c3)CC2)ccc1Br
Cl.COCCOc1cc(CC2CCNCC2)ccc1Br
OCCOc1cc(CC2CCNCC2)ccc1Br
Cl.OC1COc2ccc(CCN3CCC(Cc4ccc(Br)c(OCC(O)=O)c4)CC3)cc2C1=O
Cl.OC(=O)COc1cc(CC2CCN(CCc3ccc4occc(=O)c4c3)CC2)ccc1Br
Cl.OC(=O)COc1cc(CC2CCNCC2)ccc1Br
COCCOc1cc(CC2CCN(CCc3ccc4occ(O)c(=O)c4c3)CC2)ccc1Br
OC1CCOc2ccc(CCN3CCC(Cc4ccc(Br)c(O)c4)CC3)cc12
C1CN(CCN1)c1cccc2cccnc12
CCCc1nc(cn1-c1ccc(Cl)cc1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
CCCc1nc(cn1-c1ccc(Cl)cc1)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1Cl
Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
CCCc1nc(C(=O)NCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
CCc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
CC(C)Cn1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c1C
CC(C)Cn1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c1C
CC(C)Cn1c(C)nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c1C
CCCn1c(C)nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c1C
CCCn1c(C)nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2C)c1C
COc1ccccc1-n1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c1C |(15.99,-4.6,;15.99,-6.14,;14.65,-6.9,;13.32,-6.13,;11.97,-6.9,;11.98,-8.45,;13.32,-9.21,;14.64,-8.44,;15.98,-9.22,;16.45,-10.68,;15.68,-12.01,;17.99,-10.68,;18.47,-9.22,;19.8,-8.45,;19.8,-6.91,;21.14,-9.22,;22.47,-8.45,;23.8,-9.22,;25.14,-8.45,;26.47,-9.21,;27.79,-8.43,;29.12,-9.2,;29.13,-10.74,;27.8,-11.51,;26.45,-10.74,;30.46,-11.5,;31.79,-10.72,;33.13,-11.49,;33.14,-13.03,;31.8,-13.8,;31.8,-15.34,;30.47,-13.03,;29.13,-13.81,;17.22,-8.31,;17.22,-6.77,)|
COc1ccccc1-n1c(C)nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c1C |(-3.59,-10.98,;-4.5,-9.73,;-6.03,-9.89,;-6.66,-11.3,;-8.19,-11.46,;-9.09,-10.22,;-8.47,-8.81,;-6.93,-8.65,;-6.31,-7.24,;-7.08,-5.91,;-8.61,-5.75,;-6.05,-4.76,;-4.64,-5.39,;-3.31,-4.62,;-3.31,-3.08,;-1.97,-5.39,;-.64,-4.62,;.69,-5.39,;.69,-6.93,;2.03,-4.62,;3.36,-5.39,;4.7,-4.62,;6.03,-5.39,;6.03,-6.93,;4.7,-7.7,;3.36,-6.93,;7.36,-7.7,;7.36,-9.24,;8.7,-10.01,;10.03,-9.24,;10.03,-7.7,;11.36,-6.93,;8.7,-6.93,;8.7,-5.39,;-4.8,-6.92,;-3.66,-7.95,)|
Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1Cl |(16.51,-45.78,;17.28,-44.45,;18.82,-44.45,;19.3,-42.99,;20.64,-42.22,;20.64,-40.68,;21.97,-42.99,;23.3,-42.22,;24.64,-42.99,;25.97,-42.22,;27.3,-42.98,;28.62,-42.2,;29.95,-42.97,;29.96,-44.51,;28.63,-45.28,;27.29,-44.52,;31.29,-45.27,;32.63,-44.49,;33.96,-45.26,;33.97,-46.8,;32.63,-47.57,;32.63,-49.11,;31.3,-46.81,;29.96,-47.58,;18.05,-42.08,;18.05,-40.54,;16.81,-42.99,;15.48,-42.21,;15.48,-40.67,;14.15,-39.9,;12.81,-40.67,;12.81,-42.22,;14.15,-42.98,;14.15,-44.52,)|
Cc1nc(C(=O)NCCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1Cl |(-7.07,-3.08,;-6.44,-4.49,;-4.93,-4.81,;-4.77,-6.34,;-3.44,-7.11,;-3.44,-8.65,;-2.1,-6.34,;-.77,-7.11,;.56,-6.34,;1.9,-7.11,;3.23,-6.34,;4.56,-7.11,;5.9,-6.34,;7.23,-7.11,;7.23,-8.65,;5.9,-9.42,;4.56,-8.65,;8.57,-9.42,;8.57,-10.96,;9.9,-11.73,;11.23,-10.96,;11.23,-9.42,;12.57,-8.65,;9.9,-8.65,;9.9,-7.11,;-6.18,-6.96,;-6.5,-8.47,;-7.21,-5.82,;-8.74,-5.98,;-9.65,-4.74,;-11.18,-4.9,;-11.8,-6.3,;-10.9,-7.55,;-9.37,-7.39,;-8.46,-8.63,)|
CC(C)c1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1
COc1cc(OC)cc(c1)-n1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c1C
CC(C)c1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1
CCc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1
CCCc1nc(cn1-c1ccc(Cl)cc1)C(=O)NCC(O)CN1CCN(CC1)c1cccc(C)c1C
COc1cc(OC)cc(c1)-n1c(C)nc(C(=O)NCCN2CCN(CC2)c2cccc(C)c2C)c1C
CC(C)c1nc(C(=O)NCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1
Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccn1
COc1ccc(cc1)-n1cc(nc1-c1ccccc1)C(=O)NCC(O)CN1CCN(CC1)c1cccc(Cl)c1Cl
COc1ccc(cc1)-n1cc(nc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccc(OC)cc1
CCCc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccc(OC)cc1
CCCc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc(OC)cc1
COc1ccc(cc1)-n1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c1C
Cc1nc(C(=O)NC[C@H](O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1 |r|
Cc1nc(C(=O)NC[C@H](O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1F |r,wU:8.8,(-5.84,-16.71,;-5.06,-15.38,;-3.52,-15.38,;-3.04,-13.92,;-1.71,-13.15,;-1.71,-11.61,;-.38,-13.92,;.96,-13.15,;2.29,-13.92,;2.29,-15.46,;3.62,-13.15,;4.95,-13.92,;6.28,-13.14,;7.61,-13.9,;7.62,-15.44,;6.28,-16.22,;4.94,-15.45,;8.95,-16.21,;10.28,-15.43,;11.62,-16.19,;11.62,-17.73,;10.28,-18.51,;10.28,-20.05,;8.95,-17.74,;7.62,-18.51,;-4.29,-13.01,;-4.3,-11.47,;-5.54,-13.92,;-6.87,-13.15,;-6.86,-11.61,;-8.2,-10.84,;-9.54,-11.6,;-9.53,-13.16,;-8.2,-13.92,;-8.19,-15.46,)|
CCCc1nc(cn1-c1ccc(Cl)cc1)C(=O)NC[C@H](O)CN1CCN(CC1)c1cccc(Cl)c1Cl
Cc1c(nc(-c2ccccc2)n1-c1ccc(F)cc1)C(=O)NC[C@H](O)CN1CCN(CC1)c1cccc(Cl)c1C |r|
CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccc(OC)cc1
COc1ccccc1-n1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c1C |(-6,-2.67,;-6,-4.21,;-7.34,-4.97,;-8.67,-4.2,;-10.01,-4.97,;-10.01,-6.52,;-8.67,-7.28,;-7.34,-6.51,;-6.01,-7.29,;-5.54,-8.75,;-6.31,-10.08,;-4,-8.75,;-3.52,-7.29,;-2.18,-6.52,;-2.18,-4.98,;-.85,-7.29,;.48,-6.52,;1.82,-7.29,;3.15,-6.52,;4.48,-7.28,;5.8,-6.5,;7.13,-7.27,;7.14,-8.81,;5.81,-9.58,;4.47,-8.82,;8.47,-9.57,;9.81,-8.79,;11.14,-9.56,;11.15,-11.1,;9.81,-11.87,;9.81,-13.41,;8.48,-11.11,;7.14,-11.88,;-4.77,-6.38,;-4.77,-4.84,)|
COc1ccccc1-n1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1C |(17.91,6.36,;17.91,4.82,;16.57,4.06,;15.24,4.83,;13.9,4.06,;13.9,2.51,;15.24,1.75,;16.56,2.52,;17.9,1.74,;18.37,.28,;17.46,-.96,;19.91,.28,;20.39,1.74,;21.72,2.51,;21.72,4.05,;23.06,1.74,;24.39,2.51,;25.73,1.74,;27.06,2.51,;28.39,1.75,;29.71,2.53,;31.04,1.76,;31.05,.22,;29.72,-.55,;28.37,.21,;32.38,-.54,;32.39,-2.08,;33.72,-2.84,;35.06,-2.07,;35.05,-.53,;36.38,.25,;33.71,.24,;33.71,1.78,;19.14,2.65,;19.14,4.19,)|
COc1ccccc1-n1c(C)nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2Cl)c1C |(16.81,-19.25,;16.8,-20.79,;15.47,-21.56,;14.13,-20.78,;12.79,-21.55,;12.79,-23.1,;14.13,-23.87,;15.46,-23.1,;16.79,-23.87,;17.27,-25.33,;16.49,-26.66,;18.81,-25.33,;19.29,-23.87,;20.62,-23.1,;20.62,-21.56,;21.95,-23.87,;23.29,-23.1,;24.62,-23.87,;24.62,-25.41,;25.95,-23.1,;27.28,-23.86,;28.61,-23.09,;29.94,-23.85,;29.95,-25.39,;28.61,-26.16,;27.27,-25.4,;31.28,-26.15,;32.61,-25.38,;33.95,-26.14,;33.95,-27.68,;32.61,-28.46,;32.61,-30,;31.28,-27.69,;29.95,-28.46,;18.04,-22.96,;18.03,-21.42,)|
Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc(C)cc1
Cc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc(C)cc1
Cc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccc2OCCOc2c1
Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccc2OCCOc2c1
Cc1nc(C(=O)NC[C@@H](O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1 |r|
Cc1nc(C(=O)NC[C@@H](O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1F |r,wD:8.8,(16.59,-9.13,;17.37,-7.8,;18.91,-7.8,;19.39,-6.34,;20.72,-5.57,;20.72,-4.03,;22.05,-6.34,;23.39,-5.57,;24.72,-6.34,;24.72,-7.88,;26.06,-5.57,;27.39,-6.33,;28.71,-5.55,;30.04,-6.32,;30.05,-7.86,;28.71,-8.63,;27.37,-7.87,;31.38,-8.62,;32.71,-7.84,;34.05,-8.61,;34.05,-10.15,;32.71,-10.92,;32.71,-12.46,;31.38,-10.16,;30.05,-10.93,;18.14,-5.43,;18.14,-3.89,;16.89,-6.34,;15.56,-5.56,;15.57,-4.03,;14.24,-3.25,;12.89,-4.02,;12.9,-5.57,;14.23,-6.34,;14.24,-7.88,)|
Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccccc1F |(13.53,.69,;14.3,2.02,;15.84,2.02,;16.32,3.49,;17.66,4.26,;17.66,5.8,;18.99,3.49,;20.32,4.26,;21.66,3.49,;22.99,4.26,;24.32,3.49,;25.64,4.27,;26.97,3.51,;26.98,1.96,;25.65,1.19,;24.31,1.96,;28.32,1.2,;29.65,1.98,;30.98,1.22,;30.99,-.33,;29.65,-1.1,;29.65,-2.64,;28.32,-.33,;26.99,-1.1,;15.07,4.39,;15.07,5.93,;13.83,3.49,;12.5,4.26,;12.5,5.8,;11.17,6.57,;9.83,5.8,;9.84,4.25,;11.17,3.49,;11.17,1.95,)|
Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1F |(-6.35,-24.32,;-5.44,-23.08,;-3.9,-23.08,;-3.43,-21.61,;-2.09,-20.84,;-2.09,-19.3,;-.76,-21.61,;.58,-20.84,;1.91,-21.61,;3.24,-20.84,;4.57,-21.61,;5.9,-20.83,;7.23,-21.59,;7.23,-23.13,;5.9,-23.91,;4.56,-23.14,;8.57,-23.9,;8.57,-25.43,;9.9,-26.2,;11.24,-25.43,;11.23,-23.88,;12.57,-23.11,;9.9,-23.12,;9.89,-21.58,;-4.67,-20.7,;-4.68,-19.16,;-5.92,-21.61,;-7.25,-20.84,;-8.58,-21.61,;-9.91,-20.85,;-9.91,-19.3,;-8.58,-18.53,;-7.24,-19.3,;-5.91,-18.54,)|
Cc1c(nc(-c2ccccc2)n1-c1ccccc1)C(=O)NCC(O)CN1CCN(CC1)c1cccc(C)c1C
Cc1c(nc(-c2ccccc2)n1-c1ccccc1)C(=O)NCC(O)CN1CCN(CC1)c1cccc(Cl)c1Cl
CN1CC2C[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
CN1CC2C[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
CCN1CC2C[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
CCN1CC2C[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
CCCN1CC2CC2(C1)c1ccc(Cl)c(Cl)c1
CCCN1CC2C[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
CCCN1CC2C[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
CCCCN1CC2CC2(C1)c1ccc(Cl)c(Cl)c1
CCCCN1CC2C[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
CCCCN1CC2C[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
CC(C)CN1CC2CC2(C1)c1ccc(Cl)c(Cl)c1
CC(C)N1CC2CC2(C1)c1ccc(Cl)c(Cl)c1
CC(C)N1CC2C[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
CC(C)N1CC2C[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
Clc1ccc(cc1Cl)C12CC1CN(C2)C1CC1
CC(C)(C)N1CC2CC2(C1)c1ccc(Cl)c(Cl)c1
CN1CC2CC2(C1)c1ccc(F)c(F)c1
Fc1ccc(cc1Cl)C12CC1CNC2
CN1CC2CC2(C1)c1ccc(F)c(Cl)c1
CN1CC2CC2(C1)c1ccc(Cl)cc1Cl
CN1CC2CC2(C1)c1ccc(F)c(C)c1
CN1CC2CC2(C1)c1ccc(C)c(F)c1
CN1CC2CC2(C1)c1ccc(c(Cl)c1)[N+]([O-])=O
CN1CC2CC2(C1)c1cc(Cl)c(cc1[N+]([O-])=O)[N+]([O-])=O
CN1CC2CC2(C1)c1ccc2ccccc2c1
CNc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(F)cc1
FC(F)(F)c1ccc(nn1)-c1ccc2C(CCNc2c1)c1ccc(Cl)cc1
Nc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(Cl)cc1
CC1(C)NCC(c2ccc(Cl)c(Cl)c2)c2ccc(cc12)-c1cnccn1
CC1(C)NCC(c2ccc(Cl)c(Cl)c2)c2ccc(cc12)-c1ccc(nn1)C(F)(F)F
FC(F)(F)c1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(Cl)c(Cl)c1
FC(F)Oc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(Cl)c(Cl)c1
CC1(C)NCC(c2ccc(Cl)c(Cl)c2)c2ccc(cc12)-c1ccc(N)nn1
Clc1ccc(cc1Cl)C1CNCc2cc(ccc12)-c1cccc(c1)C#N
CS(=O)(=O)c1ccc(cc1)-c1ccc2C(CNCc2c1)c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1Cl)C1CNCc2cc(ccc12)-n1ccccc1=O
Clc1ccc(cc1Cl)C1CNCc2cc(ccc12)-n1ncccc1=O
CS(=O)(=O)c1cccc(c1)-c1cc2CNCC(c3ccc(Cl)c(Cl)c3)c2cc1F
Cc1noc(C)c1-c1ccc2C(CNCc2c1)c1ccc(Cl)c(Cl)c1
NC(=O)c1ccc(cc1)-c1cc2CNCC(c3ccc(Cl)c(Cl)c3)c2cc1F
Fc1cc2C(CNCc2cc1-c1ccc(nn1)C(F)(F)F)c1ccc(Cl)c(Cl)c1
NC(=O)c1ccc(cc1)-c1cc2CNCC(c3ccc(Cl)cc3)c2cc1F
FC(F)Oc1ccc(nn1)-c1cc2CNCC(c3ccc(Cl)c(Cl)c3)c2cc1F
Clc1ccc(cc1Cl)C1CNCc2cc(ccc12)-c1cccnn1
Nc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(Cl)c(Cl)c1
CC1(C)NCC(c2ccc(Cl)cc2)c2ccc(cc12)-c1cnc(cn1)C(F)(F)F
Clc1ccc(cc1Cl)C1CNCc2cc(ccc12)-c1ccc2ncnn2c1
Fc1cc2C(CNCc2cc1-c1ccc2ncnn2c1)c1ccc(Cl)c(Cl)c1
CC1(C)NCC(c2ccc(Cl)c(Cl)c2)c2ccc(cc12)-c1ccc2ncnn2c1
COc1ccc2c(CN3CCC2(C3)c2ccc(Cl)cc2)c1
Oc1ccc2c(CN3CCC2(C3)c2ccc(Cl)cc2)c1
Clc1ccc(cc1)C12CCN(C1)Cc1cc(ccc21)-c1ccc2ncnn2c1
FC(F)(F)c1nnc2ccc(cn12)-c1ccc2c(CN3CCC2(C3)c2ccc(Cl)cc2)c1
FC(F)(F)c1ccc(nn1)-c1ccc2c(CN3CCC2(C3)c2ccc(Cl)cc2)c1
FC(F)Oc1ccc(nn1)-c1ccc2c(CN3CCC2(C3)c2ccc(Cl)cc2)c1
Oc1ccc(nn1)-c1ccc2c(CN3CCC2(C3)c2ccc(Cl)cc2)c1
Clc1ccc(cc1)C12CCN(C1)Cc1cc(ccc21)-c1ccc(cc1)[N+]#[C-]
Clc1ccc(cc1)C12CCN(C1)Cc1cc(ccc21)-c1ccc(CS(=O)=O)cc1
Clc1ccc(cc1Cl)C12CCN(C1)Cc1cc(ccc21)-c1ccc2ncnn2c1
Clc1ccc(cc1Cl)C12CCN(C1)Cc1cc(ccc21)-c1ccc2[nH]c(=O)oc2c1
COc1ccc2c(CN3CCC2(CC3)c2ccc(Cl)cc2)c1 |TLB:4:5:9.10:12.13,(-3.69,-5.38,;-3.69,-3.84,;-2.35,-3.07,;-2.35,-1.53,;-1.02,-.76,;.31,-1.53,;.31,-3.07,;1.52,-4.03,;3.02,-3.69,;3.69,-2.3,;3.02,-.91,;1.52,-.57,;1.52,-2.15,;3.02,-2.15,;1.12,.92,;2.21,2.01,;1.81,3.49,;.32,3.89,;-.08,5.38,;-.77,2.8,;-.37,1.32,;-1.02,-3.84,)|
Oc1ccc2c(CN3CCC2(CC3)c2ccc(Cl)cc2)c1 |TLB:3:4:8.9:11.12,(-3.69,-4.52,;-2.35,-3.75,;-2.35,-2.21,;-1.02,-1.44,;.31,-2.21,;.31,-3.75,;1.52,-4.71,;3.02,-4.36,;3.69,-2.98,;3.02,-1.59,;1.52,-1.24,;1.52,-2.82,;3.02,-2.82,;1.12,.24,;2.21,1.33,;1.81,2.82,;.32,3.22,;-.08,4.71,;-.77,2.13,;-.37,.64,;-1.02,-4.52,)|
FC(F)Oc1ccc(nn1)-c1ccc2c(CN3CCC2(CC3)c2ccc(Cl)cc2)c1 |(-6.87,-4.24,;-5.54,-3.47,;-5.54,-1.93,;-4.2,-4.24,;-2.87,-3.47,;-1.49,-4.21,;-.15,-3.44,;-.15,-1.9,;-1.49,-1.13,;-2.82,-1.9,;1.18,-1.13,;1.18,.41,;2.51,1.18,;3.85,.41,;3.85,-1.13,;5.05,-2.09,;6.55,-1.75,;7.22,-.36,;6.55,1.02,;5.05,1.37,;4.65,-.12,;6.19,-.12,;4.65,2.85,;5.74,3.94,;5.34,5.43,;3.86,5.83,;3.46,7.32,;2.77,4.74,;3.17,3.25,;2.51,-1.9,)|
Cc1ccc(nn1)-c1ccc2c(CN3CCC2(CC3)c2ccc(Cl)cc2)c1 |(-5.69,-5.77,;-4.35,-5,;-3.02,-5.77,;-1.69,-5,;-1.69,-3.46,;-3.02,-2.69,;-4.35,-3.46,;-.35,-2.69,;-.35,-1.15,;.98,-.38,;2.31,-1.15,;2.31,-2.69,;3.52,-3.65,;5.02,-3.3,;5.69,-1.92,;5.02,-.53,;3.52,-.18,;3.12,-1.67,;4.66,-1.67,;3.12,1.3,;4.21,2.39,;3.81,3.88,;2.32,4.28,;1.92,5.77,;1.23,3.19,;1.63,1.7,;.98,-3.46,)|
Clc1ccc(cc1)C12CCN(CC1)Cc1cc(ccc21)-c1cncnc1 |(1.26,5.77,;1.66,4.28,;3.14,3.88,;3.54,2.39,;2.45,1.3,;.97,1.7,;.57,3.19,;2.85,-.18,;4.35,-.53,;5.02,-1.92,;4.35,-3.3,;3.99,-1.67,;2.45,-1.67,;2.85,-3.65,;1.65,-2.69,;.31,-3.46,;-1.02,-2.69,;-1.02,-1.15,;.31,-.38,;1.65,-1.15,;-2.35,-3.46,;-2.35,-5,;-3.69,-5.77,;-5.02,-5,;-5.02,-3.46,;-3.69,-2.69,)|
Clc1ccc(cc1)C12CCN(CC1)Cc1cc(ccc21)-c1cnccn1 |(1.26,5.77,;1.66,4.28,;3.14,3.88,;3.54,2.39,;2.45,1.3,;.97,1.7,;.57,3.19,;2.85,-.18,;4.35,-.53,;5.02,-1.92,;4.35,-3.3,;3.99,-1.67,;2.45,-1.67,;2.85,-3.65,;1.65,-2.69,;.31,-3.46,;-1.02,-2.69,;-1.02,-1.15,;.31,-.38,;1.65,-1.15,;-2.35,-3.46,;-2.35,-5,;-3.69,-5.77,;-5.02,-5,;-5.02,-3.46,;-3.69,-2.69,)|
Nc1cnc(cn1)-c1ccc2c(CN3CCC2(CC3)c2ccc(Cl)cc2)c1 |(-5.69,-5.77,;-4.35,-5,;-4.35,-3.46,;-3.02,-2.69,;-1.69,-3.46,;-1.69,-5,;-3.02,-5.77,;-.35,-2.69,;-.35,-1.15,;.98,-.38,;2.31,-1.15,;2.31,-2.69,;3.52,-3.65,;5.02,-3.3,;5.69,-1.92,;5.02,-.53,;3.52,-.18,;3.12,-1.67,;4.66,-1.67,;3.12,1.3,;4.21,2.39,;3.81,3.88,;2.32,4.28,;1.92,5.77,;1.23,3.19,;1.63,1.7,;.98,-3.46,)|
Cc1nnc2ccc(cn12)-c1ccc2c(CN3CCC2(CC3)c2ccc(Cl)cc2)c1 |(-6.07,-1.65,;-5.3,-2.98,;-6.21,-4.23,;-5.3,-5.47,;-3.84,-5,;-2.5,-5.77,;-1.17,-5,;-1.17,-3.46,;-2.5,-2.69,;-3.84,-3.46,;.17,-2.69,;.17,-1.15,;1.5,-.38,;2.83,-1.15,;2.83,-2.69,;4.04,-3.65,;5.54,-3.3,;6.21,-1.92,;5.54,-.53,;4.04,-.18,;3.64,-1.67,;5.18,-1.67,;3.64,1.3,;4.73,2.39,;4.33,3.88,;2.84,4.28,;2.44,5.77,;1.75,3.19,;2.15,1.7,;1.5,-3.46,)|
Clc1ccc(cc1)C12CCN(CC1)Cc1cc(ccc21)-c1cnc2ccccc2n1 |(2.59,5.77,;2.99,4.28,;4.48,3.88,;4.88,2.39,;3.79,1.3,;2.3,1.7,;1.9,3.19,;4.19,-.18,;5.69,-.53,;6.35,-1.92,;5.69,-3.3,;5.33,-1.67,;3.79,-1.67,;4.19,-3.65,;2.98,-2.69,;1.65,-3.46,;.31,-2.69,;.31,-1.15,;1.65,-.38,;2.98,-1.15,;-1.02,-3.46,;-1.02,-5,;-2.35,-5.77,;-3.69,-5,;-5.02,-5.77,;-6.35,-5,;-6.35,-3.46,;-5.02,-2.69,;-3.69,-3.46,;-2.35,-2.69,)|
Clc1ccc(cc1)C12CCN(CC1)Cc1cc(ccc21)C1=CC2OC(=O)NC2C=C1 |c:33,t:24,(3.21,5.77,;3.61,4.28,;5.1,3.88,;5.5,2.39,;4.41,1.3,;2.92,1.7,;2.52,3.19,;4.81,-.18,;6.31,-.53,;6.98,-1.92,;6.31,-3.3,;5.95,-1.67,;4.41,-1.67,;4.81,-3.65,;3.6,-2.69,;2.27,-3.46,;.94,-2.69,;.94,-1.15,;2.27,-.38,;3.6,-1.15,;-.4,-3.46,;-1.73,-2.69,;-3.07,-3.46,;-4.53,-2.98,;-5.44,-4.23,;-6.98,-4.23,;-4.53,-5.47,;-3.07,-5,;-1.73,-5.77,;-.4,-5,)|
Clc1ccc(cc1)C12CCN(CC1)Cc1cc(ccc21)-n1nc2ccccn2c1=O |(2.3,6.2,;2.7,4.72,;4.18,4.32,;4.58,2.83,;3.49,1.74,;2.01,2.14,;1.61,3.63,;3.89,.25,;5.39,-.09,;6.06,-1.48,;5.39,-2.86,;5.03,-1.23,;3.49,-1.23,;3.89,-3.21,;2.69,-2.25,;1.35,-3.02,;.02,-2.25,;.02,-.71,;1.35,.06,;2.69,-.71,;-1.31,-3.02,;-2.72,-2.39,;-3.75,-3.54,;-5.29,-3.54,;-6.06,-4.87,;-5.29,-6.2,;-3.75,-6.2,;-2.98,-4.87,;-1.47,-4.55,;-.39,-5.64,)|
Clc1ccc(cc1)C12CCN(CC1)Cc1cc(ccc21)-n1ccccc1=O |(1.26,5.77,;1.66,4.28,;3.14,3.88,;3.54,2.39,;2.45,1.3,;.97,1.7,;.57,3.19,;2.85,-.18,;4.35,-.53,;5.02,-1.92,;4.35,-3.3,;3.99,-1.67,;2.45,-1.67,;2.85,-3.65,;1.65,-2.69,;.31,-3.46,;-1.02,-2.69,;-1.02,-1.15,;.31,-.38,;1.65,-1.15,;-2.35,-3.46,;-2.35,-5,;-3.69,-5.77,;-5.02,-5,;-5.02,-3.46,;-3.69,-2.69,;-3.69,-1.15,)|
Cc1nnc(s1)-c1ccc2c(CN3CCC2(CC3)c2ccc(Cl)cc2)c1 |(-5.54,-3.6,;-4.21,-4.37,;-3.3,-5.62,;-1.84,-5.14,;-1.84,-3.6,;-3.3,-3.13,;-.5,-2.83,;-.5,-1.29,;.83,-.52,;2.17,-1.29,;2.17,-2.83,;3.37,-3.79,;4.87,-3.45,;5.54,-2.06,;4.87,-.67,;3.37,-.33,;2.97,-1.82,;4.51,-1.82,;2.97,1.16,;4.06,2.24,;3.66,3.73,;2.17,4.13,;1.78,5.62,;1.08,3.04,;1.48,1.55,;.83,-3.6,)|
CS(=O)(=O)c1ccc(cc1)-c1ccc2c(CN3CCC2(CC3)c2ccc(Cl)cc2)c1 |(-6.35,-5.87,;-5.02,-5.1,;-5.79,-3.76,;-4.25,-6.43,;-3.69,-4.33,;-3.69,-2.79,;-2.35,-2.02,;-1.02,-2.79,;-1.02,-4.33,;-2.35,-5.1,;.31,-2.02,;.31,-.48,;1.65,.29,;2.98,-.48,;2.98,-2.02,;4.19,-2.98,;5.69,-2.64,;6.35,-1.25,;5.69,.14,;4.19,.48,;3.79,-1.01,;5.33,-1.01,;3.79,1.97,;4.88,3.06,;4.48,4.55,;2.99,4.94,;2.59,6.43,;1.9,3.86,;2.3,2.37,;1.65,-2.79,)|
Clc1ccc(cc1)C12CCN(CC1)Cc1cc(ccc21)-c1cccc(c1)[N+]#[C-] |(2.59,5.77,;2.99,4.28,;4.48,3.88,;4.88,2.39,;3.79,1.3,;2.3,1.7,;1.9,3.19,;4.19,-.18,;5.69,-.53,;6.35,-1.92,;5.69,-3.3,;5.33,-1.67,;3.79,-1.67,;4.19,-3.65,;2.98,-2.69,;1.65,-3.46,;.31,-2.69,;.31,-1.15,;1.65,-.38,;2.98,-1.15,;-1.02,-3.46,;-1.02,-5,;-2.35,-5.77,;-3.69,-5,;-3.74,-3.43,;-2.35,-2.69,;-5.07,-2.66,;-6.4,-1.89,)|
Clc1ccc(cc1)C12CCN(CC1)Cc1cc(ccc21)N1CCOCC1 |(5.34,-2.61,;5.74,-4.1,;7.22,-4.5,;7.62,-5.99,;6.53,-7.08,;5.05,-6.68,;4.65,-5.19,;6.93,-8.56,;8.43,-8.91,;9.1,-10.29,;8.43,-11.68,;8.07,-10.05,;6.53,-10.05,;6.93,-12.03,;5.73,-11.06,;4.39,-11.83,;3.06,-11.06,;3.06,-9.52,;4.39,-8.75,;5.73,-9.52,;1.73,-11.83,;1.73,-13.37,;.39,-14.14,;-.94,-13.37,;-.94,-11.83,;.39,-11.06,)|
C1CN(CCO1)c1ccc(cc1)C12CCN(CC1)Cc1cc(ccc21)N1CCOCC1 |(6.03,-.04,;6.43,-1.53,;5.34,-2.61,;3.85,-2.22,;3.45,-.73,;4.54,.36,;5.74,-4.1,;7.22,-4.5,;7.62,-5.99,;6.53,-7.08,;5.05,-6.68,;4.65,-5.19,;6.93,-8.56,;8.43,-8.91,;9.1,-10.29,;8.43,-11.68,;8.07,-10.05,;6.53,-10.05,;6.93,-12.03,;5.73,-11.06,;4.39,-11.83,;3.06,-11.06,;3.06,-9.52,;4.39,-8.75,;5.73,-9.52,;1.73,-11.83,;1.73,-13.37,;.39,-14.14,;-.94,-13.37,;-.94,-11.83,;.39,-11.06,)|
CCS(=O)(=O)N1CCN(CC1)c1ccc2c(CN3CCC2(CC3)c2ccc(Cl)cc2)c1 |(-3.61,-11.83,;-3.61,-13.37,;-2.27,-14.14,;-3.36,-15.23,;-1.18,-15.23,;-.94,-13.37,;.39,-14.14,;1.73,-13.37,;1.73,-11.83,;.39,-11.06,;-.94,-11.83,;3.06,-11.06,;3.06,-9.52,;4.39,-8.75,;5.73,-9.52,;5.73,-11.06,;6.93,-12.03,;8.43,-11.68,;9.1,-10.29,;8.43,-8.91,;6.93,-8.56,;6.53,-10.05,;8.07,-10.05,;6.53,-7.08,;7.62,-5.99,;7.22,-4.5,;5.74,-4.1,;5.34,-2.61,;4.65,-5.19,;5.05,-6.68,;4.39,-11.83,)|
CCS(=O)(=O)N1CCN(CC1)c1ccc(cc1)C12CCN(CC1)Cc1cc(ccc21)N1CCN(CC1)S(=O)(=O)CC |(4.83,4.42,;5.23,2.94,;4.14,1.85,;3.05,2.94,;2.81,1.08,;4.54,.36,;3.45,-.73,;3.85,-2.22,;5.34,-2.61,;6.43,-1.53,;6.03,-.04,;5.74,-4.1,;7.22,-4.5,;7.62,-5.99,;6.53,-7.08,;5.05,-6.68,;4.65,-5.19,;6.93,-8.56,;8.43,-8.91,;9.1,-10.29,;8.43,-11.68,;8.07,-10.05,;6.53,-10.05,;6.93,-12.03,;5.73,-11.06,;4.39,-11.83,;3.06,-11.06,;3.06,-9.52,;4.39,-8.75,;5.73,-9.52,;1.73,-11.83,;1.73,-13.37,;.39,-14.14,;-.94,-13.37,;-.94,-11.83,;.39,-11.06,;-2.27,-14.14,;-3.36,-15.23,;-1.18,-15.23,;-3.61,-13.37,;-3.61,-11.83,)|
FC(F)(F)c1ccc(Oc2ccc3c(CN4CCC3(CC4)c3ccc(Cl)cc3)c2)nn1 |(-8.07,-2.09,;-6.59,-2.48,;-7.67,-3.57,;-6.98,-1,;-5.1,-2.88,;-4.7,-4.37,;-3.21,-4.77,;-2.12,-3.68,;-.79,-4.45,;.54,-3.68,;.54,-2.14,;1.88,-1.37,;3.21,-2.14,;3.21,-3.68,;4.42,-4.64,;5.92,-4.3,;6.59,-2.91,;5.92,-1.52,;4.42,-1.18,;4.02,-2.67,;5.56,-2.67,;4.02,.31,;5.11,1.4,;4.71,2.88,;3.22,3.28,;2.82,4.77,;2.13,2.19,;2.53,.71,;1.88,-4.45,;-2.52,-2.19,;-4.01,-1.79,)|
Clc1ccc(cc1)C12CCN(CC1)Cc1cc(Oc3cnccn3)ccc21 |(2.08,4.77,;2.48,3.28,;3.96,2.88,;4.36,1.4,;3.27,.31,;1.79,.71,;1.39,2.19,;3.67,-1.18,;5.17,-1.52,;5.84,-2.91,;5.17,-4.3,;4.81,-2.67,;3.27,-2.67,;3.67,-4.64,;2.47,-3.68,;1.13,-4.45,;-.2,-3.68,;-1.53,-4.45,;-2.87,-3.68,;-3.96,-4.77,;-5.44,-4.37,;-5.84,-2.88,;-4.75,-1.79,;-3.27,-2.19,;-.2,-2.14,;1.13,-1.37,;2.47,-2.14,)|
Nc1cnc(Oc2ccc3c(CN4CCC3(CC4)c3ccc(Cl)cc3)c2)cn1 |(-6.59,-2.48,;-5.1,-2.88,;-4.01,-1.79,;-2.52,-2.19,;-2.12,-3.68,;-.79,-4.45,;.54,-3.68,;.54,-2.14,;1.88,-1.37,;3.21,-2.14,;3.21,-3.68,;4.42,-4.64,;5.92,-4.3,;6.59,-2.91,;5.92,-1.52,;4.42,-1.18,;4.02,-2.67,;5.56,-2.67,;4.02,.31,;5.11,1.4,;4.71,2.88,;3.22,3.28,;2.82,4.77,;2.13,2.19,;2.53,.71,;1.88,-4.45,;-3.21,-4.77,;-4.7,-4.37,)|
Clc1ccc(cc1)C12CCN(CC1)Cc1cc(OCCCc3ccncc3)ccc21 |(3.92,5.77,;4.32,4.28,;5.81,3.88,;6.21,2.39,;5.12,1.3,;3.63,1.7,;3.23,3.19,;5.52,-.18,;7.02,-.53,;7.69,-1.92,;7.02,-3.3,;6.66,-1.67,;5.12,-1.67,;5.52,-3.65,;4.31,-2.69,;2.98,-3.46,;1.65,-2.69,;.31,-3.46,;-1.02,-2.69,;-2.35,-3.46,;-3.69,-2.69,;-5.02,-3.46,;-6.35,-2.69,;-7.69,-3.46,;-7.69,-5,;-6.35,-5.77,;-5.02,-5,;1.65,-1.15,;2.98,-.38,;4.31,-1.15,)|
Clc1ccc(cc1)C12CCN(CC1)Cc1cc(OCCCc3cccnc3)ccc21 |(3.92,5.77,;4.32,4.28,;5.81,3.88,;6.21,2.39,;5.12,1.3,;3.63,1.7,;3.23,3.19,;5.52,-.18,;7.02,-.53,;7.69,-1.92,;7.02,-3.3,;6.66,-1.67,;5.12,-1.67,;5.52,-3.65,;4.31,-2.69,;2.98,-3.46,;1.65,-2.69,;.31,-3.46,;-1.02,-2.69,;-2.35,-3.46,;-3.69,-2.69,;-5.02,-3.46,;-6.35,-2.69,;-7.69,-3.46,;-7.69,-5,;-6.35,-5.77,;-5.02,-5,;1.65,-1.15,;2.98,-.38,;4.31,-1.15,)|
Clc1ccc(cc1Cl)C12CCN(CC1)Cc1cc(ccc21)-c1ccc2ncnn2c1 |(2.44,5.77,;2.84,4.28,;1.75,3.19,;2.15,1.7,;3.64,1.3,;4.73,2.39,;4.33,3.88,;5.42,4.97,;4.04,-.18,;5.54,-.53,;6.21,-1.92,;5.54,-3.3,;5.18,-1.67,;3.64,-1.67,;4.04,-3.65,;2.83,-2.69,;1.5,-3.46,;.17,-2.69,;.17,-1.15,;1.5,-.38,;2.83,-1.15,;-1.17,-3.46,;-1.17,-5,;-2.5,-5.77,;-3.84,-5,;-5.3,-5.47,;-6.21,-4.23,;-5.3,-2.98,;-3.84,-3.46,;-2.5,-2.69,)|
Clc1ccc(cc1Cl)C12CCN(CC1)Cc1cc(ccc21)-c1ccc2[nH]c(=O)oc2c1 |(3.21,5.77,;3.61,4.28,;2.52,3.19,;2.92,1.7,;4.41,1.3,;5.5,2.39,;5.1,3.88,;6.19,4.97,;4.81,-.18,;6.31,-.53,;6.98,-1.92,;6.31,-3.3,;5.95,-1.67,;4.41,-1.67,;4.81,-3.65,;3.6,-2.69,;2.27,-3.46,;.94,-2.69,;.94,-1.15,;2.27,-.38,;3.6,-1.15,;-.4,-3.46,;-.4,-5,;-1.73,-5.77,;-3.07,-5,;-4.53,-5.47,;-5.44,-4.23,;-6.98,-4.23,;-4.53,-2.98,;-3.07,-3.46,;-1.73,-2.69,)|
Clc1ccc(cc1Cl)C12CCN(CC1)Cc1cc(ccc21)-c1cccnn1 |(3.46,7.32,;3.86,5.83,;2.77,4.74,;3.17,3.25,;4.65,2.85,;5.74,3.94,;5.34,5.43,;6.43,6.52,;5.05,1.37,;6.55,1.02,;7.22,-.36,;6.55,-1.75,;6.19,-.12,;4.65,-.12,;5.05,-2.09,;3.85,-1.13,;2.51,-1.9,;1.18,-1.13,;1.18,.41,;2.51,1.18,;3.85,.41,;-.15,-1.9,;-1.49,-1.13,;-2.82,-1.9,;-2.87,-3.47,;-1.49,-4.21,;-.15,-3.44,)|
COc1ccc(nn1)-c1ccc2c(CN3CCC2(CC3)c2ccc(Cl)c(Cl)c2)c1 |(-5.74,-6.56,;-5.74,-5.02,;-4.4,-4.25,;-4.35,-2.69,;-3.02,-1.92,;-1.69,-2.69,;-1.69,-4.23,;-3.02,-5,;-.35,-1.92,;-.35,-.38,;.98,.39,;2.31,-.38,;2.31,-1.92,;3.52,-2.88,;5.02,-2.53,;5.69,-1.15,;5.02,.24,;3.52,.59,;3.12,-.9,;4.66,-.9,;3.12,2.07,;1.63,2.47,;1.23,3.96,;2.32,5.05,;1.92,6.54,;3.81,4.65,;4.9,5.74,;4.21,3.16,;.98,-2.69,)|
Oc1ccc(nn1)-c1ccc2c(CN3CCC2(CC3)c2ccc(Cl)c(Cl)c2)c1 |(-5.69,-5.77,;-4.35,-5,;-4.35,-3.46,;-3.02,-2.69,;-1.69,-3.46,;-1.69,-5,;-3.02,-5.77,;-.35,-2.69,;-.35,-1.15,;.98,-.38,;2.31,-1.15,;2.31,-2.69,;3.52,-3.65,;5.02,-3.3,;5.69,-1.92,;5.02,-.53,;3.52,-.18,;3.12,-1.67,;4.66,-1.67,;3.12,1.3,;1.63,1.7,;1.23,3.19,;2.32,4.28,;1.92,5.77,;3.81,3.88,;4.9,4.97,;4.21,2.39,;.98,-3.46,)|
Nc1cnc(cn1)-c1ccc2c(CN3CCC2(CC3)c2ccc(Cl)c(Cl)c2)c1 |(-5.69,-5.77,;-4.35,-5,;-4.35,-3.46,;-3.02,-2.69,;-1.69,-3.46,;-1.69,-5,;-3.02,-5.77,;-.35,-2.69,;-.35,-1.15,;.98,-.38,;2.31,-1.15,;2.31,-2.69,;3.52,-3.65,;5.02,-3.3,;5.69,-1.92,;5.02,-.53,;3.52,-.18,;3.12,-1.67,;4.66,-1.67,;3.12,1.3,;1.63,1.7,;1.23,3.19,;2.32,4.28,;1.92,5.77,;3.81,3.88,;4.9,4.97,;4.21,2.39,;.98,-3.46,)|
Cc1cc2ncnn2cc1-c1ccc2c(CN3CCC2(CC3)c2ccc(Cl)c(Cl)c2)c1 |(.17,-5.77,;-1.17,-5,;-2.5,-5.77,;-3.84,-5,;-5.3,-5.47,;-6.21,-4.23,;-5.3,-2.98,;-3.84,-3.46,;-2.5,-2.69,;-1.17,-3.46,;.17,-2.69,;.17,-1.15,;1.5,-.38,;2.83,-1.15,;2.83,-2.69,;4.04,-3.65,;5.54,-3.3,;6.21,-1.92,;5.54,-.53,;4.04,-.18,;3.64,-1.67,;5.18,-1.67,;3.64,1.3,;2.15,1.7,;1.75,3.19,;2.84,4.28,;2.44,5.77,;4.33,3.88,;5.42,4.97,;4.73,2.39,;1.5,-3.46,)|
Clc1ccc(cc1Cl)C12CCN(CC1)Cc1cc(Oc3cnccn3)ccc21 |(2.08,4.77,;2.48,3.28,;1.39,2.19,;1.79,.71,;3.27,.31,;4.36,1.4,;3.96,2.88,;5.05,3.97,;3.67,-1.18,;5.17,-1.52,;5.84,-2.91,;5.17,-4.3,;4.81,-2.67,;3.27,-2.67,;3.67,-4.64,;2.47,-3.68,;1.13,-4.45,;-.2,-3.68,;-1.53,-4.45,;-2.87,-3.68,;-3.96,-4.77,;-5.44,-4.37,;-5.84,-2.88,;-4.75,-1.79,;-3.27,-2.19,;-.2,-2.14,;1.13,-1.37,;2.47,-2.14,)|
FC(F)(F)c1ccc(Oc2ccc3c(CN4CCC3(CC4)c3ccc(Cl)c(Cl)c3)c2)nn1 |(-7.69,-.67,;-6.35,-1.44,;-5.96,.05,;-7.69,-2.21,;-5.02,-2.21,;-5.02,-3.75,;-3.69,-4.52,;-2.35,-3.75,;-1.02,-4.52,;.31,-3.75,;.31,-2.21,;1.65,-1.44,;2.98,-2.21,;2.98,-3.75,;4.19,-4.71,;5.69,-4.36,;6.35,-2.98,;5.69,-1.59,;4.19,-1.24,;3.79,-2.73,;5.33,-2.73,;3.79,.24,;2.3,.64,;1.9,2.13,;2.99,3.22,;2.59,4.71,;4.48,2.82,;5.57,3.91,;4.88,1.33,;1.65,-4.52,;-2.35,-2.21,;-3.69,-1.44,)|
FC(F)Oc1ccc2c(CN3CCC2(CC3)c2ccc(Cl)c(Cl)c2)c1 |(-5.02,-4.52,;-3.69,-3.75,;-4.46,-2.41,;-2.35,-4.52,;-1.02,-3.75,;-1.02,-2.21,;.31,-1.44,;1.65,-2.21,;1.65,-3.75,;2.85,-4.71,;4.35,-4.36,;5.02,-2.98,;4.35,-1.59,;2.85,-1.24,;2.45,-2.73,;3.99,-2.73,;2.45,.24,;.97,.64,;.57,2.13,;1.66,3.22,;1.26,4.71,;3.14,2.82,;4.23,3.91,;3.54,1.33,;.31,-4.52,)|
Fc1ccc(cc1Cl)C12CCN(CC1)Cc1cc(Oc3ccc(nn3)C(F)(F)F)ccc21 |(2.59,4.71,;2.99,3.22,;1.9,2.13,;2.3,.64,;3.79,.24,;4.88,1.33,;4.48,2.82,;5.57,3.91,;4.19,-1.24,;5.69,-1.59,;6.35,-2.98,;5.69,-4.36,;5.24,-3.02,;3.94,-2.61,;4.19,-4.71,;2.98,-3.75,;1.65,-4.52,;.31,-3.75,;-1.02,-4.52,;-2.35,-3.75,;-3.69,-4.52,;-5.02,-3.75,;-5.02,-2.21,;-3.69,-1.44,;-2.35,-2.21,;-6.35,-1.44,;-7.69,-.67,;-6.35,.1,;-7.69,-2.21,;.31,-2.21,;1.65,-1.44,;2.98,-2.21,)|
Fc1cc(ccc1Cl)C12CCN(CC1)Cc1cc(Oc3ccc(nn3)C(F)(F)F)ccc21 |(5.57,3.91,;4.48,2.82,;4.88,1.33,;3.79,.24,;2.3,.64,;1.9,2.13,;2.99,3.22,;2.59,4.71,;4.19,-1.24,;5.69,-1.59,;6.35,-2.98,;5.69,-4.36,;5.15,-3.1,;3.98,-2.71,;4.19,-4.71,;2.98,-3.75,;1.65,-4.52,;.31,-3.75,;-1.02,-4.52,;-2.35,-3.75,;-3.69,-4.52,;-5.02,-3.75,;-5.02,-2.21,;-3.69,-1.44,;-2.35,-2.21,;-6.35,-1.44,;-7.69,-.67,;-6.35,.1,;-7.69,-2.21,;.31,-2.21,;1.65,-1.44,;2.98,-2.21,)|
FC(F)(F)c1ccc(Oc2ccc3c(CN4CCC3(CC4)c3cccc(Cl)c3)c2)nn1 |(-7.69,-.27,;-6.35,-1.04,;-6.35,.5,;-7.69,-1.81,;-5.02,-1.81,;-5.02,-3.35,;-3.69,-4.12,;-2.35,-3.35,;-1.02,-4.12,;.31,-3.35,;.31,-1.81,;1.65,-1.04,;2.98,-1.81,;2.98,-3.35,;4.19,-4.31,;5.69,-3.96,;6.35,-2.58,;5.69,-1.19,;4.19,-.85,;3.91,-2.18,;5.12,-2.59,;3.79,.64,;2.3,1.04,;1.9,2.53,;2.99,3.62,;4.48,3.22,;5.57,4.31,;4.88,1.73,;1.65,-4.12,;-2.35,-1.81,;-3.69,-1.04,)|
FC(F)(F)c1ccc(cc1)C12CCN(CC1)Cc1cc(Oc3ccc(nn3)C(F)(F)F)ccc21 |(2.19,6.19,;2.59,4.71,;3.68,5.79,;1.1,5.1,;2.99,3.22,;4.48,2.82,;4.88,1.33,;3.79,.24,;2.3,.64,;1.9,2.13,;4.19,-1.24,;5.69,-1.59,;6.35,-2.98,;5.69,-4.36,;5.27,-2.95,;3.98,-2.76,;4.19,-4.71,;2.98,-3.75,;1.65,-4.52,;.31,-3.75,;-1.02,-4.52,;-2.35,-3.75,;-3.69,-4.52,;-5.02,-3.75,;-5.02,-2.21,;-3.69,-1.44,;-2.35,-2.21,;-6.35,-1.44,;-7.69,-.67,;-6.35,.1,;-7.69,-2.21,;.31,-2.21,;1.65,-1.44,;2.98,-2.21,)|
Fc1ccc(cc1F)C12CCN(CC1)Cc1cc(Oc3ccc(nn3)C(F)(F)F)ccc21 |(2.59,4.71,;2.99,3.22,;1.9,2.13,;2.3,.64,;3.79,.24,;4.88,1.33,;4.48,2.82,;5.57,3.91,;4.19,-1.24,;5.69,-1.59,;6.35,-2.98,;5.69,-4.36,;5.17,-3.14,;3.79,-2.73,;4.19,-4.71,;2.98,-3.75,;1.65,-4.52,;.31,-3.75,;-1.02,-4.52,;-2.35,-3.75,;-3.69,-4.52,;-5.02,-3.75,;-5.02,-2.21,;-3.69,-1.44,;-2.35,-2.21,;-6.35,-1.44,;-7.69,-.67,;-6.35,.1,;-7.69,-2.21,;.31,-2.21,;1.65,-1.44,;2.98,-2.21,)|
Fc1ccc(cc1)C12CCN(CC1)Cc1cc(Oc3ccc(nn3)C(F)(F)F)ccc21 |(2.59,4.71,;2.99,3.22,;4.48,2.82,;4.88,1.33,;3.79,.24,;2.3,.64,;1.9,2.13,;4.19,-1.24,;5.69,-1.59,;6.35,-2.98,;5.69,-4.36,;5.11,-3.04,;3.97,-2.73,;4.19,-4.71,;2.98,-3.75,;1.65,-4.52,;.31,-3.75,;-1.02,-4.52,;-2.35,-3.75,;-3.69,-4.52,;-5.02,-3.75,;-5.02,-2.21,;-3.69,-1.44,;-2.35,-2.21,;-6.35,-1.44,;-7.69,-.67,;-6.35,.1,;-7.69,-2.21,;.31,-2.21,;1.65,-1.44,;2.98,-2.21,)|
Fc1ccc(cc1Cl)C12CCN(CC1)Cc1cc(ccc21)-c1ccc(nn1)C(F)(F)F |(1.92,5.77,;2.32,4.28,;1.23,3.19,;1.63,1.7,;3.12,1.3,;4.21,2.39,;3.81,3.88,;4.9,4.97,;3.52,-.18,;5.02,-.53,;5.69,-1.92,;5.02,-3.3,;5.02,-2.03,;3.53,-1.67,;3.52,-3.65,;2.31,-2.69,;.98,-3.46,;-.35,-2.69,;-.35,-1.15,;.98,-.38,;2.31,-1.15,;-1.69,-3.46,;-1.69,-5,;-3.02,-5.77,;-4.35,-5,;-4.35,-3.46,;-3.02,-2.69,;-5.69,-5.77,;-7.02,-6.54,;-7.02,-5,;-5.69,-7.31,)|
Fc1ccc(cc1Cl)C12CCN(CC1)Cc1cc(ccc21)-c1ccc2ncnn2c1 |(2.44,5.77,;2.84,4.28,;1.75,3.19,;2.15,1.7,;3.63,1.3,;4.72,2.39,;4.32,3.88,;5.41,4.97,;4.03,-.18,;5.53,-.53,;6.2,-1.92,;5.53,-3.3,;5.53,-2.07,;4.03,-1.67,;4.03,-3.65,;2.83,-2.69,;1.49,-3.46,;.16,-2.69,;.16,-1.15,;1.49,-.38,;2.83,-1.15,;-1.17,-3.46,;-1.17,-5,;-2.51,-5.77,;-3.84,-5,;-5.28,-5.46,;-6.2,-4.2,;-5.28,-2.96,;-3.84,-3.46,;-2.51,-2.69,)|
Fc1ccc(cc1Cl)C12CCN(C1)Cc1cc(ccc21)-c1ccc2ncnn2c1
Fc1ccc(cc1Cl)C12CCN(C1)Cc1cc(ccc21)-c1ccc(nn1)C(F)(F)F
CN1CC(c2c(C)noc2C)c2ccccc2C1
CN1CC(c2cccs2)c2ccccc2C1
CN1CC(c2ccc(C)s2)c2ccccc2C1
CN1CC(c2ccc(C)o2)c2ccccc2C1
COc1ccc(cn1)C1CN(C)Cc2ccccc12
CN1CC(c2cc3ccccc3s2)c2ccccc2C1
CN1CC(c2ccc3sccc3c2)c2ccccc2C1
CN1CC(c2cc3ccccc3o2)c2ccccc2C1
CN1CC(c2ccccc2C1)c1cccc2ccoc12
COc1cccc2cc(oc12)C1CN(C)Cc2ccccc12
CN1CC(c2ccc3occc3c2)c2ccccc2C1
CN1CC(c2ccc3ccoc3c2)c2ccccc2C1
CN1CC(c2ccc3[nH]ccc3c2)c2ccccc2C1
CN1CC(c2cc3ccccc3s2)c2ccc(cc2C1)-c1cccnn1
CN1CC(c2cc3ccccc3s2)c2ccc(cc2C1)-c1cncnc1
CN1CC(c2cc3ccccc3s2)c2ccc(CN3CCOCC3)cc2C1
COc1c(ccc2sccc12)C1CN(C)Cc2ccccc12
COc1c(ccc2sccc12)C1CN(C)Cc2cc(ccc12)-c1ccc(C)nn1
CN1CC(c2ccc3sccc3c2)c2ccc(cc2C1)-c1cccnn1
CN1CC(c2ccc3sccc3c2)c2ccc(cc2C1)N1CCOCC1
CN(C)Cc1ccc2C(CN(C)Cc2c1)c1ccc2sccc2c1
CN1CC(c2cc3ccccc3o2)c2ccc(cc2C1)-c1cccnn1
CN1CC(c2ccc3cc[nH]c3c2)c2ccccc2C1
CN1CC(c2ccc3[nH]ncc3c2)c2ccccc2C1
CN1CC(c2ccc3cn[nH]c3c2)c2ccccc2C1
CCN1CC(c2ccc3cn[nH]c3c2)c2ccccc2C1
CN1CC(c2ccc3sncc3c2)c2ccccc2C1
COC(C1CNC1)c1ccc(Cl)cc1
CCOC(C1CNC1)c1ccc(Cl)cc1
COC(C1CNC1)c1ccc(Cl)c(Cl)c1
CCOC(C1CNC1)c1ccc(Cl)c(Cl)c1
COC(C1CNC1)c1ccccc1C
Clc1ccc(cc1)C(Oc1ccccc1)C1CNC1
Clc1ccc(cc1Cl)C(Oc1ccccc1)C1CNC1
C(OC(C1CNC1)c1ccccc1)c1ccccc1
Clc1ccc(cc1)C(OCc1ccccc1)C1CNC1
Clc1ccc(cc1Cl)C(OCc1ccccc1)C1CNC1
O=C(OC(C1CNC1)c1ccccc1)c1ccccc1
Clc1ccc(cc1)C(OC(=O)c1ccccc1)C1CNC1
Clc1ccc(cc1Cl)C(OC(=O)c1ccccc1)C1CNC1
Cc1ccccc1OC(C1CNC1)c1ccc(Cl)c(Cl)c1
Cc1cccc(OC(C2CNC2)c2ccc(Cl)c(Cl)c2)c1
Cc1ccc(OC(C2CNC2)c2ccc(Cl)c(Cl)c2)cc1
CCOCCCCNC(CC(C)C)C1(CCC1)c1ccc(SC)cc1
CCOCCNC(CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1
CCCOCCCN[C@H](CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1
COCCCCN[C@H](CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1
CCOCCCCN[C@H](CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1
CCSCCCCNC(CC(C)C)C1(CCC1)c1ccc(Cl)cc1
CCOc1ccc(cc1)C1(CCC1)C(CC(C)C)NCCSCC
CCSCCCCNC(CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1
CCCCSCCCCNC(CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1
CCSCCNC(CC)C1(CCC1)c1ccc(Cl)c(Cl)c1
CCS(=O)(=O)CCCCNC(CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1
CCC(NC(CC(C)C)C1(CCC1)c1ccc(Cl)cc1)C([O-])=O
CCC(NC(CC(C)C)C1(CCC1)c1ccc(Cl)cc1)C(=O)OCC(C)C
CCCN1CCC2C1CCc1ccc(O)cc21
CC(N)CCc1ccccc1Cl
CCC(=O)OCCNC(CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1
CCOc1ccc(cc1)C1(CCC1)C(CC(C)C)NCCOC(=O)CC
CCOC(=O)NCCNC(CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1
CCOC(=O)NCCNC(CC(C)C)C1(CCC1)c1ccc(OCC)cc1
CCCC(=O)NCCNC(CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1
CCCC(=O)NCCNC(CC(C)C)C1(CCC1)c1ccc(OCC)cc1
CC(C)CC(NCCCC(N)=O)C1(CCC1)c1ccc(Cl)c(Cl)c1
C[C@@H](CCNCCCC(N)=O)CC1(CCC1)c1ccc(Cl)c(Cl)c1
C[C@H](CCNCCCC(N)=O)CC1(CCC1)c1ccc(Cl)c(Cl)c1
CCOc1ccc(cc1)C1(CC(C)CCNCCCC(N)=O)CCC1
CCOc1ccc(cc1)C1(C[C@@H](C)CCNCCCC(N)=O)CCC1
CCOc1ccc(cc1)C1(C[C@H](C)CCNCCCC(N)=O)CCC1
CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12
CCSCCNC(CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1
CC(=O)c1ccc2n(CCCCN3CCN(CC3)c3ccc(F)cc3)c(=O)oc2c1
Cc1ccc(cc1)C1CCNc2cc(ccc12)-c1ccc(C)nn1
Nc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(F)cc1
CNCc1cc(OCc2ccccc2)n(Cc2ccccc2)n1
CNCc1cc(OCc2ccccc2)n(CCCc2ccccc2)n1
CNCc1cc(OCc2ccccc2)n(CC2CCCCC2)n1
CNCc1cc(OCc2ccc(F)cc2C)n(CC2CCCCC2)n1
CNCc1cc(OCc2cc(F)ccc2F)n(CC2CCCCC2)n1
CNCc1cc(OCc2cccc(C)c2)n(CC2CCCCC2)n1
CNCc1cc(OCc2ccc(F)cc2C)n(CC2CCCCO2)n1
CNCc1cc(OCc2ccccc2)n(CC2CC3CCC2C3)n1
CNCc1cc(OCc2cccc(Cl)c2)n(CC2OC3CCC2C3)n1
CNCc1cc(OCc2cc(F)ccc2F)n(CC2CCC(F)(F)CC2)n1
CNCc1cc(OCc2cc(Cl)ccc2F)n(CC2CC2)n1
CNCc1cc(OCc2ccc(F)cc2)n(CC2CCCC2)n1
CNCc1cc(OCc2ccc(F)cc2F)n(CC2CCCC2)n1
CNCc1cc(OCc2cc(F)ccc2F)n(CC2CCCC2)n1
CNCc1cc(OCc2cc(Cl)ccc2F)n(CC2CCCC2)n1
CNCc1cc(OCc2ccccc2C#N)n(CC2CCCC2)n1
CNCc1cc(OCc2ccccc2)n(CCC2CCCC2)n1
CNCc1cc(OCc2ccccc2F)n(Cc2ccc(F)cc2)n1
CNCc1cc(OCc2cc(F)ccc2F)n(Cc2ccc(F)cc2)n1
CNCc1cc(OCc2cc(F)ccc2F)n(Cc2ccc(C)cc2)n1
CCCCn1nc(CNC)cc1OCc1cc(F)ccc1F
CCCCCCCn1nc(CNC)cc1OCc1ccccc1
CCC(CC)n1nc(CNC)cc1OCc1ccc(F)cc1Cl
CNCc1cc(OCc2cc(Cl)ccc2F)n(CC(C)C)n1
CNCc1cc(OCc2cc(F)ccc2F)n(CC(C)(C)C)n1
CNCc1cc(OCc2cc(Cl)ccc2F)n(CC(C)(C)C)n1
CNCc1cc(OCc2cc(F)ccc2F)n(CCC(C)(C)C)n1
CNCc1cc(OCc2cc(F)ccc2F)n(CCC(C)C)n1
CNCc1cc(OCc2cc(Cl)ccc2F)n(CCC(C)(C)OC)n1
CNCc1cc(OCc2cc(F)c(F)cc2F)n(CC2CCCC2)n1
CNCc1cc(OCc2cc(F)c(F)cc2F)n(CCC(C)C)n1
CNCc1cc(OCc2cc(F)c(F)cc2F)n(CCC(C)(C)C)n1
CNCc1cc(OCc2cc(F)c(F)cc2F)n(Cc2ccc(C)cc2)n1
CNCc1cc(OCc2ccccc2)n(n1)C(C)C1CCCC1
CNC(C)c1cc(OCc2cc(F)ccc2F)n(CCC2CCCC2)n1
CN(Cc1cc(OCc2ccccc2)n(n1)C(CO)C1CCCCC1)C(=O)OC(C)(C)C
CNCc1cc(OCc2ccccc2)n(n1)C(CF)C1CCCCC1
CNCc1cc(OCc2ccccc2)n(CC2(C)CCCCC2)n1
CNCc1cc(OCc2cccc(Cl)c2)n(CC2CCc3ccccc3O2)n1
Fc1ccc(F)c(COc2cc(CNC3CC3)nn2CC2CCCCC2)c1
CCNCc1cc(OCc2cc(F)ccc2F)n(CC2CCCCC2)n1
Fc1ccc(F)c(COc2cc(CN=[N+]=[N-])nn2CC2CCCC2)c1
CN(Cc1cc(OC(F)(F)c2ccccc2)n(CC2CCCCC2)n1)C(=O)OC(C)(C)C
CNCc1cc(OC(C)c2cccc(Cl)c2)n(CC2CCCCC2)n1
CN(Cc1nn(CC2CCCCC2)c(OCc2cc(F)ccc2F)c1F)C(=O)OC(C)(C)C
CN(Cc1cc(SCc2ccccc2)n(Cc2ccccc2)n1)C(=O)OC(C)(C)C
CN(Cc1cc(NC(=O)c2ccccc2)n(CC2CCCCC2)n1)C(=O)OC(C)(C)C
CNCc1cc(OCc2ccccc2F)n(CCC(C)C)n1
CCC(CC)CCn1nc(CNC)cc1OCc1cc(C)ccc1F
CNCc1cc(OCc2cc(Cl)ccc2F)n(CCC(C)OC)n1
CNCc1cc(OCc2cc(F)c(F)cc2F)n(CCC2CC2)n1
CNCc1cc(OCc2cc(Cl)ccc2F)n(CC2(CCCCC2)OC)n1
CN(Cc1cc(OCc2cc(Cl)ccc2F)n(CCC2(O)CCCC2)n1)C(=O)OC(C)(C)C
CNCc1cc(OCc2cc(Cl)ccc2F)n(CC2(CC2)C(F)(F)F)n1
CNCc1cc(OCc2ccc(F)cc2)n(CC2(CCCC2)C(F)(F)F)n1
CNCc1cc(OCc2cc(F)ccc2F)n(CC2(CCCC2)C(F)(F)F)n1
CNCc1cc(OCc2cc(Cl)ccc2F)n(CC2(CCCC2)C(F)(F)F)n1
CNC(C)c1cc(OCc2cc(F)ccc2C)n(CCC(C)C)n1
CN(Cc1cc(OCc2cc(Cl)ccc2F)n(CC2CCCCO2)n1)C(=O)OC(C)(C)C
CNCc1cc(OCc2cc(Cl)ccc2F)n(CC2CCCCO2)n1
CNC(C)c1cc(OCc2cc(F)ccc2F)n(CCC2CCCC2)n1
CNC(C)c1cc(OCc2cc(F)ccc2F)n(CCC2CCCC2)n1
CNCc1cc(OCc2cc(F)ccc2F)n(CCC(C)(C)F)n1
CNCc1cc(OCc2cc(Cl)ccc2F)n(CCC(C)(C)F)n1
CCOc1ncccc1O[C@H](CCNC)c1ccccc1 |r|
CCNCC[C@@H](Oc1cccnc1OC)c1ccccc1 |r|
CCNCC[C@@H](Oc1cccnc1OCC)c1ccccc1 |r|
S=c1sc2ccccc2n1CCCCN1CCN(CC1)C1CCCCC1
NC(=O)CSC(c1ccccc1)c1ccccc1
NC(=O)CSC(c1cccc(Cl)c1)c1cccc(Cl)c1
CNC(=O)CSC(c1ccccc1)c1ccccc1
CNC(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
CNC(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1
C=CCNC(=O)CSC(c1ccccc1)c1ccccc1
CCCNC(=O)CSC(c1ccccc1)c1ccccc1
CCCNC(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1
CCCNC(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
CCCNC(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1
O=C(CSC(c1ccccc1)c1ccccc1)NC1CC1
Fc1ccc(cc1)C(SCC(=O)NC1CC1)c1ccc(F)cc1
Brc1ccc(cc1)C(SCC(=O)NC1CC1)c1ccc(Br)cc1
CCCCNC(=O)CSC(c1ccccc1)c1ccccc1
CCCCNC(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1
CCCCNC(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1
Fc1ccc(cc1)C(SCC(=O)NCCCc1ccccc1)c1ccc(F)cc1
Clc1ccc(CCCNC(=O)CSC(c2ccccc2)c2ccc(Cl)cc2)cc1
Brc1ccc(cc1)C(SCC(=O)NCCCc1ccccc1)c1ccc(Br)cc1
O=C(CSC(c1ccccc1)c1ccccc1)NCCCCc1ccccc1
Brc1ccc(cc1)C(SCC(=O)NCCCCc1ccccc1)c1ccc(Br)cc1
CNC(=O)CS(=O)C(c1ccccc1)c1ccccc1
Brc1ccc(cc1)C(c1ccc(Br)cc1)S(=O)CC(=O)NCCCc1ccccc1
NC(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
NCCSC(c1ccccc1)c1ccccc1
NCCSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
NCCSC(c1ccc(Br)cc1)c1ccc(Br)cc1
C(CSC(c1ccccc1)c1ccccc1)NC1CC1
CCCCNCCSC(c1ccccc1)c1ccccc1
C(CNCCSC(c1ccccc1)c1ccccc1)Cc1ccccc1
Fc1ccc(cc1)C(SCCNCCCc1ccccc1)c1ccc(F)cc1
Brc1ccc(cc1)C(SCCNCCCc1ccccc1)c1ccc(Br)cc1
NCCS(=O)C(c1ccccc1)c1ccccc1
CCCCNCCS(=O)C(c1ccccc1)c1ccccc1
Fc1ccc(cc1)C(c1ccc(F)cc1)S(=O)CCNCCCc1ccccc1
Clc1ccc(cc1)C(c1ccc(Cl)cc1)S(=O)CCNCCCc1ccccc1
Brc1ccc(cc1)C(c1ccc(Br)cc1)S(=O)CCNCCCc1ccccc1
O=S(CCNCCCc1ccccc1)C(c1ccccc1)c1ccccc1
C(CN1CCN(CCSC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
O=S(CCN1CCN(CCCc2ccccc2)CC1)C(c1ccccc1)c1ccccc1
Fc1ccc(cc1)C(SCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(c1ccc(F)cc1)S(=O)CCN1CCN(CCCc2ccccc2)CC1
OC(CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
OC(CN1CCN(CCS(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
CC(O)CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
CC(O)CN1CCN(CCS(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
CC(O)CN1CCN(CCSC(c2ccccc2)c2ccccc2)CC1
CC(O)CN1CCN(CCS(=O)C(c2ccccc2)c2ccccc2)CC1
OC(CN1CCN(CCSC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
OC(CN1CCN(CCS(=O)C(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
O=C(CSC(c1ccccc1)c1ccccc1)N1CCN(CCCc2ccccc2)CC1
Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(CC2)CNCCO3)c1
C1COC2(CCN(CC2)c2ccccc2Oc2ccccc2)CN1
Fc1cccc(Oc2ccccc2N2CCC3(CC2)CNCCO3)c1
N#Cc1ccc(Oc2ccccc2)c(c1)N1CCC2(CC1)CNCCO2
C1COC2(CCN(CC2)c2cccc(Oc3ccccc3)c2)CN1
Fc1cccc(Oc2cccc(c2)N2CCC3(CC2)CNCCO3)c1
Fc1cccc(Oc2cc(F)cc(c2)N2CCC3(CC2)CNCCO3)c1
Fc1cccc(Oc2ccc(F)c(c2)N2CCC3(CC2)CNCCO3)c1
Fc1cccc(Oc2cc(ccc2F)N2CCC3(CC2)CNCCO3)c1
Fc1cccc(Oc2cc(N3CCC4(CC3)CNCCO4)c(F)cc2F)c1
Fc1cccc(Oc2cc(F)c(F)c(c2)N2CCC3(CC2)CNCCO3)c1
Fc1cccc(Oc2cc(cc(F)c2F)N2CCC3(CC2)CNCCO3)c1
Fc1c(Oc2ccccc2)cccc1N1CCC2(CC1)CNCCO2
Fc1cccc(Oc2cccc(N3CCC4(CC3)CNCCO4)c2F)c1
Fc1cccc(Oc2cc(F)cc(N3CCC4(CC3)CNCCO4)c2F)c1
Fc1cccc(Oc2ccc(F)c(N3CCC4(CC3)CNCCO4)c2F)c1
N#Cc1cc(Oc2ccccc2)cc(c1)N1CCC2(CC1)CNCCO2
N#Cc1ccc(Oc2ccccc2)cc1N1CCC2(CC1)CNCCO2
Cc1ccc(Oc2ccccc2)cc1N1CCC2(CC1)CNCCO2
Fc1cccc(Oc2cncc(c2)N2CCC3(CC2)CNCCO3)c1
C(c1ccccc1)c1cccc(c1)N1CCC2(CC1)CNCCO2
Cc1c(Oc2cccc(F)c2)cc(cc1C#N)N1CCC2(CC1)CNCCO2
Fc1cccc(Oc2cccc(n2)N2CCC3(CC2)CNCCO3)c1
Fc1cccc(Oc2cc(cc(n2)N2CCC3(CC2)CNCCO3)C(F)(F)F)c1
Fc1cccc(Oc2cc(cc(n2)N2CCC3(CC2)CNCCO3)C#N)c1
Fc1cccc(Oc2nc(cc(c2C#N)C(F)(F)F)N2CCC3(CC2)CNCCO3)c1
Fc1cccc(Oc2cc(c(C#N)c(n2)N2CCC3(CC2)CNCCO3)C(F)(F)F)c1
Fc1cccc(Oc2cncc(n2)N2CCC3(CC2)CNCCO3)c1
Fc1cccc(Oc2ccnc(n2)N2CCC3(CC2)CNCCO3)c1
Cc1cc(Oc2ccccc2)nc(n1)N1CCC2(CC1)CNCCO2
Cc1cc(Oc2cccc(F)c2)nc(n1)N1CCC2(CC1)CNCCO2
Cc1cccc(Oc2cc(C)nc(n2)N2CCC3(CC2)CNCCO3)c1
Cc1cc(Oc2cccc(c2)C#N)nc(n1)N1CCC2(CC1)CNCCO2
Cc1cc(Oc2cccc(OC(F)(F)F)c2)nc(n1)N1CCC2(CC1)CNCCO2
Cc1cc(Oc2cccc(c2)C(F)(F)F)nc(n1)N1CCC2(CC1)CNCCO2
COc1cccc(Oc2cc(C)nc(n2)N2CCC3(CC2)CNCCO3)c1
Cc1cc(Oc2cc(F)cc(F)c2)nc(n1)N1CCC2(CC1)CNCCO2
Cc1cc(Oc2ccccc2C)nc(n1)N1CCC2(CC1)CNCCO2
COc1ccccc1Oc1cc(C)nc(n1)N1CCC2(CC1)CNCCO2
Cc1cc(Oc2cccnc2)nc(n1)N1CCC2(CC1)CNCCO2
Cc1cnc(nc1Oc1cccc(F)c1)N1CCC2(CC1)CNCCO2
FC(F)(F)c1cc(Oc2ccccc2)nc(n1)N1CCC2(CC1)CNCCO2
Fc1cccc(Oc2cc(nc(n2)N2CCC3(CC2)CNCCO3)C(F)(F)F)c1
Fc1ccccc1Oc1cc(nc(n1)N1CCC2(CC1)CNCCO2)C(F)(F)F
Fc1ccc(Oc2cc(nc(n2)N2CCC3(CC2)CNCCO3)C(F)(F)F)cc1
FC(F)(F)c1cc(Oc2cccc(c2)C#N)nc(n1)N1CCC2(CC1)CNCCO2
FC(F)(F)c1cc(Oc2cccs2)nc(n1)N1CCC2(CC1)CNCCO2
COc1cc(Cc2ccccc2)nc(n1)N1CCC2(CC1)CNCCO2
Fc1cccc(Oc2cc(nc(n2)N2CCC3(CC2)CNCCO3)C#N)c1
CSc1cc(Oc2cccc(F)c2)nc(n1)N1CCC2(CC1)CNCCO2
CSc1cc(nc(Oc2cccc(F)c2)n1)N1CCC2(CC1)CNCCO2
Fc1cccc(Oc2cc(nc(n2)N2CCC3(CC2)CNCCO3)C2CC2)c1
COc1cc(Oc2cccc(F)c2)nc(n1)N1CCC2(CC1)CNCCO2
Fc1cccc(Oc2cc(nc(n2)N2CCOC3(CCNCC3)C2)C(F)(F)F)c1
Fc1cccc(Oc2cc(nc(n2)N2CCC3(CC2)CNC(=O)CO3)C(F)(F)F)c1
Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(CC2)CNCC(F)(F)O3)c1
Fc1cccc(Oc2cc(nc(n2)N2CCC3(CC2)CNCC(F)(F)O3)C(F)(F)F)c1
Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(CC2)CNCCS3(=O)=O)c1
Fc1cccc(Oc2cc(nc(n2)N2CCC3(CC2)CNCCS3(=O)=O)C(F)(F)F)c1
Fc1cccc(Oc2cc(nc(n2)N2CCC3(CC2)CNCC(=O)N3)C(F)(F)F)c1
CN1CCNCC11CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Fc1cccc(Oc2cc(nc(n2)N2CCC3(CC2)CNCCN3)C(F)(F)F)c1
CN1CCCNC(=O)C11CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
CN1CCCNCC11CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Fc1cccc(Oc2cc(nc(n2)N2CCC3(CC2)COCCN3)C(F)(F)F)c1
Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(CCCNC3)CC2)c1
Fc1cccc(Oc2cc(F)c(F)cc2N2CCCC3(CCNCC3)C2)c1
Fc1cccc(Oc2cc(F)c(F)cc2N2CCCC3(CCCNC3)C2)c1
Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(CCNCC3)CC2)c1
Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(C2)CNCCO3)c1
Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(C2)CCCNC3)c1
Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(C2)CNCCC32OCCO2)c1
Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(C2)CNCCC3=O)c1
Fc1cccc(Oc2cc(nc(n2)N2CCC3(C2)CNCCC32OCCO2)C(F)(F)F)c1
Fc1cccc(Oc2cc(nc(n2)N2CCC3(C2)CNCCC3=O)C(F)(F)F)c1
Fc1cccc(Oc2cc(nc(n2)N2CCC3(CNC(=O)O3)CC2)C(F)(F)F)c1
Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(C2)CCNCC3)c1
Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(CCNC3)CC2)c1
Fc1cccc(Oc2cc(F)cc(c2)N2CCC3(CCNC3)CC2)c1
Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(C2)CCNCC32OCCO2)c1
Fc1cccc(Oc2cc(nc(n2)N2CCC3(C2)CCNCC32OCCO2)C(F)(F)F)c1
OC1CNCCC11CCN(C1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
O[C@H]1CNCCC11CCN(C1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F |r|
Fc1cccc(Oc2cc(nc(n2)N2CC3(C2)CNCCO3)C(F)(F)F)c1
CN(C)CC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
OC1(CN2CCCC2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
OC1(CNC2CC2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
CN(CC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F)C1CC1
CNCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
OC1(CN2CCC(F)(F)C2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
OC1(CN2CCCNCC2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
CC1CCC(C)N1CC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
CC(C)(C)NCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
OC1(CN2CCCC2=O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
NCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
NCC1(F)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
NCC1(O)CCN(CC1)c1cc(F)cc(Oc2cccc(F)c2)c1
NCC1(O)CCN(CC1)c1cc(F)cc(Oc2cccc(F)c2)c1F
NCC1(O)CCN(CC1)c1cccc(Oc2ccccc2)c1F
NCC1(O)CCN(CC1)c1cccc(Oc2cccc(F)c2)c1F
NCC1(O)CCN(CC1)c1cc(Oc2cccc(F)c2)cc(F)c1F
NCC1(O)CCN(CC1)c1cc(F)c(F)c(Oc2cccc(F)c2)c1
NC1(CO)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
CC(C)C(=O)NCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
OC1(CNC(=O)CC2CC2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
CC(C)OCC(=O)NCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
CC(=O)NCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
OC1(CNC(=O)C2CNC2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
OC1(CNC(=O)c2ccccc2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
OC1(CNC(=O)c2cn[nH]c2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
OC1(CNC(=O)c2cnccn2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
NCC(=O)NCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
OC1(CNC2CC2)CCN(C1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
O[C@]1(CNC2CC2)CCN(C1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F |r|
NCC1(O)CCN(C1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
CC(C)C(=O)NCC1(O)CCN(C1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
OC1(CNC(=O)C2CNC2)CCN(C1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Fc1cccc(Oc2cc(nc(n2)N2CCc3nc[nH]c3C2)C(F)(F)F)c1
Fc1cccc(Oc2cc(nc(n2)N2CCC3NCCCC3C2)C(F)(F)F)c1
CNC[C@@H]([C@H](OCC(=O)NC)c1ccccc1)c1ccc2ccccc2c1 |r|
CNCC(Cc1ccccc1CO)c1ccc2ccccc2c1
CNC[C@@H]([C@H](OCC(N)=O)c1ccccc1)c1ccc2ccccc2c1 |r|
CN1CO[C@@H]([C@H](C1)c1ccc2ccccc2c1)c1ccccc1 |r|
CNC[C@@H](Cc1ccccc1)c1ccc2ccccc2c1 |r|
CCNC(=O)CO[C@@H]([C@H](CNC)c1ccc2ccccc2c1)c1ccccc1 |r|
CNC[C@@H]([C@@H](O)c1ccncc1Cl)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCC(=O)NC1CCC1)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](F)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@@H](F)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1ccncc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCC(=O)NC1CC1)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCC(=O)NCCO)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1ccccc1F)c1ccc2ccccc2c1 |r|
CNCC([C@H](O)c1ccccc1)c1ccc(Br)c(Cl)c1 |r|
CNCC(Cc1ccccc1F)c1ccc2ccccc2c1
CNC[C@@H]([C@H](OCc1cc(C)on1)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCC(=O)N1CC[C@H](O)C1)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCc1cc(C)no1)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@@H](O)c1ccccc1)c1ccc(Br)c(Cl)c1 |r|
CNC[C@@H]([C@H](OCc1noc(C)n1)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCC(=O)N1CCOCC1)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1cccc(N)c1)c1ccc(Cl)c(Cl)c1 |r|
CNCC([C@H](CO)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1ccc(Cl)nc1)c1ccc2ccccc2c1 |r|
CNCC(CCc1ccccc1)[C@@H](O)c1ccccc1 |r|
CNC[C@@H]([C@H](O)c1ccccc1C)c1ccc2ccccc2c1 |r|
CCCNC(=O)CO[C@@H]([C@H](CNC)c1ccc2ccccc2c1)c1ccccc1 |r|
CNC[C@@H]([C@H](OCC(=O)N1CCC1)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCc1cccn(C)c1=O)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCCO)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCC(=O)N(C)C)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCC(=O)N1CC[C@@H](O)C1)c1ccccc1)c1ccc2ccccc2c1 |r|
CCOC(=O)CO[C@@H]([C@H](CNC)c1ccc2ccccc2c1)c1ccccc1 |r|
CNC[C@@H]([C@H](O)c1cc(F)cc(F)c1)c1ccc2ccccc2c1 |r|
CNCC(C(OC)c1ccccc1)c1ccc2ccccc2c1
CNCC(Cc1ccccc1C)c1ccc2ccccc2c1
CNCC(Cc1cccs1)c1ccc2ccccc2c1
C[C@](CN)(Cc1cccnc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1ccccc1)c1ccc(Br)c(Cl)c1 |r|
CNC[C@@H](Cc1ccc(C)s1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCC(=O)Nc1ccccc1)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OC)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1cccs1)c1ccc2ccccc2c1 |r|
CNCC(Cc1cccnc1)c1ccc2ccccc2c1
CNC[C@H]([C@@H](O)c1cccnc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCC(=O)N1CCCC1)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCC(=O)NCCOC)c1ccccc1)c1ccc2ccccc2c1 |r|
CNCC(Cc1ccccc1O)c1ccc2ccccc2c1
CNCC([C@H](O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1ccccc1)c1ccc(OC)c(C)c1 |r|
CNC[C@@H]([C@H](O)c1cccnc1)c1ccc(OC)c(C)c1 |r|
CNCC(Cc1ccccc1OC)c1ccc2ccccc2c1
CNC[C@@H]([C@H](O)c1ccc(Cl)s1)c1ccc2ccccc2c1 |r|
CNC[C@@H](Cc1cccnc1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@@H](O)c1ccccc1F)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@@H](Cl)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1cccnc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@@H](O)c1cccc(N)c1)c1ccc(Cl)c(Cl)c1 |r|
C1CO[C@H]([C@@H](CN1)c1ccc2ccccc2c1)c1ccccc1 |r|
CNC[C@@H]([C@@H](O)c1ccccc1[N+]([O-])=O)c1ccc(Cl)c(Cl)c1 |r|
CNCC(CCc1ccccc1)[C@H](O)c1ccccc1 |r|
CNC[C@@H]([C@H](OCc1nc(C)no1)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCC(=O)NCC(F)(F)F)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@@H](O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](OCC(=O)N(C)OC)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@H]([C@H](O)c1ccccn1)c1ccc2ccccc2c1 |r|
CNCC([C@H](O)c1ccccc1)c1ccc(F)c(Cl)c1 |r|
CNCC(Cc1ccccc1)c1ccc2cccnc2c1
CNC[C@@H]([C@H](O)c1cccc(Br)c1)c1ccc(Cl)c(Cl)c1 |r|
CN1CCO[C@@H]([C@H](C1)c1ccc2ccccc2c1)c1ccccc1 |r|
CNC[C@H]([C@@H](O)c1ccccc1F)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCc1cccc(=O)n1C)c1ccccc1)c1ccc2ccccc2c1 |r|
CNCC(Cc1cccnc1)c1ccc(Cl)c(Cl)c1
CNC[C@@H]([C@H](O[C@H](C)C(=O)N1CCCC1)c1ccccc1)c1ccc2ccccc2c1 |r|
CN(C)C[C@@H]([C@H](N)c1ccccc1)c1ccc2ccccc2c1 |r|
CN(C)C[C@@H]([C@H](O)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCc1nc(co1)C(=O)OC)c1ccccc1)c1ccc2ccccc2c1 |r|
CNCC(C[C@H](O)c1ccccc1)c1ccc2ccccc2c1 |r|
CN(C)CC(C)(C(O)c1ccccc1)c1ccc2ccccc2c1
CNC[C@@H]([C@H](N)c1ccccc1)c1ccc2ccccc2c1 |r|
NC[C@H]([C@@H](O)c1ccccc1)c1ccc2ccccc2c1
CN(C)C[C@@H]([C@H](OCCO)c1ccccc1)c1ccc2ccccc2c1 |r|
NCC([C@@H](O)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1cncc(OC)c1)c1ccc2ccccc2c1 |r|
CNC[C@H](C[C@H](O)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@@H](O)c1cccc(NC(C)=O)c1)c1ccc(Cl)c(Cl)c1 |r|
NC[C@@H]([C@@H](O)c1ccncc1Cl)c1ccc2ccccc2c1 |r|
CNC[C@H]([C@H](O)c1ccccc1F)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@@H](O)c1ccccc1SC)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@H](O)c1cccc(NC(C)=O)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@@H](O)c1ccccc1-c1cccs1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1cccc(c1)S(C)(=O)=O)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1cccc(c1)[N+]([O-])=O)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@@H](O)c1cccnc1OC)c1ccc(Cl)c(Cl)c1 |r|
CN(C)C[C@@H]([C@H](O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](O)c1ccsc1)c1ccc(Cl)c(Cl)c1 |r|
NCC(C(O)c1ccc(F)cc1F)c1ccc2ccccc2c1
CNC[C@H]([C@@H](O)c1cccc(c1)N(C)C)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](O)c1cncc(OC)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](O)c1ccccc1)c1ccc(Br)c(Cl)c1 |r|
NCC[C@@H](Cc1cccnc1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1ccccc1)c1ccc(cc1)-c1ccccc1 |r|
CNC[C@H]([C@@H](O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H](Cc1cccnc1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](O)c1cccc(c1)S(C)=O)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](OCC(N)=O)c1ccccc1)c1ccc2ccccc2c1 |r|
NC[C@H](C(O)c1ccncc1Cl)c1ccc2ccccc2c1 |r|
CNC[C@H]([C@@H](O)c1cccc(N)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](O)c1cccc(SC)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](O)c1cccc(NS(=O)(=O)C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](O)c1cncc(OC)c1)c1ccc2ccccc2c1 |r|
CN1CCO[C@H]([C@H](C1)c1ccc2ccccc2c1)c1ccccc1 |r|
CN1CCO[C@H]([C@@H](C1)c1ccc2ccccc2c1)c1ccccc1 |r|
CNC[C@H]([C@@H](O)c1cccc(c1)N1CCOCC1)c1ccc(Cl)c(Cl)c1 |r|
NC[C@H]([C@@H](O)c1ccc(Cl)nc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@@H](O)c1cccc(NS(=O)(=O)C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](O)c1ccccc1S(C)=O)c1ccc(Cl)c(Cl)c1 |r|
CN1C[C@@H]([C@H](OCC1=O)c1ccccc1)c1ccc2ccccc2c1 |r|
O[C@H]([C@@H](CNCC(F)(F)F)c1ccc2ccccc2c1)c1ccccc1 |r|
NC[C@@H](Cc1ccccc1O)c1ccc2ccccc2c1 |r|
CN(C)C[C@@H]([C@H](O)c1cccs1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OC)c1ccc2OCOc2c1)c1ccc2ccccc2c1 |r|
NCC(Cc1ccccc1F)c1ccc2ccccc2c1
CNC[C@H](Cc1ccccc1F)c1ccc2ccccc2c1 |r|
CNCC(Cc1ccc(C)s1)c1ccc2ccccc2c1
CNC[C@H](Cc1ccccc1O)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@@H](O)c1cc(F)cc(F)c1)c1ccc2ccccc2c1 |r|
CNC[C@H]([C@H](O)c1cc(F)cc(F)c1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1ccc2OCCOc2c1)c1ccc2ccccc2c1 |r|
CNC[C@H]([C@@H](O)c1cccs1)c1ccc2ccccc2c1 |r|
CNC[C@H]([C@@H](O)c1ccc2OCCOc2c1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](Cl)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1ccccc1)c1ccc(Cl)cc1 |r|
CNC[C@@H]([C@H](O)c1ccccc1)c1ccc(Br)cc1 |r|
CNC[C@H]([C@H](O)c1ccccc1)c1ccc(Br)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1cccc(I)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@@H](O)c1ccccc1I)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1ccncc1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1ccccc1SC)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](O)c1cccc(OC)n1)c1ccc(Cl)c(Cl)c1 |r|
CCc1ccccc1[C@@H](O)[C@H](CNC)c1ccc(Cl)c(Cl)c1 |r|
CCc1cccc(c1)[C@@H](O)[C@H](CNC)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1ccccc1OC)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@@H](O)c1cccc(Br)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](O)c1cccc(Br)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@@H](O)c1cccc(SC)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1ccccc1I)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@@H](O)c1cccc(I)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1cncc(OC)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1cccc(OC)n1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1cccc(c1)N(C)C)c1ccc(Cl)c(Cl)c1 |r|
CNCC([C@@H](O)c1ccc(Cl)nc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@@H](O)c1ccccc1S(C)(=O)=O)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](O)c1cccnc1OC)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](OC)c1cccc(NS(=O)(=O)C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1ccccc1)c1ccc2ccccc2c1 |r|
CCOc1ccccc1O[C@H](c2ccccc2)[C@H]3CNCCO3
Clc1ccc(cc1Cl)[C@@]12C[C@@H]1CNC2 |r|
CNC[C@H]([C@H](O)c1ccccc1)c1ccc2ccccc2c1 |r|
Brc1ccc(OCc2ccccc2)c(OC2CNC2)c1
Clc1cccc(COc2ccc(Br)cc2OC2CNC2)c1
Clc1cccc(COc2ccc(Br)cc2OC2CN(C2)C2CCC2)c1
CC(C)N1CC(C1)Oc1cc(Br)ccc1OCc1cccc(Cl)c1
CCN1CC(C1)Oc1cc(Br)ccc1OCc1cccc(Cl)c1
FC(F)(F)Oc1cccc(COc2ccc(Br)cc2OC2CNC2)c1
FC(F)(F)c1cccc(COc2ccc(Br)cc2OC2CNC2)c1
Brc1ccc(OCc2cccc(c2)C#N)c(OC2CNC2)c1
FC(F)(F)c1ccc(COc2ccc(Br)cc2OC2CNC2)o1
Fc1ccc(COc2ccc(Br)cc2OC2CNC2)cc1Cl
COc1ccc(COc2ccc(Br)cc2OC2CNC2)cc1Cl
Clc1ccc(COc2ccc(Br)cc2OC2CNC2)cc1
Clc1ccccc1COc1ccc(Br)cc1OC1CNC1
Fc1cccc(COc2ccc(Br)cc2OC2CNC2)c1
CCN1CC(C1)Oc1cc(Br)ccc1OCc1cccc(F)c1
CCCN1CC(C1)Oc1cc(Br)ccc1OCc1cccc(F)c1
Clc1cccc(COc2cc(Br)ccc2OC2CNC2)c1
Fc1ccc(COc2ccc(Cl)cc2OC2CNC2)cc1
CSc1cccc(COc2ccc(Cl)cc2OC2CNC2)c1
CS(=O)(=O)c1cccc(COc2ccc(Cl)cc2OC2CNC2)c1
Clc1ccc(OCc2csc(n2)-c2cccs2)c(OC2CNC2)c1
Cc1nc(COc2ccc(Cl)cc2OC2CNC2)cs1
Cc1nc(no1)-c1cccc(COc2ccc(Cl)cc2OC2CNC2)c1
FC(F)(F)c1ccccc1COc1ccc(Cl)cc1OC1CNC1
COc1cccc(COc2ccc(Cl)cc2OC2CNC2)c1
Clc1ccc(OCc2cccc(c2)C#N)c(OC2CNC2)c1
Clc1ccc(OCc2ccccc2Cl)c(OC2CNC2)c1
Clc1ccc(COc2ccc(Cl)cc2OC2CNC2)cc1
Clc1cccc(COc2ccc(Cl)cc2OC2CNC2)c1
CN1CC(C1)Oc1cc(Cl)ccc1OCc1cccc(Cl)c1
FC(F)(F)c1cccc(COc2ccc(Cl)cc2OC2CNC2)c1
Clc1ccc(OCc2ccccc2)c(OC2CNC2)c1
FC(F)(F)Oc1ccc(COc2ccc(Cl)cc2OC2CNC2)cc1
FC(F)(F)c1ccc(COc2ccc(Cl)cc2OC2CNC2)cc1
FC(F)(F)c1ccc(COc2ccc(Cl)cc2OC2CNC2)c(c1)C(F)(F)F
Fc1ccc(COc2ccc(Cl)cc2OC2CNC2)cc1C(F)(F)F
FC(F)(F)c1cc(COc2ccc(Cl)cc2OC2CNC2)ccc1Cl
Clc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC2CNC2)c1
Clc1ccc(OCc2ccccn2)c(OC2CNC2)c1
Clc1ccc(OCc2cccnc2)c(OC2CNC2)c1
Clc1ccc(OCc2ccncc2)c(OC2CNC2)c1
FC(F)(F)c1ccc(COc2ccc(Cl)cc2OC2CNC2)o1
CN1CC[C@H](C1)Oc1cc(Cl)ccc1OCc1cccc(Cl)c1 |r|
FC(F)(F)c1ccc(COc2ccc(Cl)cc2OC2CCNCC2)o1
FC(F)(F)c1ccc(COc2ccc(Br)cc2OC2CCNCC2)o1
Clc1cccc(COc2ccc(Br)cc2OC2CCNCC2)c1
Clc1ccc(OCC2CCCCC2)c(OC2CNC2)c1
CN1CC(C1)Oc1cc(Cl)ccc1OCc1cc(CO)c(o1)C(F)(F)F
FC(F)(F)c1cccc(COc2ccc(Cl)cc2OC2CNC2)n1
FC(F)(F)c1ccnc(COc2ccc(Cl)cc2OC2CNC2)c1
Clc1ccc(OCc2ccc3occc3c2)c(OC2CNC2)c1
Clc1ccc(OCc2ccc3ncsc3c2)c(OC2CNC2)c1
Cn1nnc2ccc(COc3ccc(Cl)cc3OC3CNC3)cc12
FC1(F)Oc2ccc(COc3ccc(Cl)cc3OC3CNC3)cc2O1
Clc1ccc(OCc2cc3ccccc3o2)c(OC2CNC2)c1
C[C@@H](Oc1ccc(Cl)cc1OC1CNC1)c1cccc(c1)C(F)(F)F |r|
C[C@H](Oc1ccc(Cl)cc1OC1CNC1)c1cccc(c1)C(F)(F)F |r|
CC(Oc1ccc(Cl)cc1OC1CNC1)c1cccc(c1)C(F)(F)F
CC(Oc1ccc(Cl)cc1OC1CN(Cc2ccccc2)C1)c1cccc(c1)C(F)(F)F
CC(Oc1ccc(Cl)cc1OC1CN(C)C1)c1cccc(c1)C(F)(F)F
CC(Oc1ccc(Br)cc1OC1CNC1)c1cccc(OC(F)(F)F)c1
CC(Oc1ccc(Br)cc1OC1CNC1)c1cccc(Cl)c1
CC(Oc1ccc(Br)cc1OC1CNC1)c1cccc(c1)C(F)(F)F
C[C@@H](Oc1ccc(Br)cc1OC1CNC1)c1cccc(c1)C(F)(F)F |r|
CC(Oc1ccc(Cl)cc1OC1CNC1)c1cccc(Cl)c1
CC(Oc1ccc(Cl)cc1OC1CNC1)c1cccc(F)c1
CC(Oc1ccc(Cl)cc1OC1CNC1)c1ccc(F)c(c1)C(F)(F)F
CC(Oc1ccc(Cl)cc1OC1CNC1)c1ccccc1F
CC(Oc1ccc(Cl)cc1OC1CNC1)c1ccc(Cl)cc1
CC(Oc1ccc(Cl)cc1OC1CNC1)c1ccc(F)cc1
CC(Oc1ccc(Cl)cc1OC1CNC1)c1nc2ccccc2s1
C[C@@H](Oc1ccc(Cl)cc1OC1CCNCC1)c1cccc(c1)C(F)(F)F |r|
CC(Oc1ccc(Cl)cc1OC1CCNCC1)c1cccc(Cl)c1
FCC(Oc1ccc(Br)cc1OC1CNC1)c1ccccc1
CC(Oc1ccc(Cl)cc1OC1CNC1)c1ccccc1
CC(Oc1ccc(Cl)cc1OC1CNC1)c1ccc(o1)C(F)(F)F
Fc1ccc2CCC(Oc3ccc(Cl)cc3OC3CNC3)c2c1
Clc1ccc2C(CCc2c1)Oc1ccc(Br)cc1OC1CNC1
Fc1ccc2C(CCc2c1)Oc1ccc(Br)cc1OC1CNC1
Cc1ccc2C(CCc2c1)Oc1ccc(Br)cc1OC1CNC1
FC(F)(F)c1ccc2CCC(Oc3ccc(Br)cc3OC3CNC3)c2c1
Cc1ccc2CCC(Oc3ccc(Cl)cc3OC3CNC3)c2c1
Clc1ccc2CCC(Oc3ccc(Cl)cc3OC3CNC3)c2c1
FC(F)(F)c1ccc2CCC(Oc3ccc(Cl)cc3OC3CNC3)c2c1
Clc1ccc(OC2CCCc3ccccc23)c(OC2CNC2)c1
Clc1ccc(OC2CCc3ccccc3C2)c(OC2CNC2)c1
Clc1ccc(OCC2CCc3ccccc3O2)c(OC2CNC2)c1
Clc1ccc(OCCOc2ccccc2)c(OC2CNC2)c1
Clc1ccc(OC2Cc3ccccc3C2)c(OC2CNC2)c1
Brc1ccc(OC2Cc3ccccc3C2)c(OC2CNC2)c1
Fc1ccc2CC(Cc2c1)Oc1ccc(Cl)cc1OC1CNC1
Clc1ccc2CC(Cc2c1)Oc1ccc(Cl)cc1OC1CNC1
COc1ccc2CC(Cc2c1)Oc1ccc(Cl)cc1OC1CNC1
COc1cccc2CC(Cc12)Oc1ccc(Cl)cc1OC1CNC1
O\N=C(/COc1ccc(Cl)cc1OC1CNC1)c1ccccc1
CO\N=C(/COc1ccc(Cl)cc1OC1CNC1)c1ccccc1
FC(F)(COc1ccc(Cl)cc1OC1CNC1)c1ccccc1
Clc1cccc(CCOc2ccc(Cl)cc2OC2CNC2)c1
Clc1ccc(OCCc2ccccc2)c(OC2CNC2)c1
FC(COc1ccc(Cl)cc1OC1CNC1)c1ccccc1
Clc1ccc(cc1)C1(COc2ccc(Cl)cc2OC2CNC2)CCC1
COc1cccc(CCOc2ccc(Cl)cc2OC2CNC2)c1
Fc1cccc(CCOc2ccc(Cl)cc2OC2CNC2)c1
Clc1ccc(CCOc2ccc(Cl)cc2OC2CNC2)cc1
Fc1ccc(CCOc2ccc(Cl)cc2OC2CNC2)cc1
COc1ccc(CCOc2ccc(Cl)cc2OC2CNC2)cc1
Brc1ccc(OCCc2ccccc2)c(OC2CNC2)c1
Clc1cnc(OCc2ccccc2)c(OC2CNC2)c1
FC(F)(F)c1ccc(COc2ccc(cc2OC2CNC2)C(F)(F)F)o1
C[C@@H](Oc1ccc(cc1OC1CNC1)C(F)(F)F)c1cccc(c1)C(F)(F)F |r|
FC(F)(F)c1ccc(OCc2ccccc2)c(OC2CNC2)c1
CN1CC(C1)Oc1cc(F)ccc1OCc1cccc(Cl)c1
Fc1ccc(OCc2ccc(o2)C(F)(F)F)c(OC2CNC2)c1
CC(C)N1CC(C1)Oc1cc(F)ccc1OCc1ccc(o1)C(F)(F)F
CC1(CNC1)Oc1cc(Br)ccc1OCc1cccc(Cl)c1
CC(C)C1(CNC1)Oc1cc(Br)ccc1OCc1cccc(Cl)c1
CC1(CNC1)Oc1cc(Br)ccc1OCCc1ccccc1
CC1(CNC1)Oc1cc(Br)ccc1OCc1ccc(o1)C(F)(F)F
CC1(CNC1)Oc1cc(Br)ccc1OCc1cccc(c1)C(F)(F)F
C[C@@H]1NC[C@H]1Oc1cc(Br)ccc1OCc1cccc(F)c1 |r|
C[C@@H]1[C@@H](CN1Cc1ccccc1)Oc1cc(Br)ccc1OCc1cccc(F)c1 |r|
C[C@H]1[C@@H](CN1Cc1ccccc1)Oc1cc(Br)ccc1OCc1cccc(F)c1 |r|
Clc1ccc(OC2CN(C2)c2ccccc2)c(OC2CNC2)c1
C[C@@H]1[C@H](CN1Cc1ccccc1)Oc1ccc(Cl)cc1OC1CNC1 |r|
Clc1ccc(OC2CC(C2)c2ccccc2)c(OC2CNC2)c1 |(-6.12,.85,;-4.63,.45,;-3.55,1.54,;-2.06,1.14,;-1.66,-.35,;-.17,-.74,;.92,.35,;2.46,.35,;2.46,1.89,;.92,1.89,;3.55,2.97,;5.03,2.58,;6.12,3.66,;5.72,5.15,;4.24,5.55,;3.15,4.46,;-2.75,-1.43,;-2.35,-2.92,;-3.44,-4.01,;-4.98,-4.01,;-4.98,-5.55,;-3.44,-5.55,;-4.24,-1.04,)|
CC(C)(C)N1CC(C1)Oc1cc(Br)ccc1OCc1cccc(F)c1
CC(C)(C)N1CC(C1)Oc1cc(Cl)ccc1OCc1cccc(c1)C(F)(F)F
CC(Oc1ccc(Cl)cc1OC1CN(C1)C(C)(C)C)c1cccc(c1)C(F)(F)F
FC(F)(F)c1ccc(COc2ccc(Br)cc2CC2CNC2)o1
Clc1cccc(COc2ccc(Br)cc2OCC2CNC2)c1
Brc1ccc(Oc2ccccc2)c(OC2CNC2)c1
Clc1cccc(Oc2ccc(Br)cc2OC2CNC2)c1
Clc1ccc(Oc2ccc3ccccc3c2)c(OC2CNC2)c1
Clc1ccc(Oc2nc3ccccc3o2)c(OC2CNC2)c1
Brc1ccc(C(=O)c2ccc3ccccc3c2)c(OC2CNC2)c1
Brc1ccc(C(=O)c2ccc3OCOc3c2)c(OC2CNC2)c1
CCN(CC)CC1(CCCCC1)c1ccc(Cl)c(Cl)c1
CN(C)CC1(CCCCC1)c1ccc(Cl)c(Cl)c1
NCC1(CCCCC1)c1ccc(Cl)c(Cl)c1
CNCC1(CCCCC1)c1ccc(Cl)c(Cl)c1
CCN(C)CC1(CCCCC1)c1ccc(Cl)c(Cl)c1
CCNCC1(CCCCC1)c1ccc(Cl)c(Cl)c1
CNCC1(CCCCC1CO)c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1Cl)C1(CNC2CC2)CCCCC1
CN(C)CC1(CCCCC1CO)c1ccc(Cl)c(Cl)c1
CC1CCCCC1(CN)c1ccc(Cl)c(Cl)c1
CC1CCCCC1(CN(C)C)c1ccc(Cl)c(Cl)c1
CNCC1(CCCCC1C)c1ccc(Cl)c(Cl)c1
CCNCC1(CCCCC1C)c1ccc(Cl)c(Cl)c1
NCC1(CCCCC1)c1cccc(Cl)c1
NCC1(CCCCC1)c1ccc(Cl)cc1
NCC1(CCCCC1)c1ccc(F)c(F)c1
NCC1(CCCCC1)c1ccccc1
CNCC1(CCCCC1)c1ccccc1
CNCC1(CCCCC1)c1cccc(Cl)c1
CN(C)CC1(CCCCC1)c1ccc(cc1)C(F)(F)F
CN(C)CC1(CCCCC1)c1ccc2OCOc2c1
CNCC1(CCCCC1)c1ccc(cc1)C(F)(F)F
CNCC1(CCCCC1)c1ccc2OCOc2c1
CNCC1(CCCCC1)c1ccc(F)c(F)c1
CNCC1(CCCC1)c1ccc(Cl)c(Cl)c1
CN(C)CC1(CCCC1)c1ccc(Cl)c(Cl)c1
NCC1(CCCCC1)c1ccc(F)c(Cl)c1
NCC1(CCCC1)c1ccc(Cl)c(Cl)c1
CN(C)CC1(CCCCC1)c1cccc(Cl)c1
CN(C)CC1(CCCCC1)c1ccc(F)c(F)c1
NCC1(CCCCC1)c1ccc2ccccc2c1
NCC1(CCCCC1)c1ccc(Cl)c(F)c1
CN(C)CC1(CCCCC1)c1cccc(c1)C(F)(F)F
CN(C)CC1(CCCCC1)c1cccc(F)c1
CNCC1(CCCCC1)c1cccc(c1)C(F)(F)F
CNCC1(CCCCC1)c1cccc(F)c1
NCC1(CCCCC1)c1ccc(cc1)C(F)(F)F
NCC1(CCCCC1)c1ccc2OCOc2c1
NCC1(CCCCC1)c1cccc(c1)C(F)(F)F
NCC1(CCCCC1)c1cccc(F)c1
CNCC1(CCCCC1)c1ccc(Cl)cc1
CN(C)CC1(CCCCC1)c1ccc(Cl)cc1
CNCC1(CCCCC1)c1ccc(F)c(Cl)c1
CN(C)CC1(CCCCC1)c1ccc(F)c(Cl)c1
CNCC1(CCCCC1)c1ccc(Cl)c(F)c1
NCC1(CCCCC1)c1ccc(F)cc1
CNCC1(CCCCC1)c1ccc(F)cc1
CN(C)CC1(CCCCC1)c1ccc(F)cc1
CNCC1(CCCCC1)c1ccc2ccccc2c1
CN(C)CC1(CCCCC1)c1ccc2ccccc2c1
CN(C)CC1(CCCCC1)c1ccc(Cl)c(F)c1
CN(C)CC1(CCCCC1)c1ccccc1
CNCC1(CCCCC1O)c1ccc(Cl)c(Cl)c1
CN(C)CC1(CCCCC1O)c1ccc(Cl)c(Cl)c1
CNCC1(CCCC1CO)c1ccc(Cl)c(Cl)c1
NCC1(CCC1)c1ccc(Cl)c(Cl)c1
CN(C)CC1(CCC1)c1ccc(Cl)c(Cl)c1
CN1COC2CCCCC2(C1)c1ccc(Cl)c(Cl)c1
CC(N)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
CCNCC1(CCCCC1CO)c1ccc(Cl)c(Cl)c1
CNCC1(CCC1)c1ccc(Cl)c(Cl)c1
NC[C@]1(CCCC[C@H]1O)c1ccc(Cl)c(Cl)c1 |r|
CNC(C)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
CC(N(C)C)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
CC(C)CC(N)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1Cl)C1(CN2CCCCC2)CCCCC1
NCC1(CCCCCC1)c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1Cl)C1(CN2CCOCC2)CCCCC1
Clc1ccc(cc1Cl)C1(CN2CCCC2)CCCCC1
CN1CCN(CC2(CCCCC2)c2ccc(Cl)c(Cl)c2)CC1
NCC1(CCCC(O)C1)c1ccc(Cl)c(Cl)c1
CNCC1(CCCC(O)C1)c1ccc(Cl)c(Cl)c1
OC1CCCC1NCC1(CCCCC1)c1ccc(Cl)c(Cl)c1
OC1CCCCC1NCC1(CCCCC1)c1ccc(Cl)c(Cl)c1
CC1CCCN1CC1(CCCCC1)c1ccc(Cl)c(Cl)c1
CC1CCCN(CC2(CCCCC2)c2ccc(Cl)c(Cl)c2)C1
OC1Cc2ccccc2C1NCC1(CCCCC1)c1ccc(Cl)c(Cl)c1
CN(C)CC1(CCCC(O)C1)c1ccc(Cl)c(Cl)c1
CNC(CC(C)C)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
CC(C)CC(N(C)C)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
NCC1(CCC(O)C1)c1ccc(Cl)c(Cl)c1
CNCC1(CC=CC1)c1ccc(Cl)c(Cl)c1 |c:5|
NCC1(CCC(F)CC1)c1ccc(Cl)c(Cl)c1 |(8.02,-2.95,;6.51,-3.22,;5.98,-4.67,;7.5,-4.94,;8.02,-6.38,;7.03,-7.56,;7.56,-9.01,;5.52,-7.3,;4.99,-5.85,;4.65,-3.9,;3.31,-4.67,;1.98,-3.9,;1.98,-2.36,;.65,-1.59,;3.31,-1.59,;3.31,-.05,;4.65,-2.36,)|
CN(C)CC1(CCC(F)CC1)c1ccc(Cl)c(Cl)c1 |(2.1,-8.48,;1.11,-7.3,;-.41,-7.56,;1.64,-5.85,;.65,-4.67,;-.34,-5.85,;-1.86,-5.58,;-2.39,-4.13,;-3.9,-3.87,;-1.4,-2.95,;.12,-3.22,;1.98,-3.9,;3.31,-4.67,;4.65,-3.9,;4.65,-2.36,;5.98,-1.59,;3.31,-1.59,;3.31,-.05,;1.98,-2.36,)|
NCC1(CCC=CC1)c1ccc(Cl)c(Cl)c1 |c:5|
CN(C)CC1(CCC=CC1)c1ccc(Cl)c(Cl)c1 |c:7|
NCC1(CCC(O)CC1)c1ccc(Cl)c(Cl)c1
COc1ccc(cc1)C1(CCCCC1)C(C)N
CNCC1(CCC(O)CC1)c1ccc(Cl)c(Cl)c1 |(6.04,-.6,;5.52,-2.04,;6.51,-3.22,;5.98,-4.67,;7.5,-4.94,;8.02,-6.38,;7.03,-7.56,;7.56,-9.01,;5.52,-7.3,;4.99,-5.85,;4.65,-3.9,;3.31,-4.67,;1.98,-3.9,;1.98,-2.36,;.65,-1.59,;3.31,-1.59,;3.31,-.05,;4.65,-2.36,)|
COC1CCC(CN)(CC1)c1ccc(Cl)c(Cl)c1 |(9.08,-9.28,;7.56,-9.01,;7.03,-7.56,;8.02,-6.38,;7.5,-4.94,;5.98,-4.67,;6.51,-3.22,;8.02,-2.95,;4.99,-5.85,;5.52,-7.3,;4.65,-3.9,;3.31,-4.67,;1.98,-3.9,;1.98,-2.36,;.65,-1.59,;3.31,-1.59,;3.31,-.05,;4.65,-2.36,)|
COC1CCC(CN(C)C)(CC1)c1ccc(Cl)c(Cl)c1 |(-4.89,-5.05,;-3.9,-3.87,;-2.39,-4.13,;-1.86,-5.58,;-.34,-5.85,;.65,-4.67,;1.64,-5.85,;1.11,-7.3,;2.1,-8.48,;-.41,-7.56,;.12,-3.22,;-1.4,-2.95,;1.98,-3.9,;3.31,-4.67,;4.65,-3.9,;4.65,-2.36,;5.98,-1.59,;3.31,-1.59,;3.31,-.05,;1.98,-2.36,)|
CN(C)CC1(CCC(O)CC1)c1ccc(Cl)c(Cl)c1 |(2.1,-8.48,;1.11,-7.3,;-.41,-7.56,;1.64,-5.85,;.65,-4.67,;-.34,-5.85,;-1.86,-5.58,;-2.39,-4.13,;-3.9,-3.87,;-1.4,-2.95,;.12,-3.22,;1.98,-3.9,;3.31,-4.67,;4.65,-3.9,;4.65,-2.36,;5.98,-1.59,;3.31,-1.59,;3.31,-.05,;1.98,-2.36,)|
CNC(C)C1(CCCCC1)c1ccc(OC)cc1
CNCC1(CCC(CC1)OC)c1ccc(Cl)c(Cl)c1 |(6.04,-.6,;5.52,-2.04,;6.51,-3.22,;5.98,-4.67,;7.5,-4.94,;8.02,-6.38,;7.03,-7.56,;5.52,-7.3,;4.99,-5.85,;7.56,-9.01,;9.08,-9.28,;4.65,-3.9,;3.31,-4.67,;1.98,-3.9,;1.98,-2.36,;.65,-1.59,;3.31,-1.59,;3.31,-.05,;4.65,-2.36,)|
CC(N)C1(CCCCC1)c1cccs1
CC(N)C1(CCCCC1)c1ccc(cc1)-c1ccccc1
NCC1(CCC(O)CC1)c1ccc(Cl)c(Cl)c1
NCC1(CCCCC1)c1ccc(cc1)-c1ccccc1
NCC1(CCCCC1)c1cccs1
CNCC1(CCCCC1)c1ccc(cc1)-c1ccccc1
NCC1(CCCCC1)c1ccc(S)cc1
CNCC1(CCC(F)CC1)c1ccc(Cl)c(Cl)c1 |(6.04,-.6,;5.52,-2.04,;6.51,-3.22,;5.98,-4.67,;7.5,-4.94,;8.02,-6.38,;7.03,-7.56,;7.56,-9.01,;5.52,-7.3,;4.99,-5.85,;4.65,-3.9,;3.31,-4.67,;1.98,-3.9,;1.98,-2.36,;.65,-1.59,;3.31,-1.59,;3.31,-.05,;4.65,-2.36,)|
CC(N)C1(CCCCC1)c1ccc(Cl)cc1
NCC1(CCC(CC1)Oc1ccccc1)c1ccc(Cl)c(Cl)c1 |(13.08,-3.91,;11.56,-4.18,;11.04,-5.63,;12.55,-5.89,;13.08,-7.34,;12.09,-8.52,;10.57,-8.25,;10.05,-6.8,;12.62,-9.97,;11.63,-11.15,;12.15,-12.59,;11.16,-13.77,;9.65,-13.51,;9.12,-12.06,;10.11,-10.88,;9.7,-4.86,;8.37,-5.63,;7.03,-4.86,;7.03,-3.32,;5.7,-2.55,;8.37,-2.55,;8.37,-1.01,;9.7,-3.32,)|
CN(C)CC1(CCC(CC1)Oc1ccccc1)c1ccc(Cl)c(Cl)c1 |(7.15,-9.43,;6.16,-8.25,;4.65,-8.52,;6.69,-6.8,;5.7,-5.63,;4.71,-6.8,;3.19,-6.54,;2.67,-5.09,;3.66,-3.91,;5.17,-4.18,;1.15,-4.82,;.62,-3.38,;-.89,-3.11,;-1.42,-1.66,;-.43,-.48,;1.09,-.75,;1.61,-2.2,;7.03,-4.86,;8.37,-5.63,;9.7,-4.86,;9.7,-3.32,;11.04,-2.55,;8.37,-2.55,;8.37,-1.01,;7.03,-3.32,)|
NCC1(CCCCC1)c1cccc2ccccc12
CNCC1(CCCCC1)c1cccc2ccccc12
CNC(C)C1(CCCCC1)c1cccs1
CNC(C)C1(CCCCC1)c1ccc(Cl)cc1
CNCC1(CCCCC1OC)c1ccc(Cl)c(Cl)c1
CC(C)C(N)C1(CCCCC1)c1ccc(Cl)cc1
NCC1(CCC(F)(F)CC1)c1ccc(Cl)c(Cl)c1
CNCC1(CCC(F)(F)CC1)c1ccc(Cl)c(Cl)c1
CNC(=O)C1(CCCCC1O)c1ccc2ccccc2c1
COC1CCCCC1(CN(C)C)c1ccc(Cl)c(Cl)c1
CSc1ccc(cc1)C1(CN(C)C)CCCCC1
CC(N)C1(CCCCC1)c1ccc2ccccc2c1
CO[C@@H]1CCC[C@@](C1)(C#N)c1ccc(Cl)c(Cl)c1 |r|
CNCC1(CCCC(C1)OC)c1ccc(Cl)c(Cl)c1
COC1CCCC(CN(C)C)(C1)c1ccc(Cl)c(Cl)c1
NC[C@]1(CCC[C@H](C1)C(O)=O)c1ccc(Cl)c(Cl)c1 |r|
NCC1(CCCC(F)(F)C1)c1ccc(Cl)c(Cl)c1
CNCC1(CCCC(F)(F)C1)c1ccc(Cl)c(Cl)c1
CNC[C@]1(CCCC[C@H]1O)c1ccc2ccccc2c1 |r|
CNC[C@@]1(CCCC[C@@H]1O)c1ccc2ccccc2c1 |r|
NCC1(CCCCC1)c1ccc(OC(F)F)cc1
CN(C)CC1(CCCC(F)(F)C1)c1ccc(Cl)c(Cl)c1
CN(C)CC1(CCCCC1O)c1ccc2ccccc2c1
CN(C)CC1(CCCCC1)c1cccc2ccccc12
CNC(C(C)C)C1(CCCCC1)c1ccc(Cl)cc1
CC(N(C)C)C1(CCCCC1)c1ccc2ccccc2c1
CO[C@@H]1CCC[C@](C1)(C#N)c1ccc(Cl)c(Cl)c1 |r|
CNCC1(CCC2(CC1)OCCO2)c1ccc(Cl)c(Cl)c1
CN(C)CC1(CCC2(CC1)OCCO2)c1ccc(Cl)c(Cl)c1
CNCC1(CCC(=O)CC1)c1ccc(Cl)c(Cl)c1
CCN(C)C1CCC(CN)(CC1)c1ccc(Cl)c(Cl)c1
CCC(N)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
CC(N)C1(CCCCC1)c1cccc2ccccc12
CCC(N)C1(CCCCC1)c1ccc(Cl)cc1
CC(N)C1(CCCCC1)c1ccc(OC(F)(F)F)cc1
CNC(C)C1(CCCCC1)c1ccc2ccccc2c1
CC1(O)CCC(CN)(CC1)c1ccc(Cl)c(Cl)c1 |(1.6,-6.39,;2.32,-5.03,;3.05,-6.39,;3.66,-4.26,;3.66,-2.72,;2.32,-1.95,;1.33,-.77,;-.18,-1.04,;.99,-2.72,;.99,-4.26,;3.31,-.77,;4.83,-1.04,;5.82,.14,;5.29,1.59,;6.28,2.77,;3.78,1.86,;3.25,3.3,;2.79,.68,)|
CNCC1(CCC(C)(O)CC1)c1ccc(Cl)c(Cl)c1 |(6.04,-.6,;5.52,-2.04,;6.51,-3.22,;5.98,-4.67,;7.5,-4.94,;8.02,-6.38,;7.03,-7.56,;6.82,-9.09,;8.18,-8.59,;5.52,-7.3,;4.99,-5.85,;4.65,-3.9,;3.31,-4.67,;1.98,-3.9,;1.98,-2.36,;.65,-1.59,;3.31,-1.59,;3.31,-.05,;4.65,-2.36,)|
CNCC1(CCCCC1O)c1ccc(OC)cc1
CC(N)C1(CCCCC1)c1ccc(cc1)-c1ccoc1
CC(C)CC(N)C1(CCCCC1)c1ccc(Cl)cc1
NCC1(CCC(O)CC1)c1ccc2ccccc2c1 |(.46,2.63,;.99,1.18,;;-.53,-1.45,;-2.04,-1.71,;-3.03,-.53,;-4.55,-.8,;-2.51,.91,;-.99,1.18,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,)|
CC1(O)CCC(CN)(CC1)c1ccc2ccccc2c1 |(-4.5,-.06,;-3.03,-.53,;-4.25,-1.48,;-2.04,-1.71,;-.53,-1.45,;;.99,1.18,;.46,2.63,;-.99,1.18,;-2.51,.91,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,)|
CNCC1(CCC(C)(O)CC1)c1ccc2ccccc2c1 |(-2.55,-1.72,;-1.17,-2.4,;.11,-1.54,;;.72,1.36,;-.09,2.67,;-1.63,2.61,;-3.1,3.09,;-1.42,4.14,;-2.36,1.25,;-1.54,-.05,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,)|
CN(C)CC1(CCC(C)(O)CC1)c1ccc2ccccc2c1 |(1.45,3.81,;.46,2.63,;-1.05,2.89,;.99,1.18,;;-.53,-1.45,;-2.04,-1.71,;-3.03,-.53,;-4.5,-.06,;-4.25,-1.48,;-2.51,.91,;-.99,1.18,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,)|
CC(N)C1(CCCCC1)c1ccc(cc1)-c1ccco1
COc1ccc(cc1)C1(CN(C)C)CCCCC1O
CNCC1(CCCCC1O)c1ccc(Cl)cc1
CNCC1(CCCCC1O)c1cccc(Cl)c1
CC1(O)CCCC(CN)(C1)c1ccc(Cl)c(Cl)c1
CNCC1(CCCC(C)(O)C1)c1ccc(Cl)c(Cl)c1
CN(C)CC1(CCCC(C)(O)C1)c1ccc(Cl)c(Cl)c1
NCC1(CCCCC1)c1ccc(cc1)-c1cc(F)cc(F)c1
CNCC1(CCC(O)CC1)c1ccc2ccccc2c1 |(1.45,3.81,;.46,2.63,;.99,1.18,;;-.53,-1.45,;-2.04,-1.71,;-3.03,-.53,;-4.55,-.8,;-2.51,.91,;-.99,1.18,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,)|
CN(C)CC1(CCC(O)CC1)c1ccc2ccccc2c1 |(1.45,3.81,;.46,2.63,;-1.05,2.89,;.99,1.18,;;-.53,-1.45,;-2.04,-1.71,;-3.03,-.53,;-4.55,-.8,;-2.51,.91,;-.99,1.18,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,)|
CN(C)CC1(CCCCC1O)c1ccc(Cl)cc1
NCC1(CCC(Cl)CC1)c1ccc2ccccc2c1 |(-1.17,-2.4,;.11,-1.54,;;.72,1.36,;-.09,2.67,;-1.63,2.61,;-2.45,3.92,;-2.36,1.25,;-1.54,-.05,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,)|
CN(C)CC1(CCC(Cl)CC1)c1ccc2ccccc2c1 |(-1.06,-3.93,;-1.17,-2.4,;-2.55,-1.72,;.11,-1.54,;;.72,1.36,;-.09,2.67,;-1.63,2.61,;-2.45,3.92,;-2.36,1.25,;-1.54,-.05,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,)|
CNC(C)C1(CCC(O)CC1)c1ccc2ccccc2c1 |(2.88,2.89,;1.49,2.21,;1.38,.68,;2.92,.73,;;-.82,-1.31,;-2.36,-1.25,;-3.08,.11,;-4.62,.16,;-2.26,1.41,;-.72,1.36,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,)|
NCC1(CCC=CC1)c1ccc2ccccc2c1 |c:5|
NCC1(CCC(F)CC1)c1ccc2ccccc2c1 |(-1.17,-2.4,;.11,-1.54,;;.72,1.36,;-.09,2.67,;-1.63,2.61,;-2.45,3.92,;-2.36,1.25,;-1.54,-.05,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,)|
CC(N(C)C)C1(CCCCC1)c1cccc2ccccc12
CCC(N(C)C)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
CNC(C)C1(CCCCC1)c1cccc2ccccc12
CN(C)CC1(CCC=CC1)c1ccc2ccccc2c1 |c:7|
CNCC1(CCC(F)CC1)c1ccc2ccccc2c1 |(-2.55,-1.72,;-1.17,-2.4,;.11,-1.54,;;.72,1.36,;-.09,2.67,;-1.63,2.61,;-2.45,3.92,;-2.36,1.25,;-1.54,-.05,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,)|
CN(C)CC1(CCC(F)CC1)c1ccc2ccccc2c1 |(-1.06,-3.93,;-1.17,-2.4,;-2.55,-1.72,;.11,-1.54,;;.72,1.36,;-.09,2.67,;-1.63,2.61,;-2.45,3.92,;-2.36,1.25,;-1.54,-.05,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,)|
CCC(NC)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
CC(N(C)C)C1(CCC(C)(O)CC1)c1ccc2ccccc2c1 |(2.51,.91,;.99,1.18,;.46,2.63,;1.45,3.81,;-1.05,2.89,;;-.53,-1.45,;-2.04,-1.71,;-3.03,-.53,;-4.5,-.06,;-4.25,-1.48,;-2.51,.91,;-.99,1.18,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,)|
CC(N(C)C)C1(CCCCC1)c1ccc(OC(F)(F)F)cc1
CNC(C)C1(CCCCC1)c1ccc(OC(F)(F)F)cc1
CNCC1(CCC=CC1)c1ccc2ccccc2c1 |c:6|
NCC1(CCCCC1)c1ccc(Cl)cc1Cl
CNCC1(CCCCC1)c1ccc(Cl)cc1Cl
CN(C)CC1(CCCCC1)c1ccc(Cl)cc1Cl
CCC1(O)CCC(CN)(CC1)c1ccc(Cl)c(Cl)c1 |(2.42,-7.7,;1.6,-6.39,;2.32,-5.03,;3.05,-6.39,;3.66,-4.26,;3.66,-2.72,;2.32,-1.95,;1.33,-.77,;-.18,-1.04,;.99,-2.72,;.99,-4.26,;3.31,-.77,;4.83,-1.04,;5.82,.14,;5.29,1.59,;6.28,2.77,;3.78,1.86,;3.25,3.3,;2.79,.68,)|
CCC1(O)CCC(CNC)(CC1)c1ccc(Cl)c(Cl)c1 |(8.03,-10.04,;6.82,-9.09,;7.03,-7.56,;8.18,-8.59,;8.02,-6.38,;7.5,-4.94,;5.98,-4.67,;6.51,-3.22,;5.52,-2.04,;6.04,-.6,;4.99,-5.85,;5.52,-7.3,;4.65,-3.9,;3.31,-4.67,;1.98,-3.9,;1.98,-2.36,;.65,-1.59,;3.31,-1.59,;3.31,-.05,;4.65,-2.36,)|
CCC1(O)CCC(CN(C)C)(CC1)c1ccc(Cl)c(Cl)c1 |(-5.03,-3.76,;-3.6,-3.19,;-2.39,-4.13,;-3.85,-4.61,;-1.86,-5.58,;-.34,-5.85,;.65,-4.67,;1.64,-5.85,;1.11,-7.3,;2.1,-8.48,;-.41,-7.56,;.12,-3.22,;-1.4,-2.95,;1.98,-3.9,;3.31,-4.67,;4.65,-3.9,;4.65,-2.36,;5.98,-1.59,;3.31,-1.59,;3.31,-.05,;1.98,-2.36,)|
CCCCC(N)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
CCCCCCC(N)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
NCC1(CCC(O)CC1)c1ccc2OCOc2c1 |(4.73,-1.32,;4.21,.12,;5.2,1.3,;5.72,2.75,;7.24,3.02,;8.23,1.84,;9.75,2.11,;7.7,.39,;6.19,.12,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;2.53,1.3,)|
CNCC1(CCC(O)CC1)c1ccc2OCOc2c1 |(5.26,1.23,;4.73,-.22,;5.72,-1.4,;5.2,-2.84,;6.71,-3.11,;7.24,-4.56,;6.25,-5.74,;6.78,-7.18,;4.73,-5.47,;4.21,-4.02,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,)|
CN(C)CC1(CCC(O)CC1)c1ccc2OCOc2c1 |(7.77,.32,;7.24,-1.13,;8.23,-2.31,;5.72,-1.4,;5.2,-2.84,;6.71,-3.11,;7.24,-4.56,;6.25,-5.74,;6.78,-7.18,;4.73,-5.47,;4.21,-4.02,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,)|
CC1(O)CCC(CN)(CC1)c1ccc2OCOc2c1 |(9.7,1.36,;8.23,1.84,;9.44,2.79,;7.24,3.02,;5.72,2.75,;5.2,1.3,;4.21,.12,;4.73,-1.32,;6.19,.12,;7.7,.39,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;2.53,1.3,)|
CNCC1(CCC(C)(O)CC1)c1ccc2OCOc2c1 |(5.26,1.23,;4.73,-.22,;5.72,-1.4,;5.2,-2.84,;6.71,-3.11,;7.24,-4.56,;6.25,-5.74,;6.04,-7.26,;7.4,-6.77,;4.73,-5.47,;4.21,-4.02,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,)|
CN(C)CC1(CCC(C)(O)CC1)c1ccc2OCOc2c1 |(7.77,.32,;7.24,-1.13,;8.23,-2.31,;5.72,-1.4,;5.2,-2.84,;6.71,-3.11,;7.24,-4.56,;6.25,-5.74,;6.04,-7.26,;7.4,-6.77,;4.73,-5.47,;4.21,-4.02,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,)|
NCC1(CCCCC1)c1ccc2cc(F)ccc2c1
CNCC1(CCCCC1)c1ccc2cc(F)ccc2c1
CN(C)CC1(CCCCC1)c1ccc2cc(F)ccc2c1
CN1Cc2c3OCOc3ccc2C2(CCC(C)(O)CC2)C1 |(7.43,4.91,;7.61,3.38,;9.03,2.77,;9.21,1.24,;10.63,.64,;12.03,1.29,;13.08,.16,;12.33,-1.19,;10.82,-.89,;9.58,-1.82,;8.17,-1.21,;7.98,.32,;6.57,.92,;5.15,1.53,;3.92,.6,;4.1,-.92,;3.75,-2.42,;2.56,-.84,;5.52,-1.53,;6.75,-.6,;6.38,2.45,)|
NCC1(CCC(O)(CF)CC1)c1ccc2ccccc2c1 |(.46,2.63,;.99,1.18,;;-.53,-1.45,;-2.04,-1.71,;-3.03,-.53,;-4.25,-1.48,;-4.5,-.06,;-5.64,-1.09,;-2.51,.91,;-.99,1.18,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,)|
CNCC1(CCC(O)(CF)CC1)c1ccc2ccccc2c1 |(-2.55,-1.72,;-1.17,-2.4,;.11,-1.54,;;.72,1.36,;-.09,2.67,;-1.63,2.61,;-1.42,4.14,;-3.1,3.09,;-3.42,4.59,;-2.36,1.25,;-1.54,-.05,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,)|
CN(C)CC1(CCC(O)(CF)CC1)c1ccc2ccccc2c1 |(1.45,3.81,;.46,2.63,;-1.05,2.89,;.99,1.18,;;-.53,-1.45,;-2.04,-1.71,;-3.03,-.53,;-4.25,-1.48,;-4.5,-.06,;-5.64,-1.09,;-2.51,.91,;-.99,1.18,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,)|
CC(N)C1(CCCCC1)c1ccc(cc1)-c1nccs1
CNCC1(CCCCC1O)c1ccc(Cl)c(F)c1
NCC1(CCCCC1)c1ccc(F)c2ccccc12
CNCC1(CCCCC1)c1ccc(F)c2ccccc12
CN(C)CC1(CCCCC1)c1ccc(F)c2ccccc12
CN(C)CC1(CCCCC1O)c1ccc(Cl)c(F)c1
CNCC1(CCCCC1O)c1ccc(OC(F)(F)F)cc1
CC1(O)CCC(CN)(CC1)c1ccc(OC(F)(F)F)cc1 |(1.6,-6.39,;2.32,-5.03,;3.05,-6.39,;3.66,-4.26,;3.66,-2.72,;2.32,-1.95,;1.33,-.77,;-.18,-1.04,;.99,-2.72,;.99,-4.26,;3.31,-.77,;2.79,.68,;3.78,1.86,;5.29,1.59,;6.28,2.77,;5.76,4.22,;5.23,5.66,;7.2,4.74,;4.31,3.69,;5.82,.14,;4.83,-1.04,)|
CNCC1(CCC(C)(O)CC1)c1ccc(OC(F)(F)F)cc1 |(-2.47,-5.32,;-1.65,-6.62,;-.11,-6.57,;.61,-5.21,;1.94,-4.44,;1.94,-2.9,;.61,-2.13,;-.38,-.95,;1.6,-.95,;-.72,-2.9,;-.72,-4.44,;1.33,-6.57,;2.87,-6.62,;3.6,-7.98,;2.78,-9.29,;3.5,-10.65,;5.04,-10.7,;6.58,-10.76,;4.99,-12.24,;5.1,-9.16,;1.24,-9.24,;.52,-7.88,)|
CN(C)CC1(CCC(C)(O)CC1)c1ccc(OC(F)(F)F)cc1 |(-1.17,.14,;-.18,-1.04,;-.71,-2.48,;1.33,-.77,;2.32,-1.95,;3.66,-2.72,;3.66,-4.26,;2.32,-5.03,;1.6,-6.39,;3.05,-6.39,;.99,-4.26,;.99,-2.72,;3.31,-.77,;2.79,.68,;3.78,1.86,;5.29,1.59,;6.28,2.77,;5.76,4.22,;5.23,5.66,;7.2,4.74,;4.31,3.69,;5.82,.14,;4.83,-1.04,)|
NCC1(CCC(O)CC1)c1ccc(OC(F)(F)F)cc1
CNCC1(CCC(O)CC1)c1ccc(OC(F)(F)F)cc1
CN(C)CC1(CCC(O)CC1)c1ccc(OC(F)(F)F)cc1
CCCC1(O)CCC(CN)(CC1)c1ccc(Cl)c(Cl)c1 |(1.69,-9.06,;2.42,-7.7,;1.6,-6.39,;2.32,-5.03,;3.05,-6.39,;3.66,-4.26,;3.66,-2.72,;2.32,-1.95,;1.33,-.77,;-.18,-1.04,;.99,-2.72,;.99,-4.26,;3.31,-.77,;4.83,-1.04,;5.82,.14,;5.29,1.59,;6.28,2.77,;3.78,1.86,;3.25,3.3,;2.79,.68,)|
CCCC1(O)CCC(CNC)(CC1)c1ccc(Cl)c(Cl)c1 |(5.18,-11.19,;5.39,-9.67,;6.82,-9.09,;7.03,-7.56,;8.18,-8.59,;8.02,-6.38,;7.5,-4.94,;5.98,-4.67,;6.51,-3.22,;5.52,-2.04,;6.04,-.6,;4.99,-5.85,;5.52,-7.3,;4.65,-3.9,;3.31,-4.67,;1.98,-3.9,;1.98,-2.36,;.65,-1.59,;3.31,-1.59,;3.31,-.05,;4.65,-2.36,)|
CCCC1(O)CCC(CN(C)C)(CC1)c1ccc(Cl)c(Cl)c1 |(-4.6,-.71,;-3.39,-1.66,;-3.6,-3.19,;-2.39,-4.13,;-3.85,-4.61,;-1.86,-5.58,;-.34,-5.85,;.65,-4.67,;1.64,-5.85,;1.11,-7.3,;2.1,-8.48,;-.41,-7.56,;.12,-3.22,;-1.4,-2.95,;1.98,-3.9,;3.31,-4.67,;4.65,-3.9,;4.65,-2.36,;5.98,-1.59,;3.31,-1.59,;3.31,-.05,;1.98,-2.36,)|
CN(C)CC1(CCCCC1O)c1ccc(OC(F)(F)F)cc1
NCC1(CCC(F)(F)CC1)c1ccc2ccccc2c1
CNCC1(CCC(F)(F)CC1)c1ccc2ccccc2c1
CN(C)CC1(CCC(F)(F)CC1)c1ccc2ccccc2c1
CNCC1(CCCCC1O)c1ccc(cc1)C(F)(F)F
CN(C)CC1(CCCCC1O)c1ccc(cc1)C(F)(F)F
Clc1ccc(cc1Cl)C1(CCCCC1)C1CCCN1
C1CNC(C1)C1(CCCCC1)c1ccc2ccccc2c1
Fc1cccc(OC2CNC2)c1F
Clc1ccc(OC2CNC2)cc1Cl
O=C(CSC(c1ccccc1)c1ccccc1)NCC1CC1
Fc1ccc(cc1)C(SCC(=O)NCC1CC1)c1ccc(F)cc1
Clc1ccc(cc1)C(SCC(=O)NCC1CC1)c1ccc(Cl)cc1
Clc1ccc(cc1)C(SCC(=O)NCCCc1ccccc1)c1ccc(Cl)cc1
C(CSC(c1ccccc1)c1ccccc1)NCC1CC1
O=C(CS(=O)C(c1ccccc1)c1ccccc1)N1CCN(CCCc2ccccc2)CC1
CNCc1cc(OCc2cccc(OC)c2)n(CC2CCCCC2)n1
CNCc1cc(OCc2cc(C)ccc2Cl)n(CC2CCCC2)n1
CCC(CC)n1nc(CNC)cc1OCc1cc(Cl)ccc1F
CNCc1cc(OCc2ccccc2)n(n1)C(CO)C1CCCCC1
NCc1cc(OCc2cc(F)ccc2F)n(CC2CCCC2)n1
CNCc1cc(OC(F)(F)c2ccccc2)n(CC2CCCCC2)n1
CNCc1nn(CC2CCCCC2)c(OCc2cc(F)ccc2F)c1F
CNCc1cc(SCc2ccccc2)n(Cc2ccccc2)n1
CNCc1cc(NCc2ccccc2)n(CC2CCCCC2)n1
CCC(CC)CCn1nc(CNC)cc1OCc1cc(F)ccc1F
CNCc1cc(OCc2cc(Cl)ccc2F)n(CCC2(O)CCCC2)n1
CNCc1cc(OCc2cc(Cl)ccc2F)n(C[C@@H]2CCCCO2)n1 |r|
CNCc1cc(OCc2cc(Cl)ccc2F)n(C[C@H]2CCCCO2)n1 |r|
CN[C@H](C)c1cc(OCc2cc(F)ccc2F)n(CCC2CCCC2)n1 |r|
CN[C@@H](C)c1cc(OCc2cc(F)ccc2F)n(CCC2CCCC2)n1 |r|
Brc1ccc(cc1)C(SCC(=O)NCC1CC1)c1ccc(Br)cc1
O=S(CCNCCN1CCN(CCCc2ccccc2)CC1)C(c1ccccc1)c1ccccc1
Fc1ccc(cc1)C(c1ccc(F)cc1)S(=O)CCNCCN1CCN(CCCc2ccccc2)CC1
CNCc1cc(OCc2ccccc2F)n(CC2CCCCC2)n1
CNCc1cc(OCc2ccc(F)cc2Cl)n(CC2CCCCC2)n1
CNCc1cc(OCc2cc(Cl)ccc2F)n(CC2CCCCC2)n1
CNCc1cc(OCc2cc(F)ccc2Cl)n(CC2CCCCC2)n1
CNCc1cc(OCc2cc(Cl)ccc2Cl)n(CC2CCCCC2)n1
CNCc1cc(OCc2cc(F)ccc2F)n(CC2CC3CCC2C3)n1 |TLB:17:18:21.22:24|
CNCc1cc(OCc2cc(Cl)ccc2F)n(CC2CC3CCC2C3)n1 |TLB:17:18:21.22:24|
CNCc1cc(OCc2cc(F)ccc2F)n(CC2(F)CCCCC2)n1
CNCc1cc(OCc2ccccc2Cl)n(CC2CCCC2)n1
CNCc1cc(OCc2cc(F)ccc2F)n(Cc2ccc(Cl)cc2)n1
CCC(CC)Cn1nc(CNC)cc1OCc1cc(Cl)ccc1F
CNCc1cc(OCc2cc(Cl)ccc2F)n(CCC(C)(C)CO)n1
CNCc1cc(OCc2cc(Cl)ccc2F)n(n1)C(C)C1CCCC1
CNCc1cc(OCc2ccccc2)n(n1)C(C)C1CCCCC1
CNCc1cc(OCc2ccccc2F)n(n1)C(C)C1CCCCC1
CNCc1cc(OCc2ccc(F)cc2)n(n1)C(C)C1CCCCC1
CNCc1cc(OCC2CC=CC=C2Cl)n(n1)C(C)C1CCCCC1 |c:10,12|
CNCc1cc(OCc2ccccc2C)n(n1)C(C)C1CCCCC1
CNCc1cc(OCc2cccc(C)c2)n(n1)C(C)C1CCCCC1
CNCc1cc(OCc2ccc(F)cc2F)n(n1)C(C)C1CCCCC1
CNCc1cc(OCc2ccc(F)cc2Cl)n(n1)C(C)C1CCCCC1
CNCc1cc(OCc2ccc(F)cc2C)n(n1)C(C)C1CCCCC1
CNCc1cc(OCc2cc(F)ccc2F)n(n1)C(C)C1CCCCC1
CNCc1cc(OCc2cc(Cl)ccc2F)n(n1)C(C)C1CCCCC1
CNCc1cc(OCc2cc(C)ccc2F)n(n1)C(C)C1CCCCC1
CN(Cc1cc(OCc2cc(F)ccc2F)n(CC2CCCC2)n1)C(=O)OC(C)(C)C
CNCc1cc(OCc2cccc(Cl)c2)n(CC2OC3CCC2CC3)n1 |(5.26,-3.43,;3.8,-2.95,;3.48,-1.44,;2.01,-.97,;1.54,.5,;-0,.5,;-.77,1.83,;-2.31,1.83,;-3.08,3.16,;-2.31,4.5,;-3.08,5.83,;-4.62,5.83,;-5.39,4.5,;-6.93,4.5,;-4.62,3.16,;-.48,-.97,;-1.96,-1.37,;-2.36,-2.86,;-1.27,-3.94,;-1.67,-5.43,;-3.16,-5.83,;-4.25,-4.74,;-3.85,-3.25,;-3.45,-4.74,;-2.12,-3.97,;.77,-1.87,)|
CN[C@@H](C)Cc1ccc2occc2c1 |r|
CN[C@H](C)Cc1ccc2occc2c1 |r|
CN[C@@H](C)Cc1ccc2ccoc2c1 |r|
CN[C@H](C)Cc1ccc2ccoc2c1 |r|
CC[C@H](NC)C(=O)c1ccc2occc2c1 |r|
CC[C@@H](NC)C(=O)c1ccc2occc2c1 |r|
CC[C@H](NC)C(=O)c1ccc2ccoc2c1 |r|
CC[C@@H](NC)C(=O)c1ccc2ccoc2c1 |r|
CN[C@H](C)C(=O)c1ccc2occc2c1 |r|
CN[C@@H](C)C(=O)c1ccc2occc2c1 |r|
CN[C@H](C)C(=O)c1ccc2ccoc2c1 |r|
CN[C@@H](C)C(=O)c1ccc2ccoc2c1 |r|
C1Cc2oc3ccccc3c2CCN1
CN1CCc2oc3ccccc3c2CC1
C1CNCc2c(C1)oc1ccccc21
CN1CCCc2oc3ccccc3c2C1
CCC1CC2CC3C1N2CCc1c3oc2ccc(O)cc12 |TLB:3:4:12.11.10.9:7,20:11:7:5.4,13:12:7:5.4,THB:2:7:12.11.10.9:5.4,1:2:8:6.5,12:6:8:2.3,9:8:6.5:2.3|
CCC1CC2C[C@H]3C1N2CCc1c3oc2ccc(O)cc12 |r,TLB:3:4:12.11.10.9:7,THB:1:2:8:6.5,12:6:8:2.3,9:8:6.5:2.3|
CCC1CC2C[C@@H]3C1N2CCc1c3oc2ccc(O)cc12 |r,TLB:3:4:12.11.10.9:7,THB:1:2:8:6.5,12:6:8:2.3,9:8:6.5:2.3|
Fc1ccc(OCCCN2CC[C@H]3[C@@H](C2)c2cccc4NC(=O)CN3c24)cc1 |r|
Fc1ccc(OCCCN2CC[C@H]3C(C2)c2cccc4NC(=O)CN3c24)cc1 |r|
CN[C@@]1(CCCCC1=O)c1ccc(F)cc1 |r|
CN[C@]1(CCCCC1=O)c1ccc(F)cc1 |r|
CNC1(CCCCC1=O)c1ccccc1F
CN1CCN2C3CCN(CCCC(=O)c4ccc(F)cc4)CC3c3cccc1c23
CN(C)CCc1c[nH]c2c1cccc2
CN(C)CCc1c[nH]c2c1cc(cc2)OC
CN(C)CCc1c[nH]c2c1c(ccc2)O
CCCN(CC)CCc1c[nH]c2ccccc12
CCN(C)CCc1c[nH]c2ccccc12
CCN(C)CCc1c[nH]c2ccc(F)cc12
CCN(C)CCc1c[nH]c2cccc(O)c12
CNC(C)C(=O)c1ccc2OCOc2c1
CN[C@H](C)C(=O)c1ccc2OCOc2c1 |r|
CN[C@@H](C)C(=O)c1ccc2OCOc2c1 |r|
COc1ccc([C@@]23CC[C@@H](O)C[C@@H]2N(C)CC3)cc1OC
COc1ccc([C@@]23CC[C@H](O)C[C@@H]2N(C)CC3)cc1OC
COC1C=CC([C@@]23CCC(OP4(=O)OCC(C)(C)CO4)=C[C@@H]2N(C)CC3)=CC1OC
COc1ccc(C23CCC(O)CC2N(C)CC3)cc1OC
COc1ccc(C23CC[C@H](O)CC2N(C)CC3)cc1OC
CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1[N@](C2)CCc4c3[nH]c5c4cc(cc5)OC
COc1cc(CC(C)N)c(OC)cc1Br
CNC(C)Cc1ccc2c(c1)OCO2
COc1cc(cc(c1OC)OC)CCN
COc1cc(CCN)c(OC)cc1Br
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
CCN(CC)C(=O)N[C@@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C
NCCc1c2CCOc2c(Br)c2CCOc12
COc1cc(CC(C)N)c(OC)cc1C
COc1cc(CC(C)N)cc(OC)c1OC
CCc1cc(OC)c(CC(C)N)cc1OC
COc1cc(OC)c(OC)cc1CC(C)N
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
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|
CC(N)Cc1ccc2occ(F)c2c1
CNC(C)Cc1ccc2occ(F)c2c1
CN1C(=O)CN2c3c(cccc31)[C@@H]1CN(CCCOc3ccc(F)cc3)CC[C@@H]12
CN1CCN2c3c1cccc3[C@H]4[C@@H]2CCN(C4)CCCC(=O)c5ccc(cc5)F
CC[C@@H](Cc1ccc2occc2c1)NC
CC[C@H](Cc1ccc2occc2c1)NC
CC[C@@H](Cc1ccc2ccoc2c1)NC
CC[C@H](Cc1ccc2ccoc2c1)NC
CC[C@H](Cc1ccc2ccoc2c1)NC
CC[C@@H](Cc1ccc2ccoc2c1)NC
CC[C@@H](Cc1ccc2occc2c1)NC
CC[C@H](Cc1ccc2occc2c1)NC
CC[C@@H](Cc1ccc2ccoc2c1)NC
CC[C@H](Cc1ccc2ccoc2c1)NC
COc4ccc([C@@]23CC/C(=N\NC(=O)c1cccnc1)C[C@@H]2N(C)CC3)cc4OC
CO/N=C/3CC[C@@]2(c1ccc(OC)c(OC)c1)CCN(C)[C@H]2C3
COc1ccc([C@@]23CCC(OC(C)=O)=C[C@@H]2N(C)CC3)cc1OC
CO/N=C1/CC[C@@]2(c3ccc(OC)c(OC)c3)CCN(C)[C@H]2C1
COc3ccc([C@@]12CC/C(=N\O)C[C@@H]1N(C)CC2)cc3OC
COc1ccc([C@]23CCN(C)[C@H]2CC2(CC3)SCCS2)cc1OC
COc1ccc([C@@]23CCN(C)[C@@H]2CC2(CC3)SCCS2)cc1OC
COc1ccc([C@@]23CCN(C)[C@@H]2CC2(CC3)OCCS2)cc1OC
COc1ccc([C@]23CCN(C)[C@H]2CC2(CC3)OCCS2)cc1OC
COc1cc([C@]23CCN(C)[C@@]2(N)CC2(CC3)OC[C@@H](c3ccccc3)O2)ccc1C
COc1ccc([C@]23CCN(C)[C@H]2CC2(CC3)OC[C@H](c3cccnc3)O2)cc1OC
COc1ccc([C@]23CCN(C)[C@H]2CC2(CC3)OCCO2)cc1OC
COc1ccc([C@@]23CCN(C)[C@@H]2CC2(CC3)OCCO2)cc1OC
COc1ccc([C@]23CCN(C)[C@@]2(N)CC2(CC3)OCC(c3ccncc3)O2)cc1OC
COc1ccc([C@]23CCN(C)[C@@]2(N)CC2(CC3)OCC(c3ccncc3)O2)cc1OC
COc1ccc([C@@]23CCC(=NCC(=O)c4ccncc4)C[C@@H]2N(C)CC3)cc1OC
COc1ccc([C@@]23CCC(=NNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)C[C@@H]2N(C)CC3)cc1OC
COc1ccc([C@@]23CCC(=NNCCc4ccccc4)C[C@@H]2N(C)CC3)cc1OC
COc1ccc([C@@]23CCC(=NCC(=O)CC(CC(=O)O)CC(C)C)C[C@@H]2N(C)CC3)cc1OC
COc4ccc([C@@]23CC/C(=N\CC(=O)NC[C@@H]1CC[C@@H](C(=O)O)CC1)C[C@@H]2N(C)CC3)cc4OC
COc1ccc([C@@]23CCC(OC(=O)c4ccc(C)cc4)=C[C@@H]2N(C)CC3)cc1OC
CCC(=O)OC1=C[C@@H]2N(C)CC[C@]2(c2ccc(OC)c(OC)c2)CC1
COc1ccc([C@@]23CCC(OC(=O)c4c(C)cccc4C)=C[C@@H]2N(C)CC3)cc1OC
COc1ccc([C@@]23CCC(OC(=O)c4cccc(C)c4C)=C[C@@H]2N(C)CC3)cc1OC
COc1ccc([C@@]23CCC(=O)C[C@@H]2N(C)CC3)cc1OC
[H][C@]12CC(=O)C=C[C@]1(CCN2C)c1ccc(OC)c(OC)c1 |r,c:5|
COc4ccc([C@@]23CC[C@@H](n1ccc(C(F)(F)F)n1)C[C@@H]2N(C)CC3)cc4OC
COc1ccc([C@@]23CCC(n4cccn4)C[C@@H]2N(C)CC3)cc1OC
COc1ccc([C@@]23CC[C@H](n4cccn4)C[C@@H]2N(C)CC3)cc1OC
COc1ccc([C@@]23CC[C@@H](N4CCC4)C[C@@H]2N(C)CC3)cc1OC
COc1ccc([C@@]23CC[C@H](N4CCC4)C[C@@H]2N(C)CC3)cc1OC
COc1ccc([C@@]23CC[C@@H](N4CCCC4)C[C@@H]2N(C)CC3)cc1OC
COc1ccc([C@@]23CC[C@H](N4CCCC4)C[C@@H]2N(C)CC3)cc1OC
COc1ccc([C@@]23CC[C@H](N4CCCCC4)C[C@@H]2N(C)CC3)cc1OC
COc1ccc([C@@]23CC[C@H](N4CCOCC4)C[C@@H]2N(C)CC3)cc1OC
COc1ccc([C@@]23CCC(N4CCOCC4)C[C@@H]2N(C)CC3)cc1OC
COc1ccc([C@@]23CC[C@@H](N4CCCC4=O)C[C@@H]2N(C)CC3)cc1OC
COc1ccc([C@@]23CC[C@H](N4CCCC4=O)C[C@@H]2N(C)CC3)cc1OC
COc1ccc([C@]23CCN(C)[C@H]2CC(=O)[C@H]2O[C@H]23)cc1OC
COc1ccc([C@]23CCN(C)[C@H]2CC2(CCO2)CC3)cc1OC
COc1ccc([C@]23CCN(C)[C@H]2CC2(CCCO2)CC3)cc1OC
COc1ccc([C@]23CCN(C)[C@H]2CC(=O)C=C3c2ccccc2)cc1OC
COc1ccc([C@@]23CCN(C)[C@@H]2CC(=O)C[C@@H]3c2ccccc2)cc1OC
COc1ccc([C@]23CCN(C)[C@H]2CC(=O)C[C@H]3c2ccccc2)cc1OC
COc1ccc([C@]23CCN(C)[C@H]2CC(=O)[C@H]2O[C@H]23)cc1OC
COc1ccc([C@@]23CCN(C)[C@@H]2CC(=O)[C@@H]2O[C@@H]23)cc1OC
COc1ccc([C@]23CCN(C)[C@H]2[C@H]2CC[C@@H]3CC2=O)cc1OC
COc1ccc([C@]23CCN(C)[C@H]2[C@@H]2CC[C@H]3CC2=O)cc1OC
COc1ccc([C@@]23CC[C@H](C4CCCC(=O)C4)C[C@@H]2N(C)CC3)cc1OC
COc1ccc([C@]23CC[C@@H](n4ccc(C(F)(F)F)n4)C[C@H]2N(C)CC3)cc1OC
COc1ccc([C@]23CC[C@H](n4ccc(C(F)(F)F)n4)C[C@H]2N(C)CC3)cc1OC
COc1ccc([C@]23CCN(C)[C@H]2[C@@H]2C[C@H]3CC2=O)cc1OC
COc1ccc([C@@]23CCN(C)[C@@H]2[C@H]2C[C@@H]3CC2=O)cc1OC
COc1ccc([C@]23CCN(C)[C@H]2[C@H]2C[C@@H]3CC2=O)cc1OC
COc1ccc([C@@]23CCN(C)[C@@H]2[C@@H]2C[C@H]3CC2=O)cc1OC
COc1ccc([C@]23CCN(C)[C@H]2[C@@H]2CCC[C@H]3CC2=O)cc1OC
COc1ccc([C@@]23CCN(C)[C@@H]2[C@H]2CCC[C@@H]3CC2=O)cc1OC
COc1ccc([C@]23CCN(C)[C@H]2[C@H]2CCC[C@@H]3CC2=O)cc1OC
COc1ccc([C@@]23CCN(C)[C@@H]2[C@@H]2CCC[C@H]3CC2=O)cc1OC
CCN1CC[C@]2(c3ccc(OC)c(OC)c3)CCC(=O)C[C@H]12
COc1ccc([C@@]23CCC(=O)C[C@@H]2N(C(C)C)CC3)cc1OC
CCN1CC[C@@]2(c3ccc(OC)c(OC)c3)CCC(=O)C[C@@H]12
COc1ccc([C@]23CCC(=O)C[C@H]2N(C(C)C)CC3)cc1OC
COc1ccc([C@@]23CCC(=O)C[C@@H]2N(C)CC3)cc1OCC1CC1
CCCCOc1cc([C@@]23CCC(=O)C[C@@H]2N(C)CC3)ccc1OC
CCSc1cc([C@@]23CCC(=O)C[C@@H]2N(C)CC3)ccc1OC
COc1ccc([C@@]23CCC(=O)C[C@@H]2N(C)CC3)cc1OCC(F)(F)F
CCOc1cc([C@@]23CCC(=O)C[C@@H]2N(C)CC3)ccc1OC
COc1ccc([C@@]23CCC(=O)C[C@@H]2N(C)CC3)cc1OCC(F)F
COc1ccc([C@]23CCC(=O)C[C@H]2N(C)CC3)cc1Br
COc1ccc([C@@]23CCC(=O)C[C@@H]2N(C)CC3)cc1Br
COc1ccc([C@@]23CCC(=O)C[C@@H]2N(C)CC3)cc1O
COc1ccc([C@@]23CCC(=O)C[C@@H]2N(C)CC3)cc1OC1CCCC1
COc1ccc([C@@]23CCC(=O)C[C@@H]2N(C)CC3)cc1OCc1ccccc1
C=CCOc1cc([C@@]23CCC(=O)C[C@@H]2N(C)CC3)ccc1OC
C#CCOc1cc([C@@]23CCC(=O)C[C@@H]2N(C)CC3)ccc1OC
CCOc1ccc([C@@]23CCC(=O)C[C@@H]2N(C)CC3)cc1OCC
CCOc1ccc([C@@]23CCC(=O)C[C@@H]2N(C)CC3)cc1OCC1CC1
CSc1cc([C@@]23CCC(=O)C[C@@H]2N(C)CC3)ccc1OC(C)C
CCOc1ccc([C@@]23CCC(=O)C[C@@H]2N(C)CC3)cc1OC1CCCC1
CCOc1ccc([C@@]23CCC(=O)C[C@@H]2N(C)CC3)cc1OC
CN1CC[C@]2(c3ccc(OCC4CC4)c(O)c3)CCC(=O)C[C@H]12
COc1cc([C@@]23CCC(=O)C[C@@H]2N(C)CC3)ccc1OCC1CC1
CCOc1cc([C@@]23CCC(=O)C[C@@H]2N(C)CC3)ccc1OCC1CC1
CN1CC[C@]2(c3ccc(OCC4CC4)c(OCC4CC4)c3)CCC(=O)C[C@H]12
CCCCOc1cc([C@@]23CCC(=O)C[C@@H]2N(C)CC3)ccc1OCC1CC1
C=CCOc1cc([C@@]23CCC(=O)C[C@@H]2N(C)CC3)ccc1OCC1CC1
CN1CC[C@]2(c3ccc(OCC4CC4)c(OC4CCCC4)c3)CCC(=O)C[C@H]12
COc1ccc([C@]23CCC(=O)C=C2N(C)CC3)cc1OC
COc1ccc([C@@]23CCC(=O)C=C2N(C)CC3)cc1OC
COc1ccc([C@@]23CCC(=O)C=C2N(C)CC3)cc1OC1CCCC1
C=CCOc1cc([C@@]23CCC(=O)C=C2N(C)CC3)ccc1OC
CCOc1ccc(C23C=CC(=O)CC2N(C)CC3)cc1OCC
COc1ccc([C@]23CCC(=O)C[C@H]2N(C)CC3)cc1OC
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2CCCN1C(=O)c2ccccc2C1=O |r,THB:2:4:18:6.7,11:10:18:6.7|
[H][C@@]12CC[C@@]([H])([C@H]([C@@H](C1)c1ccccc1)c1ccccc1)N2C |THB:9:7:21:3.2,15:6:21:3.2|
CN1[C@@H]2CCC1C(C(C2)c1ccc(C)cc1)c1ccccc1 |TLB:9:7:1:4.3,16:6:1:4.3|
[H][C@@]12CC[C@@]([H])(C(C(C1)c1ccccc1)c1ccccc1)N2C |THB:9:7:21:3.2,15:6:21:3.2|
CN1CC[C@@H]([C@H](CCCN2CCS[Re]3(=O)SCCN3C(=O)C2)C1)c1ccc(Cl)cc1
COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C |TLB:20:19:4.10.9:6.7,THB:11:10:19:6.7,2:4:19:6.7|
COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)O2 |THB:11:10:19:6.7,2:4:19:6.7|
COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7|
[H][C@@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(F)cc1)C(=O)OC)N2C |r,TLB:9:7:20:3.2,21:20:6.7.8:3.2,THB:16:6:20:3.2|
[O-][N+](=O)c1ccc2nc(ccc2c1)N1CCNCC1
CN1CC[C@@H]([C@H](C1)c1nc(no1)-c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)c1nc(C)no1)c1ccc(Cl)cc1
Fc1ccc(CNC2CCC(NC2)C(c2ccccc2)c2ccccc2)cc1
NC1Cc2cc3OCOc3cc2C1
FC(F)(F)c1cc(OCC(=O)N(Cc2ccccc2Cl)C2CCNCC2)cc(c1)C(F)(F)F
Fc1cc(F)cc(OCC(=O)N(C2CCNCC2)c2ccc(Cl)c(Cl)c2)c1
Cc1cccc(CN(C2CCNCC2)C(=O)COc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1
FC(F)(F)c1cc(OCC(=O)N(C2CCNCC2)c2cc(Cl)cc(Cl)c2)cc(c1)C(F)(F)F
Fc1cc(OCC(=O)N(Cc2cccc(Cl)c2)C2CCNCC2)cc(c1)C(F)(F)F
FC(F)(F)c1cc(CCC(=O)N(Cc2ccccc2Cl)C2CCNCC2)cc(c1)C(F)(F)F
Fc1ccc(cc1)N(C1CCNCC1)C(=O)COc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Clc1cc(Cl)cc(OCC(=O)N(C2CCNCC2)c2ccc(Cl)c(Cl)c2)c1
Cc1cccc(CN(C2CCNCC2)C(=O)CCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1
FC(F)(F)c1cc(OCC(=O)N(Cc2cccc(Cl)c2)C2CCNCC2)cc(c1)C(F)(F)F
FC(F)(F)c1cc(OCC(=O)N(C2CCNCC2)c2ccc(Cl)c(Cl)c2)cc(c1)C(F)(F)F
Fc1cc(OCC(=O)N(C2CCNCC2)c2ccc(Cl)c(Cl)c2)cc(c1)C(F)(F)F
Fc1cc(F)cc(OCC(=O)N(Cc2cccc(Cl)c2)C2CCNCC2)c1
Fc1ccc(cc1)N(C1CCNCC1)C(=O)CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Fc1ccc(cc1)N(CCCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C1CCNCC1
FC(F)(F)c1cc(OCC(=O)N(C2CCNCC2)c2cccc(Cl)c2)cc(c1)C(F)(F)F
Clc1cccc(CN(C2CCNCC2)C(=O)COc2cc(Cl)cc(Cl)c2)c1
Cc1cc(C)cc(OCC(=O)N(Cc2cccc(Cl)c2)C2CCNCC2)c1
Cc1cc(C)cc(OCC(=O)N(C2CCNCC2)c2ccc(Cl)c(Cl)c2)c1
Fc1ccc(CN(C2CCNCC2)C(=O)CCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Fc1ccc(CN(CCCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C2CCNCC2)cc1
CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)C(=O)C(C\C=C\I)C\C=C\I |r,TLB:0:1:6.7.8:4.3,16:6:1:4.3|
COC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:28:27:4.10.9:6.7,11:10:27:6.7,THB:2:4:27:6.7|
CCOC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:29:28:5.11.10:7.8,12:11:28:7.8,THB:3:5:28:7.8|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)NCCCCNC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:16:6:1:4.3,THB:24:26:40:28.29|
COc1cccc2sc(cc12)[C@H]1C[C@@H]2CC[C@H](C1)N2C[C@H](O)COc1cccc2[nH]ccc12 |THB:19:18:11.17.12:14.15|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:29|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC |c:29|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:28|
CN(C)C[C@H]1C2CCC(CC2)[C@@H]1c1cccc(Cl)c1 |wU:11.13,wD:4.3,TLB:12:11:6.7:10.9,THB:3:4:6.7:10.9,(3.18,-2.78,;1.64,-2.8,;.89,-4.14,;.86,-1.47,;1.62,-.12,;3.16,.53,;3.41,2.42,;2.97,3.54,;2.9,1.88,;4.25,1.28,;4.53,-.1,;1.43,1.25,;.09,2.02,;-1.25,1.25,;-2.58,2.02,;-2.58,3.56,;-1.25,4.33,;-1.25,5.87,;.09,3.56,)|
CNCC1C2CCC(C2)C1c1ccc2ccccc2c1
CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1
CN(C)C[C@@H]1C2CCC(C2)[C@H]1c1ccc2ccccc2c1
COc1cccc2sc(cc12)C1CCN(C[C@H](O)COc2cccc3[nH]c(C)cc23)C(C)(C)C1
COC(=O)C1C2CCC(CC1c1ccc(OC)c(OC)c1)N2C |TLB:11:10:21:6.7,THB:2:4:21:6.7|
COC(=O)C1C2CCC(CC1c1ccc(C(C)=O)c(c1)C(C)=O)N2C |TLB:11:10:23:6.7,THB:2:4:23:6.7|
COC(=O)C1C2CCC(CC1c1ccc(O)c(O)c1)N2C |TLB:11:10:19:6.7,THB:2:4:19:6.7|
[H][C@]12CC[C@]([H])(C[C@H](CCOC(c3ccccc3)c3ccccc3)C1)N2C |TLB:8:7:25:2.3|
[H][C@]12CC[C@]([H])(C[C@H](CCOC(c3ccccc3)c3ccccc3)C1)N2CCCc1ccccc1 |TLB:8:7:25:2.3|
[H][C@]12CC[C@]([H])(C[C@H](CCOC(c3ccc(F)cc3)c3ccc(F)cc3)C1)N2CCCc1ccccc1 |TLB:8:7:27:2.3|
Fc1ccc(CNC2CCC(OC2)C(c2ccccc2)c2ccccc2)cc1
NC(=O)c1ccc2C(CCN3CCC(=CC3)c3ccc(F)c4ccoc34)OCCc2c1 |c:13|
NC(=O)c1ccc2[C@@H](CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1 |r,c:13|
Fc1ccc(cc1)C(O[C@H]1CC2C[C@@H](C(C1)N2)C(=O)Oc1ccccc1)c1ccc(F)cc1 |TLB:8:9:16:13.12,THB:17:13:16:15.9.10|
CN1C2C[C@@H](C1C[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCCc1ccccc1 |TLB:25:4:1:6.8.7,THB:9:7:1:4.3|
COS(=O)(=O)[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:14:9:12:5.6,THB:2:5:12:10.8.9|
CC(C)COC(=O)[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:16:11:14:7.8,THB:5:7:14:12.10.11|
CN1C2C[C@@H](C1C[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)Oc1ccccc1 |TLB:25:4:1:6.8.7,THB:9:7:1:4.3|
CCOC(=O)[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:14:9:12:5.6,THB:3:5:12:10.8.9|
CN1C2C[C@@H](C1C[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCc1ccccc1 |TLB:25:4:1:6.8.7,THB:9:7:1:4.3|
CC(C)OC(=O)[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:15:10:13:6.7,THB:4:6:13:11.9.10|
COC(=O)[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:13:8:11:4.5,THB:2:4:11:9.7.8|
[H][C@@](CCNC)(Oc1cccc2cc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)ccc12)c1cccs1
[H][C@@](CCNC)(Oc1cccc2c(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)c(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)ccc12)c1cccs1
[H][C@@](CCNC)(Oc1ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)c2ccccc12)c1cccs1
[H][C@@](CCNC)(Oc1cccc2c(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)c(OC)ccc12)c1cccs1
CNCC[C@H](Oc1cccc2c(O)c(O)ccc12)c1cccs1
COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)n3ccc4cc(F)ccc34)Oc12 |c:17|
COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3ccc4ccccc4c3)Oc12 |c:17|
COC(=O)[C@@H]([C@@H]1CCC[NH2+]1)c1ccc2cc(Br)ccc2c1
COC(=O)[C@@H]([C@@H]1CCC[NH2+]1)c1ccc2cc(C)ccc2c1
COC(=O)[C@@H]([C@@H]1CCC[NH2+]1)c1ccc2ccccc2c1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2ccccc2s1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cccc2ccsc12
COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]c(C)cc23)[C@@H](C)C1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2scc(C)c2c1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2ccsc2c1
COc1cccc2ccc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]c(C)cc23)[C@@H](C)C1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cccc2occc12
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2c(C)csc2c1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2ccoc2c1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2ccccc2c1
CNC1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
CN[C@@H]1C[C@H](c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
CN[C@@H]1C[C@H](c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1
CN[C@H]1C[C@@H](c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1
CN[C@H]1C[C@@H](c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
CNC\C=C(\c1ccc(Cl)cc1)c1cccnc1
OCCN1CCN(CC1)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
CN1CCN(CC1)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
Fc1ccc(cc1)C1CC(N2CCN(C\C=C\c3ccccc3)CC2)c2cc(F)ccc12
CN[C@@H]1CC[C@@H](c2ccc(Cl)cc2)c2ccccc12
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r|
CN[C@H]1CC[C@@H](c2ccc(cc2)C(F)(F)F)c2ccccc12
CN[C@H]1CC[C@@H](c2ccccc2)c2ccccc12
CN[C@H]1CC[C@@H](c2cccc(c2)C(F)(F)F)c2ccccc12
CN[C@H]1CC[C@@H](c2ccc(Cl)c(c2)C(F)(F)F)c2ccccc12
CSc1ccc(cc1)[C@@H]1CN2CCC[C@H]2c2ccccc12 |r|
[H][C@@]12CCCN1C[C@H](c1ccccc1)c1ccccc21 |r|
[H][C@@]12CCCN1C[C@@]([H])(c1ccc(N)cc1)c1ccccc21
[H][C@@]12CCCN1C[C@@H](c1cccc(c1)C(F)(F)F)c1ccccc21
[H][C@@]12CCCN1C[C@H](c1ccccc1)c1ccccc21
[H][C@@]12CCCN1C[C@H](c1cccc(c1)C(F)(F)F)c1ccccc21
[H][C@@]12CCCN1C[C@H](c1ccc(N)cc1)c1ccccc21
CNC1CC(c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1
CNC1CC(c2ccccc12)c1ccc(F)cc1
CN(C)C1CC(c2ccc(cc12)C(F)(F)F)c1ccc(F)cc1
CNC1CC(c2ccccc12)c1ccc(F)c(F)c1
CN(C)C1CC(c2ccccc12)c1ccc(F)cc1
CN(C)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
CNC1CC(c2ccccc12)c1ccc(Br)cc1
CN(C)C1CC(c2ccccc12)c1cccc(Cl)c1
CN(C)C1CC(c2ccccc12)c1ccccc1
CNC1CC(c2ccccc12)c1ccc(Cl)cc1
CN(C)C1CC(c2ccccc12)c1ccc(F)c(F)c1
CNC1CC(c2ccccc12)c1ccc(Cl)cc1Cl
CN(C)C1CC(c2ccccc12)c1ccc(Cl)cc1Cl
CNC1CC(c2ccc(F)cc12)c1ccc(Cl)c(Cl)c1
CNC1CC(c2ccccc12)c1cccc(Cl)c1
COc1ccc2C(CC(N(C)C)c2c1)c1ccc(Cl)c(Cl)c1
CN(C)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
CCN(CC)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
CN(C)C1CC(c2ccc(F)cc12)c1ccc(Cl)c(Cl)c1
CSc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
Fc1ccc(cc1)[C@@H]1C[C@@H](N2CCN(CCN3CCNC3=O)CC2)c2ccccc12
COC(=O)C1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |THB:11:10:27:6.7|
CCC(N)Cc1ccc2NCCc2c1
CC(N)Cc1ccc(cc1C)N(C)C
CC(N)Cc1ccc2NCCc2c1
CCC(N)Cc1ccc2NCCc2c1Cl
CCN1CCc2cc(CC(C)N)c(C)cc12
CC(N)Cc1cc2CCNc2cc1C
CCN1CCc2c1ccc(CC(C)N)c2C
CC(C)(N)Cc1ccc2NCCc2c1
CC(N)Cc1ccc2NCCc2c1C
CC(N)Cc1ccc2NCCc2c1Cl
[H][C@]12CCC(N1)[C@H]([C@H](C2)c1ccc(I)cc1)C(=O)OC(C)C |TLB:9:7:5:3.2,THB:16:6:5:3.2|
[H][C@]12CCC(N1)[C@H]([C@H](C2)c1ccc(CC)cc1)C(=O)OC |TLB:9:7:5:3.2,THB:17:6:5:3.2|
[H][C@]12CCC(N1)[C@H]([C@H](C2)c1ccc(I)cc1)C(=O)OC |TLB:9:7:5:3.2,THB:16:6:5:3.2|
CCC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7,19:18:4.10.9:6.7|
CCC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2C |THB:22:21:4.10.9:6.7,11:10:21:6.7,2:4:21:6.7|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)Oc1ccccc1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3|
CC(C)OC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:4:6:20:8.9,13:12:20:8.9|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)Oc1ccccc1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CC(C)OC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:13:12:20:8.9,THB:4:6:20:8.9|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(=O)Oc1ccccc1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccccc1)N2C |r,TLB:11:10:17:6.7,THB:2:4:17:6.7|
CC(C)OC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C |TLB:13:12:20:8.9,THB:4:6:20:8.9|
CCCNC\C=C(\c1ccc(Br)cc1)c1cccnc1
CN(C)C\C=C(\c1ccc(I)cc1)c1cccnc1
CN(C)C\C=C(/c1cccnc1)c1cccc(F)c1
CN(C)C\C=C(/c1cccnc1)c1ccc(Cl)cc1Cl
CSc1ccc(cc1)C(=C\CN(C)C)\c1cccnc1
CCNC\C=C(\c1ccc(Br)cc1)c1cccnc1
COc1ccc(cc1)C(=C\CN(C)C)\c1cccnc1
CN(C)C\C=C(\c1ccccc1)c1cccnc1
CN(C)CCC(c1ccc(Br)cc1)c1ccccn1
CN(C)C\C=C(\c1ccc(cc1)[Si](C)(C)C)c1cccnc1
CN(C)C\C=C(\c1ccc(F)cc1)c1cccnc1
CNC\C=C(\c1ccc(F)cc1)c1cccnc1
CN(C)C\C=C(\c1ccc(C)cc1)c1cccnc1
CN(C)C\C=C(\c1ccc(cc1)N(C)C)c1ccccn1
CN(C)C\C=C(/c1cccnc1)c1ccccc1Br
CNC\C=C(/c1cccnc1)c1ccc(Cl)cc1Cl
CN(C)C\C=C(\c1ccc(cc1)C(F)(F)F)c1cccnc1
CN(C)C\C=C(/c1cccnc1)c1cccc(Br)c1
CN(C)C\C=C(\c1ccc(cc1)C#N)c1cccnc1
CNC\C=C(/c1cccnc1)c1ccccc1Br
CC(N)C(=O)OC(C)(C)Cc1ccc(Cl)cc1
CN(C)C\C=C(/c1ccncc1)c1ccc(Cl)cc1
CN(C)C\C=C(\c1ccc(Cl)cc1)c1cccnc1
CN(C)C\C=C(/c1cccnc1)c1cccc(Cl)c1
CNC\C=C(/c1cccnc1)c1cccc(Br)c1
CC(C)Oc1ccc(cc1)C(=C\CN(C)C)\c1ccncc1
CN(C)C\C=C(/c1ccncc1)c1cccc(C)c1
COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7|
[H][C@]12CCC(C([C@H](C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OC)N2C |THB:8:6:28:3.2|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2CC(=O)N(C)C |r,THB:2:4:18:6.7|
CCN(CC)C(=O)[C@@]1(C[C@@H]1C(C)N)c1ccccc1
CCN(CC)C(=O)[C@]1(C[C@H]1C(C)N)c1ccccc1
CCC(N)[C@H]1C[C@]1(C(=O)N(CC)CC)c1ccccc1
CCC(N)[C@@H]1C[C@@]1(C(=O)N(CC)CC)c1ccccc1
COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:19:18:4.10.9:6.7,THB:11:10:18:6.7,2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(Br)cc1)O2 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)O2 |THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)O2 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(F)cc1)O2 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccccc1)O2 |TLB:11:10:17:6.7,THB:2:4:17:6.7|
C(C1=NCCN1)C1=Cc2ccccc2CC1 |t:1,7|
[H][C@@]12CC[C@@]([H])([C@@H]([C@@H](C1)c1ccccc1)c1ccccc1)N2C |THB:9:7:21:3.2,15:6:21:3.2|
[H][C@@]12CC[C@@]([H])([C@H]([C@H](C1)c1ccccc1)c1ccccc1)N2C |THB:9:7:21:3.2,15:6:21:3.2|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2C\C=C\I |r,TLB:11:10:7.6:19,20:19:7.6:9.10.4,THB:2:4:7.6:19|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C\C=C\I |r,TLB:11:10:7.6:18,19:18:7.6:9.10.4,THB:2:4:7.6:18|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2Cc1ccccc1 |r,TLB:19:18:7.6:9.10.4,11:10:7.6:18,THB:2:4:7.6:18|
CCN(CC)C(=O)[C@]1(C[C@H]1C(N)C#C)c1ccccc1
Fc1ccc(cc1)[C@@H]1CC2CCC(N2)[C@H]1COc1ccc2OCOc2c1 |THB:15:14:13:11.10,4:7:13:11.10|
CN1C2CCC1[C@@H](COc1ccc3OCOc3c1)[C@H](C2)c1ccc(F)cc1 |TLB:0:1:6.18.19:4.3,7:6:1:4.3,20:18:1:4.3|
Fc1ccc(cc1)[C@H]1CC2CCC(N2)[C@H]1COc1ccc2OCOc2c1 |THB:15:14:13:11.10,4:7:13:11.10|
CCC[C@H]1C2CC[C@H](C[C@H]1c1ccc(F)cc1)N2C |TLB:18:17:9.3.8:5.6,THB:2:3:17:5.6|
CN1[C@@H]2CCC1[C@@H]([C@@H](C2)c1ccccc1)c1ccccc1 |TLB:15:6:1:4.3,0:1:7.6.8:4.3|
CCC[C@H]1C2CC[C@H](C[C@H]1c1ccccc1)N2C |TLB:17:16:9.3.8:5.6,THB:2:3:16:5.6|
CCCC[C@H]1C2CC[C@H](C[C@H]1c1ccc(C)cc1)N2C |TLB:19:18:10.4.9:6.7,THB:3:4:18:6.7|
CN1[C@@H]2CCC1[C@@H]([C@@H](C2)c1ccc(F)cc1)c1ccccc1 |TLB:16:6:1:4.3,0:1:7.6.8:4.3|
CCC[C@H]1C2CC[C@H](C[C@H]1c1ccc(C)cc1)N2C |TLB:18:17:9.3.8:5.6,THB:2:3:17:5.6|
CN1C2CCC1C(C(C2)c1ccccc1)c1ccccc1 |TLB:15:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@@H]([C@@H](C2)c1ccc(C)cc1)c1ccccc1 |TLB:16:6:1:4.3,0:1:7.6.8:4.3|
CCC[C@@H]1C2CCC(CC1c1ccc(C)cc1)N2C |TLB:18:17:9.3.8:5.6,THB:10:9:17:5.6,2:3:17:5.6|
CCC[C@@H]1C2CCC(CC1c1ccc(F)cc1)N2C |TLB:18:17:9.3.8:5.6,THB:2:3:17:5.6,10:9:17:5.6|
CCCC[C@@H]1C2CCC(CC1c1ccc(C)cc1)N2C |TLB:19:18:10.4.9:6.7,THB:11:10:18:6.7,3:4:18:6.7|
CCC[C@@H]1C2CCC(C[C@@H]1c1ccccc1)N2C |TLB:17:16:9.3.8:5.6,THB:2:3:16:5.6|
CN1C2CCC1[C@H](C(C2)c1ccc(C)cc1)c1ccccc1 |TLB:9:7:1:4.3,16:6:1:4.3,0:1:7.6.8:4.3|
C(CC1CCN(C\C=C\c2ccccc2)CC1)OC(c1ccccc1)c1ccccc1
Fc1ccc(\C=C\CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
C(CC1CCN(C\C=C\c2cccs2)CC1)OC(c1ccccc1)c1ccccc1
Fc1ccc(cc1)C(OCCC1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(\C=C\CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
C[N+](C)(C)c1cccc(O)c1O
C[N+](C)(C)CC(O)c1ccc(O)c(O)c1
C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@H](C)N1C |r|
C[C@H]1CN(CCCn2c3ccc(cc3c3cc(ccc23)[N+]([O-])=O)[N+]([O-])=O)C[C@H](C)N1 |r|
C[C@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@H](C)N1 |r|
C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@H](C)N1CCCc1ccccc1 |r|
C[C@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@H](C)N1CCCc1ccccc1 |r|
C[C@H]1CN(CCCn2c3ccccc3c3cc(ccc23)[N+]([O-])=O)C[C@H](C)N1 |r|
C[C@H]1CN(CCCn2c3ccc(Br)cc3c3cc(Br)ccc23)C[C@H](C)N1 |r|
C[C@H]1CN(CCCn2c3ccccc3c3cc(N)ccc23)C[C@H](C)N1 |r|
COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(OC)cc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccccc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Fc1ccc(CN(CC2CC2)C2CCNCC2)c(c1)C(F)(F)F
CN(C)Cc1ccccc1Sc1ccc(C)cc1N
Cc1nc(cs1)C#Cc1ccc(c(F)c1)-c1cccnc1
Cc1cccc(NC(=O)c2ccc(-c3cccc(F)c3)c(c2)C#N)n1
Cc1nc(cs1)C#Cc1cc(F)cc(c1)-c1cccnc1
Cc1cccc(NC(=O)c2ccc(-c3ccccc3)c(c2)C#N)n1
Clc1ccc(cc1Cl)C12CC1CNC2
COc1ccc(cc1)[C@H](CN(C)C)[Si]1(O)CCCCC1
Cn1cc(C2=CCN(CCCN3c4cccc5cccc(c45)S3(=O)=O)CC2)c2ccccc12 |t:4|
Fc1ccc2[nH]cc(C3=CCN(CCCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c2c1 |t:8|
Fc1ccc2[nH]cc(CC3=CCN(CCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c2c1 |t:9|
CN(CCN1CCC(Cc2c[nH]c3ccc(F)cc23)CC1)S(=O)(=O)c1ccc2ccccc2c1
O=S1(=O)N(CCN2CCC(=CC2)c2c[nH]c3ccccc23)c2cccc3cccc1c23 |c:9|
Brc1ccc2[nH]cc(C3=CCN(CCCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c2c1 |t:8|
Fc1ccc2[nH]cc(CC3CCNCC3)c2c1
O=S1(=O)N(CCCN2CCC(CC2)c2c[nH]c3ccccc23)c2cccc3cccc1c23
Fc1cccc2[nH]cc(CC3CCN(CCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c12
Fc1ccc2[nH]cc(CC3CCN(CCn4c5cccc6CCCn(c56)c4=O)CC3)c2c1
Oc1ccc2[nH]cc(C3=CCN(CCCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c2c1 |t:8|
Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)c5cccc6cccc4c56)CC3)c2c1
CS(=O)(=O)N(CCN1CCC(Cc2c[nH]c3ccc(F)cc23)CC1)c1cccc2ccccc12
Fc1ccc2[nH]cc(CC3CCN(CCN4c5cccc6CCCN(c56)S4(=O)=O)CC3)c2c1
Clc1ccc2[nH]cc(C3=CCN(CCCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c2c1 |t:8|
O=S1(=O)N(CCCN2CCC(=CC2)c2c[nH]c3ccccc23)c2cccc3cccc1c23 |c:10|
CC(=O)n1cc(C2=CCN(CCCN3c4cccc5cccc(c45)S3(=O)=O)CC2)c2ccccc12 |t:6|
COc1ccc2[nH]cc(C3=CCN(CCCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c2c1 |t:9|
CN1CCC(Cc2c[nH]c3ccc(F)cc23)CC1
O=S1(=O)N(CCN2CCC(CC3=CCc4ccccc34)CC2)c2cccc3cccc1c23 |t:11|
Fc1ccc2[nH]cc(CCC3CCN(CCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c2c1
Fc1ccc2[nH]cc(CC3CCN(CCCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c2c1
O=S1(=O)N(CCCCN2CCC(=CC2)c2c[nH]c3ccccc23)c2cccc3cccc1c23 |c:11|
Fc1ccc2c(CC3CCN(CCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c[nH]c2c1
Fc1ccc2[nH]cc(CN3CCN(CCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c2c1
Fc1ccc2[nH]cc(CC3CCN(CCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c2c1
Fc1ccc2[nH]cc(CC3CCN(CCN4c5ccccc5-c5ccccc5S4(=O)=O)CC3)c2c1
Fc1ccc2[nH]c(CC3CCN(CCN4c5cccc6cccc(c56)S4(=O)=O)CC3)cc2c1
COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7,19:18:4.10.9:6.7|
Fc1ccc(cc1)C(OCCC1CCN(CCc2ccccc2)CC1)c1ccc(F)cc1
C(Cc1ccccc1)N1CCC(COC(c2ccccc2)c2ccccc2)CC1
C(CN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
COc1ccc(cc1)C(OCCC1CCN(CCCc2ccccc2)CC1)c1ccc(OC)cc1
C(CC1CCN(CCc2ccccc2)CC1)OC(c1ccccc1)c1ccccc1
C(CC1CCN(Cc2ccccc2)CC1)OC(c1ccccc1)c1ccccc1
Brc1ccc(cc1)C(OCCC1CCN(CCc2ccccc2)CC1)c1ccc(Br)cc1
Fc1ccc(cc1)C(OCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCC1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
C(CN1CCC(COC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Fc1ccc(cc1)C(OCC1CCN(CCc2ccccc2)CC1)c1ccc(F)cc1
Clc1ccc(cc1)C(OCCC1CCN(CCc2ccccc2)CC1)c1ccc(Cl)cc1
Fc1ccc(cc1)C(OCC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
Brc1ccc(cc1)C(OCCC1CCN(CCCc2ccccc2)CC1)c1ccc(Br)cc1
Clc1ccc(cc1)C(OCCC1CCN(CCCc2ccccc2)CC1)c1ccc(Cl)cc1
Cc1ccc(cc1)C(OCCC1CCN(CCc2ccccc2)CC1)c1ccc(C)cc1
Fc1ccc(cc1)C(OCC1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
C(OC(c1ccccc1)c1ccccc1)C1CCN(Cc2ccccc2)CC1
COc1cc2CCN(C)Cc2cc1OC
CCC(=O)C1C2CCC(CC1c1ccc(cc1)C1CCCCC1)N2 |THB:2:4:23:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(cc1)C1CCCCC1)N2C |TLB:24:23:4.10.9:6.7,THB:2:4:23:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2 |THB:2:4:18:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(C=C)cc1)N2 |THB:2:4:19:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(C=C)cc1)N2C |TLB:20:19:4.10.9:6.7,THB:2:4:19:6.7|
CCC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2 |THB:11:10:21:6.7,2:4:21:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(cc1)C(C)=C)N2C |TLB:21:20:4.10.9:6.7,THB:2:4:20:6.7|
CCC(CC)c1ccc(cc1)C1CC2CCC(C1C(=O)CC)N2C |TLB:23:22:17.11.12:15.14,THB:18:17:22:15.14|
CCC(CC)c1ccc(cc1)C1CC2CCC(N2)C1C(=O)CC |THB:19:18:17:15.14|
CCC(=O)C1C2CCC(CC1c1ccc(cc1)C(C)C)N2 |THB:2:4:20:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(cc1)C(C)=C)N2 |THB:2:4:20:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(cc1)C(C)C)N2C |THB:21:20:4.10.9:6.7,2:4:20:6.7,11:10:20:6.7|
[H][C@]12CC[NH+](CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3N(C)CCN2c13
[H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3NCCN2c13 |r|
[H][C@]12CCN(CCCC(=O)c3ccncc3)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r|
[H][C@]12CCN(CCCOc3ccc(F)cc3)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r|
[H][C@]12CCN(CCNC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r|
[H][C@]12CCN(CCCc3n[nH]c4cc(F)ccc34)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r|
[H][C@]12CCN(CCc3cc4CC(=O)Nc4cc3Cl)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r|
[H][C@]12CCN(CCc3c(C)nc4cc(C)ccn4c3=O)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r|
[H][C@]12CCN(CCCN3C(=O)[C@]4([H])CCCC[C@]4([H])C3=O)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r|
[H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@]1([H])c1cccc3N(C)CCN2c13 |r|
[H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3CCCN2c13 |r|
Cl.CC(N)Cc1cc(Cl)c(Cl)s1
CC(N)Cc1ccc(Cl)cc1
Cl.NC1CC(C1)(c1ccccc1)c1ccccc1
Cl.CNC1CC(C1)(c1ccccc1)c1ccccc1
Cl.CN(C)C1CC(C1)(c1ccccc1)c1ccccc1
CCN(CC)C(=O)[C@]1(C[C@H]1C(N)c1ccccc1)c1ccccc1
CCN(CC)C(=O)[C@]1(C[C@H]1C(N)C=C)c1ccccc1
CCN(CC)C(=O)[C@]1(C[C@H]1C(N)CC(C)C)c1ccccc1
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1
CCCC(N)[C@@H]1C[C@@]1(C(=O)N(CC)CC)c1ccccc1
OC1(N2CCCCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:7|
OC1(N2CCCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:6|
O=C1CN(CN2CCN(CC2)c2cccc3ccccc23)C(=O)[C@@H]2CCCN12
CN1C2CCC1[C@@H](CN(CCS)CCNCCS)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3|
CN1C2CCC1[C@@H](CN1CCS[Re]3(=O)SCCN3CC1)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3|
C(CC1CCN(Cc2cccs2)CC1)OC(c1ccccc1)c1ccccc1
C(CC1CCN(Cc2cccnc2)CC1)OC(c1ccccc1)c1ccccc1
Fc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccc(F)cc3)CC2)cc1
Clc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1Cl
Nc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Brc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
C(CC1CCN(Cc2ccccc2)CC1)OC(c1cccs1)c1ccccc1
Fc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Cc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
C(CC1CCN(Cc2cccnc2)CC1)OC(c1cccs1)c1ccccc1
Fc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1
COc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Fc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1Cl
Clc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
C(CC1CCN(Cc2cc3ccccc3s2)CC1)OC(c1ccccc1)c1ccccc1
Fc1ccc(CN2CCC(CCOC(c3cccs3)c3ccccc3)CC2)cc1
[O-][N+](=O)c1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
CN(C)CCC(Oc1ccc(NC(=O)Nc2ccc(C)c(Cl)c2)cc1)c1ccccc1
CN(C)CCC(Oc1ccc(NC(=O)Nc2ccc(C)c(I)c2)cc1)c1ccccc1
COc1ccc(NC(=O)Nc2ccc(OC(CCN(C)C)c3ccccc3)cc2)cc1Cl
COc1ccc(NC(=O)Nc2ccc(OC(CCN(C)C)c3ccccc3)cc2)cc1C(F)(F)F
COc1cc(NC(=O)Nc2ccc(OC(CCN(C)C)c3ccccc3)cc2)ccc1Cl
CN(C)CCC(Oc1cccc(NC(=O)Nc2ccc3n(C)ccc3c2)c1)c1ccccc1
CN(C)CCC(Oc1cccc(NC(=O)Nc2ccc3ccccc3c2)c1)c1ccccc1
CN(C)CCC(Oc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ccccc1
CN(C)CCC(Oc1ccc(NC(=O)N(C)c2ccc(Cl)c(Cl)c2)cc1)c1ccccc1
CN(C)CCC(Oc1ccc(cc1)N1CCN(C1=O)c1ccc(Cl)c(Cl)c1)c1ccccc1
CN(C)CCC(Oc1ccc(NC(=O)c2ccc(C)c(Cl)c2)cc1)c1ccccc1
COc1ccc(cc1Cl)C(=O)Nc1ccc(OC(CCN(C)C)c2ccccc2)cc1
COc1ccc(cc1C(F)(F)F)C(=O)Nc1ccc(OC(CCN(C)C)c2ccccc2)cc1
CN(C)CCC(Oc1ccc(NC(=O)Nc2ccc3n(C)ccc3c2)cc1)c1ccccc1
CN(C)CCC(Oc1ccc(NC(=O)Nc2ccc3ccn(C)c3c2)cc1)c1ccccc1
CN(C)CCC(Oc1ccc(NC(=O)Nc2ccc3ccccc3c2)cc1)c1ccccc1
Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc12
O=C(Nc1cccnc1)Nc1ccc2ccccc2c1
CCn1ccc2cc(NC(=O)Nc3ccc(OC(CCN(C)C)c4ccccc4)cc3)ccc12
CN(C)CCC(Oc1ccc(NC(=O)Nc2ccc3nccn3c2)cc1)c1ccccc1
CN(C)CCC(Oc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)c1ccccc1
C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1cccs1
C(CN1CCN(Cc2cccc3ccccc23)CC1)OC(c1ccccc1)c1ccccc1
Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccco2)CC1)c1ccc(F)cc1
C(CN1CCN(C\C=C\c2ccco2)CC1)OC(c1ccccc1)c1ccccc1
C(CN1CCN(Cc2cc3ccccc3s2)CC1)OC(c1ccccc1)c1ccccc1
C(CN1CCN(Cc2cc3ccccc3[nH]2)CC1)OC(c1ccccc1)c1ccccc1
C(CN1CCN(Cc2ccc3ccccc3c2)CC1)OC(c1ccccc1)c1ccccc1
Fc1ccc(cc1)C(OCCN1CCN(CCCc2cccs2)CC1)c1ccc(F)cc1
C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1nc2ccccc2[nH]1
C(CN1CCN(CCc2cccc3ccccc23)CC1)OC(c1ccccc1)c1ccccc1
Fc1ccc(cc1)C(OCCN1CCN(CCc2cccc3ccccc23)CC1)c1ccc(F)cc1
C(CN1CCN(C\C=C\c2cccs2)CC1)OC(c1ccccc1)c1ccccc1
C(CN1CCN(Cc2cnc3ccccc3c2)CC1)OC(c1ccccc1)c1ccccc1
C(CN1CCN(Cc2nc3ccccc3[nH]2)CC1)OC(c1ccccc1)c1ccccc1
C(CN1CCN(Cc2ccc3ncccc3c2)CC1)OC(c1ccccc1)c1ccccc1
Fc1ccc(cc1)C(OCCN1CCN(Cc2ccc3ccccc3n2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(Cc2nc3ccccc3[nH]2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(Cc2cc3ccccc3[nH]2)CC1)c1ccc(F)cc1
C(CN1CCN(C\C=C\c2cccnc2)CC1)OC(c1ccccc1)c1ccccc1
Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2cccnc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(Cc2ccc3ncccc3c2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(Cc2cc3ccccc3s2)CC1)c1ccc(F)cc1
C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccco1
Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccco2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(Cc2cccc3ccccc23)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(Cc2cnc3ccccc3c2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2cccs2)CC1)c1ccc(F)cc1
C(CN1CCN(Cc2ccc3ccccc3n2)CC1)OC(c1ccccc1)c1ccccc1
Fc1ccc(cc1)C(OCCN1CCN(Cc2ccc3ccccc3c2)CC1)c1ccc(F)cc1
C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1cccnc1
C(CN1CCN(Cc2cc3ccccc3o2)CC1)OC(c1ccccc1)c1ccccc1
Fc1ccc(cc1)C(OCCN1CCN(Cc2cc3ccccc3o2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(CCCc2nc3ccccc3[nH]2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(CCCc2cccnc2)CC1)c1ccc(F)cc1
COc1cccc2[C@H](CN(C)CCc3ccc4c(C=CS4(=O)=O)c3)CCCc12 |c:18|
COc1cccc2[C@H](CN(C)CCc3ccc4N(CCc4c3)S(C)(=O)=O)CCCc12
COc1cccc2[C@H](CN(C)CCc3ccc4ccncc4c3)CCCc12
COc1cccc2[C@H](CN(C)CCc3ccc4CS(=O)(=O)Cc4c3)CCCc12
COc1cccc2[C@H](CN(C)CCc3ccc4OCOc4c3)CCCc12
CN(CCc1ccc2OCOc2c1)C[C@@H]1CC[C@H]2CCOc3cccc1c23
CCOc1cccc2[C@H](CN(C)CCc3ccc4OCOc4c3)CCCc12
COc1cccc2[C@H](CN(C)CCc3ccc4nc(C)oc4c3)CCCc12
COc1cccc2[C@H](CN(C)CCc3ccc4c(CCS4(=O)=O)c3)CCCc12
CN(CCc1ccc2OCOc2c1)CC1CCCc2c(O)cccc12
COc1cccc2[C@H](CN(C)CCc3ccc4COCc4c3)CCCc12
COc1ccc2[C@H](CN(C)CCc3ccc4OCOc4c3)CCCc2c1OC
COc1cccc2[C@H](CN(C)CCc3ccc4oc(=O)[nH]c4c3)CCCc12
COc1cccc2[C@H](CN(C)CCc3ccc4CN(Cc4c3)S(=O)(=O)C(F)(F)F)CCCc12
COc1cccc2[C@H](CN(C)CCc3ccc4nc(C)sc4c3)CCCc12
COc1cccc2[C@H](CN(C)CCc3ccc4NC(=O)Cc4c3)CCCc12
COc1cccc2[C@H](CN(C)CCc3ccc4CCOc4c3)CCCc12
COc1cccc2[C@H](CN(C)CCc3ccc4nccnc4c3)CCCc12
CCN(CCc1ccc2OCOc2c1)C[C@@H]1CCCc2c(OC)cccc12
COc1cccc2[C@H](CN(C)CCc3ccc4nc(N)sc4c3)CCCc12
COc1cccc2[C@H](CN(C)CCc3ccc4ocnc4c3)CCCc12
COc1cccc2[C@H](CN(C)CCc3ccc4CCNc4c3)CCCc12
COc1cccc2[C@H](CN(C)CCc3ccc4SCCc4c3)CCCc12
COc1cccc2[C@H](CN(C)CCc3ccc4CNCc4c3)CCCc12
CN(CCc1ccc2OCOc2c1)CC1CCCc2c3OCOc3ccc12
CN(CCc1ccc2OCOc2c1)C[C@@H]1CC[C@@H]2CCOc3cccc1c23
COc1cccc2[C@H](CN(C)CCc3ccc4[nH]c(=O)oc4c3)CCCc12
COc1cccc2[C@H](CN(C)CCc3ccc4CCN(c4c3)S(=O)(=O)C(F)(F)F)CCCc12
CN(CCc1ccc2OCOc2c1)CC1CCCc2ccccc12
COc1cccc2[C@@H](CN(C)CCc3ccc4OCOc4c3)CCCc12
COc1cccc2[C@H](CN(C)CCc3ccc4ncccc4c3)CCCc12
COc1cccc2[C@H](CN(C)CCc3ccc4ccoc4c3)CCCc12
CN(CCc1ccc2OCOc2c1)C[C@@H]1CCCc2c3OCCc3ccc12
COc1cccc2[C@H](CN(C)CCc3ccc4CCCc4c3)CCCc12
COc1cccc2[C@H](CN(C)CCc3ccc4occc4c3)CCCc12
COc1cccc2[C@H](CN(C)CCc3ccc4CN(Cc4c3)S(C)(=O)=O)CCCc12
COc1cccc2[C@H](CN(C)CCc3ccc4ncsc4c3)CCCc12
COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
COc1cccc2[C@H](CNCCc3ccc4OCOc4c3)CCCc12
COc1cccc2[C@H](CN(C)CCc3ccc4ncoc4c3)CCCc12
COc1cccc2[C@H](CN(C)CCc3ccc4OCCc4c3)CCCc12
COc1cccc2[C@H](CN(C)CCc3ccc4N(CCc4c3)S(=O)(=O)C(F)(F)F)CCCc12
CN(CCc1ccc2OCOc2c1)C[C@@H]1CCCc2c1ccc1ccoc21
COc1cccc2[C@H](CN(C)CCc3ccc4cccnc4c3)CCCc12
COc1cccc2[C@H](CN(C)CCc3ccc4nc(Cl)sc4c3)CCCc12
COc1cccc2[C@H](CN(C)CCc3ccc4sccc4c3)CCCc12
COc1cccc2[C@H](CN(C)CCc3ccc4NCCc4c3)CCCc12
COc1ccc2C(CN(C)CCc3ccc4OCOc4c3)CCCc2c1
COc1ccc2CCCC(CN(C)CCc3ccc4OCOc4c3)c2c1
CN(CCc1ccc2OCOc2c1)CC1CCCc2c(NS(C)(=O)=O)cccc12
CSc1cccc2C(CN(C)CCc3ccc4OCOc4c3)CCCc12
COc1cccc2[C@H](CN(C)CCc3ccc4[nH]c(=O)[nH]c4c3)CCCc12
COc1cccc2[C@H](CN(C)CCc3ccc4CCN(c4c3)S(C)(=O)=O)CCCc12
COc1cccc2C(CN(C)CCc3ccc4OCOc4c3)CCCc12
COc1cccc2CCCC(CN(C)CCc3ccc4OCOc4c3)c12
COc1cccc2[C@H](CN(C)CCc3ccc4nc[nH]c4c3)CCCc12
COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCCCc1ccccc1 |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2Cc1ccccc1 |TLB:11:10:27:6.7,28:27:4.10.9:6.7,THB:2:4:27:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:28:27:4.10.9:6.7,11:10:27:6.7,THB:2:4:27:6.7|
COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2CCC[N+]12CCS[Re]11(=O)SCCN1C(=O)C2 |TLB:11:10:19:6.7,20:19:4.10.9:6.7,THB:2:4:19:6.7|
COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCc1ccccc1 |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCCc1ccccc1 |TLB:28:27:4.10.9:6.7,11:10:27:6.7,THB:2:4:27:6.7|
COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2Cc1ccccc1 |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCCCCc1ccccc1 |TLB:28:27:4.10.9:6.7,11:10:27:6.7,THB:2:4:27:6.7|
CC1=C(C)c2nc3ccccc3c(N)c2C1 |c:1|
c1ccc2c(c1)c(c3c(n2)CCCC3)N
Nc1c2CCc3c(Cl)cccc3-c2nc2ccccc12
Nc1c2CCCNc3ccccc3-c2nc2ccccc12
CC1Cc2c(nc3ccccc3c2N)C1(C)O
Nc1c2ccccc2nc2c1cnc1cc(Cl)ccc21
Nc1c2CCc3ccccc3-c2nc2ccccc12
Nc1c-2c(CCCc3ccccc-23)nc2ccccc12
Nc1c2CCCCCCc2nc2ccccc12
CC1(C)C2CCC1(C)c1nc3ccccc3c(N)c21
COc1ccc-2c(CCCc3c(N)c4ccccc4nc-23)c1
Nc1c2C3CCC(C3)c2nc2ccccc12
CCCCC1=C(C)Cc2c1nc1ccccc1c2N |c:4|
Nc1c2CCCc2nc2ccccc12
Nc1c2CCCCCc2nc2ccccc12
Nc1c2CCNc3ccccc3-c2nc2ccccc12
COc1ccc-2c(CCc3c(N)c4ccccc4nc-23)c1
CCCCC1(O)C(C)Cc2c1nc1ccccc1c2N
Nc1c2CCCc3ccccc3-c2nc2ccccc12
Nc1c2Cc3ccccc3-c2nc2ccccc12
Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2cc3ccccc3s2)CC1
O[C@H]1CCN(Cc2cccc(I)c2)C[C@@H]1N1C2CCC1CC(C2)c1ccccc1 |TLB:14:15:21.22.20:17.18,23:21:15:17.18|
OC(CN1C2CCC1CC(C2)c1ccccc1)Cc1ccc(Br)cc1 |TLB:11:9:3:5.6,THB:2:3:9.8.10:5.6|
O[C@H]1CCCC[C@@H]1N1C2CCC1CC(C2)c1ccccc1 |TLB:6:7:13.14.12:9.10,15:13:7:9.10|
O[C@H]1CCN(Cc2ccc(F)cc2)C[C@@H]1N1C2CCC1CC(C2)c1ccccc1 |TLB:14:15:21.22.20:17.18,23:21:15:17.18|
OC(CN1C2CCC1CC(C2)c1ccccc1)c1cccc(Br)c1 |TLB:11:9:3:5.6|
O[C@H]1Cc2ccccc2C[C@@H]1N1C2CCC1CC(C2)c1ccccc1 |TLB:10:11:17.18.16:13.14,19:17:11:13.14|
OC(CN1C2CCC1CC(C2)c1ccccc1)c1ccc(Br)cc1 |TLB:11:9:3:5.6|
Fc1ccc(cc1)C(=O)CCCN1C2CCC1CC(C2)c1ccccc1 |TLB:11:12:18.19.17:14.15|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CC=C)c1ccc(F)cc1 |TLB:8:9:16:12.13|
CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:9:7:1:3.4|
[H][C@]12CC[C@]([H])(C[C@H](C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C(=O)\C=C\c1ccccc1 |r,TLB:9:7:25:2.3|
CCCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:12:10:4:6.7|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCCc1ccccc1)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CC1CC1)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Fc1ccc(cc1)C(OCCC1CCN(CCCc2ccccc2)CC1)c1cccs1
C(CN1CCC(CCOC(c2cccs2)c2ccccc2)CC1)Cc1ccccc1
C(CN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1cccnc1
Fc1ccc(CCCN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
CC(N)Cc1ccc(I)cc1
CSc1ccc(CC(C)N)cc1
CC(N)Cc1cc2OCOc2c(C)c1
CC(N)Cc1ccc2OCOc2c1C
CC(N)Cc1cc2OCOc2cc1C
CC(N)Cc1ccc2CCCc2c1
CN(C)CCC[C@@]1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F
CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCCN(C)CCC[C@]3(OCc4cc(ccc34)C#N)c3ccc(F)cc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wD:40.40,(8.57,-4.18,;9.9,-4.95,;9.9,-6.49,;8.57,-7.26,;7.25,-6.49,;11.24,-7.26,;11.23,-8.8,;12.57,-9.57,;13.9,-8.79,;15.24,-9.56,;15.24,-11.09,;13.9,-11.87,;13.91,-13.4,;15.24,-14.17,;16.58,-13.39,;16.57,-11.85,;17.9,-11.08,;19.24,-11.84,;17.12,-9.74,;18.67,-9.73,;15.24,-15.71,;14.47,-17.04,;13.7,-15.7,;16.59,-16.48,;17.92,-15.7,;19.25,-16.47,;20.58,-15.69,;21.92,-16.46,;23.25,-15.68,;24.59,-16.45,;24.59,-17.99,;25.92,-15.67,;27.26,-16.43,;28.59,-15.66,;29.92,-16.42,;31.25,-15.65,;31.25,-14.11,;32.59,-16.41,;33.92,-15.64,;35.26,-16.4,;35.26,-17.94,;34.03,-18.86,;34.51,-20.32,;36.05,-20.31,;37.07,-21.45,;38.57,-21.12,;39.04,-19.65,;38.01,-18.53,;36.52,-18.85,;39.61,-22.25,;40.64,-23.39,;36.35,-16.84,;37.85,-17.23,;38.94,-16.13,;38.53,-14.64,;39.61,-13.54,;37.02,-14.25,;35.94,-15.35,;16.57,-8.79,;17.91,-9.55,;19.25,-8.77,;19.23,-7.21,;17.89,-6.46,;16.56,-7.24,;15.23,-6.48,;13.9,-7.25,;12.56,-6.49,;20.56,-6.43,;20.55,-4.89,;21.87,-4.11,;21.9,-7.19,;23.23,-6.41,)|
CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCCCCN(C)CCC[C@]3(OCc4cc(ccc34)C#N)c3ccc(F)cc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wD:42.42,(4.73,-24.46,;6.07,-25.23,;6.07,-26.77,;4.73,-27.54,;3.41,-26.77,;7.4,-27.54,;7.4,-29.08,;8.73,-29.86,;10.07,-29.08,;11.4,-29.84,;11.4,-31.38,;10.07,-32.15,;10.07,-33.69,;11.41,-34.46,;12.75,-33.67,;12.74,-32.14,;14.06,-31.36,;15.4,-32.12,;13.28,-30.02,;14.83,-30.02,;11.41,-35.99,;10.63,-37.32,;9.87,-35.99,;12.75,-36.76,;14.08,-35.99,;15.42,-36.75,;16.75,-35.98,;18.09,-36.74,;19.42,-35.96,;20.75,-36.73,;20.76,-38.27,;22.08,-35.95,;23.42,-36.72,;24.75,-35.94,;26.09,-36.71,;27.42,-35.93,;28.76,-36.7,;30.09,-35.92,;30.08,-34.38,;31.42,-36.69,;32.75,-35.91,;34.09,-36.68,;34.1,-38.22,;32.86,-39.13,;33.34,-40.6,;34.88,-40.58,;35.91,-41.72,;37.41,-41.4,;37.87,-39.93,;36.84,-38.8,;35.35,-39.12,;38.44,-42.53,;39.48,-43.67,;35.19,-37.11,;36.69,-37.51,;37.78,-36.41,;37.36,-34.91,;38.44,-33.81,;35.85,-34.52,;34.77,-35.63,;12.73,-29.07,;14.08,-29.83,;15.41,-29.05,;15.4,-27.5,;14.06,-26.74,;12.73,-27.52,;11.39,-26.76,;10.07,-27.53,;8.73,-26.77,;16.73,-26.72,;16.71,-25.18,;18.04,-24.39,;18.07,-27.47,;19.39,-26.69,)|
CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCCc3ccc4c(CO[C@@]4(CCCN(C)C)c4ccc(F)cc4)c3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wD:42.50,(.36,-18.23,;1.7,-19,;1.7,-20.54,;.36,-21.31,;-.97,-20.54,;3.03,-21.31,;3.03,-22.86,;4.36,-23.63,;5.7,-22.85,;7.03,-23.61,;7.03,-25.15,;5.7,-25.92,;5.7,-27.46,;7.04,-28.23,;8.37,-27.44,;8.36,-25.91,;9.69,-25.13,;11.03,-25.89,;8.91,-23.79,;10.46,-23.79,;7.04,-29.76,;6.26,-31.1,;5.5,-29.76,;8.38,-30.53,;9.71,-29.76,;11.05,-30.52,;12.38,-29.75,;13.72,-30.51,;15.05,-29.73,;16.38,-30.5,;16.39,-32.04,;17.71,-29.72,;19.05,-30.49,;20.38,-29.71,;21.72,-30.48,;23.04,-29.71,;23.07,-28.17,;24.43,-27.43,;25.75,-28.23,;25.71,-29.76,;27.15,-30.27,;28.08,-29.05,;27.2,-27.8,;28.32,-26.73,;29.8,-27.17,;30.92,-26.11,;32.39,-26.55,;33.51,-25.49,;32.76,-28.04,;26.84,-26.3,;27.97,-25.23,;27.61,-23.73,;26.12,-23.29,;25.76,-21.8,;25,-24.37,;25.37,-25.86,;24.35,-30.5,;8.36,-22.84,;9.71,-23.6,;11.04,-22.82,;11.03,-21.27,;9.69,-20.51,;8.36,-21.29,;7.02,-20.53,;5.69,-21.3,;4.36,-20.54,;12.35,-20.49,;12.34,-18.95,;13.67,-18.16,;13.7,-21.24,;15.02,-20.46,)|
CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCc3ccc4c(CO[C@@]4(CCCN(C)C)c4ccc(F)cc4)c3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wD:40.48,(4.8,-39.83,;6.14,-40.6,;6.14,-42.14,;4.8,-42.91,;3.48,-42.14,;7.47,-42.91,;7.47,-44.45,;8.8,-45.22,;10.14,-44.44,;11.47,-45.21,;11.47,-46.75,;10.14,-47.52,;10.14,-49.06,;11.48,-49.82,;12.82,-49.04,;12.81,-47.51,;14.13,-46.73,;15.47,-47.49,;13.35,-45.39,;14.9,-45.38,;11.48,-51.36,;10.7,-52.69,;9.94,-51.35,;12.82,-52.13,;14.15,-51.35,;15.49,-52.12,;16.82,-51.34,;18.16,-52.11,;19.49,-51.33,;20.82,-52.1,;20.83,-53.64,;22.15,-51.32,;23.49,-52.09,;24.82,-51.31,;24.76,-49.77,;26.07,-48.95,;27.43,-49.68,;27.48,-51.21,;28.96,-51.63,;29.81,-50.36,;28.86,-49.16,;29.92,-48.03,;31.42,-48.38,;32.47,-47.26,;33.97,-47.61,;35.03,-46.49,;34.42,-49.08,;28.42,-47.68,;29.48,-46.56,;29.03,-45.08,;27.52,-44.72,;27.08,-43.25,;26.47,-45.86,;26.92,-47.33,;26.17,-52.02,;12.8,-44.44,;14.15,-45.2,;15.48,-44.42,;15.47,-42.87,;14.13,-42.11,;12.8,-42.89,;11.46,-42.13,;10.14,-42.9,;8.8,-42.14,;16.8,-42.08,;16.78,-40.54,;18.11,-39.76,;18.14,-42.84,;19.46,-42.06,)|
CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCN3C4CCC3[C@H]([C@H](C4)c3ccc(Cl)c(Cl)c3)C(=O)OC)c3ccc(cc3oc2c1)=[N+](CC)CC |wU:39.53,40.44,TLB:33:34:37.36:39.40.41,50:39:37.36:34,(9.98,-40.52,;8.63,-39.74,;8.63,-38.19,;9.98,-37.41,;11.32,-38.19,;7.29,-37.41,;7.28,-35.86,;5.93,-35.08,;4.6,-35.87,;3.26,-35.11,;3.25,-33.56,;4.58,-32.77,;4.57,-31.23,;3.23,-30.47,;1.89,-31.25,;1.9,-32.8,;.57,-33.58,;-.76,-34.36,;1.34,-34.91,;-.22,-32.25,;3.22,-28.93,;1.67,-28.94,;4.76,-28.91,;3.21,-27.39,;4.55,-26.62,;5.88,-27.39,;7.21,-26.62,;7.22,-25.08,;8.55,-24.32,;9.89,-25.09,;9.88,-26.63,;11.22,-24.33,;12.55,-25.1,;12.55,-26.64,;13.88,-27.42,;13.91,-29.95,;12.92,-30.66,;13.22,-29.22,;14.52,-28.51,;15.93,-29.14,;16.3,-30.6,;15.29,-29.88,;17.67,-31.02,;18.71,-30.04,;20.08,-30.45,;20.41,-31.86,;21.78,-32.27,;19.36,-32.84,;19.68,-34.23,;17.99,-32.42,;17.26,-28.36,;17.25,-26.82,;18.6,-29.13,;19.93,-28.35,;1.92,-35.88,;.58,-35.11,;-.76,-35.89,;-.75,-37.44,;.59,-38.21,;1.92,-37.43,;3.27,-38.2,;4.6,-37.42,;5.94,-38.19,;-2.1,-38.21,;-3.44,-37.44,;-4.78,-38.21,;-2.09,-39.76,;-3.44,-40.53,)|
CC(NC1CC1)C(=O)c1ccc(Cl)c(Cl)c1
CC(NC1CC1)C(=O)c1cccc(Cl)c1
CCNC(C)C(=O)c1ccccc1
CC(NC1CC1)C(=O)c1ccc(C)c(Cl)c1
CC(N)Cc1cccc(Cl)c1
CNC(C)C(=O)c1cccc(Cl)c1
CCC(Cc1ccccc1)NC
CCCNC(C)C(=O)c1cccc(Cl)c1
CCNC(C)C(=O)c1cccc(Cl)c1
CCC(NC)C(=O)c1ccccc1
CCCC(N)Cc1ccccc1
C[C@H](NC1CC1)C(=O)c1cccc(Cl)c1
C[C@@H](NC1CC1)C(=O)c1cccc(Cl)c1
CC(NC1CC1)C(=O)c1cccc(Br)c1
CC(NC1CC1)C(=O)c1cccc(C)c1
COc1cccc(c1)C(=O)C(C)NC1CC1
CC(NC1CC1)C(=O)c1ccc(Cl)cc1
CC(NC1CC1)C(=O)c1ccc(C)cc1
Fc1ccc(CN2CCC(CC(=O)NC(c3ccccc3)c3ccccc3)CC2)cc1
Fc1ccc(CN2CCC(CCNC(c3ccccc3)c3ccccc3)CC2)cc1
Fc1ccc(cc1)C(NCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
CCN(CC)C(=O)[C@]1(C[C@H]1C(N)C(=O)OC)c1ccccc1
CCN(CC)C(=O)[C@]1(C[C@H]1C(N)C(N)=O)c1ccccc1
CCN(CC)C(=O)[C@]1(C[C@H]1C(N)C#N)c1ccccc1
CCN(CC)C(=O)[C@]1(C[C@H]1C(N)C(O)=O)c1ccccc1
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cc(F)cc(F)c1 |r|
CC1NC(C)(C)COC1(O)c1ccc(Cl)c(Cl)c1
CC1NC(C)(C)COC1(O)c1cc(Cl)cc(Cl)c1
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Br)c1 |r|
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(F)c1 |r|
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(C)c1 |r|
CCC[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 |r|
C[C@@H]1N(C)C(C)(C)CO[C@@]1(O)c1ccc(Cl)cc1 |r|
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccccc1 |r|
C[C@@H]1N(C)C(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 |r|
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccc(F)c(F)c1 |r|
COc1cccc(c1)[C@]1(O)OCC(C)(C)N[C@H]1C |r|
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccc(F)cc1 |r|
C[C@H]1[C@@](OCC(N1)(C)C)(c2cccc(c2)Cl)O
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(c1)[N+]([O-])=O |r|
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccc(C)cc1 |r|
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccc(Cl)cc1 |r|
CN(C)Cc1ccccc1Sc1ccc(I)cc1CO
CN(C)Cc1ccccc1Sc1ccc(Br)cc1CO
C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(OC(=O)C(C)(C)C)ccc32)CC1)=C/c1ccccc1 |c:10|
[H][C@@]12CNc3cc(OC)c(OC)cc3C1=NO[C@H]2CN1CCN(C\C(C)=C\c2ccccc2)CC1 |c:16|
[H][C@@]12CNc3ccccc3C1=NO[C@H]2CN1CCN(Cc2ccc3ccccc3c2)CC1 |c:12|
CCOCCOCCOc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1 |t:13|
[H][C@@]12CNc3cc(OC)c(OC)cc3C1=NO[C@H]2CN1CCN(C\C=C\c2ccccc2)CC1 |c:16|
[H][C@@]12C=Cc3cc(OC)ccc3C1=NO[C@H]2CN1CCN(C\C=C\c2ccccc2)CC1 |c:2,14|
[H][C@@]12CNc3ccccc3C1=NO[C@H]2CN1CCN(C\C=C\c2ccccc2)CC1 |c:12|
[H][C@@]12CNc3cc(OC)c(OC)cc3C1=NO[C@H]2CN1CCN(Cc2ccc3ncccc3c2)CC1 |c:16|
[H][C@@]12C=Cc3ccccc3C1=NO[C@H]2CN1CCN(C\C=C\c2ccccc2)CC1 |c:2,12|
[H][C@@]12CN(C(=O)OCC)c3ccccc3C1=NO[C@H]2CN1CCN(C\C=C\c2ccccc2)CC1 |c:17|
[H][C@@]12CNc3cc(OC)c(OC)cc3C1=NO[C@H]2CN1CCN(Cc2ccc(Cl)cc2)CC1 |c:16|
[H][C@@]12CN(C(=O)NCC)c3ccccc3C1=NO[C@H]2CN1CCN(C\C=C\c2ccccc2)CC1 |c:17|
[H][C@@]12C=Cc3cc(OC)ccc3C1=NO[C@H]2CN1CCN(Cc2ccc3ccccc3c2)CC1 |c:2,14|
[H][C@@]12COc3ccccc3C1=NO[C@H]2CN1CCN(C\C=C\c2ccccc2)CC1 |c:12|
[H][C@@]12CN(C)c3cc(OC)c(OC)cc3C1=NO[C@H]2CN1CCN(CCC\C(C)=C\c2ccccc2)CC1 |c:17|
C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(OC(=O)c4ccncc4)ccc32)CC1)=C/c1ccccc1 |c:10|
[H][C@@]12CNc3cc(OC)c(OC)cc3C1=NO[C@H]2CN1CCN(Cc2ccc3ccccc3c2)CC1 |c:16|
C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(OC4CCCC4)ccc32)CC1)=C/c1ccccc1 |c:10|
[H][C@@]12CNc3cc(OC)c(OC)cc3C1=NO[C@H]2CN1CCN(C\C=C(/C)c2ccccc2)CC1 |c:16|
[H][C@@]12CN(C)c3ccccc3C1=NO[C@H]2CN1CCN(C\C=C\c2ccccc2)CC1 |c:13|
[H][C@@]12CNc3cc(OC)c(OC)cc3C1=NO[C@H]2CN1CCN(CCOc2ccc(F)cc2)CC1 |c:16|
COCC(=O)Oc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1 |t:10|
COc1cc2OC[C@H]3[C@H](CN4CCN(Cc5ccc6ccccc6c5)CC4)ON=C3c2cc1OC |c:31|
CN(C)CCOc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1 |t:10|
C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(O)ccc32)CC1)=C/c1ccccc1 |c:10|
C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(OC(=O)C4CC4)ccc32)CC1)=C/c1ccccc1 |c:10|
CC(=O)Oc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1 |t:8|
C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(OC(=O)C=C)ccc32)CC1)=C/c1ccccc1 |c:10|
CC(=O)N1C[C@H]2[C@H](CN3CCN(CCC\C=C\c4ccccc4)CC3)ON=C2c2ccccc12 |c:28|
COCCOc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1 |t:9|
CN1CC[C@@H]([C@H](CCCN2CCS[Re]3(=O)SCCN3CC2)C1)c1ccc(Cl)cc1
COc1ccccc1CCCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
COc1ccc(\C=C\CN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Oc1ccccc1\C=C\CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
Oc1cccc(\C=C\CN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1
Oc1ccc(CCCN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
COc1cccc(\C=C\CN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1
Oc1ccccc1CCCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
COc1cccc(CCCN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1
Oc1cccc(\C=C\CN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c1
COc1cccc(\C=C\CN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c1
Oc1ccccc1\C=C\CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
OC(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
COc1ccc(CCCN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Oc1cccc(CCCN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1
Oc1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
O[C@H](CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
Oc1cccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c1
COc1cccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c1
COc1ccccc1CCCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
Oc1ccc(\C=C\CN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
COc1ccccc1\C=C\CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
COc1ccccc1\C=C\CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
COc1ccc(\C=C\CN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
COc1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
OC(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
Oc1ccccc1CCCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
Oc1ccc(\C=C\CN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
CCCCCCCCCC(=O)OC(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
CN1CCC(CC1)(C#N)c1ccc(F)cc1
CN1CCC(CC1)(C#N)c1ccc(Cl)c(Cl)c1
CN1CCC(CC1)(C#N)c1ccc2ccccc2c1
CCOC(=O)C1(CCN(C)CC1)c1ccc(F)cc1
CCOC(=O)C1(CCN(C)CC1)c1ccccc1
CN1CCC(CC1)(C#N)c1ccc(I)cc1
CN1CCC(CC1)(C#N)c1ccc(Cl)cc1
CCOC(=O)C1(CCN(C)CC1)c1ccc2ccccc2c1
CCOC(=O)C1(CCN(C)CC1)c1ccc(Cl)c(Cl)c1
CN1CCC(CC1)(C#N)c1cccc2ccccc12
CCOC(=O)C1(CCN(C)CC1)c1ccc(Cl)cc1
CN1CCC(CC1)(C#N)c1ccc(C)cc1
CCOC(=O)C1(CCN(C)CC1)c1ccc(I)cc1
CCOC(=O)C1(CCN(C)CC1)c1ccc(C)cc1
CN1CCC(O)(C(C1)C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1
CN1CCC(O)(C(C1)C(=O)c1ccc(C)cc1)c1ccc(C)cc1
COc1ccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2C)-c2nnc(C)o2)cc1N1CCN(C)CC1
CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2nnc(C)o2)ccc1OS(C)(=O)=O
COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2nnc(C)o2)cc1N1CCN(C)CC1
CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)ccc1OCCF
CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)ccc1OS(=O)(=O)C(F)(F)F
CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1
COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)C(N)=N)cc1N1CCN(C)CC1
COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)C(N)=O)cc1N1CCN(C)CC1
CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)ccc1O
CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2nnc(C)o2)ccc1O
CC(C)OC(=O)C1C2CCC(CN2C)C[C@@H]1c1ccc(Cl)cc1 |TLB:13:12:6.15.14:8.9,THB:4:6:12.11:8.9,16:15:12.11:8.9|
COC(=O)C1C2CCC(CN2C)C[C@@H]1c1ccc(I)cc1 |TLB:11:10:4.13.12:6.7,THB:2:4:10.9:6.7,14:13:10.9:6.7|
COc1ccc2[nH]c(c(CCN(C)C)c2c1)-c1ccccc1
CC(C)(Cc1ccc2ccccc2c1)NC[C@H](COc3cccc(c3C#N)Cl)O
CN1CCC(CC1)Sc1c[nH]c2ccc(Cl)cc12
CN(C)Cc1ccccc1Sc1ccc(Cl)cc1N
CN(C)Cc1ccccc1Sc1ccc(cc1N)C#N
CN(C)Cc1ccccc1Sc1ccc(cc1N)C(F)(F)F
COc1ccc(Sc2ccccc2CN(C)C)c(N)c1
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccc(N)c1)N2C |TLB:25:24:4.10.9:6.7,THB:2:4:24:6.7,11:10:24:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccccc1C(C)=O)N2C |TLB:27:26:4.10.9:6.7,THB:2:4:26:6.7,11:10:26:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccc(c1)C(C)=O)N2C |TLB:27:26:4.10.9:6.7,THB:2:4:26:6.7,11:10:26:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccc(cc1)[N+]([O-])=O)N2C |TLB:27:26:4.10.9:6.7,THB:2:4:26:6.7,11:10:26:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccc(OC)cc1)N2C |TLB:26:25:4.10.9:6.7,THB:2:4:25:6.7,11:10:25:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccc(cc1)C(C)=O)N2C |TLB:27:26:4.10.9:6.7,THB:2:4:26:6.7,11:10:26:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccc(O)c1)N2C |TLB:25:24:4.10.9:6.7,THB:2:4:24:6.7,11:10:24:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccccc1OC)N2C |TLB:26:25:4.10.9:6.7,THB:2:4:25:6.7,11:10:25:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccccc1[N+]([O-])=O)N2C |TLB:27:26:4.10.9:6.7,THB:2:4:26:6.7,11:10:26:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccc(OC)c1)N2C |TLB:26:25:4.10.9:6.7,THB:2:4:25:6.7,11:10:25:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccc(c1)[N+]([O-])=O)N2C |TLB:27:26:4.10.9:6.7,THB:2:4:26:6.7,11:10:26:6.7|
CC1CN(CCN1)c1ccc2cc(ccc2n1)[N+]([O-])=O
CC1CNCCN1c1ccc2cc(ccc2n1)[N+]([O-])=O
[O-][N+](=O)c1ccc2nc(ccc2c1I)N1CCNCC1
CN1CC[C@H]([C@@H](C1)C(=O)NCc1ccc(CNC(=O)[C@@H]2CN(C)CC[C@H]2c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)C(=O)NCc1ccc(CNC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)C(=O)NCc1ccc(CNC(=O)c2ccccc2)cc1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)C(=O)NCc1ccc(CNC(=O)CCc2ccccc2)cc1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)C(=O)NCc1ccc(CNC(=O)c2cccc(Cl)c2)cc1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)C(=O)NCc1ccc(CNC(=O)c2cccc(c2)C(F)(F)F)cc1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)C(=O)NCCCCCNC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)C(=O)NCc1ccc(CNC(=O)\C=C\c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)C(=O)NCc1ccc(CNC(=O)c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)C(=O)NCc1ccc(CNC(=O)c2ccc(cc2)C(F)(F)F)cc1)c1ccc(Cl)cc1
COc1ccc(cc1)C(=O)NCc1ccc(CNC(=O)[C@@H]2CN(C)CC[C@H]2c2ccc(Cl)cc2)cc1
CN1CC[C@H]([C@@H](C1)C(=O)NCc1ccc(CNC(=O)c2ccc(C)cc2)cc1)c1ccc(Cl)cc1
CCOC(=O)C1C2CCC(CC1c1ccc3n(C)ccc3c1)N2C |THB:12:11:22:7.8,3:5:22:7.8|
CCOC(=O)C1C2CCC(CC1c1ccc3n(CC)ccc3c1)N2C |THB:12:11:23:7.8,3:5:23:7.8|
CCOC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccn1Cc1ccccc1)N2 |THB:3:5:30:7.8,12:11:30:7.8|
CCOC(=O)C1C2CCC(CC1c1ccc3n(CC)ccc3c1)N2 |THB:12:11:23:7.8,3:5:23:7.8|
CCOC(=O)C1C2CCC(CC1c1ccc(cc1)-c1c(C)ccn1C)N2C |THB:3:5:25:7.8,12:11:25:7.8|
CCOC(=O)C1C2CCC(CC1c1ccc(cc1)-c1c(C)ccn1C)N2 |THB:3:5:25:7.8,12:11:25:7.8|
CCOC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccn1C)N2C |THB:3:5:24:7.8,12:11:24:7.8|
CCOC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccn1Cc1ccccc1)N2C |THB:3:5:30:7.8,12:11:30:7.8|
CCOC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccc(-c3ccccc3)n1C)N2 |THB:3:5:30:7.8,12:11:30:7.8|
CCOC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccn1C)N2 |THB:3:5:24:7.8,12:11:24:7.8|
CCOC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccn1CC)N2C |THB:3:5:25:7.8,12:11:25:7.8|
CCOC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccc(C)n1C)N2 |THB:3:5:25:7.8,12:11:25:7.8|
CCOC(=O)C1C2CCC(CC1c1ccc3n(C)ccc3c1)N2 |THB:12:11:22:7.8,3:5:22:7.8|
CCOC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccn1CC)N2 |THB:3:5:25:7.8,12:11:25:7.8|
NCC1c2ccccc2Cc2ccccc12
[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:16|
CCC(=O)C1C2CCC(CC1c1cccc3ccccc13)N2C |THB:11:10:21:6.7,2:4:21:6.7,22:21:10.4.9:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(C)c3ccccc13)N2C |THB:11:10:22:6.7,2:4:22:6.7|
CC(C)C(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2C |TLB:23:22:5.11.10:7.8,THB:3:5:22:7.8,12:11:22:7.8|
CCC(=O)C1C2CCC(CC1c1ccc3cc(I)ccc3c1)N2C |TLB:23:22:4.10.9:6.7,THB:11:10:22:6.7,2:4:22:6.7|
CN1C2CCC1C(C(C2)c1ccc2ccccc2c1)C(C)=O |TLB:9:7:1:4.3,19:6:1:4.3,THB:0:1:6.7.8:4.3|
CCC(=O)C1C2CCC(CC1c1ccc3c(c(OC)ccc3c1)[N+]([O-])=O)N2C |TLB:27:26:4.10.9:6.7,THB:11:10:26:6.7,2:4:26:6.7|
CCC(=O)C1C2CCC(CC1c1ccc3c(CC)c(OC)ccc3c1)N2C |TLB:26:25:4.10.9:6.7,THB:11:10:25:6.7,2:4:25:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(C(C)C)c3ccccc13)N2C |THB:11:10:24:6.7,2:4:24:6.7|
CCC(=O)C1C2CCC(CC1c1ccc3cc(ccc3c1)C(C)C)N2C |TLB:25:24:4.10.9:6.7,THB:11:10:24:6.7,2:4:24:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(CC)c3ccccc13)N2C |THB:11:10:23:6.7,2:4:23:6.7|
CCC(=O)C1C2CCC(CC1c1ccc3c(C(C)=C)c(OC)ccc3c1)N2C |TLB:27:26:4.10.9:6.7,THB:11:10:26:6.7,2:4:26:6.7|
CCC(=O)C1C2CCC(CC1c1ccc3c(C(C)=O)c(OC)ccc3c1)N2C |TLB:27:26:4.10.9:6.7,THB:11:10:26:6.7,2:4:26:6.7|
CN1C2CCC1C(C(C2)c1cccc2ccccc12)C(C)=O |TLB:9:7:1:4.3,19:6:1:4.3,THB:0:1:7.6.8:4.3|
CCC(=O)C1C2CCC(CC1c1ccc3cc(CC)ccc3c1)N2C |TLB:24:23:4.10.9:6.7,THB:11:10:23:6.7,2:4:23:6.7|
CCC(=O)C1C2CCC(CC1c1ccc3ccc(I)cc3c1)N2C |TLB:23:22:4.10.9:6.7,THB:11:10:22:6.7,2:4:22:6.7|
CCC(=O)C1C2CCC(CC1c1ccc3cc(OC)ccc3c1)N2C |TLB:24:23:4.10.9:6.7,THB:11:10:23:6.7,2:4:23:6.7|
CCC(=O)C1C2CCC(CC1c1ccc3c(I)c(OC)ccc3c1)N2C |TLB:25:24:4.10.9:6.7,THB:11:10:24:6.7,2:4:24:6.7|
N#Cc1ccc2[nH]cc(C3=CCC(CC3)NCCc3ccccc3)c2c1 |t:9|
COc1cccc2CCN(Cc12)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(cc12)C#N |wU:15.20,wD:12.13,(5.64,-11.69,;6.41,-10.37,;5.63,-9.04,;4.1,-9.04,;3.33,-7.69,;4.1,-6.38,;5.63,-6.38,;6.41,-5.04,;7.95,-5.05,;8.71,-6.39,;7.95,-7.73,;6.4,-7.71,;10.25,-6.39,;11.02,-7.73,;12.57,-7.73,;13.34,-6.4,;12.57,-5.06,;11.03,-5.05,;14.88,-6.4,;15.35,-7.87,;16.9,-7.85,;17.37,-6.39,;18.76,-5.76,;18.93,-4.22,;17.67,-3.33,;16.27,-3.96,;16.12,-5.49,;17.82,-1.79,;17.97,-.26,)|
N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCCCC3)c2c1 |wU:12.15,9.8,(-3.7,-6.91,;-2.37,-7.68,;-1.03,-8.47,;-1.04,-10.01,;.29,-10.79,;1.63,-10.02,;3.1,-10.51,;4.01,-9.29,;3.13,-8.03,;3.6,-6.56,;5.13,-6.26,;5.6,-4.81,;4.58,-3.65,;3.06,-3.97,;2.59,-5.42,;5.06,-2.19,;4.04,-1.05,;4.53,.41,;6.03,.72,;7.05,-.43,;6.58,-1.87,;1.66,-8.5,;.3,-7.71,)|
COc1cccc2CCN(Cc12)[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)C#N |wU:12.13,15.20,(5.64,-11.69,;6.41,-10.37,;5.63,-9.04,;4.1,-9.04,;3.33,-7.69,;4.1,-6.38,;5.63,-6.38,;6.41,-5.04,;7.95,-5.05,;8.71,-6.39,;7.95,-7.73,;6.4,-7.71,;10.25,-6.39,;11.03,-5.05,;12.57,-5.06,;13.34,-6.4,;12.57,-7.73,;11.02,-7.73,;14.88,-6.4,;15.35,-7.87,;16.9,-7.85,;17.37,-6.39,;18.76,-5.76,;18.93,-4.22,;17.67,-3.33,;16.27,-3.96,;16.12,-5.49,;17.82,-1.79,;17.97,-.26,)|
C(N[C@H]1CC[C@H](CC1)c1c[nH]c2ccccc12)c1ccccc1 |wU:5.8,2.1,(13.16,-1.22,;11.65,-1.54,;11.18,-2.99,;12.2,-4.15,;11.72,-5.61,;10.2,-5.91,;9.19,-4.77,;9.67,-3.32,;9.71,-7.38,;10.6,-8.63,;9.69,-9.85,;8.22,-9.36,;6.89,-10.13,;5.56,-9.35,;5.58,-7.81,;6.9,-7.05,;8.26,-7.85,;14.19,-2.38,;13.69,-3.83,;14.72,-4.98,;16.24,-4.65,;16.73,-3.2,;15.71,-2.05,)|
COc1ccc2CN(CCc2c1)[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)C#N |r,wU:12.13,15.20,(10.58,5.27,;9.25,6.04,;7.91,5.27,;7.91,3.73,;6.57,2.97,;5.25,3.74,;3.93,2.97,;2.59,3.75,;2.59,5.28,;3.93,6.05,;5.26,5.28,;6.59,6.04,;1.26,2.98,;1.26,1.44,;-.07,.67,;-1.41,1.45,;-1.41,2.97,;-.08,3.75,;-2.74,.67,;-2.89,-.87,;-4.41,-1.2,;-5.19,.14,;-6.69,.45,;-7.18,1.91,;-6.15,3.07,;-4.64,2.76,;-4.16,1.3,;-6.63,4.53,;-7.11,5.99,)|
Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)NCc3ccccc3)c2c1 |wU:8.7,wD:11.14,(-1.9,-7.04,;-.57,-7.81,;-.6,-9.37,;.73,-10.14,;2.08,-9.39,;3.55,-9.88,;4.46,-8.64,;3.57,-7.39,;4.04,-5.93,;3.04,-4.8,;3.5,-3.34,;5.02,-3.01,;6.04,-4.17,;5.58,-5.64,;5.51,-1.56,;7,-1.26,;8.02,-2.4,;9.54,-2.07,;10.56,-3.24,;10.07,-4.68,;8.56,-5.01,;7.53,-3.84,;2.1,-7.86,;.75,-7.07,)|
COc1ccc2CN(CCc2c1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(cc12)C#N |r,wU:15.20,wD:12.13,(32.14,4.98,;30.81,5.75,;29.47,4.98,;29.47,3.44,;28.13,2.68,;26.81,3.46,;25.49,2.69,;24.15,3.46,;24.15,5,;25.49,5.76,;26.82,4.99,;28.15,5.75,;22.82,2.69,;21.48,3.46,;20.15,2.69,;20.15,1.16,;21.49,.38,;22.82,1.15,;18.82,.38,;18.67,-1.16,;17.15,-1.49,;16.37,-.15,;14.86,.16,;14.38,1.63,;15.41,2.78,;16.92,2.47,;17.4,1.01,;14.93,4.24,;14.45,5.7,)|
COc1ccc2CCN(Cc2c1)[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)C#N |wU:12.13,15.20,(2.56,-10.89,;4.08,-10.89,;4.86,-9.57,;4.08,-8.22,;4.86,-6.89,;6.38,-6.89,;7.17,-5.57,;8.7,-5.57,;9.47,-6.92,;8.7,-8.24,;7.15,-8.24,;6.38,-9.57,;11,-6.92,;11.78,-5.57,;13.31,-5.59,;14.08,-6.92,;13.31,-8.24,;11.77,-8.24,;15.62,-6.92,;16.1,-8.38,;17.64,-8.38,;18.11,-6.92,;19.5,-6.29,;19.67,-4.75,;18.41,-3.85,;17.01,-4.47,;16.87,-6.01,;18.56,-2.31,;18.71,-.78,)|
COc1cccc2CN(CCCc3c[nH]c4ccc(F)cc34)CCc12
Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)NCc3ccccc3)c2c1 |wU:8.7,11.14,(-1.9,-7.04,;-.57,-7.81,;-.6,-9.37,;.73,-10.14,;2.08,-9.39,;3.55,-9.88,;4.46,-8.64,;3.57,-7.39,;4.04,-5.93,;5.58,-5.64,;6.04,-4.17,;5.02,-3.01,;3.5,-3.34,;3.04,-4.8,;5.51,-1.56,;7,-1.26,;8.02,-2.4,;9.54,-2.07,;10.56,-3.24,;10.07,-4.68,;8.56,-5.01,;7.53,-3.84,;2.1,-7.86,;.75,-7.07,)|
Fc1ccc2[nH]cc(CCCN3CCc4ccccc4C3)c2c1
N#Cc1ccc2[nH]cc(C3=CCC(CC3)NCc3ccccc3)c2c1 |t:9|
N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)NCc3ccccc3)c2c1 |wU:9.8,12.15,(-3.24,-6.28,;-1.9,-7.04,;-.57,-7.81,;-.6,-9.37,;.73,-10.14,;2.08,-9.39,;3.55,-9.88,;4.46,-8.64,;3.57,-7.39,;4.04,-5.93,;5.58,-5.64,;6.04,-4.17,;5.02,-3.01,;3.5,-3.34,;3.04,-4.8,;5.51,-1.56,;7,-1.26,;8.02,-2.4,;7.53,-3.84,;8.56,-5.01,;10.07,-4.68,;10.56,-3.24,;9.54,-2.07,;2.1,-7.86,;.75,-7.07,)|
COc1cccc2CN(CCc12)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(cc12)C#N |wU:15.20,wD:12.13,(4.13,-4.89,;3.36,-6.22,;4.13,-7.55,;3.35,-8.88,;4.13,-10.22,;5.66,-10.22,;6.42,-8.89,;7.97,-8.9,;8.74,-7.57,;7.97,-6.22,;6.43,-6.22,;5.66,-7.55,;10.27,-7.57,;11.04,-8.9,;12.59,-8.9,;13.36,-7.57,;12.59,-6.24,;11.06,-6.22,;14.9,-7.57,;15.37,-9.04,;16.92,-9.03,;17.39,-7.57,;18.77,-6.94,;18.95,-5.4,;17.69,-4.5,;16.3,-5.13,;16.14,-6.67,;17.84,-2.96,;17.99,-1.43,)|
N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)NCCc3ccccc3)c2c1 |wU:9.8,wD:12.15,(-8.5,-4.57,;-7.17,-5.34,;-5.84,-6.13,;-5.85,-7.68,;-4.51,-8.45,;-3.18,-7.68,;-1.71,-8.17,;-.8,-6.95,;-1.68,-5.69,;-1.19,-4.22,;-2.21,-3.07,;-1.73,-1.62,;-.21,-1.29,;.8,-2.46,;.33,-3.91,;.26,.16,;1.76,.48,;2.81,-.69,;4.31,-.36,;4.78,1.09,;6.29,1.42,;7.33,.25,;6.84,-1.2,;5.33,-1.53,;-3.15,-6.16,;-4.5,-5.36,)|
N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCc4ccccc4C3)c2c1 |r,wU:12.15,9.8,(-6.79,-2.79,;-6.31,-4.25,;-5.83,-5.72,;-6.86,-6.87,;-6.38,-8.33,;-4.87,-8.64,;-4.09,-9.98,;-2.57,-9.65,;-2.42,-8.11,;-1.09,-7.33,;.25,-8.11,;1.58,-7.34,;1.58,-5.8,;.24,-5.03,;-1.1,-5.81,;2.91,-5.03,;2.91,-3.5,;4.25,-2.73,;5.58,-3.5,;6.91,-2.74,;8.23,-3.51,;8.23,-5.05,;6.89,-5.81,;5.57,-5.04,;4.25,-5.81,;-3.84,-7.48,;-4.32,-6.03,)|
N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCCCC3)c2c1 |wU:9.8,wD:12.15,(6.73,-9.37,;8.07,-10.14,;9.41,-10.92,;9.4,-12.46,;10.73,-13.24,;12.08,-12.47,;13.55,-12.96,;14.46,-11.73,;13.57,-10.49,;14.05,-9.02,;13.03,-7.87,;13.51,-6.42,;15.03,-6.1,;16.05,-7.25,;15.58,-8.71,;15.51,-4.63,;14.48,-3.49,;14.97,-2.03,;16.47,-1.71,;17.49,-2.87,;17.03,-4.32,;12.1,-10.95,;10.74,-10.16,)|
N#Cc1ccc2[nH]cc(C3=CCC(CC3)N3CCCCC3)c2c1 |t:9|
C(N[C@H]1CC[C@@H](CC1)c1c[nH]c2ccccc12)c1ccccc1 |wU:5.8,wD:2.1,(13.16,-1.22,;11.65,-1.54,;11.18,-2.99,;9.67,-3.32,;9.19,-4.77,;10.2,-5.91,;11.72,-5.61,;12.2,-4.15,;9.71,-7.38,;10.6,-8.63,;9.69,-9.85,;8.22,-9.36,;6.89,-10.13,;5.56,-9.35,;5.58,-7.81,;6.9,-7.05,;8.26,-7.85,;14.19,-2.38,;13.69,-3.83,;14.72,-4.98,;16.24,-4.65,;16.73,-3.2,;15.71,-2.05,)|
COc1ccc2CN(CCCc3c[nH]c4ccc(F)cc34)CCc2c1
COc1ccc2CCN(Cc2c1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(cc12)C#N |wU:15.20,wD:12.13,(2.56,-10.89,;4.08,-10.89,;4.86,-9.57,;4.08,-8.22,;4.86,-6.89,;6.38,-6.89,;7.17,-5.57,;8.7,-5.57,;9.47,-6.92,;8.7,-8.24,;7.15,-8.24,;6.38,-9.57,;11,-6.92,;11.77,-8.24,;13.31,-8.24,;14.08,-6.92,;13.31,-5.59,;11.78,-5.57,;15.62,-6.92,;16.1,-8.38,;17.64,-8.38,;18.11,-6.92,;19.5,-6.29,;19.67,-4.75,;18.41,-3.85,;17.01,-4.47,;16.87,-6.01,;18.56,-2.31,;18.71,-.78,)|
N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)NCc3ccccc3)c2c1 |wU:9.8,wD:12.15,(-3.24,-6.28,;-1.9,-7.04,;-.57,-7.81,;-.6,-9.37,;.73,-10.14,;2.08,-9.39,;3.55,-9.88,;4.46,-8.64,;3.57,-7.39,;4.04,-5.93,;3.04,-4.8,;3.5,-3.34,;5.02,-3.01,;6.04,-4.17,;5.58,-5.64,;5.51,-1.56,;7,-1.26,;8.02,-2.4,;7.53,-3.84,;8.56,-5.01,;10.07,-4.68,;10.56,-3.24,;9.54,-2.07,;2.1,-7.86,;.75,-7.07,)|
N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCc4ccccc4C3)c2c1 |r,wU:9.8,wD:12.15,(14.62,-2.1,;15.1,-3.56,;15.58,-5.02,;14.55,-6.17,;15.04,-7.64,;16.54,-7.95,;17.32,-9.29,;18.84,-8.96,;19,-7.42,;20.33,-6.64,;20.32,-5.11,;21.65,-4.34,;22.99,-5.11,;22.99,-6.65,;21.66,-7.42,;24.32,-4.34,;24.32,-2.8,;25.66,-2.04,;26.99,-2.81,;28.32,-2.05,;29.64,-2.82,;29.64,-4.36,;28.31,-5.12,;26.98,-4.35,;25.66,-5.11,;17.58,-6.79,;17.09,-5.33,)|
COc1cccc2CN(CCc12)[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)C#N |wU:12.13,15.20,(4.13,-4.89,;3.36,-6.22,;4.13,-7.55,;3.35,-8.88,;4.13,-10.22,;5.66,-10.22,;6.42,-8.89,;7.97,-8.9,;8.74,-7.57,;7.97,-6.22,;6.43,-6.22,;5.66,-7.55,;10.27,-7.57,;11.06,-6.22,;12.59,-6.24,;13.36,-7.57,;12.59,-8.9,;11.04,-8.9,;14.9,-7.57,;15.37,-9.04,;16.92,-9.03,;17.39,-7.57,;18.77,-6.94,;18.95,-5.4,;17.69,-4.5,;16.3,-5.13,;16.14,-6.67,;17.84,-2.96,;17.99,-1.43,)|
N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)NCCc3ccccc3)c2c1 |wU:9.8,12.15,(-8.5,-4.57,;-7.17,-5.34,;-5.84,-6.13,;-5.85,-7.68,;-4.51,-8.45,;-3.18,-7.68,;-1.71,-8.17,;-.8,-6.95,;-1.68,-5.69,;-1.19,-4.22,;.33,-3.91,;.8,-2.46,;-.21,-1.29,;-1.73,-1.62,;-2.21,-3.07,;.26,.16,;1.76,.48,;2.81,-.69,;4.31,-.36,;4.78,1.09,;6.29,1.42,;7.33,.25,;6.84,-1.2,;5.33,-1.53,;-3.15,-6.16,;-4.5,-5.36,)|
Clc1ccc(cc1)N1CCN(CCC(Oc2ccc3OCOc3c2)c2ccccc2)CC1
COc1ccccc1N1CCN(CCC(=O)c2cc(C)sc2C)CC1
OC(CCN1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)c1ccccc1
COc1ccccc1N1CCN(CCC(Oc2ccc(cc2)C(F)(F)F)c2ccccc2)CC1
COc1cc(Cl)ccc1N1CCN(CCC(=O)c2csc3ccccc23)CC1
Clc1ccc(cc1)N1CCN(CCC(=O)c2ccc3ccccc3c2)CC1
COc1ccccc1N1CCN(CCC(N=O)c2ccc(C)s2)CC1
Cc1cc(C(=O)CCN2CCN(CC2)c2cccc3ccccc23)c(C)s1
Cc1cc(C(O)CCN2CCN(CC2)c2ccccc2O)c(C)s1
OC(CCN1CCN(CC1)c1ccccc1O)c1ccc2ccccc2c1
Clc1ccc(cc1)N1CCN(CCC(=O)c2cccs2)CC1
COc1ccccc1N1CCN(CCC(=O)c2ccccc2)CC1
Clc1ccc(cc1)N1CCN(CCC(=O)c2csc3ccccc23)CC1
OC(CCN1CCN(CC1)c1ccccc1Cl)c1ccccc1
COc1cc(F)ccc1N1CCN(CCC(O)c2csc3ccccc23)CC1
OC(CCN1CCN(CC1)c1ccccc1Cl)c1ccsc1
Cc1cc(C(=O)CCN2CCN(CC2)c2ccccc2O)c(C)s1
OC(CCN1CCN(CC1)c1ccc(Cl)cc1)c1ccc2ccccc2c1
COc1ccccc1N1CCN(CCC(=O)c2ccc(s2)[N+]([O-])=O)CC1
FC(F)(F)c1ccc(OC(CCN2CCN(CC2)c2ccccn2)c2ccccc2)cc1
COc1ccc(cc1)N1CCN(CCC(=O)c2ccccc2)CC1
Clc1ccc(cc1)N1CCN(CCC(=O)c2ccsc2)CC1
COc1ccccc1N1CCN(CCC(=O)c2cccs2)CC1
O=C(CCN1CCN(CC1)c1cccc2ccccc12)c1ccsc1
COc1ccc(cc1)C(O)CCN1CCN(CC1)c1ccccc1OC
FC(F)(F)c1ccc(OC(CCN2CCN(CC2)c2ccc(Cl)cc2)c2ccccc2)cc1
COc1ccc(cc1)N1CCN(CCC(Oc2ccc(cc2)C(F)(F)F)c2ccccc2)CC1
COc1ccccc1N1CCN(CCC(Oc2ccc3OCOc3c2)c2ccccc2)CC1
COc1ccccc1N1CCN(CCC(N=O)c2ccsc2)CC1
O=C(CCN1CCN(CC1)c1ccccn1)c1ccccc1
[O-][N+](=O)c1ccc(cc1)N1CCN(CCC(=O)c2ccccc2)CC1
COc1ccccc1N1CCN(CCC(Oc2cccc3ccccc23)c2ccsc2)CC1
COc1ccc(cc1)C(=O)CCN1CCN(CC1)c1ccccc1OC
OC(CCN1CCN(CC1)c1ncccn1)c1ccccc1
COc1ccccc1N1CCN(CCC(O)c2ccc(C)s2)CC1
COc1ccccc1N1CCN(CCC(=O)c2ccc(C)s2)CC1
FC(F)(F)c1ccc(OC(CCN2CCN(CC2)c2ccccc2Cl)c2ccccc2)cc1
O=C(CCN1CCN(CC1)c1cccc2ccccc12)c1csc2ccccc12
COc1ccccc1N1CCN(CCC(=O)c2ccsc2)CC1
COc1cc(Cl)ccc1N1CCN(CCC(O)c2csc3ccccc23)CC1
COc1ccccc1N1CCN(CCC(O)c2ccccc2)CC1
O=C(CCN1CCN(CC1)c1ncccn1)c1ccccc1
Oc1ccccc1N1CCN(CCC(=O)c2ccc3ccccc3c2)CC1
COc1ccccc1N1CCN(CCC(Oc2ccc(cc2)C(F)(F)F)c2ccc(cc2)-c2ccccc2)CC1
OC(CCN1CCN(CC1)c1ccc(Cl)cc1)c1ccccc1
Clc1ccc(cc1)N1CCN(CCC(N=O)c2ccccc2)CC1
OC(CCN1CCN(CC1)c1ccccn1)c1ccccc1
COc1ccc(OC(CCN2CCN(CC2)c2ccc(Cl)cc2)c2ccccc2)cc1
Fc1ccc(cc1)N1CCN(CCC(Oc2ccc(cc2)C(F)(F)F)c2ccccc2)CC1
COc1ccccc1N1CCN(CCC(=O)c2ccc3ccccc3c2)CC1
[O-][N+](=O)c1ccc(cc1)N1CCN(CCC(Oc2ccc(cc2)C(F)(F)F)c2ccccc2)CC1
COc1ccccc1N1CCN(CCC(Oc2ccc3OCOc3c2)c2ccsc2)CC1
COc1ccccc1N1CCN(CCC(=O)c2ccc(cc2)-c2ccccc2)CC1
COc1ccccc1N1CCN(CCC(Oc2ccc(cc2)C(F)(F)F)c2ccsc2)CC1
OC(CCN1CCN(CC1)c1ccc(Cl)cc1)c1csc2ccccc12
COc1ccccc1N1CCN(CCC(N=O)c2cc(C)sc2C)CC1
COc1ccccc1N1CCN(CCC(O)c2ccc(cc2)[N+]([O-])=O)CC1
COc1ccccc1N1CCN(CCC(O)c2ccsc2)CC1
COc1ccccc1N1CCN(CCC(N=O)c2csc3ccccc23)CC1
Clc1ccccc1N1CCN(CCC(=O)c2ccsc2)CC1
COc1ccccc1N1CCN(CCC(O)c2ccc3ccccc3c2)CC1
Oc1ccccc1N1CCN(CCC(=O)c2csc3ccccc23)CC1
COc1ccccc1N1CCN(CCC(O)c2cccs2)CC1
FC(F)(F)c1ccc(OC(CCN2CCN(CC2)c2ncccn2)c2ccccc2)cc1
COc1cc(F)ccc1N1CCN(CCC(=O)c2cc(C)sc2C)CC1
COc1cc(F)ccc1N1CCN(CCC(=O)c2csc3ccccc23)CC1
COc1ccccc1N1CCN(CCC(N=O)c2ccccc2)CC1
OC(CCN1CCN(CC1)c1ccccc1O)c1csc2ccccc12
COc1ccccc1N1CCN(CCC(O)c2cc(C)sc2C)CC1
OC(CCN1CCN(CC1)c1ccc(Cl)cc1)c1cccs1
OC(CCN1CCN(CC1)c1ccc(F)cc1)c1ccccc1
COc1ccccc1N1CCN(CCC(O)c2csc3ccccc23)CC1
COc1ccccc1N1CCN(CCC(=O)c2ccc(cc2)[N+]([O-])=O)CC1
Fc1ccc(cc1)N1CCN(CCC(=O)c2ccccc2)CC1
OC(CCN1CCN(CC1)c1ccc(Cl)cc1)c1ccsc1
COc1ccccc1N1CCN(CCC(Oc2cccc3ccccc23)c2cccs2)CC1
COc1ccccc1N1CCN(CCC(O)c2ccc(cc2)-c2ccccc2)CC1
Clc1ccc(cc1)N1CCN(CCC(=O)c2ccccc2)CC1
COc1ccc(cc1)N1CCN(CCC(O)c2ccccc2)CC1
COc1ccc(cc1)C(CCN1CCN(CC1)c1ccccc1OC)Oc1ccc(cc1)C(F)(F)F
COc1cc(Cl)ccc1N1CCN(CCC(=O)c2cc(C)sc2C)CC1
COc1ccc(OC(CCN2CCN(CC2)c2ccccc2OC)c2ccccc2)cc1
Clc1ccccc1N1CCN(CCC(=O)c2ccccc2)CC1
COc1ccccc1N1CCN(CCC(=O)c2csc3ccccc23)CC1
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2 |THB:2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2CCCF |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(Br)cc1)N2CCCF |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2CCF |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCF |TLB:11:10:18:6.7,THB:2:4:18:6.7|
FCCCN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)OCCF |TLB:19:9:4:7.6,THB:12:10:4:7.6|
CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)OCCF |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(=O)OCCCF |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)OCCCF |TLB:16:6:1:4.3,THB:9:7:1:4.3|
C(CN1CCC(=CC1)c1c[nH]c2ncccc12)Oc1cccc2OCCOc12 |c:5|
Fc1ccc2[nH]cc(C3=CCN(CCOc4cccc5OCCOc45)CC3)c2c1 |t:8|
C(CN1CCC(=CC1)c1c[nH]c2ccccc12)Oc1cccc2[nH]ccc12 |c:5|
C(CN1CCC(=CC1)c1c[nH]c2ccccc12)Oc1cccc2ncccc12 |c:5|
Fc1ccc2c(c[nH]c2c1)C1CCN(CCOc2cccc3OCCOc23)CC1
C(CN1CCC(=CC1)c1c[nH]c2ncccc12)Oc1cccc2[nH]ccc12 |c:5|
C(CN1CCC(=CC1)c1c[nH]c2ccccc12)Oc1cccc2OCCOc12 |c:5|
Fc1ccc2c(c[nH]c2c1)C1=CCN(CCOc2cccc3OCCOc23)CC1 |t:12|
C(CN1CCC(=CC1)c1c[nH]c2ncccc12)Oc1cccc2ncccc12 |c:5|
Fc1ccc2[nH]cc(CC3CCN(CCOc4cccc5OCCOc45)CC3)c2c1
CNCc1ccccc1Sc1ccc(Br)cc1N
CN(C)Cc1ccccc1Sc1ccc(I)cc1N
CNCc1ccccc1Sc1ccc(I)cc1N
CN(C)Cc1ccccc1Sc1ccc(Br)cc1N
CN(C)C(=O)c1ccccc1Sc1ccc(F)cc1C=O
CN(CCF)Cc1ccccc1Sc1ccc(I)cc1N
CN(C)Cc1ccccc1Sc1ccc(\C=C\I)cc1N
CNCc1ccccc1Sc1ccc(I)cc1CO
CN(C)Cc1ccccc1Sc1ccc(F)cc1CO
COCc1cc(I)ccc1Sc1ccccc1CN(C)C
COCc1cc(Br)ccc1Sc1ccccc1CN(C)C
CN(C)C(=O)c1ccccc1Sc1ccc(Br)cc1C=O
OCC(N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
OCC(N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
O[C@H](CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
OC(CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
O[C@@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
O[C@@H](CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
O[C@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(=O)CC\C=C\I |TLB:16:6:1:4.3,0:1:6.7.8:4.3|
CCC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2 |THB:2:4:18:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(\C=C\I)cc1)N2 |THB:2:4:20:6.7|
CCC(=O)C1C2CCC(CC1c1cccc(I)c1)N2 |THB:2:4:18:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(I)c(F)c1)N2C |TLB:20:19:4.10.9:6.7,THB:2:4:19:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(\C=C(\C)I)cc1)N2 |THB:2:4:21:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccn1C)N2C\C=C/I |TLB:24:23:4.10.9:6.7,THB:2:4:23:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccn1C)N2C\C=C\I |TLB:24:23:4.10.9:6.7,THB:2:4:23:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(I)c(Cl)c1)N2 |THB:2:4:19:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(I)c(F)c1)N2 |THB:2:4:19:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(\C=C(/C)I)cc1)N2 |THB:2:4:21:6.7|
CCC(=O)C1C2CCC(CC1c1cccc(I)c1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(I)c(Cl)c1)N2C |TLB:20:19:4.10.9:6.7,THB:2:4:19:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7|
CN1C2CCC1C(C(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCc1ccccc1 |TLB:0:1:6.7.8:4.3,25:6:1:4.3,THB:9:7:1:4.3|
CC(C)OC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:30:29:6.12.11:8.9,13:12:29:8.9,THB:4:6:29:8.9|
[H][C@@]12CCC(C([C@H](C1)c1ccc(Cl)cc1)C(=O)OCCc1ccc(cc1)N=S)N2C |r,THB:15:5:3.2:28,8:6:3.2:28|
[H][C@@]12CCC(C([C@@H](C1)c1ccc(Br)cc1)C(=O)OC)N2C |r,TLB:8:6:3.2:19,THB:15:5:3.2:19|
CCc1ccc(cc1I)[C@H]1C[C@H]2CCC(N2)C1C(=O)OC |THB:5:9:15:13.12,17:16:15:13.12|
COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(cc1)C(C)=C)N2 |THB:2:4:20:6.7,11:10:20:6.7|
[H][C@@]12CCC(C([C@@H](C1)c1ccc(C)cc1)C(=O)OC)N2C |r,TLB:8:6:3.2:19,THB:15:5:3.2:19|
[H][C@@]12CCC(C([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)OC)N2C |r,TLB:8:6:3.2:20,THB:16:5:3.2:20|
CN(C)C(=O)C1C2CC[C@H](C[C@@H]1c1ccc(Cl)cc1)N2C |THB:3:5:19:7.8,12:11:19:7.8,20:19:5.11.10:7.8|
CC(C)OC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C |THB:4:6:20:8.9,13:12:20:8.9,21:20:6.12.11:8.9|
COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(Cl)c(C)c1)N2C |THB:20:19:4.10.9:6.7,11:10:19:6.7,2:4:19:6.7|
CN1[C@@H]2CCC1C([C@H](C2)c1ccc(Cl)cc1)c1cc(no1)-c1ccc(C)cc1 |TLB:16:6:1:4.3,9:7:1:4.3,THB:0:1:6.7.8:4.3|
COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(C)c(F)c1)N2 |THB:11:10:19:6.7,2:4:19:6.7|
[H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)N1CCCC1)N2C |r,TLB:24:23:7.8.6:2.3|
CCc1ccc(cc1)[C@H]1C[C@H]2CCC(C1C(=O)OC)N2C |THB:15:14:19:12.11,5:8:19:12.11,20:19:14.8.9:12.11|
COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7|
CCc1ccc(cc1)[C@H]1C[C@H]2CCC(N2)C1C(=O)OC |THB:16:15:14:12.11,5:8:14:12.11|
CN1[C@@H]2CCC1C([C@H](C2)c1ccc(C)cc1)c1ccccc1 |TLB:9:7:1:4.3,16:6:1:4.3,THB:0:1:7.6.8:4.3|
CN1[C@@H]2CCC1C([C@H](C2)c1ccc(Cl)cc1)c1cc(no1)-c1ccccc1 |TLB:16:6:1:4.3,9:7:1:4.3,THB:0:1:6.7.8:4.3|
COC(=O)C1C2CC[C@H](C[C@@H]1c1cccc(I)c1)N2 |THB:2:4:18:6.7,11:10:18:6.7|
CC(COc1ccc2OCC(=O)Nc2c1)NCC(O)COc1cccc2[nH]ccc12
Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
CN(C)CC(O)COc1cccc2[nH]ccc12
O=C1COc2ccc(OCCNCCCOc3cccc4[nH]ccc34)cc2N1
COc1cc2OCC3C(CN4CCN(C\C=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC |w:7.6,8.8,c:29|
COc1cc2NCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |w:7.6,8.8,c:29|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC |c:30|
COc1cccc2Cc3ccccc3[C@H]3CN(C)CCN3c12
CN1CCN2C(C1)c1ccccc1Cc1ccccc21
COc1cccc2Cc3ccccc3C3CN(C)CCN3c12
COc1cccc2Cc3ccccc3[C@@H]3CN(C)CCN3c12
OC1(N2CCN=C2c2c1ccc1ccccc21)c1ccc2ccccc2c1 |c:5|
OC1(N2CCCN=C2c2c1ccc1ccccc21)c1ccc(Cl)cc1 |c:6|
OC1(N2CCN=C2c2c1ccc1ccccc21)c1ccc(Cl)cc1 |c:5|
OC1(N2[C@H]3CCCC[C@@H]3N=C2c2ccccc12)c1ccc(Cl)cc1 |c:10|
OC1(N2CCN=C2c2ccccc12)c1ccc2ccccc2c1 |c:5|
OC(CCN1CCN(CC1)C1Nc2ccccc2C=C1)c1csc2ccccc12 |c:20|
OC(CCN1CCN(CC1)c1cccc2OCCCOc12)c1csc2ccc(F)cc12
OC(CCN1CCN(CC1)c1cccc2OCOc12)c1csc2ccc(F)cc12
OC(CCN1CCN(CC1)c1cccc2[nH]ccc12)c1csc2ccc(F)cc12
OC(CCN1CCN(CC1)c1cccc2cccnc12)c1csc2ccc(F)cc12
OC(CCN1CCN(CC1)c1cccc2OCCCOc12)c1csc2ccccc12
OC(CCN1CCN(CC1)c1cccc2OCCOc12)c1csc2ccc(F)cc12
OC(CCN1CCN(CC1)c1cccc2OCCOc12)c1csc2ccccc12
OC(CCN1CCN(CC1)c1ccc2sccc2c1)c1csc2ccccc12
OC(CCN1CCN(CC1)c1ccnc2ccccc12)c1csc2ccccc12
OC(CCN1CCN(CC1)c1cnc2ccccc2c1)c1csc2ccccc12
OC(CCN1CCN(CC1)c1ccc2ccccc2n1)c1csc2ccccc12
OC(CCN1CCN(CC1)c1cccc2[nH]ccc12)c1csc2ccccc12
OC(CCN1CCN(CC1)c1ccc2ncccc2c1)c1csc2ccccc12
OC(CCN1CCN(CC1)c1cccc2ccccc12)c1csc2ccccc12
OC(CCN1CCN(CC1)c1cccc2ccccc12)c1csc2ccc(F)cc12
OC(CCN1CCN(CC1)c1cccc2cccnc12)c1csc2ccccc12
OC(CCN1CCN(CC1)c1cccc2ncccc12)c1csc2ccccc12
O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc3ccccc3c2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCC1CCN(Cc2cc3ccccc3[nH]2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCC1CCN(C\C=C\c2cccs2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCC1CCN(Cc2cc3ccccc3o2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCC1CCN(Cc2cc3ccccc3s2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCC1CCN(CC#Cc2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCC1CCN(C\C=C\c2ccco2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCC1CCN(Cc2cccc3ccccc23)CC1)c1ccc(F)cc1
CN(C)Cc1ccccc1Sc1ccc(CF)cc1N
CN(C)Cc1ccccc1Sc1ccc(Cl)cc1CO
CN(C)C(=O)c1ccccc1Sc1cc(N)c(Cl)cc1[N+]([O-])=O
CN(C)Cc1ccccc1Sc1cc(F)c(Cl)cc1N
CN(C)Cc1ccccc1Sc1cc(F)c(Cl)cc1[N+]([O-])=O
C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(C)cc2)CC1
Cc1c(ccc2nc(ccc12)N1CCNCC1)[N+]([O-])=O
Cc1ccc(c(c1)C)Sc2ccccc2N3CCNCC3
COc1cccc(CN2CCN(CC2)C2CCC(O)(CC2)c2ccc3OCOc3c2)c1 |(19.14,-2.99,;18.39,-4.34,;16.85,-4.34,;16.08,-5.68,;14.54,-5.68,;13.77,-4.35,;14.54,-3.02,;13.77,-1.69,;12.23,-1.69,;11.46,-3.02,;9.92,-3.02,;9.15,-1.69,;9.92,-.36,;11.46,-.36,;7.61,-1.69,;6.63,-.89,;4.79,-.89,;4.53,.65,;4.93,2.14,;5.58,-.17,;7.35,-.15,;2.99,.65,;2.22,-.66,;.68,-.66,;-.07,.69,;-1.58,1.02,;-1.73,2.54,;-.32,3.17,;.71,2.01,;2.24,2,;16.08,-3.02,)|
OC1(CCC(CC1)N1CCN(Cc2ccccc2)CC1)c1ccc2OCOc2c1 |(5.23,1.3,;4.83,-.19,;5.88,-1.03,;7.64,-.99,;7.91,-2.53,;6.93,-1.73,;5.09,-1.73,;9.45,-2.53,;10.2,-1.2,;11.74,-1.2,;12.51,-2.53,;14.05,-2.53,;14.82,-3.86,;14.05,-5.19,;14.82,-6.52,;16.36,-6.52,;17.13,-5.18,;16.36,-3.86,;11.74,-3.86,;10.22,-3.86,;3.29,-.17,;2.5,-1.5,;.98,-1.5,;.21,-.16,;-1.31,.18,;-1.45,1.72,;-.02,2.33,;.99,1.17,;2.53,1.16,)|
Fc1ccc2[nH]cc(C3=CCN(CCCCN4C(=O)c5ccccc5C4=O)CC3)c2c1 |t:8|
Fc1ccc2C(=O)N(CCCCCN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)C(=O)c2c1 |c:16|
Cc1cccc2C(=O)N(CCCCCN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)C(=O)c12 |c:17|
Fc1ccc(cc1)C(=O)CCCN1CCC(CCc2c[nH]c3ccccc23)CC1
Fc1ccc2[nH]cc(C3=CCN(CCCCCCCN4C(=O)c5ccccc5C4=O)CC3)c2c1 |t:8|
C1CC(=CCN1)c1c[nH]c2ccccc12 |c:2|
Fc1ccc2[nH]cc(C3=CCN(CCCCCN4C(=O)c5cccc(F)c5C4=O)CC3)c2c1 |t:8|
Cc1cccc2C(=O)N(CCCCCN3CCC(=CC3)c3c[nH]c4ccccc34)C(=O)c12 |c:17|
Cc1cccc2c(c[nH]c12)C1=CCN(CCCCCN2C(=O)c3ccccc3C2=O)CC1 |t:12|
O=C1N(CCCCCN2CCC(=CC2)c2c[nH]c3ccccc23)C(=O)c2ccccc12 |c:11|
Fc1cccc2C(=O)N(CCCCCN3CCC(=CC3)c3c[nH]c4ccccc34)C(=O)c12 |c:17|
Clc1ccc2[nH]cc(C3=CCN(CCCCCN4C(=O)c5ccccc5C4=O)CC3)c2c1 |t:8|
Fc1ccc2C(=O)N(CCCCCN3CCC(=CC3)c3c[nH]c4ccccc34)C(=O)c2c1 |c:16|
Cc1ccc2C(=O)N(CCCCCN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)C(=O)c2c1 |c:16|
Fc1ccc2[nH]cc(C3=CCN(CCCCCN4C(=O)c5ccccc5C4=O)CC3)c2c1 |t:8|
Cc1ccc2C(=O)N(CCCCCN3CCC(=CC3)c3c[nH]c4ccccc34)C(=O)c2c1 |c:16|
Fc1ccc2[nH]cc(C3=CCN(CCCN4C(=O)c5ccccc5C4=O)CC3)c2c1 |t:8|
C[C@@](O)(CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
C[C@@H](O)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
CC(O)(CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
C[C@@H](O)CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
Fc1ccc(cc1)C(OCCN1CCN(CC=C)CC1)c1ccc(F)cc1
CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
C[C@](O)(CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
O[C@H](CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
O[C@@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
C[C@H](O)CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
C[C@H](O)[C@H](N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
C[C@@H](O)[C@@H](N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
O[C@@H](CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
O[C@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
O[C@H](CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
C[C@H](O)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
O[C@@H](CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
CCCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
CCC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)C(C)=C)N2 |TLB:11:10:20:6.7,THB:2:4:20:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(\C=C/I)cc1)N2 |TLB:11:10:20:6.7,THB:2:4:20:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(\C=C\I)cc1)N2 |TLB:11:10:20:6.7,THB:2:4:20:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(\C=C/C)cc1)N2C |TLB:11:10:20:6.7,THB:21:20:4.10.9:6.7,2:4:20:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(\C=C\C)cc1)N2C |TLB:11:10:20:6.7,THB:21:20:4.10.9:6.7,2:4:20:6.7|
CCC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(C=C)cc1)N2 |TLB:11:10:19:6.7,THB:2:4:19:6.7|
Clc1ccc(cc1)C(OCCC1CC2CCC(C1)N2Cc1ccccc1)c1ccccc1 |TLB:10:11:18:14.15|
Oc1cccc(CN2C3CCC2CC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)C3)c1 |THB:14:13:7:9.10|
Clc1ccc(cc1)C(OCCC1CC2CCC(C1)N2CCCc1ccccc1)c1ccccc1 |TLB:10:11:18:14.15|
Clc1ccc(cc1)C(OCCC1CC2CCC(C1)N2Cc1ccccc1)c1ccc(Cl)cc1 |TLB:10:11:18:14.15|
CN1C2CCC1CC(CCOC(c1ccccc1)c1ccc(Cl)cc1)C2 |THB:8:7:1:3.4|
Clc1ccc(cc1)C(OCCC1CC2CCC(C1)N2CCCc1ccccc1)c1ccc(Cl)cc1 |TLB:10:11:18:14.15|
[#6](-[#8]-[#6](-c1ccccc1)-c1ccccc1)\[#6]=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccccc1 |TLB:15:16:23:19.20,THB:24:23:16.17.22:19.20|
Fc1ccc(cc1)-[#6](-[#8]-[#6]\[#6]=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccccc1)-c1ccc(F)cc1 |TLB:10:11:18:14.15|
C(CC1CC2CCC(C1)N2Cc1ccccc1)OC(c1ccccc1)c1ccccc1 |TLB:10:9:5.6:3.8.2,1:2:9:5.6|
Oc1ccc(CN2C3CCC2CC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)C3)cc1 |THB:13:12:6:8.9|
[#6](-[#6]-[#7]-1-[#6]-2-[#6]-[#6]-[#6]-1-[#6]\[#6](-[#6]-2)=[#6]/[#8]-[#6](-c1ccccc1)-c1ccccc1)-[#6]-c1ccccc1 |THB:10:8:2:4.5|
Fc1ccc(cc1)C(OCCC1CC2CCC(C1)N2Cc1ccccc1)c1ccc(F)cc1 |TLB:10:11:18:14.15|
CN1C2CCC1CC(CCOC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2 |THB:8:7:1:3.4|
Fc1ccc(cc1)-[#6](-[#8]-[#6]\[#6]=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-[#6]-c1ccccc1)-c1ccc(F)cc1 |TLB:10:11:18:14.15|
CN1C2CCC1CC(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)C2 |THB:8:7:1:3.4|
OC1CCCCC1CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
COc1ccc2[C@H](O)[C@H](CN3CCN(CCOC(c4ccc(F)cc4)c4ccc(F)cc4)CC3)CCc2c1
Brc1ccc(cc1)C(=O)CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
O=C1CCCC1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
Fc1ccc(cc1)C(OCCN1CCN(CCC(=O)c2ccco2)CC1)c1ccc(F)cc1
COc1ccc2[C@H](O)[C@H](CN3CCN(CCOC(c4ccccc4)c4ccccc4)CC3)CCc2c1
OC(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccc(Br)cc1
COc1ccc2C=C(CN3CCN(CCOC(c4ccc(F)cc4)c4ccc(F)cc4)CC3)CCc2c1 |t:6|
OC1CCCCCC1CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
Fc1ccc(cc1)C(OCCN1CCN(CC2CCCCCC2=O)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(CC2CCCCC2=O)CC1)c1ccc(F)cc1
COc1ccc2[C@@H](O)[C@H](CN3CCN(CCOC(c4ccc(F)cc4)c4ccc(F)cc4)CC3)CCc2c1
Fc1ccc(cc1)C(OCCN1CCN(CCC(=O)c2cccs2)CC1)c1ccc(F)cc1
OC1CCCC1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
C(CN1CCN(CC2=Cc3ccccc3CC2)CC1)OC(c1ccccc1)c1ccccc1 |t:7|
Fc1ccc(cc1)C(OCCN1CCN(CC2CCc3ccccc3C2=O)CC1)c1ccc(F)cc1
O=C(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1cccs1
O=C1C(CN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)CCc2ccccc12
O[C@H]1[C@H](CN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)CCc2ccccc12
O=C1CCCCCC1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
OC(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccco1
COc1ccc2C(=O)C(CN3CCN(CCOC(c4ccc(F)cc4)c4ccc(F)cc4)CC3)CCc2c1
O=C1CCCCC1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
OC(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Br)cc1
Fc1cccc(c1)C(=O)CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
COc1ccc2C(=O)C(CN3CCN(CCOC(c4ccccc4)c4ccccc4)CC3)CCc2c1
O=C(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccco1
COc1ccc2[C@@H](O)[C@H](CN3CCN(CCOC(c4ccccc4)c4ccccc4)CC3)CCc2c1
OC1CCCCCC1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
OC(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1cccs1
Fc1ccc(cc1)C(OCCN1CCN(CC2CCCC2=O)CC1)c1ccc(F)cc1
OC(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1cccs1
OC(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccco1
O[C@@H]1[C@H](CN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CCc2ccccc12
COc1ccc2C=C(CN3CCN(CCOC(c4ccccc4)c4ccccc4)CC3)CCc2c1 |t:6|
O[C@H]1[C@H](CN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CCc2ccccc12
OC(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1cccc(F)c1
OC1CCCCC1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
O[C@@H]1[C@H](CN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)CCc2ccccc12
Fc1ccc(cc1)C(OCCN1CCN(CCC(=O)c2cccc(F)c2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(CCC(=O)c2ccc(Br)cc2)CC1)c1ccc(F)cc1
OC(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1cccc(F)c1
OC1CCCC1CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
O=C1CN(CN2CCN(CC2)c2cccc3ccccc23)C(=O)C2CCCN12
Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)c1ccc(F)cc1
Cc1ccc(CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc(I)cc2)CC1)c1ccc(F)cc1
COc1cccc(CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1
COc1ccc(CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc(cc2)C#N)CC1)c1ccc(F)cc1
Ic1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
COc1ccccc1CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
Fc1ccc(CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc(Br)cc2)CC1)c1ccc(F)cc1
[O-][N+](=O)c1ccc(CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
FC(F)(F)c1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
N#Cc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
COc1ccc(cc1)[C@]1(O)OCC(C)(C)N[C@H]1C |r|
C[C@H]1NC(C)(C)CO[C@]1(O)c1cccc(Cl)c1 |r|
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccc(cc1)-c1ccccc1 |r|
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(c1)-c1cccc2ccccc12 |r|
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(c1)-c1ccc2ccccc2c1 |r|
CC[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 |r|
CC1NC(C)(C)COC1(O)c1ccccn1
CC1NC(C)(C)COC1(O)c1cccnc1
O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2ccc(F)cc2s1
Cc1cccc2sc(cc12)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
COc1cccc2sc(cc12)C1CCN(C[C@H](O)COc2cccc3[nH]c(C)cc23)CC1
O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2c(F)cccc2s1
O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2ccc(Cl)cc2s1
O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2cc(F)ccc2s1
Cc1c(sc2ccccc12)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2ccccc2s1
O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2cccc(O)c2s1
Cc1cc2c(OC[C@@H](O)CN3CCC(CC3)c3cc4ccc(F)cc4s3)cccc2[nH]1
Cc1ccc2cc(sc2c1)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
Cc1cc2c(OC[C@@H](O)CN3CCC(CC3)c3cc4cc(Cl)ccc4s3)cccc2[nH]1
COc1cccc2cc(sc12)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
COc1ccc2cc(sc2c1)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
Cc1cc2c(OC[C@@H](O)CN3CCC(CC3)c3cc4c(C)cccc4s3)cccc2[nH]1
O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2c(Cl)cccc2s1
Cc1cc2c(OC[C@@H](O)CN3CCC(CC3)c3cc4cc(F)ccc4s3)cccc2[nH]1
Cc1cc2c(OC[C@@H](O)CN3CCC(CC3)c3cc4c(F)cccc4s3)cccc2[nH]1
O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2cc(Cl)ccc2s1
COc1cccc2sc(cc12)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
Cc1cc2c(OC[C@@H](O)CN3CCC(CC3)c3cc4c(C)cc(C)cc4s3)cccc2[nH]1
CC(N)Cc1ccc2ccccc2c1
NCCc1c[nH]c2ccccc12
CNCCc1c[nH]c2c1cccc2
CCNCCc1c[nH]c2ccccc12
Cn1cc(c2c1cccc2)CCN
NCCc1c[nH]c2cccc(F)c12
Cc1ccc2c(c1)c(c[nH]2)CCN
c1cc2c(cc1Cl)c(c[nH]2)CCN
NCCc1c[nH]c2ccc(Br)cc12
c1cc2c(cc1F)c(c[nH]2)CCN
COc1ccc2c(c1)c(c[nH]2)CCN
NCCc1c[nH]c2cc(F)ccc12
COc1ccc2c(c1)[nH]cc2CCN
Cc1ccc2c(CCN)c[nH]c2c1
Cc1cccc2c(CCN)c[nH]c12
NCCc1c[nH]c2c(Cl)cccc12
COc1cccc2c(CCN)c[nH]c12
CC(N)Cc1c[nH]c2ccccc12
CC(N)Cc1c[nH]c2ccc(Cl)cc12
CC(N)Cc1c[nH]c2ccc(F)cc12
CCC(N)Cc1c[nH]c2ccccc12
CC[C@H](N)Cc1c[nH]c2ccccc12 |r|
CC[C@@H](N)Cc1c[nH]c2ccccc12 |r|
CCC(N)Cc1c[nH]c2ccc(Cl)cc12
CCC(N)Cc1c[nH]c2ccc(F)cc12
COc1cccc2[nH]cc(CCN)c12
C(N(C1CNC1)C1CCCCC1)c1ccc2ccccc2c1
C(N(C1CNC1)c1ccccc1)c1ccc2ccccc2c1
Cc1ccc(cc1)N(Cc1ccc2ccccc2c1)C1CNC1
Clc1ccc(CN(C2CC2)C2CNC2)cc1Cl
C(C1CNC1)N(Cc1ccc2ccccc2c1)c1ccccc1
Clc1ccc(CN(CC2CNC2)c2ccccc2)cc1
Clc1ccc(CN(CC2CNC2)C2CCCC2)cc1Cl
Fc1ccc(CN(CC2CNC2)c2ccccc2)cc1
Cc1cccc(CN(CC2CNC2)c2ccccc2)c1
Clc1cccc(CN(CC2CNC2)c2ccccc2)c1Cl
CC(C)N(CC1CNC1)Cc1ccc(Cl)c(Cl)c1
Clc1ccc(CN(C2CNC2)C2CCCCC2)cc1
C(N(Cc1ccc2ccccc2c1)C1CNC1)c1ccccc1
Fc1ccccc1N(Cc1ccc(Cl)cc1)C1CNC1
Clc1cccc(c1)N(Cc1ccc2ccccc2c1)C1CNC1
Clc1ccccc1CN(CC1CNC1)c1ccccc1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2ccc(F)cc2s1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2ccc(Cl)cc2s1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2ccc(C)cc2s1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2ccccc2s1
C[C@@H]1C[C@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2cc(F)ccc2s1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2c(Cl)cccc2s1
COc1ccc2sc(cc2c1OC)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@@H](C)C1
COc1cccc2sc(cc12)[C@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@H](C)C1
COc1ccc2cc(sc2c1)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@@H](C)C1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2c(cccc2s1)C(F)(F)F
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2c(C)cccc2s1
C[C@H]1C[C@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2cc(F)ccc2s1
C[C@@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2cc(F)ccc2s1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2c(C)cc(C)cc2s1
COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@H](C)C1
COc1cccc2sc(cc12)[C@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@@H](C)C1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2cc(F)ccc2s1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2cc(Cl)ccc2s1
COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@@H](C)C1
O[C@H](COc1cccc2[nH]ccc12)CN1[C@H]2CC[C@@H]1C[C@H](C2)c1cc2ccccc2s1 |THB:13:14:20.19.21:16.17|
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2cccc(F)c2s1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2c(F)cccc2s1
COc1ccc2OCC3C(CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2c1 |c:29|
COc1cc2OCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:29|
COc1cc2OCC3C(CN4CCN(Cc5ccc6ccccc6c5)CC4)ON=C3c2cc1OC |c:31|
[H][C@@]12COc3cc(OC)c(OC)cc3C1=NO[C@H]2CN1CCN(C\C=C/c2ccccc2)CC1 |c:16|
C(\C=C\c1ccccc1)N1CCN(CC2ON=C3C2COc2ccccc32)CC1 |c:17|
COc1cc2OCC3C(CN4CCN(CCc5ccccc5)CC4)ON=C3c2cc1OC |c:27|
COc1cc2OCC3C(CN4CCN(Cc5csc6ccccc56)CC4)ON=C3c2cc1OC |c:30|
COc1ccc2C3=NOC(CN4CCN(C\C=C\c5ccccc5)CC4)C3COc2c1 |t:6|
COc1cc2OCC3C(CN4CCN(CCC(=O)c5ccccc5)CC4)ON=C3c2cc1OC |c:29|
COc1cc2OCC3C(CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC |c:29|
Fc1ccc2CC(CC3CNC=N3)Cc2c1 |c:11|
COc1cc2OCC3C(CN4CCN(Cc5ccccc5)CC4)ON=C3c2cc1OC |c:26|
COc1cc2OCC3C(CN4CCN(CC5=Cc6ccccc6C5)CC4)ON=C3c2cc1OC |c:30,t:15|
COc1cc2OCC3C(CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:28|
COc1cc2OCC3C(CN4CCN(Cc5cnc6ccccc6c5)CC4)ON=C3c2cc1OC |c:31|
COc1cc2OCC3C(CN4CCN(Cc5cccc6ccccc56)CC4)ON=C3c2cc1OC |c:31|
COc1cc2OCC3C(CN4CCN(Cc5ccc6ncccc6c5)CC4)ON=C3c2cc1OC |c:31|
COc1cc2OCC3C(CN4CCN(Cc5cc6ccccc6s5)CC4)ON=C3c2cc1OC |c:30|
COc1cc2OCC3C(CN4CCN(CCCc5ccccc5)CC4)ON=C3c2cc1OC |c:28|
CCC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:19:18:4.10.9:6.7,THB:11:10:18:6.7,2:4:18:6.7|
CCC(=O)C1=C(CC2CCC1N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1)c1ccc(Cl)c(Cl)c1 |t:4,THB:12:11:4.5.6:9.8,2:4:11:9.8|
CCC(=O)C1=C(CC2CCC1N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1)c1ccc(F)cc1 |t:4,THB:12:11:4.5.6:9.8,2:4:11:9.8|
COC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:22:21:4.10.9:6.7,THB:11:10:21:6.7,2:4:21:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:11:10:19:6.7,20:19:4.10.9:6.7,THB:2:4:19:6.7|
COC(=O)C1=C(CC2CCC1N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1)c1ccc2ccccc2c1 |t:4,THB:2:4:11:9.8,12:11:4.5.6:9.8|
COC(=O)C1=C(CC2CCC1N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1)c1ccc(F)cc1 |t:4,THB:12:11:4.5.6:9.8,2:4:11:9.8|
CON(C)C(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:21:20:6.12.11:8.9,THB:13:12:20:8.9,4:6:20:8.9|
COC(=O)C1=C(CC2CCC1N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1)c1ccc(Cl)c(Cl)c1 |t:4,THB:2:4:11:9.8,12:11:4.5.6:9.8|
CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(F)ccc2c1
COc1ccc2cc(ccc2c1)[C@H]1C2CCC(C2)[C@@H]1CN(C)C
CN(C)CC1C2CCC(C2)C1c1cccc2ccccc12
CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(O)ccc2c1
CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(OC)ccc2c1
CN(C)CC1C2CCC(C2)C1c1ccc2ccccc2c1
CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(F)ccc2c1
CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1
COc1cccc2sc(cc12)[C@H]1CCN(C[C@H](O)COc2cccc3[nH]c(C)cc23)[C@H](C)C1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2c(C)cccc2s1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2ccc(C)cc2s1
C[C@@H]1C[C@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2cccc(F)c2s1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2cc(Cl)ccc2s1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2ccc(F)cc2s1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2cc(F)ccc2s1
COc1cc(OC)c2cc(sc2c1)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]c(C)cc23)[C@@H](C)C1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2c(C)cc(C)cc2s1
COc1cccc2sc(cc12)[C@H]1CCN(C[C@H](O)COc2cccc3[nH]c(cc23)C(N)=O)[C@@H](C)C1
COc1cccc2sc(cc12)[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@H](O)COc1cccc2[nH]c(C)cc12 |THB:19:18:11.17.12:14.15|
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2cccc(F)c2s1
COc1cccc2sc(cc12)[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@H](O)COc1cccc2[nH]ccc12 |THB:19:18:11.17.12:14.15|
C[C@@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2cccc(F)c2s1
COc1cccc2sc(cc12)[C@H]1C[C@@H]2CC[C@H](C1)N2C[C@H](O)COc1cccc2[nH]c(cc12)C(N)=O |THB:19:18:11.17.12:14.15|
COc1cccc2sc(cc12)[C@H]1CCN(C[C@H](O)COc2cccc3oc(C)cc23)[C@@H](C)C1
COc1ccc2cc(sc2c1)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]c(C)cc23)[C@@H](C)C1
COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]c(C)cc23)[C@H](C)C1
COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3oc(C)cc23)[C@@H](C)C1
COc1cccc2sc(cc12)[C@H]1CCN(C[C@H](O)COc2cccc3oc(C)cc23)[C@H](C)C1
COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3oc(C)cc23)[C@H](C)C1
COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]c(cc23)C(N)=O)[C@@H](C)C1
COc1cccc2sc(cc12)[C@H]1C[C@@H]2CC[C@H](C1)N2C[C@H](O)COc1cccc2[nH]c(C)cc12 |THB:19:18:11.12.17:15.14|
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2c(F)cccc2s1
COc1cccc2sc(cc12)[C@H]1CCN(C[C@H](O)COc2cccc3[nH]c(cc23)C(N)=O)[C@H](C)C1
COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]c(cc23)C(N)=O)[C@H](C)C1
C[C@H]1C[C@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2cccc(F)c2s1
COc1ccc2[nH]c3c(CCN=C3C)c2c1 |c:11|
CC1=NCCc2c1[nH]c1ccccc21 |t:1|
COc1ccc2c(c1)[nH]c1c(C)nccc21
COc1ccc2c3CCNCc3[nH]c2c1
CNCCC(Oc1cccc2ccccc12)c1nccs1
CNCCC(Oc1cccc2ccccc12)c1ccc(cc1)C(F)(F)F
CNCCC(Oc1cccc2ccccc12)c1ccc(F)cc1
CNCCC(Oc1cccc2ccccc12)c1ccccc1C(F)(F)F
CNCCC(Oc1cccc2ccccc12)c1ccc(Br)cc1
CNCCC(Oc1cccc2ccccc12)c1cccc(C)c1
CNCCCOc1cccc2ccccc12
CNCCC(Oc1cccc2ccccc12)c1ccccc1C
CNCCC(Oc1cccc2ccccc12)c1cccc(Br)c1
CNCCC(Oc1cccc2ccccc12)c1ccc(OC)cc1
CNCCC(Oc1cccc2ccccc12)c1ccco1
CNCCCCOc1cccc2ccccc12
CNCCC(Oc1cccc2ccccc12)c1ccccc1
CNCCC(Oc1cccc2ccccc12)c1ccc(Cl)cc1
CNCCC(Oc1cccc2ccccc12)c1ccc(C)cc1
CNCCC(Oc1cccc2ccccc12)c1cccc(c1)C(F)(F)F
CNCCC(Oc1cccc2ccccc12)c1ccsc1
CNCCC(Oc1cccc2ccccc12)c1cccc(OC)c1
CNCCC(Oc1cccc2ccccc12)c1ccccc1OC
COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3ccc(Cl)c(Cl)c3)Oc12 |c:17|
COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3cccc4ccccc34)Oc12 |c:17|
COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3cccc4cccnc34)Oc12 |c:17|
[#6]-[#8]-[#6](=O)-[#6]-1-[#6]-2-[#6]-[#6]-[#6](-[#6]-[#6]-1-c1ccc(\[#6]=[#6](/Br)Br)cc1)-[#7]-2-[#6] |TLB:22:21:4.10.9:6.7,THB:2:4:21:6.7|
COC(=O)C1C2CCC(CC1c1ccc(\C=C/Br)cc1)N2 |THB:2:4:20:6.7|
COC(=O)C1C2CCC(CC1c1ccc(\C=C/I)cc1)N2 |THB:2:4:20:6.7|
[#6]-[#8]-[#6](=O)-[#6]-1-[#6]-2-[#6]-[#6]-[#6](-[#6]-[#6]-1-c1ccc(\[#6]=[#6](/Br)Br)cc1)-[#7]-2 |THB:2:4:21:6.7|
COC(=O)C1C2CCC(CC1c1ccc(\C=C/Br)cc1)N2C |TLB:21:20:4.10.9:6.7,THB:2:4:20:6.7|
COC(=O)C1C2CCC(CC1c1ccc(\C=C/I)cc1)N2C |TLB:21:20:6.7:9.4.10,THB:2:4:6.7:20|
COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC
COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OC\C=C\I
CCCOc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC
COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCC=C
COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCc1ccccc1
C(CN1CCN(CCc2ccc3OCOc3c2)CC1)Cc1ccccc1
COc1cccc(CCN2CCN(CCCc3ccccc3)CC2)c1
COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1
Clc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1Cl
COC(=O)[C@@H]([C@@H]1CCC[NH2+]1)c1ccc2cc(OC)ccc2c1
COC(=O)[C@H]([C@H]1CCC[NH2+]1)c1ccc2ccccc2c1
COC(=O)[C@@H]([C@H]1CCC[NH2+]1)c1ccc(Cl)cc1
COC(=O)[C@@H]([C@@H]1CCC[NH2+]1)c1ccc(C)cc1
COC(=O)[C@@H]([C@@H]1CCC[NH2+]1)c1ccccc1
COC(=O)[C@@H]([C@H]1CCC[NH2+]1)c1ccc(C)cc1
COC(=O)[C@@H]([C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1
COC(=O)[C@@H]([C@H]1CCC[NH2+]1)c1ccccc1
COC(=O)[C@@H]([C@@H]1CCC[NH2+]1)c1ccc(Br)cc1
COC(=O)C1C2CCC(CC1c1cccc(c1)-c1ccccc1)N2C |THB:2:4:23:6.7,11:10:23:6.7|
COC(=O)C1C2CCC(CC1c1cccc(I)c1)N2C |THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)C1C2CCC(CC1c1cccc(c1)-c1ccco1)N2C |THB:2:4:22:6.7,11:10:22:6.7|
COC(=O)C1C2CCC(CC1c1cccc(I)c1)N2 |THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)C1C2CCC(CC1c1cccc(c1)-c1ccsc1)N2C |THB:2:4:22:6.7,11:10:22:6.7|
C1CC2(CN1)c1ccccc1Cc1ccccc21
C[C@H]1C[C@@H](CCN1C[C@@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2occc2c1
O[C@@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2ccccc2s1
C[C@H]1C[C@@H](CCN1C[C@@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2sccc2c1
C[C@H]1C[C@@H](CCN1C[C@@H](O)COc1cccc2[nH]c(C)cc12)c1cccc2sccc12
COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5cccs5)CC4)ON=C3c2cc1OC |c:28|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccco5)CC4)ON=C3c2cc1OC |c:28|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5cccnc5)CC4)ON=C3c2cc1OC |c:29|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccccc5F)CC4)ON=C3c2cc1OC |c:29|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5cccc(F)c5)CC4)ON=C3c2cc1OC |c:30|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5cccc(F)c5)CC4)ON=C3c2cc1OC |c:29|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5cc(F)ccc5F)CC4)ON=C3c2cc1OC |c:31|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC |c:29|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5OC)CC4)ON=C3c2cc1OC |c:31|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccco5)CC4)ON=C3c2cc1OC |c:28|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccsc5)CC4)ON=C3c2cc1OC |c:28|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5cccc(F)c5F)CC4)ON=C3c2cc1OC |c:31|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccsc5)CC4)ON=C3c2cc1OC |c:28|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccc(O)cc5)CC4)ON=C3c2cc1OC |c:30|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5cccs5)CC4)ON=C3c2cc1OC |c:28|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccc(Cl)cc5)CC4)ON=C3c2cc1OC |c:29|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccccc5OC)CC4)ON=C3c2cc1OC |c:31|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccc(F)cc5)CC4)ON=C3c2cc1OC |c:30|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C/c5ccccc5)CC4)ON=C3c2cc1OC |c:28|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccc(F)cc5F)CC4)ON=C3c2cc1OC |c:31|
CNCC[C@H](Oc1cccc2cc(O)ccc12)c1cccs1
CNCC[C@H](Oc1cccc2c(O)cccc12)c1cccs1
CNCC[C@H](Oc1cccc2c(O)c(OC)ccc12)c1cccs1
CNCC[C@H](Oc1ccc(O)c2ccccc12)c1cccs1
CNCC[C@H](Oc1cccc2c(OC)c(O)ccc12)c1cccs1
CNCC[C@H](Oc1cccc2c(OS([O-])(=O)=O)c(OC)ccc12)c1cccs1
Fc1ccccc1OC(CC1CNC1)c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1Cl)C(CC1CNC1)Oc1ccccc1
Fc1ccc(OC(CC2CNC2)c2ccc(Cl)c(Cl)c2)cc1
Fc1cc(ccc1Cl)C(CC1CNC1)Oc1cccc(Cl)c1
Fc1ccccc1OC(CC1CNC1)c1ccc(Cl)c(F)c1
Fc1cccc(OC(CC2CNC2)c2ccc(Cl)c(F)c2)c1
Fc1ccc(OC(CC2CNC2)c2ccc(Cl)c(F)c2)cc1
Fc1cc(ccc1Cl)C(CC1CNC1)Oc1ccccc1
Fc1cc(ccc1Cl)C(CC1CNC1)Oc1ccccc1Cl
Cc1ccccc1OC(CC1CNC1)c1ccc(Cl)c(F)c1
Cc1cccc(OC(CC2CNC2)c2ccc(Cl)c(F)c2)c1
Cc1ccc(OC(CC2CNC2)c2ccc(Cl)c(F)c2)cc1
COc1ccccc1OCCNCCCc1c[nH]c2ccc(F)cc12
Fc1ccc2[nH]cc(CCNCCOc3cccc4OCCOc34)c2c1
C(CCc1c[nH]c2ccccc12)CNCCOc1cccc2[nH]ccc12
COc1ccc(F)cc1OCCNCCCc1c[nH]c2ccc(F)cc12
Fc1ccc2[nH]cc(CCNCCOc3cc(F)cc4CCOc34)c2c1
COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Fc1ccc2[nH]cc(CCCNCCOc3cccc4nccnc34)c2c1
Fc1ccc2[nH]cc(CCCNCCOc3cccc4[nH]ccc34)c2c1
Fc1ccc2[nH]cc(CCCNCCOc3cccc4ccoc34)c2c1
Fc1ccc2[nH]cc(CCCNCCOc3cc(F)cc4OCCOc34)c2c1
COc1ccc(F)cc1OCCNCCc1c[nH]c2ccccc12
C(CNCCOc1cccc2[nH]ccc12)Cc1c[nH]c2ccccc12
COc1ccccc1OCCNCCCCc1c[nH]c2ccccc12
Fc1ccc2[nH]cc(CCCNCCOc3cccc4OCCOc34)c2c1
Fc1cc2CCCOc2c(OCCNCCc2c[nH]c3ccccc23)c1
Fc1ccc2[nH]cc(CCCNCCOc3cccc4nc[nH]c34)c2c1
Fc1ccc2[nH]cc(CCNCCOc3cc(F)cc4CCCOc34)c2c1
Fc1ccc2[nH]cc(CCCNCCOc3cccc4CCCCc34)c2c1
Fc1ccc2[nH]cc(CCCNCCOc3cc(F)cc4ccoc34)c2c1
C(CNCCOc1cccc2ccccc12)Cc1c[nH]c2ccccc12
Fc1cc2CCOc2c(OCCNCCCc2c[nH]c3ccc(F)cc23)c1
C(CNCCOc1cccc2nc[nH]c12)Cc1c[nH]c2ccccc12
Fc1ccc2[nH]cc(CCCNCCOc3cccc4ncccc34)c2c1
Fc1ccc2[nH]cc(CCCNCCOc3cccc4CCOc34)c2c1
Fc1cc2CCCOc2c(OCCNCCCc2c[nH]c3ccc(F)cc23)c1
Fc1ccc2[nH]cc(CCCNCCOc3cc(Cl)cc4[nH]cnc34)c2c1
COc1ccc(F)cc1OCCNCCc1c[nH]c2ccc(F)cc12
C(CNCCOc1cccc2cccnc12)Cc1c[nH]c2ccccc12
C[C@H]1NCCCN(c2ccc3ccccc3c2)C1=O
C[C@@H]1NCCCN(c2ccc3ccccc3c2)C1=O
CCC1NCCCN(c2ccc3ccccc3c2)C1=O
CC1NCCCN(c2ccc3ccccc3c2)C1=O
CCC1NCCCN(c2ccc(Cl)c(Cl)c2)C1=O
CC1NCCCN(c2ccc(Cl)c(Cl)c2)C1=O
CN1CCCN(c2ccc(Cl)c(Cl)c2)C(=O)C1
CC1CCN(c2ccc(Cl)c(Cl)c2)C(=O)CN1
CC1CCNCC(=O)N1c1ccc(Cl)c(Cl)c1
FC1(F)CNCC(=O)N(C1)c1ccc(Cl)c(Cl)c1
CC1CNCC(=O)N(C1)c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1Cl)N1CCCNCC1=O
Clc1ccc(cc1Cl)N1CC2(CC2)CNCC1=O
N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4nsnc4c3)c2c1
N#Cc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4[nH]ccc4c3)c2c1
COc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Clc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
COc1cc(ccc1C#N)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
NC(=O)C1Cc2cc(ccc2O1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Oc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
c1cc2c(cc1C#N)c(c[nH]2)CCCCN3CCN(CC3)c4ccc5c(c4)cc(o5)C(=O)N
Oc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
COc1cc(ccc1N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1)C#N
N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCCc4c3)c2c1
COc1ccc(cc1OC)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
NC(=O)c1cc2c(cccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
O=c1ccc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
NC(=O)c1cc2ccc(cc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
O=NCc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
N#Cc1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(F)cc23)CC1
COc1ccc(Cl)cc1N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
COc1cccc(N2CCN(CCCCc3c[nH]c4ccc(cc34)C#N)CC2)c1C#N
Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4occc4c3)c2c1
N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3cccc4nsnc34)c2c1
N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(C#N)c(c3)C#N)c2c1
N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccccc3)c2c1
O=Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4oc(=O)ccc4c3)c2c1
C(CCc1c[nH]c2ccccc12)CN1CCN(CC1)c1ccc2OCCOc2c1
COc1ccccc1N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
NC(=O)c1ccccc1N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
NC(=O)c1c(ccc2occc12)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Fc1cc(cc(F)c1C#N)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3c(cccc3C#N)C#N)c2c1
COC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCc4c3)c2c1
Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(cc3)C#N)c2c1
NC(=O)c1cc2cccc(N3CCN(CCCCc4c[nH]c5ccc(cc45)C#N)CC3)c2o1
N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCOc4c3)c2c1
NC(=O)c1cc2cc(ccc2s1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
NC(=O)c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Fc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Oc1ccc(cc1C#N)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
CCOCCOCCOc1cccc(N2CCN(CCCCc3c[nH]c4ccc(cc34)C#N)CC2)c1C#N
Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCOc4c3)c2c1
Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4oc(cc4c3)C#N)c2c1
NC(=O)c1cc2cc(ccc2[nH]1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
COc1ccc(F)c(CC2CCN(CC2)[C@H]2CC[C@]3(CC2)OC(=O)c2c3ccc3OCCOc23)c1 |wU:15.15,18.22,(9.29,1.16,;7.96,.39,;7.75,-1.15,;8.98,-2.08,;8.77,-3.61,;7.34,-4.2,;7.13,-5.72,;6.13,-3.25,;4.71,-3.83,;3.48,-2.9,;2.05,-3.48,;.85,-2.53,;1.06,-1,;2.48,-.43,;3.69,-1.36,;-.16,-.05,;-1.59,-.66,;-2.81,.27,;-2.61,1.81,;-1.18,2.39,;.03,1.46,;-2.56,3.35,;-4.03,3.86,;-4.86,5.17,;-4.97,2.65,;-4.08,1.37,;-4.78,-.01,;-6.31,-.12,;-7.17,1.13,;-8.71,1.04,;-9.56,2.32,;-8.9,3.7,;-7.36,3.79,;-6.5,2.53,;6.33,-1.73,)|
COc1cc2[nH]c(=O)c3[C@H](CCCc3c2cc1OC)N1CCC(Cc2cc(F)ccc2F)CC1
FC(F)(F)c1ccccc1CC1CCN(CC1)[C@H]1CC[C@]2(CC1)OC(=O)c1c3OCOc3ccc21 |wU:17.18,20.25,(5.38,-5.68,;6.8,-5.08,;8.02,-6.03,;5.38,-4.49,;7.02,-3.55,;8.44,-2.97,;8.65,-1.46,;7.43,-.49,;6.01,-1.1,;5.79,-2.62,;4.37,-3.2,;3.16,-2.24,;3.36,-.73,;2.15,.23,;.71,-.36,;.52,-1.9,;1.74,-2.83,;-.51,.58,;-1.94,,;-3.15,.93,;-2.96,2.45,;-1.53,3.06,;-.3,2.1,;-2.92,4.01,;-4.38,4.52,;-5.21,5.81,;-5.32,3.29,;-6.84,3.18,;-7.98,4.24,;-9.31,3.52,;-9.06,2,;-7.51,1.8,;-6.66,.53,;-5.12,.63,;-4.43,2.02,)|
Clc1ccccc1CC1CCN(CC1)[C@H]1CC[C@]2(CC1)OC(=O)c1c3OCOc3ccc21 |wU:14.15,17.22,(7.38,-5.58,;7.59,-4.06,;9.01,-3.47,;9.22,-1.94,;8,-1,;6.57,-1.59,;6.37,-3.11,;4.95,-3.69,;3.73,-2.76,;3.94,-1.22,;2.73,-.29,;1.31,-.86,;1.1,-2.39,;2.31,-3.34,;.08,.07,;-1.34,-.52,;-2.56,.41,;-2.35,1.95,;-.93,2.54,;.28,1.6,;-2.32,3.5,;-3.78,4,;-4.62,5.31,;-4.71,2.79,;-6.25,2.67,;-7.36,3.73,;-8.72,3,;-8.46,1.49,;-6.92,1.27,;-6.06,.02,;-4.52,.13,;-3.84,1.51,)|
Ic1ccccc1CN1CCN(CC1)[C@H]1CC[C@]2(CC1)OC(=O)c1c3OCOc3ccc21 |wU:14.15,17.22,(7.58,-5.6,;7.58,-4.06,;9,-3.46,;9.21,-1.96,;7.98,-1,;6.57,-1.59,;6.37,-3.12,;4.94,-3.69,;3.73,-2.75,;2.31,-3.33,;1.1,-2.4,;1.31,-.85,;2.71,-.28,;3.95,-1.22,;.07,.09,;-1.34,-.51,;-2.56,.42,;-2.35,1.95,;-.93,2.54,;.28,1.6,;-2.33,3.51,;-3.8,4.01,;-4.63,5.31,;-4.73,2.77,;-6.26,2.66,;-7.38,3.73,;-8.74,3.01,;-8.46,1.49,;-6.92,1.27,;-6.06,.02,;-4.52,.12,;-3.85,1.51,)|
Ic1ccccc1CN1CCN(CC1)[C@H]1CC[C@]2(CC1)OC(=O)c1c2ccc2OCCOc12 |wU:14.15,17.22,(7.84,-5.69,;7.87,-4.15,;9.29,-3.57,;9.49,-2.05,;8.26,-1.1,;6.84,-1.69,;6.64,-3.22,;5.22,-3.78,;3.99,-2.84,;2.57,-3.43,;1.36,-2.49,;1.57,-.96,;2.99,-.37,;4.2,-1.33,;.35,-.02,;-1.07,-.61,;-2.3,.33,;-2.09,1.86,;-.67,2.45,;.54,1.52,;-2.05,3.4,;-3.51,3.92,;-4.35,5.2,;-4.45,2.68,;-3.57,1.41,;-4.26,.02,;-5.8,-.08,;-6.66,1.19,;-8.2,1.07,;-9.05,2.35,;-8.39,3.75,;-6.83,3.85,;-5.98,2.56,)|
COc1ccccc1CC1CCN(CC1)[C@H]1CC[C@]2(CC1)OC(=O)c1c3OCOc3ccc21 |wU:15.16,18.23,(5.77,-5.97,;7.19,-5.39,;7.41,-3.88,;8.84,-3.29,;9.05,-1.76,;7.82,-.82,;6.4,-1.41,;6.19,-2.94,;4.76,-3.51,;3.54,-2.57,;2.12,-3.15,;.92,-2.2,;1.12,-.68,;2.55,-.1,;3.76,-1.03,;-.09,.26,;-1.52,-.33,;-2.74,.6,;-2.54,2.14,;-1.12,2.73,;.1,1.8,;-2.51,3.68,;-3.96,4.19,;-4.8,5.49,;-4.89,2.98,;-6.43,2.84,;-7.55,3.92,;-8.9,3.19,;-8.62,1.68,;-7.1,1.46,;-6.24,.21,;-4.7,.3,;-4.01,1.7,)|
Fc1ccccc1CC1CCN(CC1)[C@H]1CC[C@]2(CC1)OC(=O)c1c3OCOc3ccc21 |wU:14.15,17.22,(7.38,-5.58,;7.59,-4.06,;9.01,-3.47,;9.22,-1.94,;8,-1,;6.57,-1.59,;6.37,-3.11,;4.95,-3.69,;3.73,-2.76,;3.94,-1.22,;2.73,-.29,;1.31,-.86,;1.1,-2.39,;2.31,-3.34,;.08,.07,;-1.34,-.52,;-2.56,.41,;-2.35,1.95,;-.93,2.54,;.28,1.6,;-2.32,3.5,;-3.78,4,;-4.62,5.31,;-4.71,2.79,;-6.25,2.67,;-7.36,3.73,;-8.72,3,;-8.46,1.49,;-6.92,1.27,;-6.06,.02,;-4.52,.13,;-3.84,1.51,)|
Clc1ccccc1CC1CCN(CC1)[C@H]1CC[C@]2(CC1)OC(=O)c1c2ccc2OCCOc12 |wU:14.15,17.22,(7.84,-5.69,;7.87,-4.15,;9.29,-3.57,;9.49,-2.05,;8.26,-1.1,;6.84,-1.69,;6.64,-3.22,;5.22,-3.78,;3.99,-2.84,;4.2,-1.33,;2.99,-.37,;1.57,-.96,;1.36,-2.49,;2.57,-3.43,;.35,-.02,;-1.07,-.61,;-2.3,.33,;-2.09,1.86,;-.67,2.45,;.54,1.51,;-2.05,3.4,;-3.51,3.92,;-4.35,5.2,;-4.45,2.68,;-3.57,1.41,;-4.26,.02,;-5.8,-.08,;-6.66,1.19,;-8.2,1.07,;-9.05,2.35,;-8.39,3.75,;-6.83,3.85,;-5.98,2.56,)|
Brc1ccccc1CC1CCN(CC1)[C@H]1CC[C@]2(CC1)OC(=O)c1c3OCOc3ccc21 |wU:14.15,17.22,(7.38,-5.58,;7.59,-4.06,;9.01,-3.47,;9.22,-1.94,;8,-1,;6.57,-1.59,;6.37,-3.11,;4.95,-3.69,;3.73,-2.76,;3.94,-1.22,;2.73,-.29,;1.31,-.86,;1.1,-2.39,;2.31,-3.34,;.08,.07,;-1.34,-.52,;-2.56,.41,;-2.35,1.95,;-.93,2.54,;.28,1.6,;-2.32,3.5,;-3.78,4,;-4.62,5.31,;-4.71,2.79,;-6.25,2.67,;-7.36,3.73,;-8.72,3,;-8.46,1.49,;-6.92,1.27,;-6.06,.02,;-4.52,.13,;-3.84,1.51,)|
Ic1ccccc1CN1CCN(CC1)[C@H]1CCCc2c1c(=O)[nH]c1cc3OCOc3cc21
COc1ccc(F)c(CC2CCN(CC2)[C@H]2CC[C@]3(CC2)OC(=O)c2c4OCOc4ccc32)c1 |wU:15.15,18.22,(9.16,.88,;7.67,.48,;7.46,-1.05,;8.7,-1.99,;8.49,-3.52,;7.06,-4.1,;6.85,-5.63,;5.85,-3.16,;4.43,-3.74,;3.2,-2.8,;1.78,-3.38,;.57,-2.43,;.77,-.91,;2.19,-.33,;3.41,-1.27,;-.44,.02,;-1.87,-.56,;-3.09,.37,;-2.89,1.9,;-1.47,2.49,;-.25,1.55,;-2.84,3.45,;-4.31,3.96,;-5.15,5.26,;-5.24,2.74,;-6.78,2.63,;-7.87,3.68,;-9.22,2.96,;-8.97,1.45,;-7.45,1.24,;-6.59,-.03,;-5.03,.09,;-4.35,1.46,;6.05,-1.64,)|
Fc1ccc(F)c(CC2CCN(CC2)[C@H]2CC[C@]3(CC2)OC(=O)c2c3ccc3OCCOc23)c1 |wU:14.14,17.21,(8.24,.41,;8.03,-1.1,;9.25,-2.06,;9.04,-3.58,;7.62,-4.16,;7.41,-5.7,;6.4,-3.23,;4.98,-3.8,;3.77,-2.86,;2.34,-3.44,;1.13,-2.51,;1.33,-.96,;2.75,-.38,;3.98,-1.34,;.1,-.03,;-1.32,-.61,;-2.54,.32,;-2.33,1.84,;-.91,2.44,;.31,1.49,;-2.3,3.4,;-3.76,3.91,;-4.6,5.2,;-4.69,2.68,;-3.82,1.39,;-4.5,.02,;-6.04,-.1,;-6.91,1.18,;-8.44,1.07,;-9.31,2.35,;-8.63,3.73,;-7.09,3.84,;-6.23,2.56,;6.61,-1.71,)|
Fc1ccc(F)c(CC2CCN(CC2)[C@H]2CCCc3c2c(=O)[nH]c2cc4OCOc4cc32)c1
COc1ccccc1CC1CCN(CC1)[C@H]1CC[C@]2(CC1)OC(=O)c1c2ccc2OCCOc12 |wU:15.16,18.23,(6.32,-6.27,;7.67,-5.5,;7.69,-3.96,;9.11,-3.37,;9.31,-1.87,;8.07,-.9,;6.67,-1.5,;6.46,-3.02,;5.05,-3.61,;3.82,-2.65,;2.39,-3.23,;1.18,-2.3,;1.38,-.76,;2.8,-.17,;4.03,-1.13,;.15,.18,;-1.28,-.4,;-2.49,.53,;-2.29,2.05,;-.86,2.64,;.36,1.7,;-2.24,3.59,;-3.71,4.13,;-4.57,5.41,;-4.65,2.87,;-3.78,1.59,;-4.45,.23,;-6,.11,;-6.88,1.38,;-8.38,1.26,;-9.24,2.55,;-8.57,3.92,;-7.03,4.04,;-6.21,2.76,)|
Fc1ccc(F)c(CC2CCN(CC2)[C@H]2CC[C@]3(CC2)OC(=O)c2c4OCOc4ccc32)c1 |wU:14.14,17.21,(7.95,.5,;7.74,-1.01,;8.97,-1.97,;8.76,-3.48,;7.34,-4.06,;7.12,-5.6,;6.11,-3.13,;4.69,-3.71,;3.47,-2.76,;2.05,-3.34,;.85,-2.41,;1.05,-.87,;2.47,-.29,;3.69,-1.24,;-.16,.06,;-1.6,-.52,;-2.81,.41,;-2.6,1.95,;-1.19,2.53,;.03,1.6,;-2.58,3.49,;-4.02,4,;-4.86,5.28,;-4.96,2.77,;-6.49,2.65,;-7.59,3.72,;-8.94,3,;-8.68,1.48,;-7.17,1.27,;-6.31,-.01,;-4.77,.11,;-4.08,1.48,;6.32,-1.62,)|
Fc1ccccc1CC1CCN(CC1)[C@H]1CC[C@]2(CC1)OC(=O)c1c2ccc2OCCOc12 |wU:14.15,17.22,(7.84,-5.69,;7.84,-4.15,;9.26,-3.57,;9.47,-2.05,;8.26,-1.1,;6.84,-1.69,;6.63,-3.22,;5.22,-3.78,;3.99,-2.84,;4.2,-1.33,;2.99,-.37,;1.57,-.96,;1.38,-2.49,;2.57,-3.43,;.33,-.02,;-1.09,-.61,;-2.3,.33,;-2.09,1.86,;-.67,2.45,;.56,1.51,;-2.05,3.4,;-3.51,3.92,;-4.35,5.2,;-4.45,2.68,;-3.58,1.41,;-4.26,.02,;-5.78,-.08,;-6.66,1.19,;-8.2,1.07,;-9.05,2.35,;-8.39,3.75,;-6.83,3.85,;-6.01,2.56,)|
Fc1ccc(Br)c(CC2CCN(CC2)[C@H]2CC[C@]3(CC2)OC(=O)c2c4OCOc4ccc32)c1 |wU:14.14,17.21,(7.95,.5,;7.74,-1.01,;8.97,-1.97,;8.76,-3.48,;7.34,-4.06,;7.12,-5.6,;6.11,-3.13,;4.69,-3.71,;3.47,-2.76,;2.05,-3.34,;.85,-2.41,;1.05,-.87,;2.47,-.29,;3.69,-1.24,;-.16,.06,;-1.6,-.52,;-2.81,.41,;-2.6,1.95,;-1.19,2.53,;.03,1.6,;-2.58,3.49,;-4.02,4,;-4.86,5.28,;-4.96,2.77,;-6.49,2.65,;-7.59,3.72,;-8.94,3,;-8.68,1.48,;-7.17,1.27,;-6.31,-.01,;-4.77,.11,;-4.08,1.48,;6.32,-1.62,)|
FC(F)(F)c1ccccc1CC1CCN(CC1)[C@H]1CC[C@]2(CC1)OC(=O)c1c2ccc2OCCOc12 |wU:17.18,20.25,(5.85,-5.9,;7.19,-5.14,;8.68,-5.53,;7.19,-6.68,;7.19,-3.61,;8.61,-3.02,;8.84,-1.49,;7.61,-.56,;6.19,-1.15,;5.99,-2.66,;4.55,-3.24,;3.34,-2.31,;3.54,-.78,;2.34,.18,;.92,-.4,;.71,-1.94,;1.91,-2.88,;-.3,.53,;-1.73,-.05,;-2.95,.86,;-2.75,2.39,;-1.32,2.98,;-.12,2.05,;-2.72,3.96,;-4.17,4.48,;-5,5.75,;-5.11,3.24,;-4.22,1.96,;-4.92,.58,;-6.46,.47,;-7.31,1.75,;-8.85,1.63,;-9.71,2.91,;-9.01,4.29,;-7.5,4.4,;-6.64,3.12,)|
Brc1ccccc1CC1CCN(CC1)[C@H]1CC[C@]2(CC1)OC(=O)c1c2ccc2OCCOc12 |wU:14.15,17.22,(7.84,-5.7,;7.86,-4.16,;9.29,-3.57,;9.49,-2.05,;8.26,-1.1,;6.84,-1.68,;6.64,-3.2,;5.22,-3.78,;3.99,-2.85,;4.2,-1.33,;2.99,-.37,;1.57,-.96,;1.36,-2.49,;2.57,-3.43,;.35,-.03,;-1.07,-.61,;-2.3,.32,;-2.09,1.86,;-.67,2.44,;.54,1.51,;-2.05,3.4,;-3.51,3.92,;-4.35,5.2,;-4.44,2.7,;-3.57,1.42,;-4.26,.02,;-5.8,-.05,;-6.66,1.18,;-8.2,1.09,;-9.05,2.35,;-8.38,3.75,;-6.83,3.85,;-5.98,2.58,)|
COc1ccc(Br)c(CC2CCN(CC2)[C@H]2CC[C@]3(CC2)OC(=O)c2c4OCOc4ccc32)c1 |wU:15.15,18.22,(9.17,.89,;7.68,.48,;7.47,-1.05,;8.7,-1.99,;8.49,-3.52,;7.07,-4.11,;6.87,-5.62,;5.86,-3.16,;4.44,-3.73,;3.2,-2.8,;1.78,-3.38,;.57,-2.43,;.78,-.91,;2.2,-.33,;3.41,-1.27,;-.44,.02,;-1.87,-.56,;-3.09,.37,;-2.88,1.91,;-1.46,2.5,;-.25,1.56,;-2.84,3.45,;-4.31,3.97,;-5.15,5.26,;-5.24,2.74,;-6.78,2.63,;-7.9,3.69,;-9.25,2.96,;-8.97,1.45,;-7.46,1.24,;-6.59,-.02,;-5.05,.09,;-4.36,1.47,;6.05,-1.63,)|
Fc1ccc(Br)c(CC2CCN(CC2)[C@H]2CC[C@]3(CC2)OC(=O)c2c3ccc3OCCOc23)c1 |wU:14.14,17.21,(8.23,.41,;8.02,-1.12,;9.26,-2.06,;9.05,-3.58,;7.62,-4.18,;7.41,-5.68,;6.41,-3.23,;4.98,-3.81,;3.77,-2.87,;2.34,-3.44,;1.13,-2.51,;1.32,-.97,;2.74,-.38,;3.98,-1.34,;.1,-.03,;-1.32,-.63,;-2.54,.3,;-2.35,1.86,;-.93,2.43,;.31,1.49,;-2.3,3.39,;-3.78,3.89,;-4.62,5.18,;-4.71,2.68,;-3.82,1.42,;-4.52,.04,;-6.04,-.08,;-6.93,1.17,;-8.45,1.09,;-9.3,2.36,;-8.62,3.74,;-7.09,3.82,;-6.25,2.56,;6.62,-1.69,)|
Clc1ccc(Cl)c(CC2CCN(CC2)[C@H]2CC[C@]3(CC2)OC(=O)c2c4OCOc4ccc32)c1 |wU:14.14,17.21,(7.95,.5,;7.74,-1.01,;8.97,-1.96,;8.76,-3.49,;7.34,-4.06,;7.13,-5.59,;6.12,-3.13,;4.7,-3.69,;3.48,-2.76,;2.06,-3.35,;.85,-2.41,;1.06,-.88,;2.48,-.29,;3.69,-1.24,;-.16,.05,;-1.58,-.52,;-2.81,.41,;-2.6,1.95,;-1.18,2.53,;.03,1.6,;-2.56,3.47,;-4.02,4,;-4.86,5.28,;-4.95,2.76,;-6.49,2.65,;-7.61,3.7,;-8.94,2.98,;-8.68,1.47,;-7.16,1.27,;-6.3,,;-4.77,.11,;-4.08,1.49,;6.32,-1.59,)|
Clc1ccc(cc1Cl)C1=CC2CCC(C1)N2CCOc1cccc2[nH]ccc12 |t:9|
C(CN1C2CCC1C=C(C2)c1cc2ccccc2[nH]1)Oc1cccc2ncccc12 |c:8|
Cn1ccc2c(OCCN3C4CCC3C=C(C4)c3ccc4ccccc4c3)cccc12 |c:15|
C(CN1C2CCC1C=C(C2)c1csc2ccccc12)Oc1cccc2[nH]ccc12 |c:8|
C(CN1C2CCC1C=C(C2)c1c[nH]c2ccccc12)Oc1cccc2[nH]ccc12 |c:8|
C(CN1C2CCC1C=C(C2)c1ccc2ccccc2c1)Oc1cccc2cccnc12 |c:8|
C(COc1cccc2[nH]ccc12)CN1C2CCC1C=C(C2)c1ccc2ccccc2c1 |c:21|
C(CN1C2CCC1C=C(C2)c1ccc2ccccc2c1)Oc1cccc2[nH]ccc12 |c:8|
C(CN1C2CCC1C=C(C2)c1ccc2ccccc2c1)Oc1cccc2ncccc12 |c:8|
O[C@H](COc1cccc2[nH]ccc12)CN1C2CCC1C=C(C2)c1ccc(Cl)c(Cl)c1 |c:22|
C(COc1cccc2[nH]ccc12)CN1C2CCC1C=C(C2)c1c[nH]c2ccccc12 |c:21|
O[C@H](COc1cccc2[nH]ccc12)CN1C2CCC1C=C(C2)c1ccc2ccccc2c1 |c:22|
Clc1ccc(cc1Cl)C1=CC2CCC(C1)N2CCCOc1cccc2[nH]ccc12 |t:9|
C(CN1C2CCC1C=C(C2)c1ccc2ccccc2c1)Oc1cccc2CCCc12 |c:8|
CN1CC(c2ccc3sccc3c2)c2ccc(NCCO)cc2C1
CN(C)Cc1ccccc1Oc1ccc(I)cc1N
CN(C)Cc1ccccc1Cc1ccc(I)cc1N
CN(C)Cc1ccccc1Oc1ccc(I)cc1CO
CSc1ccc(cc1)[C@H]1CN2CCC[C@H]2c2ccccc12
CN1C[C@H](c2ccc3sccc3c2)c2ccc(cc2C1)N1CCOCC1 |r|
CN1CC(c2ccc3sccc3c2)c2ccc(cc2C1)C#N
CN1CC(c2ccc3sccc3c2)c2ccc(F)cc2C1
CN1CC(c2ccc3ncccc3c2)c2ccccc2C1
CN1CC(c2ccc3ccnn3c2)c2ccccc2C1
CN1CC(c2ccc3ncsc3c2)c2ccccc2C1
CN1CC(c2ccccc2C1)c1cccc2ccsc12
CN1CC(c2ccc3ccsc3c2)c2ccc(cc2C1)N1CCOCC1
CN1CC(c2ccc3sccc3c2)c2ccc(CN)cc2C1
CN1CC(c2ccc3sccc3c2)c2ccc(O)cc2C1
COc1ccc2C(CN(C)Cc2c1)c1ccc2sccc2c1
CN1CC(c2ccc3sccc3c2)c2ccc(C)cc2C1
CN1CC(c2ccc3ccsc3c2)c2ccccc2C1
CN1CC(c2ccccc2C1)c1cccc2occc12
CN1CC(c2coc3ccccc23)c2ccccc2C1
CN1CC(c2ccc(F)cc2)c2ccc(C)cc2C1
COC(=O)C(C1CCCCN1)c1ccccc1
FCCCOC(=O)C1C2CCC(CC1c1ccc(Br)cc1)N2 |TLB:14:13:21:9.10,THB:5:7:21:9.10|
CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)OCCOS(=O)(=O)c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(Br)cc1)C(=O)OCCF |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
FCCOC(=O)C1C2CCC(CC1c1ccc(Br)cc1)N2 |TLB:13:12:20:8.9,THB:4:6:20:8.9|
CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)NCCF |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
FCCOC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2 |TLB:13:12:20:8.9,THB:4:6:20:8.9|
COC(=O)C1C2CCC(CC1c1ccc(Br)cc1)N2 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
CN1C2CCC1C(C(C2)c1ccc(Br)cc1)C(=O)OCCCF |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
COC(=O)C1C2CCC(CC1c1ccc(Br)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7|
FCCCN1C2CCC1C(C(C2)c1ccc(Br)cc1)C(=O)OCCF |TLB:19:9:4:7.6,3:4:9.10.11:7.6,THB:12:10:4:7.6|
CN1C2CCC1C(C(C2)c1ccc(Br)cc1)C(=O)NCCF |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(Br)cc1)C(=O)OCCOS(=O)(=O)c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
OC1(CCN(CCCCc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
OC1(CCN(CCCOc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
OC1(CCN(CCCSc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
OC1(CC2CCC(C1)N2CCCCc1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,20:1:8:4.5,0:1:8:4.5|
OC1(CC2CCC(C1)N2CCCOc1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,20:1:8:4.5,0:1:8:4.5|
OC1(CC2CCC(C1)N2CCCSc1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,20:1:8:4.5,0:1:8:4.5|
OC1(CC2CCC(C1)N2CCCSc1cccc(F)c1)c1ccc(Cl)cc1 |TLB:20:1:8:4.5,0:1:8:4.5,9:8:4.5:2.1.7|
OC1(CC2CCC(C1)N2CCCSc1ccccc1F)c1ccc(Cl)cc1 |TLB:20:1:8:4.5,0:1:8:4.5,9:8:4.5:2.1.7|
COc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(F)cc12 |wU:14.15,wD:17.22,(-5.05,2.08,;-6.57,1.76,;-7.06,.3,;-8.58,-.03,;-9.05,-1.48,;-8.02,-2.65,;-6.52,-2.32,;-6.03,-.87,;-4.53,-.54,;-3.5,-1.72,;-1.98,-1.38,;-1.49,.07,;-2.52,1.24,;-4.04,.91,;.01,.4,;.5,1.87,;2,2.18,;3.03,1.02,;2.56,-.44,;1.06,-.75,;4.55,1.35,;5.16,2.76,;6.7,2.59,;7.03,1.09,;8.37,.33,;8.37,-1.23,;7.03,-1.99,;7.03,-3.54,;5.7,-1.23,;5.7,.33,)|
Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4OCCOc34)c2c1 |wU:11.14,wD:8.7,(7.68,-3.68,;7.68,-2.14,;9.01,-1.36,;9.01,.19,;7.68,.95,;7.35,2.47,;5.83,2.61,;5.2,1.21,;3.7,.9,;2.67,2.03,;1.15,1.72,;.69,.27,;1.71,-.9,;3.23,-.58,;-.83,-.05,;-1.3,-1.53,;-2.82,-1.83,;-3.85,-.69,;-3.36,.79,;-1.86,1.09,;-5.37,-1.01,;-5.84,-2.46,;-7.36,-2.77,;-8.39,-1.62,;-7.9,-.15,;-8.92,.98,;-8.43,2.47,;-6.91,2.77,;-5.91,1.61,;-6.4,.16,;6.34,.18,;6.34,-1.36,)|
Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)NCCOc3cccc4[nH]ccc34)c2c1 |wU:8.7,11.14,(7.29,-3.35,;7.29,-1.79,;8.62,-1.03,;8.62,.53,;7.29,1.29,;6.96,2.81,;5.43,2.97,;4.81,1.55,;3.29,1.24,;2.26,2.38,;.76,2.06,;.27,.6,;1.32,-.56,;2.82,-.24,;-1.23,.27,;-1.72,-1.19,;-3.22,-1.5,;-4.25,-.36,;-5.77,-.69,;-5.77,-2.23,;-7.11,-3,;-8.44,-2.23,;-8.47,-.69,;-9.59,.35,;-8.98,1.77,;-7.42,1.58,;-7.12,.09,;5.95,.53,;5.95,-1.03,)|
COc1ccccc1N1CCN(CC1)[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(F)cc12 |wU:14.15,17.22,(-5.05,2.08,;-6.57,1.76,;-7.06,.3,;-8.58,-.03,;-9.05,-1.48,;-8.02,-2.65,;-6.52,-2.32,;-6.03,-.87,;-4.53,-.54,;-3.5,-1.72,;-1.98,-1.38,;-1.51,.07,;-2.52,1.24,;-4.04,.91,;.01,.4,;.5,1.87,;2,2.18,;3.03,1.02,;2.56,-.44,;1.06,-.75,;4.55,1.35,;5.16,2.76,;6.7,2.59,;7.03,1.09,;8.37,.33,;8.37,-1.23,;7.03,-1.99,;7.03,-3.54,;5.7,-1.23,;5.7,.33,)|
COc1ccccc1OCCN[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(F)cc12 |wU:15.19,12.12,(-6.23,2.4,;-7.55,1.63,;-7.55,.09,;-8.91,-.7,;-8.91,-2.24,;-7.55,-3.01,;-6.22,-2.24,;-6.22,-.68,;-4.71,-.37,;-3.69,-1.52,;-2.17,-1.2,;-1.7,.27,;-.19,.6,;.29,2.05,;1.8,2.37,;2.83,1.21,;2.36,-.24,;.85,-.57,;4.32,1.53,;4.95,2.93,;6.46,2.78,;6.79,1.28,;8.13,.53,;8.13,-1.03,;6.79,-1.8,;6.79,-3.34,;5.46,-1.03,;5.46,.53,)|
Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)NCC3COc4ccccc4O3)c2c1 |wU:11.14,wD:8.7,(5.88,4.43,;6.21,2.92,;7.68,2.47,;8,.97,;6.87,-.05,;6.88,-1.62,;5.42,-2.08,;4.51,-.86,;2.99,-.87,;2.2,.48,;.65,.46,;-.12,-.87,;.68,-2.22,;2.22,-2.2,;-1.63,-.89,;-2.42,.44,;-3.96,.44,;-4.75,1.77,;-6.32,1.75,;-7.06,.4,;-8.61,.37,;-9.37,-.96,;-8.58,-2.29,;-7.02,-2.27,;-6.28,-.94,;-4.74,-.92,;5.41,.41,;5.09,1.89,)|
Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)NCCOc3cccc4OCCOc34)c2c1 |wU:8.7,11.14,(7.58,-3.4,;7.58,-1.87,;8.92,-1.08,;8.92,.47,;7.58,1.23,;7.26,2.74,;5.71,2.89,;5.11,1.49,;3.59,1.17,;2.56,2.31,;1.06,2,;.57,.54,;1.62,-.62,;3.12,-.29,;-.93,.21,;-1.42,-1.25,;-2.91,-1.57,;-3.94,-.41,;-5.46,-.75,;-5.46,-2.29,;-6.8,-3.06,;-8.13,-2.29,;-8.13,-.75,;-9.46,,;-9.46,1.54,;-8.13,2.31,;-6.8,1.54,;-6.82,.02,;6.25,.46,;6.25,-1.08,)|
Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)NCCOc3cccc4OCCOc34)c2c1 |wU:11.14,wD:8.7,(7.58,-3.4,;7.58,-1.87,;8.92,-1.08,;8.92,.47,;7.58,1.23,;7.26,2.74,;5.71,2.89,;5.11,1.49,;3.59,1.17,;2.56,2.31,;1.06,2,;.57,.54,;1.62,-.62,;3.12,-.29,;-.93,.21,;-1.42,-1.25,;-2.91,-1.57,;-3.94,-.41,;-5.46,-.75,;-5.46,-2.29,;-6.8,-3.06,;-8.13,-2.29,;-8.13,-.75,;-9.46,,;-9.46,1.54,;-8.13,2.31,;-6.8,1.54,;-6.82,.02,;6.25,.46,;6.25,-1.08,)|
Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4[nH]ccc34)c2c1 |r,wU:11.14,8.7,(-4.03,-2.02,;-3.69,-.51,;-2.22,-.05,;-1.89,1.44,;-3.01,2.47,;-2.99,4.01,;-4.45,4.5,;-5.37,3.27,;-6.9,3.28,;-7.66,4.62,;-9.21,4.64,;-9.98,3.31,;-9.22,1.97,;-7.69,1.96,;-11.52,3.32,;-12.3,1.99,;-13.84,2.01,;-14.59,3.34,;-13.81,4.67,;-12.29,4.67,;-16.14,3.34,;-16.9,4.68,;-18.43,4.69,;-19.22,3.36,;-18.46,2.01,;-18.93,.54,;-17.68,-.36,;-16.42,.55,;-16.91,2.02,;-4.47,2.02,;-4.81,.53,)|
Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4[nH]ccc34)c2c1 |r,wU:8.7,wD:11.14,(-4.03,-2.02,;-3.69,-.51,;-2.22,-.05,;-1.89,1.44,;-3.01,2.47,;-2.99,4.01,;-4.45,4.5,;-5.37,3.27,;-6.9,3.28,;-7.69,1.96,;-9.22,1.97,;-9.98,3.31,;-9.21,4.64,;-7.66,4.62,;-11.52,3.32,;-12.3,1.99,;-13.84,2.01,;-14.59,3.34,;-13.81,4.67,;-12.29,4.67,;-16.14,3.34,;-16.9,4.68,;-18.43,4.69,;-19.22,3.36,;-18.46,2.01,;-18.93,.54,;-17.68,-.36,;-16.42,.55,;-16.91,2.02,;-4.47,2.02,;-4.81,.53,)|
Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)NCCOc3cccc4[nH]ccc34)c2c1 |wU:11.14,wD:8.7,(7.29,-3.35,;7.29,-1.79,;8.62,-1.03,;8.62,.53,;7.29,1.29,;6.96,2.81,;5.43,2.97,;4.81,1.55,;3.29,1.24,;2.26,2.38,;.76,2.06,;.27,.6,;1.32,-.56,;2.82,-.24,;-1.23,.27,;-1.72,-1.19,;-3.22,-1.5,;-4.25,-.36,;-5.77,-.69,;-5.77,-2.23,;-7.11,-3,;-8.44,-2.23,;-8.47,-.69,;-9.6,.35,;-8.98,1.77,;-7.42,1.58,;-7.12,.09,;5.95,.53,;5.95,-1.03,)|
Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4OCCOc34)c2c1 |wU:11.14,8.7,(7.68,-3.68,;7.68,-2.14,;9.01,-1.36,;9.01,.19,;7.68,.95,;7.35,2.47,;5.83,2.61,;5.2,1.21,;3.7,.9,;2.67,2.03,;1.15,1.72,;.69,.27,;1.71,-.9,;3.23,-.58,;-.83,-.05,;-1.3,-1.53,;-2.82,-1.83,;-3.85,-.69,;-3.36,.79,;-1.86,1.09,;-5.37,-1.01,;-5.84,-2.46,;-7.36,-2.77,;-8.39,-1.62,;-7.9,-.15,;-8.92,.98,;-8.43,2.47,;-6.91,2.77,;-5.91,1.61,;-6.4,.16,;6.34,.18,;6.34,-1.36,)|
COc1ccccc1OCCN[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(F)cc12 |wU:12.12,wD:15.19,(-6.22,2.4,;-7.55,1.61,;-7.55,.09,;-8.91,-.68,;-8.91,-2.24,;-7.55,-2.99,;-6.22,-2.24,;-6.22,-.68,;-4.71,-.37,;-3.68,-1.5,;-2.17,-1.2,;-1.7,.27,;-.19,.6,;.29,2.05,;1.8,2.36,;2.83,1.23,;2.36,-.26,;.85,-.57,;4.32,1.53,;4.95,2.93,;6.47,2.79,;6.79,1.28,;8.13,.53,;8.13,-1.03,;6.79,-1.8,;6.79,-3.34,;5.47,-1.03,;5.47,.51,)|
Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)NCC3COc4ccccc4O3)c2c1 |wU:8.7,11.14,(6.09,4.09,;6.35,2.58,;7.79,2.04,;8.03,.53,;6.84,-.43,;6.79,-1.97,;5.3,-2.36,;4.46,-1.1,;2.92,-1.01,;2.2,.37,;.66,.44,;-.16,-.87,;.54,-2.25,;2.08,-2.32,;-1.69,-.8,;-2.39,.57,;-3.93,.64,;-4.65,2.02,;-6.22,2.09,;-7.03,.78,;-8.57,.85,;-9.39,-.45,;-8.66,-1.83,;-7.15,-1.9,;-6.31,-.59,;-4.77,-.66,;5.42,.11,;5.18,1.62,)|
Cc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(F)cc23)c1=O |c:26|
COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(F)cc23)c1=O |c:27|
Fc1ccc2[nH]cc(C3=CCN(CCCCn4c(=O)c(-c5ccc(Cl)cc5)c5ccccn5c4=O)CC3)c2c1 |t:8|
Fc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(F)cc23)c1=O |c:26|
Fc1ccc2[nH]cc(C3=CCN(CCCCn4c(=O)c(-c5ccccc5F)c5ccccn5c4=O)CC3)c2c1 |t:8,(17.11,-.26,;16.72,-1.43,;17.74,-2.57,;17.26,-4.06,;15.74,-4.35,;14.96,-5.67,;13.48,-5.36,;13.34,-3.84,;12,-3.07,;12,-1.53,;10.67,-.76,;9.34,-1.53,;8,-.76,;6.67,-1.53,;5.33,-.76,;4,-1.54,;2.66,-.77,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;-0,3.85,;-.01,5.39,;1.33,6.16,;2.66,5.39,;2.66,3.85,;3.73,3.24,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-2.77,;9.34,-3.07,;10.67,-3.84,;14.72,-3.2,;15.19,-1.73,)|
Fc1ccc2[nH]cc(C3=CCN(CCCCn4c(=O)c(-c5ccccc5Cl)c5ccccn5c4=O)CC3)c2c1 |t:8,(17.11,-.26,;16.72,-1.43,;17.74,-2.57,;17.26,-4.06,;15.74,-4.35,;14.96,-5.67,;13.48,-5.36,;13.34,-3.84,;12,-3.07,;12,-1.53,;10.67,-.76,;9.34,-1.53,;8,-.76,;6.67,-1.53,;5.33,-.76,;4,-1.54,;2.66,-.77,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;-0,3.85,;-.01,5.39,;1.33,6.16,;2.66,5.39,;2.66,3.85,;3.73,3.24,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-2.77,;9.34,-3.07,;10.67,-3.84,;14.72,-3.2,;15.19,-1.73,)|
Cc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(F)cc23)c1=O |c:26,(3.73,3.24,;2.66,3.85,;2.66,5.39,;1.33,6.16,;-.01,5.39,;-0,3.85,;1.33,3.08,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-2.77,;2.66,-.77,;4,-1.54,;5.33,-.76,;6.67,-1.53,;8,-.76,;9.34,-1.53,;9.34,-3.07,;10.67,-3.84,;12,-3.07,;12,-1.53,;10.67,-.76,;13.34,-3.84,;13.48,-5.36,;14.96,-5.67,;15.74,-4.35,;17.26,-4.06,;17.74,-2.57,;16.72,-1.43,;17.11,-.26,;15.19,-1.73,;14.72,-3.2,;2.66,.77,;3.73,1.38,)|
COc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(F)cc23)c1=O |c:27,(5.07,3.7,;4,3.08,;2.66,3.85,;2.66,5.39,;1.33,6.16,;-.01,5.39,;-0,3.85,;1.33,3.08,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-2.77,;2.66,-.77,;4,-1.54,;5.33,-.76,;6.67,-1.53,;8,-.76,;9.34,-1.53,;9.34,-3.07,;10.67,-3.84,;12,-3.07,;12,-1.53,;10.67,-.76,;13.34,-3.84,;13.48,-5.36,;14.96,-5.67,;15.74,-4.35,;17.26,-4.06,;17.74,-2.57,;16.72,-1.43,;17.11,-.26,;15.19,-1.73,;14.72,-3.2,;2.66,.77,;3.73,1.38,)|
Clc1ccc2[nH]cc(C3=CCN(CCCCn4c(=O)c(-c5ccccc5)c5ccccn5c4=O)CC3)c2c1 |t:8|
Cc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(Cl)cc23)c1=O |c:26|
COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(Cl)cc23)c1=O |c:27|
Fc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(Cl)cc23)c1=O |c:26|
Fc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(Cl)cc23)c1=O |c:26,(3.73,3.24,;2.66,3.85,;2.66,5.39,;1.33,6.16,;-.01,5.39,;-0,3.85,;1.33,3.08,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-2.77,;2.66,-.77,;4,-1.54,;5.33,-.76,;6.67,-1.53,;8,-.76,;9.34,-1.53,;9.34,-3.07,;10.67,-3.84,;12,-3.07,;12,-1.53,;10.67,-.76,;13.34,-3.84,;13.48,-5.36,;14.96,-5.67,;15.74,-4.35,;17.26,-4.06,;17.74,-2.57,;16.72,-1.43,;17.11,-.26,;15.19,-1.73,;14.72,-3.2,;2.66,.77,;3.73,1.38,)|
Clc1ccc2[nH]cc(C3=CCN(CCCCn4c(=O)c(-c5ccccc5Cl)c5ccccn5c4=O)CC3)c2c1 |t:8,(17.11,-.26,;16.72,-1.43,;17.74,-2.57,;17.26,-4.06,;15.74,-4.35,;14.96,-5.67,;13.48,-5.36,;13.34,-3.84,;12,-3.07,;12,-1.53,;10.67,-.76,;9.34,-1.53,;8,-.76,;6.67,-1.53,;5.33,-.76,;4,-1.54,;2.66,-.77,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;-0,3.85,;-.01,5.39,;1.33,6.16,;2.66,5.39,;2.66,3.85,;3.73,3.24,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-2.77,;9.34,-3.07,;10.67,-3.84,;14.72,-3.2,;15.19,-1.73,)|
Cc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(Cl)cc23)c1=O |c:26,(3.73,3.24,;2.66,3.85,;2.66,5.39,;1.33,6.16,;-.01,5.39,;-0,3.85,;1.33,3.08,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-2.77,;2.66,-.77,;4,-1.54,;5.33,-.76,;6.67,-1.53,;8,-.76,;9.34,-1.53,;9.34,-3.07,;10.67,-3.84,;12,-3.07,;12,-1.53,;10.67,-.76,;13.34,-3.84,;13.48,-5.36,;14.96,-5.67,;15.74,-4.35,;17.26,-4.06,;17.74,-2.57,;16.72,-1.43,;17.11,-.26,;15.19,-1.73,;14.72,-3.2,;2.66,.77,;3.73,1.38,)|
COc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(Cl)cc23)c1=O |c:27,(5.07,3.7,;4,3.08,;2.66,3.85,;2.66,5.39,;1.33,6.16,;-.01,5.39,;-0,3.85,;1.33,3.08,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-2.77,;2.66,-.77,;4,-1.54,;5.33,-.76,;6.67,-1.53,;8,-.76,;9.34,-1.53,;9.34,-3.07,;10.67,-3.84,;12,-3.07,;12,-1.53,;10.67,-.76,;13.34,-3.84,;13.48,-5.36,;14.96,-5.67,;15.74,-4.35,;17.26,-4.06,;17.74,-2.57,;16.72,-1.43,;17.11,-.26,;15.19,-1.73,;14.72,-3.2,;2.66,.77,;3.73,1.38,)|
Brc1ccc2[nH]cc(C3=CCN(CCCCn4c(=O)c(-c5ccccc5)c5ccccn5c4=O)CC3)c2c1 |t:8|
Cc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(Br)cc23)c1=O |c:26|
COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(Br)cc23)c1=O |c:27|
Clc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(Br)cc23)c1=O |c:26|
Fc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(Br)cc23)c1=O |c:26|
Fc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(Br)cc23)c1=O |c:26,(3.73,3.24,;2.66,3.85,;2.66,5.39,;1.33,6.16,;-.01,5.39,;-0,3.85,;1.33,3.08,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-2.77,;2.66,-.77,;4,-1.54,;5.33,-.76,;6.67,-1.53,;8,-.76,;9.34,-1.53,;9.34,-3.07,;10.67,-3.84,;12,-3.07,;12,-1.53,;10.67,-.76,;13.34,-3.84,;13.48,-5.36,;14.96,-5.67,;15.74,-4.35,;17.26,-4.06,;17.74,-2.57,;16.72,-1.43,;17.11,-.26,;15.19,-1.73,;14.72,-3.2,;2.66,.77,;3.73,1.38,)|
Cc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(Br)cc23)c1=O |c:26,(3.73,3.24,;2.66,3.85,;2.66,5.39,;1.33,6.16,;-.01,5.39,;-0,3.85,;1.33,3.08,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-2.77,;2.66,-.77,;4,-1.54,;5.33,-.76,;6.67,-1.53,;8,-.76,;9.34,-1.53,;9.34,-3.07,;10.67,-3.84,;12,-3.07,;12,-1.53,;10.67,-.76,;13.34,-3.84,;13.48,-5.36,;14.96,-5.67,;15.74,-4.35,;17.26,-4.06,;17.74,-2.57,;16.72,-1.43,;17.11,-.26,;15.19,-1.73,;14.72,-3.2,;2.66,.77,;3.73,1.38,)|
COc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(Br)cc23)c1=O |c:27,(5.07,3.7,;4,3.08,;2.66,3.85,;2.66,5.39,;1.33,6.16,;-.01,5.39,;-0,3.85,;1.33,3.08,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-2.77,;2.66,-.77,;4,-1.54,;5.33,-.76,;6.67,-1.53,;8,-.76,;9.34,-1.53,;9.34,-3.07,;10.67,-3.84,;12,-3.07,;12,-1.53,;10.67,-.76,;13.34,-3.84,;13.48,-5.36,;14.96,-5.67,;15.74,-4.35,;17.26,-4.06,;17.74,-2.57,;16.72,-1.43,;17.11,-.26,;15.19,-1.73,;14.72,-3.2,;2.66,.77,;3.73,1.38,)|
Fc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccccc5)c5ccccn5c4=O)CC3)c2c1
Cc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccc(F)cc23)c1=O
Fc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(Cl)cc5)c5ccccn5c4=O)CC3)c2c1
Fc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccc(F)cc23)c1=O
Fc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccccc5F)c5ccccn5c4=O)CC3)c2c1 |(17.11,-.26,;16.72,-1.43,;17.74,-2.57,;17.26,-4.06,;15.74,-4.35,;14.96,-5.67,;13.48,-5.36,;13.34,-3.84,;12,-3.07,;12,-1.53,;10.67,-.76,;9.34,-1.53,;8,-.76,;6.67,-1.53,;5.33,-.76,;4,-1.54,;2.66,-.77,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;-0,3.85,;-.01,5.39,;1.33,6.16,;2.66,5.39,;2.66,3.85,;3.73,3.24,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-2.77,;9.34,-3.07,;10.67,-3.84,;14.72,-3.2,;15.19,-1.73,)|
Fc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccccc5Cl)c5ccccn5c4=O)CC3)c2c1 |(17.11,-.26,;16.72,-1.43,;17.74,-2.57,;17.26,-4.06,;15.74,-4.35,;14.96,-5.67,;13.48,-5.36,;13.34,-3.84,;12,-3.07,;12,-1.53,;10.67,-.76,;9.34,-1.53,;8,-.76,;6.67,-1.53,;5.33,-.76,;4,-1.54,;2.66,-.77,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;-0,3.85,;-.01,5.39,;1.33,6.16,;2.66,5.39,;2.66,3.85,;3.73,3.24,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-2.77,;9.34,-3.07,;10.67,-3.84,;14.72,-3.2,;15.19,-1.73,)|
COc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccc(F)cc23)c1=O |(5.07,3.7,;4,3.08,;2.66,3.85,;2.66,5.39,;1.33,6.16,;-.01,5.39,;-0,3.85,;1.33,3.08,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-2.77,;2.66,-.77,;4,-1.54,;5.33,-.76,;6.67,-1.53,;8,-.76,;9.34,-1.53,;10.67,-.76,;12,-1.53,;12,-3.07,;10.67,-3.84,;9.34,-3.07,;13.34,-3.84,;13.48,-5.36,;14.96,-5.67,;15.74,-4.35,;17.26,-4.06,;17.74,-2.57,;16.72,-1.43,;17.11,-.26,;15.19,-1.73,;14.72,-3.2,;2.66,.77,;3.73,1.38,)|
Fc1ccc2[nH]cc(C3=CCN(CCCCn4c(=O)c(-c5ccccc5)c5ccccn5c4=O)CC3)c2c1 |t:8|
COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccc(F)cc2)c2ccc(F)cc2)cn1 |r|
O[C@@H]1C[C@H](OC[C@H]1NCc1ccc(O)c(F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1 |r|
Oc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |r|
C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc2occc2c1 |r|
O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2occc2c1)C(c1ccccc1)c1ccccc1 |r|
COc1cc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)ccc1O |r|
COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)cc1O |r|
COc1cc(O)cc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)c1 |r|
O[C@@H]1C[C@H](OC[C@H]1NCc1cc(O)cc(O)c1)C(c1ccccc1)c1ccccc1 |r|
COc1cccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)c1 |r|
COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)cn1 |r|
COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)cc1F |r|
COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)c(F)c1 |r|
O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2occc2c1)C(c1ccc(F)cc1)c1ccc(F)cc1 |r|
COc1cc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccc(F)cc2)c2ccc(F)cc2)ccc1O |r|
O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2OCCc2c1)C(c1ccc(F)cc1)c1ccc(F)cc1 |r|
COc1cc(O)cc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccc(F)cc2)c2ccc(F)cc2)c1 |r|
O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2OCOc2c1)C(c1ccc(F)cc1)c1ccc(F)cc1 |r|
COc1cccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccc(F)cc2)c2ccc(F)cc2)c1 |r|
[H][C@@]1(CCCN1)C(C)C(O)=O |r|
[H][C@@]1(CCCN1CCOC(c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)[C@H](O)C(O)=O |r|
OC(=O)C(F)(F)F.[H][C@@]1(CCCN1)[C@H](N)C(O)=O |r|
[#8]-[#6](=O)C(F)(F)F.[H][C@@]1([#6]-[#6]-[#6]-[#7]1-[#6]-[#6]\[#6]=[#6](/c1sccc1-[#6])-c1sccc1-[#6])[#6@H](-[#7])-[#6](-[#8])=O |r|
C1C[C@@H](NC1)CC(=O)O
[H][C@@]1(CCCN1CCOC(c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)[C@@H](O)C(O)=O |r|
COc1ccc(cc1)C(c2ccc(cc2)OC)(c3ccc(cc3)OC)OCCN4CCC[C@@H](C4)C(=O)O
C1C[C@H](NC1)CC(=O)O
[H][C@@]1(CCCN1)[C@@H](O)C(O)=O |r|
OC(=O)C(F)(F)F.[H][C@@]1(CCCN1)[C@@H](N)C(O)=O |r|
[#8]-[#6](=O)C(F)(F)F.[H][C@@]1([#6]-[#6]-[#6]-[#7]1-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)[#6@@H](-[#7])-[#6](-[#8])=O |r|
[#8]-[#6](=O)C(F)(F)F.[H][C@@]1([#6]-[#6]-[#6]-[#7]1-[#6]-[#6]\[#6]=[#6](/c1sccc1-[#6])-c1sccc1-[#6])[#6@@H](-[#7])-[#6](-[#8])=O |r|
CN(C)Cc1ccccc1Sc1ccc(CO)cc1N
Cc1ccc(Sc2ccccc2CNCC=C)c(N)c1
CN(C)Cc1ccccc1Sc1ccc(CCF)cc1N
Cc1ccc(Sc2ccccc2CN)c(N)c1
CN(C)Cc1ccccc1Sc1cc(F)c(C)cc1N
CCNCc1ccccc1Sc1ccc(C)cc1N
CN(C)Cc1ccccc1Sc1ccc(CCCF)cc1N
CN(C)Cc1ccccc1Sc1ccc(F)cc1N
Cc1ccc(Sc2ccccc2CNCCCF)c(N)c1
CCCNCc1ccccc1Sc1ccc(C)cc1N
Cc1ccc(Sc2ccccc2CNCCF)c(N)c1
COC(=O)C1C2CCC3CC1\C(CN23)=C\C#Cc1ccccc1 |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(cc1)-c1ccc(F)cc1 |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(cc1)-c1cccc(F)c1 |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(cc1)-c1cccc(c1)C(F)(F)F |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7|
COC(=O)C1C2CCC3CC1\C(CN23)=C\C#Cc1ccc(C)c(F)c1 |TLB:2:4:13:6.7,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\C#Cc1cccc(F)c1 |TLB:2:4:13:6.7,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\C#Cc1ccsc1 |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7|
COC(=O)C1C2CCC3CC1\C(CN23)=C\C#Cc1ccc(F)c(F)c1 |TLB:2:4:13:6.7,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(cc1)-c1ccccc1OC |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7|
COC(=O)C1C2CCC3CC1\C(CN23)=C\C#Cc1ccc(F)cc1 |TLB:2:4:13:6.7,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\C#Cc1cccs1 |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(cc1)-c1ccccc1F |TLB:2:4:13:6.7,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(s1)-c1ccc(SC)cc1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(cc1)-c1cccc(OC)c1 |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7|
COC(=O)C1C2CCC3CC1\C(CN23)=C\C#Cc1cc(F)ccc1F |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(cc1)-c1ccc(SC)cc1 |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(s1)-c1ccsc1 |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7|
COC(=O)C1C2CCC3CC1\C(CN23)=C\C#Cc1c(F)cccc1F |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7|
NC(=O)c1ccccc1OCCCN1CCN(CC1)c1cccc2n(ccc12)S(=O)(=O)c1ccccc1
CCc1ccc(Sc2ccccc2CN(C)C)c(N)c1
CN(C)Cc1ccccc1Sc1ccccc1N
CN(C)Cc1ccccc1Sc1ccc(C=C)cc1N
CCc1ccc(Sc2ccccc2CNC)c(N)c1
CN(C)Cc1ccccc1Sc1ccc(CCCO)cc1N
CNCc1ccccc1Sc1ccc(CO)cc1N
CN(C)Cc1ccccc1Sc1ccc(CCO)cc1N
CN1CCN(CCN(C(=O)Nc2ccc(c(F)c2)C(F)(F)F)c2ccc(cc2)-c2cccc(c2)C#N)CC1
CN(C)CCN(C(=O)Nc1ccc(F)c(Cl)c1)c1ccc(cc1)-c1cccc(c1)C#N
CNCCCC1(C)Cc2ccccc2N(C1=O)c1cc(Cl)cc(Cl)c1
CCC1(CCCNC)Cc2ccccc2N(C1=O)c1ccccc1
CNCCCC1(C)Cc2ccccc2N(C1=O)c1cc(F)cc(F)c1
CNCCCC1Cc2cc(Cl)ccc2N(C1=O)c1ccc(C)cc1
CCc1ccc(cc1)N1C(=O)C(CCCNC)Cc2ccccc12
CNCCCC1Cc2ccccc2N(C1=O)c1ccc(Cl)c(Cl)c1
CNCCCC1(C)Cc2ccccc2N(C1=O)c1ccc(F)c(F)c1
CCCC1(CCCNC)Cc2ccccc2N(C1=O)c1ccc(C)cc1
CNCCCC1Cc2ccccc2N(C1=O)c1ccc(F)cc1
CNCCCC1(C)Cc2ccccc2N(C1=O)c1ccc(C)cc1
CNCCCCC1Cc2ccccc2N(C1=O)c1ccccc1
CNCCCC1Cc2ccccc2N(C1=O)c1cccc(F)c1
CCCC1(CCCNC)Cc2ccccc2N(C1=O)c1ccccc1
CCC1(CCCNC)Cc2cc(Cl)ccc2N(C1=O)c1ccc(C)cc1
CNCCCC1Cc2ccccc2N(C1=O)c1ccc(C)cc1
CNCCCC1(C)Cc2cc(Cl)ccc2N(C1=O)c1ccc(C)cc1
CCC1(CCCNC)Cc2ccccc2N(C1=O)c1ccc(C)cc1
CNCCC1Cc2ccccc2N(C1=O)c1ccccc1
CNCCCC1(C)Cc2ccccc2N(C1=O)c1ccc(cc1)C(C)C
CNCCCC1Cc2cc(F)ccc2N(C1=O)c1ccc(C)cc1
CNCCCC1(C)Cc2ccccc2N(C1=O)c1cccc(C)c1
CNCCCC1Cc2ccccc2N(C1=O)c1ccc(Cl)cc1
CNCCCC1Cc2ccccc2N(C1=O)c1ccccc1
CNCCCC1Cc2ccccc2N(C1=O)c1cccc(Cl)c1
CNCCCC1Cc2ccccc2N(C1=O)c1ccc(cc1)C(F)(F)F
CNCCCC1(C)Cc2ccccc2N(C1=O)c1ccccc1
NCCc1c[nH]c2ccc(OCCOCCOCCS)cc12
O=C(CCCCC1SCC2NC(=O)NC12)NCCN1CCC(=CC1)c1c[nH]c2ccccc12 |c:23|
CN1C2CCC1CC(O)(C2)c1cccc(c1)-c1ccccc1 |TLB:0:1:7.9.6:3.4,10:7:1:3.4,THB:8:7:1:3.4|
CN1C2CCC1C=C(C2)C1c2ccccc2-c2ccccc12 |c:7,THB:9:7:1:3.4|
CN1C2CCC1C=C(C2)c1c[nH]c2ccccc12 |c:7,THB:9:7:1:3.4|
CN1C2CCC1CC(O)(C2)C1c2ccccc2-c2ccccc12 |TLB:0:1:7.9.6:3.4,10:7:1:3.4,THB:8:7:1:3.4|
CN1C2CCC1C=C(C2)c1cccc(c1)-c1ccccc1 |c:7,THB:9:7:1:3.4|
CN1C2CCC1C=C(C2)c1ccc-2c(Cc3ccccc-23)c1 |c:7,THB:9:7:1:3.4|
CN1C2CCC1C=C(C2)c1ccccc1-c1ccccc1 |c:7,THB:9:7:1:3.4|
CN1C2CCC1CC(O)(C2)C1c2ccccc2-c2ccc(Br)cc12 |TLB:0:1:7.9.6:3.4,10:7:1:3.4,THB:8:7:1:3.4|
C[N+]1(CCl)C2CCC1C=C(C2)c1ccccc1-c1ccccc1 |c:9,TLB:0:1:9.10.8:5.6,THB:2:1:9.10.8:5.6,11:9:1:5.6|
CN1C2CCC1CC(O)(C2)c1ccccc1-c1ccccc1 |TLB:0:1:7.9.6:3.4,10:7:1:3.4,THB:8:7:1:3.4|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cncnc1)N2C |TLB:24:23:6.7:4.10.9,THB:2:4:6.7:23,11:10:6.7:23|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1nccs1)N2 |THB:2:4:6.7:22,11:10:6.7:22|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cnccn1)N2C |TLB:24:23:6.7:4.10.9,THB:2:4:6.7:23,11:10:6.7:23|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cncc(OC)c1)N2C |TLB:26:25:6.7:4.10.9,THB:2:4:6.7:25,11:10:6.7:25|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccnc1)N2C |TLB:24:23:6.7:4.10.9,THB:2:4:6.7:23,11:10:6.7:23|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccccn1)N2C |TLB:24:23:6.7:4.10.9,THB:2:4:6.7:23,11:10:6.7:23|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cc(F)cc(F)c1)N2C |TLB:26:25:6.7:4.10.9,THB:2:4:6.7:25,11:10:6.7:25|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1nccs1)N2C |TLB:23:22:6.7:4.10.9,THB:2:4:6.7:22,11:10:6.7:22|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccncc1)N2C |TLB:24:23:6.7:4.10.9,THB:2:4:6.7:23,11:10:6.7:23|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccc(F)c1)N2C |TLB:25:24:6.7:4.10.9,THB:2:4:6.7:24,11:10:6.7:24|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccoc1)N2C |TLB:23:22:6.7:4.10.9,THB:2:4:6.7:22,11:10:6.7:22|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccco1)N2C |TLB:23:22:6.7:4.10.9,THB:2:4:6.7:22,11:10:6.7:22|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccc(c1)N(C)C)N2C |TLB:27:26:6.7:4.10.9,THB:2:4:6.7:26,11:10:6.7:26|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cncc(OC)c1)N2 |THB:2:4:6.7:25,11:10:6.7:25|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccco1)N2 |THB:2:4:6.7:22,11:10:6.7:22|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cnc3ccccc3c1)N2C |TLB:28:27:6.7:4.10.9,THB:2:4:6.7:27,11:10:6.7:27|
C[C@H]1Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
CC1CNc2cccc(N3CCN(CCCc4c[nH]c5ccccc45)CC3)c2C1
Fc1ccc2[nH]cc(CCCN3CCN(CC3)c3cccc4OCCOc34)c2c1
C(CN1CCN(CC1)c1cccc2NCCCc12)Cc1c[nH]c2ccccc12
C(N1CCN(CC1)c1cccc2OCCOc12)c1c[nH]c2ccccc12
CN1CCCc2c1cccc2N1CCN(CCCc2c[nH]c3ccccc23)CC1
O=C1CCc2c(N1)cccc2N1CCN(CCCc2c[nH]c3ccccc23)CC1
C(CN1CCN(CC1)c1cccc2OCCCc12)Cc1c[nH]c2ccccc12
C[C@H]1Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3ccccc23)CC1
C(CCc1c[nH]c2ccccc12)CN1CCN(CC1)c1cccc2OCCOc12
C[C@@H]1Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3ccccc23)CC1
C(Cc1c[nH]c2ccccc12)N1CCN(CC1)c1cccc2OCCOc12
C(CN1CCN(CC1)c1cccc2NCCOc12)Cc1c[nH]c2ccccc12
Fc1cccc2c(CCCN3CCN(CC3)c3cccc4OCCOc34)c[nH]c12
O=C1COc2c(N1)cccc2N1CCN(CCCc2c[nH]c3ccccc23)CC1
Fc1cccc2[nH]cc(CCCN3CCN(CC3)c3cccc4OCCOc34)c12
Clc1ccc2c(CCCN3CCN(CC3)c3cccc4OCCOc34)c[nH]c2c1
C[C@@H]1Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3c(F)cccc23)CC1
CC1(C)Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3ccccc23)CC1
Clc1cccc2[nH]cc(CCCN3CCN(CC3)c3cccc4OCCOc34)c12
Cc1cccc2c(CCCN3CCN(CC3)c3cccc4OCCOc34)c[nH]c12
Fc1ccc2c(CCCN3CCN(CC3)c3cccc4OCCOc34)c[nH]c2c1
C(CCN1CCN(CC1)c1cccc2OCCOc12)CCc1c[nH]c2ccccc12
C[C@H]1Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3c(F)cccc23)CC1
C(CN1CCN(CC1)c1cccc2OCCOc12)Cc1c[nH]c2ccccc12
COc1ccc2[nH]cc(CCCN3CCN(CC3)c3cccc4OCCOc34)c2c1
CC1Oc2c(cccc2N(C)C1=O)N1CCN(CCCc2c[nH]c3ccccc23)CC1
C[C@@H]1Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
CC1Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3ccccc23)CC1
Clc1cccc2c(CCCN3CCN(CC3)c3cccc4OCCOc34)c[nH]c12
Cc1ccc2[nH]cc(CCCN3CCN(CC3)c3cccc4OCCOc34)c2c1
Clc1ccc2[nH]cc(CCCN3CCN(CC3)c3cccc4OCCOc34)c2c1
COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2CCNC(=O)CCC[N+]1=c2cc3c(=Cc4ccc(cc4C3(C)C)N(C)C)cc2CCC1 |c:31,35,TLB:20:19:6.7:4.10.9,THB:2:4:19:6.7|
CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCOC(=O)[C@@H]3C4CCC(C[C@@H]3c3ccc(Cl)c(Cl)c3)N4C)c3ccc(cc3oc2c1)=[N+](CC)CC |wU:37.37,43.45,TLB:44:43:39.40:52,THB:35:37:39.40:52,(14.91,-13.52,;16.26,-12.74,;16.26,-11.19,;14.91,-10.41,;13.57,-11.19,;17.6,-10.42,;17.61,-8.86,;18.96,-8.08,;20.29,-8.87,;21.63,-8.11,;21.64,-6.57,;20.31,-5.78,;20.32,-4.23,;21.66,-3.48,;23,-4.26,;22.99,-5.8,;24.32,-6.58,;25.65,-7.36,;23.55,-7.91,;25.11,-5.26,;21.67,-1.93,;23.22,-1.94,;20.13,-1.92,;21.68,-.39,;20.34,.38,;19.01,-.39,;17.68,.37,;17.67,1.91,;16.34,2.68,;15,1.9,;15.01,.37,;13.67,2.67,;12.34,1.9,;11,2.66,;9.67,1.89,;8.33,2.65,;8.33,4.19,;7,1.88,;5.6,2.5,;4.29,1.8,;4,.35,;4.98,1.06,;6.36,1.13,;7.37,.41,;8.11,-.82,;9.54,-.79,;10.28,-2.01,;9.58,-3.28,;10.32,-4.5,;8.15,-3.3,;7.45,-4.55,;7.41,-2.07,;4.95,3.6,;4.57,4.98,;22.97,-8.88,;24.31,-8.12,;25.65,-8.89,;25.64,-10.44,;24.3,-11.21,;22.97,-10.43,;21.62,-11.2,;20.29,-10.42,;18.95,-11.19,;26.99,-11.21,;28.33,-10.44,;29.67,-11.21,;26.98,-12.76,;28.33,-13.54,)|
CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NC[C@H]3CC[C@@H](CC3)C(=O)NCCN3C4CCC3[C@H]([C@H](C4)c3ccc(Cl)c(Cl)c3)C(=O)OC)c3ccc(cc3oc2c1)=[N+](CC)CC |wU:28.32,41.56,42.47,wD:25.25,TLB:52:41:36:39.38,35:36:39.38:41.42.43,(9.23,-9.98,;7.89,-9.2,;7.9,-7.65,;9.25,-6.88,;10.59,-7.67,;6.57,-6.86,;6.58,-5.31,;5.23,-4.52,;3.89,-5.29,;2.56,-4.52,;2.56,-2.98,;3.9,-2.2,;3.9,-.66,;2.57,.11,;1.22,-.66,;1.22,-2.2,;-.11,-2.97,;-1.45,-3.74,;.65,-4.3,;-.89,-1.64,;2.57,1.65,;1.03,1.66,;4.11,1.66,;2.58,3.19,;3.92,3.95,;5.24,3.17,;5.23,1.63,;6.56,.86,;7.88,1.61,;7.92,3.15,;6.58,3.94,;9.21,.83,;9.19,-.71,;10.56,1.59,;11.87,.8,;11.86,-.74,;13.18,-1.53,;13.24,-4.06,;12.25,-4.78,;12.54,-3.33,;13.84,-2.62,;15.25,-3.22,;15.63,-4.69,;14.61,-3.98,;17.01,-5.07,;18.02,-4.06,;19.4,-4.44,;19.76,-5.84,;21.14,-6.21,;18.75,-6.84,;19.1,-8.23,;17.36,-6.46,;16.57,-2.44,;16.55,-.9,;17.91,-3.2,;19.24,-2.41,;1.21,-5.29,;-.12,-4.51,;-1.46,-5.27,;-1.47,-6.82,;-.13,-7.6,;1.2,-6.83,;2.54,-7.61,;3.88,-6.85,;5.21,-7.62,;-2.82,-7.57,;-4.15,-6.79,;-5.5,-7.56,;-2.83,-9.12,;-4.18,-9.89,)|
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)C#N
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(=O)(=O)NCCO
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)-n1cncn1
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)C(O)=O
CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(N)(=O)=O
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(ccc12)S(N)(=O)=O
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(=O)(=O)NC
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(=O)(=O)N(C)C
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(N)(=O)=O
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(CO)cc12
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(C(N)=O)c(NS(C)(=O)=O)cc12
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(ccc12)C(=O)N(C)C
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(ccc12)C(=O)NC
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)C(=O)OC
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cccc(C(N)=O)c12
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(ccc12)C(N)=O
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(ccc12)C(O)=O
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(C)(=O)=O
CN[C@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(N)(=O)=O
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)C(=O)NC
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cccc(C(O)=O)c12
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)[N+]([O-])=O
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(NS(C)(=O)=O)cc12
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(C)=O
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)C(=O)N(C)C
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)C(N)=O
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(CNS(C)(=O)=O)cc12
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(ccc12)S(C)=O
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(CC(O)=O)cc12
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(cc(C(N)=O)c12)C(N)=O
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cccc(C(=O)NC)c12
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(CC(N)=O)cc12
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(CS(C)=O)cc12
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(C(O)=O)c(NS(C)(=O)=O)cc12
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cccc(C(=O)N(C)C)c12
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(O)cc12
CN[C@@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(N)(=O)=O
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(ccc12)S(C)(=O)=O
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)-n1ccnn1
CN1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2ccccc12
CCN1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2ccccc12
COc1cccc2NCC(CN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)Oc12 |c:14|
CC(C)N1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2ccccc12
CC(C)CN1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2ccccc12
COc1ccc2NCC(CNCCc3c[nH]c4ccc(F)cc34)Oc2c1
C(C1CNc2ccccc2O1)N1CCC(=CC1)c1c[nH]c2ccccc12 |c:16|
CCN1CC(CN2CCC(=CC2)c2c[nH]c3ccc(F)cc23)Oc2c(OC)cccc12 |c:9|
CN1CC(CNCCc2c[nH]c3ccccc23)Oc2ccccc12
C(Cc1c[nH]c2ccccc12)NCC1CNc2ccccc2O1
COc1cccc2N(C)CC(CN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)Oc12 |c:15|
CCCN1CC(CN2CCC(=CC2)c2c[nH]c3ccc(F)cc23)Oc2c(OC)cccc12 |c:10|
CN1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2cc(Cl)ccc12
COc1cccc2NCC(CNCCc3c[nH]c4ccc(F)cc34)Oc12
C(CNCC1CN(Cc2ccccc2)c2ccccc2O1)Cc1c[nH]c2ccccc12
CC(C)N1CC(CNCCCc2c[nH]c3ccccc23)Oc2ccccc12
CCCN1CC(CNCCc2c[nH]c3ccccc23)Oc2ccccc12
Fc1ccc2[nH]cc(CCNCC3CNc4ccccc4O3)c2c1
CN1CC[C@H]([C@@H](CSCC(=O)Nc2ccccc2)C1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](CSCC(=O)N2CCCCC2)C1)c1ccc(Cl)cc1
CN1CC[C@H]([C@H](CSCC(=O)NCc2ccccc2)C1)c1ccc(Cl)cc1
CN1CC[C@H]([C@H](CSCC(=O)NCCc2ccccc2)C1)c1ccc(Cl)cc1
CNC(=O)CSC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CC(C)NC(=O)CSC[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
CN1CC[C@H]([C@H](CSCCOC(=O)c2ccccc2)C1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](CSCCO)C1)c1ccc(Cl)cc1
CC(C)NC(=O)CSC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](CSCC(=O)Nc2cccc3ccccc23)C1)c1ccc(Cl)cc1
COC(=O)CSC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](CSCC(N)=O)C1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](CSCC(=O)NCCc2ccccc2)C1)c1ccc(Cl)cc1
CNC(=O)CSC[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
CN1CC[C@H]([C@H](CSCC(=O)N2CCCCC2)C1)c1ccc(Cl)cc1
COC(=O)CSC[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](CSCCOC(C)=O)C1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](CSCC(=O)NCc2ccccc2)C1)c1ccc(Cl)cc1
COC(=O)[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
CN1CC[C@H]([C@H](CSCCO)C1)c1ccc(Cl)cc1
CN1CC[C@H]([C@H](CSCCOC(C)=O)C1)c1ccc(Cl)cc1
CN(C)C(=O)CSC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](CSCC(=O)N2CCCCC2)C1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](CSCCO)C1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](CSCCOC(C)=O)C1)c1ccc(Cl)cc1
CN(C)C(=O)CSC[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
CC(C)NC(=O)CSC[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](CSCC(=O)NCc2ccccc2)C1)c1ccc(Cl)cc1
COC(=O)CSC[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
CNC(=O)CSC[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
CN(C)C(=O)CSC[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
CN1CC[C@H]([C@H](CSCC(N)=O)C1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](CSCCOC(=O)c2ccccc2)C1)c1ccc(Cl)cc1
CN(C)Cc1ccccc1C(O)c1ccc(C)cc1N
CCN(c1ccc(C)cc1N)c1ccccc1CN(C)C
CN(C)Cc1ccccc1S(=O)c1ccc(C)cc1N
CN(C)Cc1ccccc1Nc1ccc(C)cc1N
CN(C)Cc1ccccc1Oc1ccc(C)cc1N
CN(C)Cc1ccccc1N(Cc1ccccc1)c1ccc(C)cc1N
CN(C)Cc1ccccc1C(=O)c1ccc(C)cc1N
CN(C)Cc1ccccc1N(c1ccccc1)c1ccc(C)cc1N
CN(C)Cc1ccccc1S(=O)(=O)c1ccc(C)cc1N
COC(c1ccc(C)cc1N)c1ccccc1CN(C)C
CN(C)Cc1ccccc1-c1cc(C)ccc1N
CN(C)Cc1ccccc1N(C)c1ccc(C)cc1N
C[C@@H]1CNC[C@H]2Cc3ccc(COCC4CC4)nc3N12
COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
C[C@H](N)Cn1ncc2ccc(O)cc12
COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
CC(C)CN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1
CC(C)CN(Cc1ccc(cc1)C#N)C1CCNCC1
CC(C)N(Cc1ccccc1C(F)(F)F)C1CCNCC1
COc1ccccc1CN(CC(C)C)C1CCNCC1
FC(F)(F)c1ccccc1CN(CC1CC1)C1CCNCC1
CCCN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1
COCCCN(Cc1ccccc1C(F)(F)F)C1CCNCC1
FC(F)(F)c1ccccc1CN(C1CCCC1)C1CCNCC1
CC(C)CN(Cc1cccc(c1)C#N)C1CCNCC1
Fc1ccc(CN(CCC#N)C2CCNCC2)c(c1)C(F)(F)F
OCCN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1
COc1ccc(F)cc1CN(CC(C)C)C1CCNCC1
FC(F)(F)CCN(Cc1ccccc1C(F)(F)F)C1CCNCC1
CCCCN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1
COCCCN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1
CC(C)(CN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1)C#N
CC(C)CN(Cc1ccccc1C(F)(F)F)C1CCNCC1
COCCN(Cc1ccccc1C(F)(F)F)C1CCNCC1
CC(C)CN(Cc1cc(F)ccc1C(F)(F)F)C1CCNCC1
CCOCCN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1
CC(C)CN(Cc1ccccc1OC(F)(F)F)C1CCNCC1
CC(C)CN(Cc1ccccc1)C1CCNCC1
FC(F)(F)c1ccccc1CN(CCCC#N)C1CCNCC1
CCC(CC)CN(Cc1ccccc1C(F)(F)F)C1CCNCC1
CC(C)OCCN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1
CC(C)CN(Cc1cc(Cl)ccc1Cl)C1CCNCC1
CSc1ccccc1CN(CC(C)C)C1CCNCC1
FC(F)(F)CN(Cc1ccccc1C(F)(F)F)C1CCNCC1
CC(C)(O)CN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1
CC(C)(C)CN(Cc1ccccc1C(F)(F)F)C1CCNCC1
CC(C)CN(Cc1ccc(C)cc1)C1CCNCC1
CC(C)(O)CCN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1
CC(C)CN(Cc1cc(ccc1Cl)C(F)(F)F)C1CCNCC1
FC(F)(F)OCCN(Cc1ccccc1C(F)(F)F)C1CCNCC1
CC(C)CN(Cc1ccc(C)cc1C)C1CCNCC1
Fc1ccc(CN(CC2CCC2)C2CCNCC2)c(c1)C(F)(F)F
CC(C)CN(Cc1ccccc1C#N)C1CCNCC1
CC(C)CN(Cc1ccc(Cl)cc1Cl)C1CCNCC1
CC(C)(CCN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1)C#N
CCN(Cc1ccccc1C(F)(F)F)C1CCNCC1
CCCCN(Cc1ccccc1C(F)(F)F)C1CCNCC1
CCC(CC)N(Cc1ccccc1C(F)(F)F)C1CCNCC1
CC(C)CN(Cc1ccccc1Cl)C1CCNCC1
CC(C)CN(Cc1ccc(F)cc1F)C1CCNCC1
CC(C)CN(Cc1cccc(c1)C(F)(F)F)C1CCNCC1
Fc1ccc(CN(CCCC#N)C2CCNCC2)c(c1)C(F)(F)F
CC(C)CN(Cc1cccc(c1Cl)C(F)(F)F)C1CCNCC1
CC(C)CN(Cc1ccc(F)cc1)C1CCNCC1
CCCN(Cc1ccccc1C(F)(F)F)C1CCNCC1
CC(C)CN(Cc1ccc(cc1)C(F)(F)F)C1CCNCC1
CC(C)CN(Cc1ccc(cc1F)C(F)(F)F)C1CCNCC1
CC(C)CN(Cc1ccccc1C)C1CCNCC1
COc1ccc(CN(CC(C)C)C2CCNCC2)c(OC)c1
CC(C)CN(Cc1cccc(C)c1)C1CCNCC1
CC(C)CN(Cc1c(F)cccc1C(F)(F)F)C1CCNCC1
Fc1ccc(cc1)C(OCCC1CCN(CC2=Cc3ccccc3CC2)CC1)c1ccc(F)cc1 |t:17|
O[C@@H](CCN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
O[C@H](CCN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
N[C@H](CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Fc1ccc(cc1)C(OCCC1CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1)c1ccc(F)cc1
C[C@@H](CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
O[C@H](CCc1ccccc1)CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
C[C@H](CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
O[C@@H](CN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
O[C@@H](CCN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
O[C@H](CN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
O[C@@H](CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
O[C@@H](CCc1ccccc1)CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
N[C@@H](CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
O[C@H](CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
C[C@@H](CCN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
C[C@H](CCN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
O[C@H](CCN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
Fc1ccc(cc1)C(OCCC1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1)c1ccc(F)cc1
COc1cc-2c(C[C@@H]3N(C)CCc4cc(OC)c(OC)c-2c34)cc1O |r|
COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1
COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
Cc1c(-c2ccnc3c(C)cccc23)c2cc(C)ccc2n1CC(O)=O |(-2.12,-2.68,;-3.66,-2.69,;-4.56,-3.95,;-4.08,-5.41,;-2.58,-5.71,;-2.09,-7.17,;-3.11,-8.33,;-4.62,-8.02,;-5.63,-9.15,;-5.14,-10.61,;-7.13,-8.85,;-7.62,-7.39,;-6.6,-6.25,;-5.1,-6.56,;-6.04,-3.48,;-7.38,-4.24,;-8.72,-3.47,;-10.05,-4.24,;-8.71,-1.93,;-7.38,-1.16,;-6.05,-1.92,;-4.57,-1.44,;-4.1,.03,;-2.6,.35,;-1.56,-.78,;-2.12,1.82,)|
COC(=O)\C=C1\CN2C3CCC2C1C(C3)c1ccc(C)cc1 |TLB:5:12:7:10.9,THB:6:7:10.9:12.13.14,10:11:5.6:13.8.14|
COC(=O)\C=C1\CN2C3CCC2C1C(C3)c1ccc(Cl)cc1 |TLB:5:12:7:10.9,THB:6:7:10.9:12.13.14,10:11:5.6:13.8.14|
Ic1ccc(cc1)C1CC2CCC3C1C(=C)CN23 |TLB:11:12:14.16:7.9.8,THB:14:13:17:11.10,16:17:11.10:13.7.8,4:7:17:11.10|
Brc1ccc(cc1)C1CC2CCC3C1C(=C)CN23 |TLB:11:12:14.16:7.9.8,THB:14:13:17:11.10,16:17:11.10:13.7.8,4:7:17:11.10|
Cc1ccc(cc1)C1CC2CCC3C1C(=C)CN23 |TLB:11:12:14.16:7.9.8,THB:14:13:17:11.10,16:17:11.10:13.7.8,4:7:17:11.10|
COC(=O)\C=C1\CN2C3CCC2C1C(C3)c1ccc(Br)cc1 |TLB:5:12:7:10.9,THB:6:7:10.9:12.13.14,10:11:5.6:13.8.14|
Clc1ccc(cc1)C1CC2CCC3C1C(=C)CN23 |TLB:11:12:14.16:7.9.8,THB:14:13:17:11.10,16:17:11.10:13.7.8,4:7:17:11.10|
CN(CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1)CCc1ccc(N=[N+]=[N-])c(I)c1 |r|
CN(C)CCC[C@]1(OCc2cc(CNC(=O)CCc3ccc(N=[N+]=[N-])c(I)c3)ccc12)c1ccc(F)cc1 |r|
CN(C)CCC[C@]1(OCc2cc(CNC(=O)c3ccc(N=[N+]=[N-])c(I)c3)ccc12)c1ccc(F)cc1 |r|
Nc1ccc(CN[C@@H]2CC[C@@H](OC2)C(c2ccccc2)c2ccccc2)cc1
O[C@H]1C[C@@H](OC[C@@H]1NCc1ccc(O)cc1)C(c1ccccc1)c1ccccc1
C(N[C@@H]1CC[C@@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc2[nH]ccc2c1
Oc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1
COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)cc1
O[C@@H]1C[C@H](OC[C@H]1NCc1ccccc1)C(c1ccccc1)c1ccccc1
C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc2[nH]ccc2c1
[O-][N+](=O)c1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1
Nc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1
O[C@@H]1C[C@H](OC[C@H]1NCc1ccc(O)cc1)C(c1ccccc1)c1ccccc1
Oc1ccc(CN[C@@H]2CC[C@@H](OC2)C(c2ccccc2)c2ccccc2)cc1
[O-][N+](=O)c1ccc(CN[C@@H]2CC[C@@H](OC2)C(c2ccccc2)c2ccccc2)cc1
O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2[nH]ccc2c1)C(c1ccccc1)c1ccccc1
O[C@H]1C[C@@H](OC[C@@H]1NCc1ccc2[nH]ccc2c1)C(c1ccccc1)c1ccccc1
CN1[C@@H](C[C@@H](O)c2ccccc2)CCC[C@H]1\C=C\c1ccccc1
CN1[C@@H](CCc2ccccc2)CCC[C@H]1C[C@H](O)c1ccccc1
CN1[C@H](CCc2ccccc2)CCC[C@@H]1C[C@H](O)c1ccccc1
CN1[C@@H](CCc2ccccc2)CCC[C@H]1C[C@@H](O)c1ccccc1
CN1[C@H](C[C@@H](O)c2ccccc2)CCC[C@@H]1\C=C\c1ccccc1
CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1\C=C\c1ccccc1
CN1[C@H](CCc2ccccc2)CCC[C@@H]1C[C@@H](O)c1ccccc1
CN1[C@@H](C[C@H](O)c2ccccc2)CCC[C@H]1\C=C\c1ccccc1
COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(cc1)-c1nccs1
COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(C=O)cc1
COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(cc1)-c1ccco1
COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(cc1)-c1cccs1
COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(cc1)-c1ccsc1
COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(\C=C/I)cc1
COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(I)cc1
CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CCO)cc(c1)C(C)=O
O=C(NCCC[C@H]1C[C@H](Cc2ccccc2)CCN1)Nc1cccc(c1)C#N
CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2)c1
CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CCF)cc(c1)C(C)=O
CCC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(cc(c1)C(C)=O)C(C)=O
CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CC#C)cc(c1)C(C)=O
CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccccc3)CCN2)c1
CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2C(N)=N)cc(c1)C(C)=O
CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CC=C)c1
CN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cccc(c1)C(C)=O
CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CC2CC2)c1
CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2)cc(c1)C(C)=O
CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CCO)c1
CCCN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cccc(c1)C(C)=O
CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CC(F)F)cc(c1)C(C)=O
CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CCCO)cc(c1)C(C)=O
CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CC(N)=O)cc(c1)C(C)=O
CCCN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(cc(c1)C(C)=O)C(C)=O
CC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(cc(c1)C(C)=O)C(C)=O
CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CC=C)cc(c1)C(C)=O
CC(=O)CN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(cc(c1)C(C)=O)C(C)=O
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccc(N)c(I)c1)N2C |TLB:11:10:25:7.6,THB:2:4:25:7.6|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccc(N=[N+]=[N-])c(I)c1)N2C |TLB:11:10:27:7.6,THB:2:4:27:7.6|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccc(cc1)[N+]([O-])=O)N2C |TLB:11:10:26:7.6,THB:2:4:26:7.6|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccc(N)cc1)N2C |TLB:11:10:24:7.6,THB:2:4:24:7.6|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Br)cc1)N2C |TLB:11:10:18:7.6,THB:2:4:18:7.6|
COC(=O)[C@@H]1[C@H]2CCC(C[C@H]1c1ccc(Cl)c(Cl)c1)N2C |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)S2=O |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)[C@@H]1[C@H]2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)O2 |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(Cl)c(Cl)c1)S2 |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(Cl)c(F)c1)S2 |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(Cl)c(Cl)c1)S2=O |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)[C@@H]1C2CCC(C2)C[C@@H]1c1ccc(Cl)c(Cl)c1 |TLB:12:11:9:6.7,THB:2:4:9:6.7|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(I)cc1)S2 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(F)c(Cl)c1)S2 |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)C1=C(CC2CC[C@@H]1S2)c1ccc(Cl)c(Cl)c1 |t:4,TLB:12:5:11:9.8,THB:2:4:11:9.8|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccccc1)S2 |TLB:11:10:17:6.7,THB:2:4:17:6.7|
COC(=O)[C@@H]1[C@H]2[C@H](O)CC(C[C@H]1c1ccc(Cl)c(Cl)c1)N2C |TLB:12:11:20:6.8,THB:7:6:20:4.11.10,2:4:20:6.8|
COC(=O)C1=C(CC2CC[C@H]1N2C)c1ccc(Cl)c(Cl)c1 |t:4,TLB:13:5:11:9.8,THB:2:4:11:9.8|
COC(=O)C1=C(CC2CCC1S2)c1ccc(Cl)cc1 |t:4,THB:2:4:11:9.8,12:5:11:9.8|
COC(=O)C1=C(CC2CC[C@H]1S2)c1ccc(Cl)c(Cl)c1 |t:4,TLB:12:5:11:9.8,THB:2:4:11:9.8|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(Br)cc1)S2=O |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)[C@@H]1[C@H]2CCC(C[C@H]1c1ccc(Cl)c(Cl)c1)O2 |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)[C@@H]1[C@@H]2[C@H](O)CC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2C |TLB:12:11:20:6.8,THB:7:6:20:4.11.10,2:4:20:6.8|
COC(=O)C1=C(CC2CC[C@H]1O2)c1ccc(Cl)c(Cl)c1 |t:4,TLB:12:5:11:9.8,THB:2:4:11:9.8|
COC(=O)C1=C(CC2CCC1S2)c1ccc(Cl)c(F)c1 |t:4,TLB:12:5:11:9.8,THB:2:4:11:9.8|
COC(=O)C1=C(CC2CCC1O2)c1ccc(Cl)c(Cl)c1 |t:4,THB:12:5:11:9.8,2:4:11:9.8|
COC(=O)[C@@H]1[C@H]2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2C |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)[C@@H]1[C@H]2[C@H](O)CC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2C |TLB:12:11:20:6.8,THB:7:6:20:4.11.10,2:4:20:6.8|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(F)c1)S2=O |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)S2 |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)C1=C(CC2CCC1S2)c1ccc2ccccc2c1 |t:4,THB:12:5:11:9.8,2:4:11:9.8|
COC(=O)C1=C(CC2CCC1S2)c1ccc(Br)cc1 |t:4,THB:2:4:11:9.8,12:5:11:9.8|
COC(=O)[C@@H]1[C@H]2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)S2 |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)C1=C(CC2CCC1S2)c1ccc(Cl)c(Cl)c1 |t:4,THB:12:5:11:9.8,2:4:11:9.8|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccccc1)S2=O |TLB:11:10:17:6.7,THB:2:4:17:6.7|
COC(=O)C1=C(CC2CC[C@@H]1N2C)c1ccc(Cl)c(Cl)c1 |t:4,TLB:13:5:11:9.8,THB:2:4:11:9.8|
COC(=O)C1=C(CC2CCC1S2)c1ccc(I)cc1 |t:4,THB:2:4:11:9.8,12:5:11:9.8|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Br)cc1)S2 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)[C@@H]1C2CCC(C2)C[C@H]1c1ccc(Cl)c(Cl)c1 |TLB:12:11:9:6.7,THB:2:4:9:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)S2 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)C1=C(CC2CCC1S2)c1ccc(F)cc1 |t:4,THB:2:4:11:9.8,12:5:11:9.8|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(F)c(Cl)c1)S2=O |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(Cl)c(Cl)c1)O2 |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)[C@@H]1[C@@H]2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)S2 |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(F)c(Cl)c1)S2 |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(Cl)c(F)c1)S2=O |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)S2 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)C1=C(CC2C[C@@H](O)[C@H]1N2C)c1ccc(Cl)c(Cl)c1 |t:4,TLB:14:5:12:9.8,THB:10:9:12:4.5.6,2:4:12:9.8|
COC(=O)[C@@H]1[C@@H]2CCC(C[C@H]1c1ccc(Cl)c(Cl)c1)O2 |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)[C@@H]1[C@@H]2CCC(C[C@H]1c1ccc(Cl)c(Cl)c1)S2 |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc3ccccc3c1)S2 |TLB:11:10:21:6.7,THB:2:4:21:6.7|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(F)c(F)c1)S2 |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)C1=C(CC2CCC1S2)c1ccc(F)c(F)c1 |t:4,TLB:12:5:11:9.8,THB:2:4:11:9.8|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(F)c(F)c1)S2 |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(Br)cc1)S2 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)O2 |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)C1=C(CC2CCC1S2)c1ccccc1 |t:4,THB:2:4:11:9.8,12:5:11:9.8|
COC(=O)C1=C(CC2CCC1C2)c1ccc(Cl)c(Cl)c1 |t:4,TLB:12:5:11:9.8,THB:2:4:11:9.8|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(F)cc1)S2 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(F)c1)S2 |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccccc1)S2 |TLB:11:10:17:6.7,THB:2:4:17:6.7|
COC(=O)C1=C(CC2CCC1S2=O)c1ccccc1 |t:4,TLB:13:5:11:9.8,THB:2:4:11:9.8|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc3ccccc3c1)S2 |TLB:11:10:21:6.7,THB:2:4:21:6.7|
COC(=O)C1=C(CC2CCC1S2)c1ccc(F)c(Cl)c1 |t:4,TLB:12:5:11:9.8,THB:2:4:11:9.8|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(F)c(F)c1)S2=O |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)[C@@H]1[C@H]2CCC(C[C@H]1c1ccc(Cl)c(Cl)c1)S2 |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)[C@@H]1[C@@H]2[C@H](O)CC(C[C@H]1c1ccc(Cl)c(Cl)c1)N2C |TLB:12:11:20:6.8,THB:7:6:20:4.11.10,2:4:20:6.8|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(Cl)cc1)S2 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)C1=C(CC2C[C@@H](O)[C@@H]1N2C)c1ccc(Cl)c(Cl)c1 |t:4,TLB:14:5:12:9.8,THB:10:9:12:4.5.6,2:4:12:9.8|
COC(=O)[C@@H]1[C@@H]2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)O2 |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)C1=C(CC2CC[C@@H]1O2)c1ccc(Cl)c(Cl)c1 |t:4,TLB:12:5:11:9.8,THB:2:4:11:9.8|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(F)cc1)S2 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COc1ccccc1OC(C1CNCCO1)c1ccc(I)s1 |w:10.16,9.9|
FC(F)(F)c1ccccc1OC(C1CNCCO1)c1cccc(I)c1 |w:12.13,11.11|
Ic1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1
[O-][N+](=O)c1ccccc1COC(C1CNCCO1)c1cccc(I)c1 |w:12.13,11.11|
COc1ccccc1COC(C1CNCCO1)c1cccc(I)c1 |w:11.17,10.10|
COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)c3ccc(cc3)C#N)ccc12 |w:8.8|
COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCCCC3)ccc12 |w:8.8|
COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)C(=O)c3cccn3C)ccc12 |w:8.8|
COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12 |w:8.8|
COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(CC3)C#N)ccc12 |w:8.8|
COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN(C3CC3)C3CC3)ccc12 |w:8.8|
COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)C(C)C)ccc12 |w:8.8|
CCNCCCOc1ccc2C(CN(C)Cc2c1)c1ccc(OC)cc1 |w:11.19|
COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(O)CC3)ccc12 |w:8.8|
COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)c3ccccc3O)ccc12 |w:8.8|
COc1ccc(cc1)C1CN(C)Cc2cc(OCCCNC3CC3)ccc12 |w:8.8|
COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)(F)C3)ccc12 |w:8.8|
COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCS(=O)(=O)CC3)ccc12 |w:8.8|
COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)c3ccncc3)ccc12 |w:8.8|
COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(CO)CC3)ccc12 |w:8.8|
COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)c3nccs3)ccc12 |w:8.8|
COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)C(=O)C(C)C)ccc12 |w:8.8|
CCN1CCN(CCCOc2ccc3C(CN(C)Cc3c2)c2ccc(OC)cc2)CC1 |w:14.22|
COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC3)ccc12 |w:8.8|
COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCCC(F)(F)C3)ccc12 |w:8.8|
CCN(CC)CCCOc1ccc2C(CN(C)Cc2c1)c1ccc(OC)cc1 |w:13.21|
COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(CC3)C(F)(F)F)ccc12 |w:8.8|
COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CC(F)(F)C3)ccc12 |w:8.8|
COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8|
COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)(F)CC3)ccc12 |w:8.8|
COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)C(C)=O)ccc12 |w:8.8|
COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)C3CC3)ccc12 |w:8.8|
COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)C(=O)c3ccncc3)ccc12 |w:8.8|
COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)c3ccc(cc3)C(F)(F)F)ccc12 |w:8.8|
Cl.CNC(=O)[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r|
Cl.NC(=O)[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r|
Cl.OC[C@H]1CNCCO[C@@H]1c1ccc(Cl)c(Cl)c1 |r|
Cl.OC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r|
Cl.OC[C@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r|
Cl.OC[C@@H]1CNCCO[C@@H]1c1ccc(Cl)c(Cl)c1 |r|
Cl.OC[C@]1(CCNCCO1)c1ccc(Cl)c(Cl)c1 |r|
Cl.OC[C@@]1(CCNCCO1)c1ccc(Cl)c(Cl)c1 |r|
Cl.OCC1(CCNCCO1)c1ccc(Cl)c(Cl)c1
Cl.OCC1(CCCNCC1)c1ccc(Cl)c(Cl)c1
Cl.CN(C)C(=O)[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r|
OC(=O)\C=C\C(O)=O.CC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r|
Cl.CC(=O)NCC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r|
CC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1
OC(=O)\C=C\C(O)=O.CC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(F)c(Cl)c1 |r|
Cl.CC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(C)c1 |r|
Cl.CC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(C)c(Cl)c1 |r|
CN1CC(c2ccc(Cl)cc2)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3|
COc1ccc(cc1Cl)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:9.9|
CN1CC(c2ccccc2)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3|
CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8|
CN1CC(c2cccc(c2)C(F)(F)F)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3|
CN1CC(c2ccc(OC(F)F)cc2)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3|
COc1cccc(c1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8|
CN1CC(c2cccc(Cl)c2)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3|
CN1CC(c2ccc(cc2)C#N)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3|
CN1CC(c2ccc(Cl)c(Cl)c2)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3|
COc1ccc(cc1)[C@H]1CN(C)Cc2cc(OCCCN3CCOC[C@@H]3C)ccc12
COc1ccc(cc1)[C@@H]1CN(C)Cc2cc(OCCCN3CCOC[C@@H]3C)ccc12
CN1CC(c2ccc(C)cc2)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3|
CCOc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:9.9|
CN1CC(c2ccc(cc2)C(F)(F)F)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3|
CN1CC(c2ccc(cc2)S(C)(=O)=O)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3|
CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12 |w:8.8|
CN1CC(c2ccc(OCCCN3CCC(F)CC3)cc2C1)c1cc(Cl)ccc1Cl |w:3.24|
CN1CC(c2ccccc2Cl)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3|
CN1CC(c2ccc(SC(F)(F)F)cc2)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3|
Fc1ccc(cc1)C(OCCC1CCN(C[C@H]2Cc3ccccc3CN2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCC1CCN(C[C@@H]2Cc3ccccc3CN2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(CCCCl)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(CC23CC4CC(CC(C4)C2)C3)CC1)c1ccc(F)cc1 |THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22,15:16:19:23.21.22|
O[C@@H]1[C@@H](CN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CCc2ccccc12
Fc1ccc(cc1)C(OCCN1CCN(CC#Cc2ccccc2)CC1)c1ccc(F)cc1
C(CN1CCC(Cc2ccccc2)=CC1)C(N1CCCC1)c1csc2ccccc12 |c:13|
C(CN1CCC(Cc2ccccc2)=CC1)C(N1CCCCC1)c1csc2ccccc12 |c:13|
Clc1ccc(cc1Cl)C(CCN1CCOCC1)N1CCCC1
CN(C)CCC(N1CCOCC1)c1cc2ccccc2s1
CN(C)CCC(N1CCCC1)c1cc2ccccc2s1
CN(C)CCC(N1CCOCC1)c1csc2ccccc12
CN(C)CCC(N1CCCC1)c1csc2ccccc12
CN(C)CCC(N1CCOCC1)c1ccc(Cl)c(Cl)c1
CN(C)CCC(N1CCCCC1)c1ccc(Cl)c(Cl)c1
CN(C)CCC(N1CCNCC1)c1ccc(Cl)c(Cl)c1
CN(C)CCC(N1CCCC1)c1ccc(Cl)c(Cl)c1
COc1ccc2cc(ccc2c1Cl)C(CCN(C)C)N1CCCC1
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1cccc(\C=C\Br)c1)N2 |TLB:11:10:20:7.6,THB:2:4:20:7.6|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1cccc(\C=C\I)c1)N2 |TLB:11:10:20:7.6,THB:2:4:20:7.6|
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(CCCc2c(C)cccc2-c2ccccc2)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(CCCc2ccc(F)cc2-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|
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|
Cc1cccc(CN(Cc2ccccn2)[C@H]2CCNC2)c1C
Clc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1Cl |r|
Cc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1Cl
Clc1cccc(CN(CC2CC2)[C@@H]2CCNC2)c1Cl
COc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C
FC(F)(F)c1ccccc1CN([C@H]1CCNC1)C1CCOCC1
Cc1c(CN([C@H]2CCNC2)C2CCOCC2)cccc1C(F)(F)F
Cc1c(Cl)cccc1CN([C@H]1CCNC1)C1CCOCC1
Cc1cccc(CN([C@@H]2CCNC2)C2CCOCC2)c1C
C(N([C@H]1CCNC1)C1CCOCC1)c1ccccc1-c1ccccc1 |r|
Clc1cccc(CN(CC2CC2)[C@H]2CCNC2)c1Cl
Clc1cccc(CN(Cc2ccccn2)[C@H]2CCNC2)c1Cl
Cc1ccccc1CN([C@H]1CCNC1)C1CCOCC1
Fc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C(F)(F)F
Cc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C |r|
Cc1cccc(CN(Cc2ccccn2)[C@@H]2CCNC2)c1C
Clc1cccc(CN(Cc2ccccn2)[C@@H]2CCNC2)c1Cl
Fc1ccc(CN([C@H]2CCNC2)C2CCOCC2)c(F)c1F
CCN(CC)CCCOc1cc2CN(C)CC(c3ccccc3)c2cn1 |w:16.16|
CN1CC(c2ccccc2)c2cnc(OCCCN3CCCCC3)cc2C1 |w:3.3|
COc1ccc(cc1)C1CN(C)Cc2cc(OCC3CCN(CC3)C(C)C)ncc12 |w:8.8|
CC(C)N1CCC(COc2cc3CN(C)CC(c4ccc(Cl)c(Cl)c4)c3cn2)CC1 |w:16.16|
CN1CC(c2ccc(Cl)c(Cl)c2)c2cnc(OCCCN3CCCCC3)cc2C1 |w:3.3|
CN1CC(c2ccc(Cl)cc2)c2cnc(OCCCN3CCCCC3)cc2C1 |w:3.3|
COc1ccc(cc1)C1CNCc2cc(OCCCN3CCOCC3)ncc12 |w:8.8|
CCN(CC)CCCOc1cc2CN(C)CC(c3ccc(OC)cc3)c2cn1 |w:16.16|
COc1ccc(cc1)C1CNCc2cc(OCCCN3CCCCC3)ncc12 |w:8.8|
CN1CC(c2ccccc2F)c2cnc(OCCCN3CCCCC3)cc2C1 |w:3.3|
Clc1ccc(cc1)C1CNCc2cc(OCCCN3CCCCC3)ncc12 |w:7.7|
C(COc1cc2CNCC(c3ccccc3)c2cn1)CN1CCCCC1 |w:9.9|
CC(C)N1CCC(COc2cc3CNCC(c4ccc(Cl)c(Cl)c4)c3cn2)CC1 |w:15.15|
C(COc1cc2CNCC(c3ccccc3)c2cn1)CN1CCOCC1 |w:9.9|
COc1ccc(cc1)C1CNCc2cc(OCC3CCN(CC3)C(C)C)ncc12 |w:8.8|
CCN(CC)CCCOc1cc2CNCC(c3ccc(OC)cc3)c2cn1 |w:15.15|
CCN(CC)CCCOc1cc2CN(C)CC(c3ccc(Cl)c(Cl)c3)c2cn1 |w:16.16|
COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCCCC3)ncc12 |w:8.8|
Clc1ccccc1C1CNCc2cc(OCCCN3CCCCC3)ncc12 |w:7.7|
COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCOCC3)ncc12 |w:8.8|
CN1CC(c2ccc(F)cc2)c2cnc(OCCCN3CCCCC3)cc2C1 |w:3.3|
Clc1ccc(cc1Cl)C1CNCc2cc(OCCCN3CCCCC3)ncc12 |w:8.8|
CN1CC(c2cccc(Cl)c2)c2cnc(OCCCN3CCCCC3)cc2C1 |w:3.3|
COc1cccc(c1)C1CN(C)Cc2cc(OCCCN3CCCCC3)ncc12 |w:8.8|
CCN(CC)CCCOc1cc2CNCC(c3ccc(Cl)c(Cl)c3)c2cn1 |w:15.15|
CN1CC(c2ccc(Cl)c(F)c2)c2cnc(OCCCN3CCCCC3)cc2C1 |w:3.3|
Oc1ccccc1C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:13.13,7.7|
COc1ccc(cc1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:14.14,8.8|
C(COc1ccc2C(CN3CCCC3c2c1)c1ccccc1)CN1CCCCC1 |w:7.18,13.12|
[O-][N+](=O)c1ccc(cc1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:15.15,9.9|
CSc1ccc(cc1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:8.8,14.14|
COc1ccccc1C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:14.14,8.8|
C#Cc1ccc(cc1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:8.8,14.14|
Oc1cccc(c1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:13.13,7.7|
FC(F)(F)c1ccc(cc1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:16.16,10.10|
CN(C)c1ccc(cc1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:15.15,9.9|
C#Cc1cccc(c1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:8.8,14.14|
Fc1ccc(cc1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:7.7,13.13|
Oc1ccc(cc1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:13.13,7.7|
FC(F)(F)c1cccc(c1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:16.16,10.10|
Clc1cccc(c1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:7.7,13.13|
FC(F)(F)Oc1ccc(cc1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:17.17,11.11|
Clc1ccccc1C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:7.7,13.13|
N#Cc1ccc(cc1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:8.8,14.14|
Clc1ccc(cc1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:7.7,13.13|
COc1cccc(c1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:14.14,8.8|
Cc1ccc(cc1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:7.7,13.13|
COC(=O)C1(CC1CN1CCC(O)(CC1)c1ccccc1)c1ccc(C)cc1
CCN(CC)C(=O)[C@]1(C[C@H]1C[NH3+])c1ccsc1
CCN(CC)C(=O)[C@]1(C[C@H]1C[NH3+])c1cccc2ccccc12
CCN(CC)C(=O)[C@@]1(C[C@@H]1C[NH3+])c1cccc(Cl)c1
CCN(CC)C(=O)[C@]1(C[C@H]1C[NH3+])c1cccc(Cl)c1
CCN(CC)C(=O)[C@]1(C[C@H]1C[NH3+])c1ccc2ccccc2c1
CCN(CC)C(=O)[C@@]1(C[C@@H]1C[NH3+])c1ccc(OC)cc1
CCN(CC)C(=O)[C@]1(C[C@H]1C[NH3+])c1ccc(Cl)c(Cl)c1
CCN(CC)C(=O)[C@]1(C[C@H]1C[NH3+])c1ccc(Cl)cc1
CCN(CC)C(=O)[C@@]1(C[C@@H]1C[NH3+])c1ccc(F)cc1
CCN(CC)C(=O)[C@@]1(C[C@@H]1C[NH3+])c1ccsc1
CCN(CC)C(=O)[C@]1(C[C@H]1C[NH3+])c1ccc(OC)cc1
CCN(CC)C(=O)[C@@]1(C[C@@H]1C[NH3+])c1ccc2ccccc2c1
CCN(CC)C(=O)[C@@]1(C[C@@H]1C[NH3+])c1cccc2ccccc12
CCN(CC)C(=O)[C@@]1(C[C@@H]1C[NH3+])c1cccs1
CCN(CC)C(=O)[C@@]1(C[C@@H]1C[NH3+])c1ccc(Cl)c(Cl)c1
CCN(CC)C(=O)[C@@]1(C[C@@H]1C[NH3+])c1ccc(Cl)cc1
CCN(CC)C(=O)[C@]1(C[C@H]1C[NH3+])c1ccc(F)cc1
CCCCOCC1CNCCN1c1ccc2cc(ccc2n1)[N+]([O-])=O |w:6.5|
OCC1CNCCN1c1ccc2cc(ccc2n1)[N+]([O-])=O |w:2.1|
CCOCC1CNCCN1c1ccc2cc(ccc2n1)[N+]([O-])=O |w:4.3|
COCC1CNCCN1c1ccc2cc(ccc2n1)[N+]([O-])=O |w:3.2|
CCCOCC1CNCCN1c1ccc2cc(ccc2n1)[N+]([O-])=O |w:5.4|
CN1CCC(=CC1)c1c[nH]c2ccc(F)cc12 |c:4|
COc1ccc2[nH]cc(C3=CCC(CC3)N(C)C)c2c1 |w:12.15,t:9|
CN(C)C1CCC(=CC1)c1c[nH]c2ccc(F)cc12 |w:3.2,c:6|
CN(C)C1CCC(=CC1)c1c[nH]c2ccc(C)cc12 |w:3.2,c:6|
CN(C)[C@@H]1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N |c:6|
COc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1 |t:9|
CN(C)C1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |w:3.2,c:6|
CN(C)C1CCC(=CC1)c1c[nH]c2ccc(Br)cc12 |w:3.2,c:6|
CN1CCC(=CC1)c1c[nH]c2ccc(C)cc12 |c:4|
CN(C)[C@H]1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N |c:6|
CN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:4|
CN1CCC(=CC1)c1c[nH]c2ccccc12 |c:4|
CN1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N |c:4|
CN(C)C1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N |w:3.2,c:6|
CN(C)C1CCC(=CC1)c1c[nH]c2ccc(cc12)[N+]([O-])=O |w:3.2,c:6|
CN(C)C1CCC(=CC1)c1c[nH]c2ccccc12 |w:3.2,c:6|
CN1CCC(=CC1)c1c[nH]c2ccc(Br)cc12 |c:4|
CN1CCC(=CC1)c1c[nH]c2ccc(cc12)[N+]([O-])=O |c:4|
CCCN(CCCCc1c[nH]c2ccc(F)cc12)C1COc2c(C1)ccc1ncccc21 |w:18.19|
CCCN(CCc1c[nH]c2ccc(F)cc12)C1COc2ccc3ncccc3c2C1 |w:16.17|
CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3ncccc3c2C1 |w:17.18|
Fc1ccc2[nH]cc(CCCNC3COc4ccc5ncccc5c4C3)c2c1 |w:12.11|
COc1cccc2OCC(Cc12)NCCCc1c[nH]c2ccc(F)cc12 |w:9.13|
Fc1ccc2[nH]cc(CCCNC3COc4c(C3)ccc3ncccc43)c2c1 |w:12.11|
CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2c(C1)ccc1ncccc21 |w:17.18|
Fc1ccc2[nH]cc(CCCCNC3COc4c(C3)ccc3ncccc43)c2c1 |w:13.12|
CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2cccc(OC)c2C1
Fc1ccc2[nH]cc(CCNC3COc4ccc5ncccc5c4C3)c2c1 |w:11.10|
CSc1ccc(OC(CCN(C)C)c2ccc(OCCCN3CCCCC3)cc2)cc1 |w:7.7|
CN(C)CCC(Oc1ccccc1)c1cccc(OCCCN2CCCCC2)c1 |w:5.4|
CN(C)CCC(Oc1ccccc1)c1ccc(OCCCN2CCCCC2)cc1 |w:5.5|
CN(C)CCC(Oc1cccc(Br)c1)c1ccc(OCCCN2CCCCC2)cc1 |w:5.4|
CN(C)CCC(Oc1cccc(Cl)c1)c1ccc(OCCCN2CCCCC2)cc1 |w:5.4|
CN(C)CCC(Oc1ccccc1)c1ccc(cc1)C#CCCN1CCCCC1 |w:5.4|
CN(C)CCC(Oc1ccc(Cl)c(Cl)c1)c1ccc(OCCCN2CCCCC2)cc1 |w:5.4|
CN(C)CCC(Oc1cccc(OCCCN2CCCCC2)c1)c1ccccc1 |w:5.4|
CN(C)CCC(Oc1ccc(F)cc1)c1ccc(OCCCN2CCCCC2)cc1 |w:5.4|
CN(C)CCC(Oc1ccc(cc1)C#N)c1ccc(OCCCN2CCCCC2)cc1 |w:5.4|
CN(C)CCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
CC(C)N1CCN(CC1)C(=O)c1ccc(cc1)C(CCN(C)C)Oc1ccccc1 |w:17.19|
COc1cccc(OC(CCN(C)C)c2ccc(OCCCN3CCCCC3)cc2)c1 |w:8.8|
CN(C)CCC(Oc1ccc(OCCCN2CCCCC2)cc1)c1ccccc1 |w:5.4|
CC(C)N1CCC(CC1)Oc1ccc(cc1)C(CCN(C)C)Oc1ccccc1 |w:16.18|
CN(C)CCC(Oc1ccc(cc1)C(F)(F)F)c1ccc(OCCCN2CCCCC2)cc1 |w:5.4|
CN(C)CCC(Oc1ccc(C)cc1)c1ccc(OCCCN2CCCCC2)cc1 |w:5.4|
CC(C)N1CCN(CC1)C(=O)c1ccc(cc1)C(CCN(C)C)Oc1ccc(cc1)C(F)(F)F |w:17.19|
CN(C)CCC(Oc1ccc(cc1)[N+]([O-])=O)c1ccc(OCCCN2CCCCC2)cc1 |w:5.4|
CN(C)CCC(Oc1ccc(cc1)C(F)(F)F)c1ccc(cc1)C#CCCN1CCCCC1 |w:5.4|
CN(C)CCC(Oc1ccc(Cl)cc1)c1ccc(OCCCN2CCCCC2)cc1 |w:5.4|
COc1ccc(OC(CCN(C)C)c2ccc(OCCCN3CCCCC3)cc2)cc1 |w:7.7|
CN(C)CCC(Oc1ccc(Br)cc1)c1ccc(OCCCN2CCCCC2)cc1 |w:5.4|
CC(=O)N1CC[C@@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)[C@@H](C1)NC(=O)Nc1nc(C)c(s1)C(C)=O
CC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1
NC(=O)c1ccc2[C@H](CCN3CCN(CC3)c3cccc4cc(ccc34)C#N)OCCc2c1
C[C@@H]1CN(CCN1CC[C@@H]1OCCc2cc(ccc12)C(N)=O)c1cccc2cc(F)ccc12
C[C@H]1CN(CCN1CC[C@@H]1OCCc2cc(ccc12)C(N)=O)c1ccc2cc(F)ccc2c1
C[C@@H]1CN(CCN1CC[C@H]1OCCc2cc(ccc12)C(N)=O)c1cccc2cc(F)ccc12
C[C@H]1CN(CCN1CC[C@@H]1OCCc2cc(ccc12)C(N)=O)c1cccc2cc(ccc12)C#N
C[C@H]1CN(CCN1CC[C@H]1OCC2=CC(=CCC12)C(N)=O)c1cccc2cc(F)ccc12 |w:17.17,c:15,t:13|
C[C@H]1CN(CCN1CC[C@H]1OCC2=CC(=CCC12)C(N)=O)c1cccc2cc(ccc12)C#N |w:17.17,c:15,t:13|
NC(=O)c1ccc2[C@H](CCN3CCN(CC3)c3ccc4cc(F)ccc4c3)OCCc2c1
NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4cc(F)ccc34)OCCc2c1 |c:13|
C[C@H]1CN(CCN1CC[C@@H]1OCC2=CC(=CCC12)C(N)=O)c1cccc2cc(F)ccc12 |w:17.17,c:15,t:13|
C[C@@H]1CN(CCN1CCC1OCCc2cc(ccc12)C(N)=O)c1cccc2cc(F)ccc12 |w:9.9|
COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(cc1)C#C)N2 |TLB:11:10:19:7.6,THB:2:4:19:7.6|
COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(C)cc1)N2 |TLB:11:10:18:7.6,THB:2:4:18:7.6|
COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(C=C)cc1)N2 |TLB:11:10:19:7.6,THB:2:4:19:7.6|
COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(I)cc1)N2 |TLB:11:10:18:7.6,THB:2:4:18:7.6|
COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(C)c(F)c1)N2 |TLB:11:10:19:7.6,THB:2:4:19:7.6|
FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccc(cc1)-n1ccnc1)CN1CCOCC1
C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccsc1)CN1CCOCC1
C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cncs1)CN1CCOCC1
C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cccs1)CN1CCOCC1
C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccccn1)CN1CCCCC1
C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccsc1)CN1CCCCC1
C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccncc1)CN1CCCCC1
C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cnccn1)CN1CCOCC1
C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1nccs1)CN1CCOCC1
C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cccnc1)CN1CCOCC1
C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccc(cc1)-n1cccn1)CN1CCOCC1
C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccn[nH]1)CN1CCOCC1
C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cccs1)CN1CCCCC1
C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccccn1)CN1CCOCC1
C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cnc2ccccn12)CN1CCOCC1
C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cccnc1)CN1CCCCC1
CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN1CCCN(CC1)C(C)C
CNCc1cc(ccc1Oc1ccc(Cl)cc1)C#CCCN1CCOCC1
CNCc1cc(ccc1Oc1cccc(Cl)c1)C#CCCN1CCOCC1
CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C#CCCN(C)C1CC1
CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN1CCCCC1
CNCc1cc(ccc1Oc1ccc(cc1)C(F)(F)F)C#CCCN1CCOCC1
CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN1CCN(CC1)C1CC1
CNCc1cc(CCCCN2CCSCC2)ccc1Oc1ccc(SC)cc1
CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C#CCCN1CCSCC1
CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN1CCN(C(C)C)C(=O)C1
CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN(C)C1CC1
CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C#CCCNC1CC1
CNCc1cc(CCCCN2CCN(CC2)C(C)C)ccc1Oc1ccc(SC)cc1
CNCc1ccc(cc1Oc1ccc(SC)cc1)C#CCCN1CCOCC1
CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN1CCC(F)CC1
CNCc1cc(ccc1Oc1ccc(F)cc1Cl)C#CCCN1CCOCC1
CNCc1cc(ccc1Oc1ccc(SC)c(C)c1)C#CCCN1CCOCC1
CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCNC1CC1
CNCc1cc(ccc1Oc1ccccc1)C#CCCN1CCOCC1
CNCc1cc(ccc1Oc1ccc(Cl)c(c1)C(F)(F)F)C#CCCN1CCOCC1
CNCc1cc(CCCCN2CCN(CC2)C2CC2)ccc1Oc1ccc(SC)cc1
COc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2cc(OCCCN3CCCCC3)ccc12
CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C#CCCN1CCOCC1
CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN1CCN(CC1)C(C)C
CNCc1cc(Br)ccc1Oc1ccc(SC)cc1
CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C#CCCN1CCC(F)CC1
CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN1CCNC(=O)C1
CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN1CCSCC1
CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN1CCOCC1
CNCc1cc(ccc1Oc1cccc(F)c1)C#CCCN1CCOCC1
COc1ccc(cc1)[C@@H]1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12
CN(C)Cc1cc(F)ccc1Sc1ccc(cc1N)C#N
CN(C)Cc1cc(F)ccc1Sc1ccc(Cl)cc1N
CN(C)Cc1cc(F)ccc1Sc1ccc(C)cc1N
CN(C)Cc1cc(F)ccc1Oc1ccc(cc1N)C#N
CN(C)Cc1cc(Cl)ccc1Oc1ccc(F)cc1N
CN(C)Cc1ccccc1Oc1ccc(F)cc1N
CN(C)Cc1cc(F)ccc1Oc1ccc(C)cc1N
CC[C@H]1C[C@H]2C[C@@H]3[C@H]1N(C2)CCc1c3[nH]c2ccc(OC)cc12 |r,TLB:22:12:7:5.4.9,14:13:7:5.4.9,THB:10:8:5.6:2.3,1:2:5.6:8.9,13:6:2.3:8.9|
FCCOC(=O)C1C2CCC(CC1c1ccc(\C=C/I)cc1)N2 |w:10.9,12.13,7.24,6.5,TEB:4:6:8.9:22,13:12:8.9:22|
C[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N |r|
CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3ccc(CN4CCCCC4)cn3)ccc12 |w:8.8|
CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3cccc(CN4CCCCC4)c3)ccc12 |w:8.8|
CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3ncc(CN4CCCCC4)s3)ccc12 |w:8.8|
CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3ccc(CN4CCCCC4)cc3)ccc12 |w:8.8|
CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3ccc(CN4CCOCC4)cn3)ccc12 |w:8.8|
CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3cc(CN4CCCCC4)ccn3)ccc12 |w:8.8|
CSc1ccc(cc1)C1CN(C)Cc2cccc(Oc3ccnc(CN4CCCCC4)c3)c12 |w:8.8|
CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3cccc(CN4CCCCC4)n3)ccc12 |w:8.8|
CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3cncc(CN4CCCCC4)c3)ccc12 |w:8.8|
CSc1ccc(cc1)C1CN(C)Cc2cccc(Oc3cccc(CN4CCCCC4)c3)c12 |w:8.8|
CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3ccnc(CN4CCCCC4)c3)ccc12 |w:8.8|
CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3ccc(CN4CCCCC4)nc3)ccc12 |w:8.8|
CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3nc(CN4CCOCC4)cs3)ccc12 |w:8.8|
CSc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2cc(OCCCN3CCCCC3)ccc12
CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3ccc(CN4CCC(F)CC4)cn3)ccc12 |w:8.8|
CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3nc(CN4CCCCC4)cs3)ccc12 |w:8.8|
CSc1ccc(cc1)C1CN(C)Cc2cccc(Oc3cncc(CN4CCCCC4)c3)c12 |w:8.8|
NCCCCCCCCCCCN1CCC(CC1)c1c[nH]c2ccccc12
FC(F)(F)COC(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:8|
Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)OCc1cccs1 |t:9|
Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)N1CCCC1 |t:9|
CCN(CC)C(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:7|
Cc1cccc(OC(=O)C2=C(CCC2)c2ccc(Cl)c(Cl)c2)c1 |t:9|
Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)Oc1ccccc1 |t:9|
Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)NC1CCC1 |t:9|
CONC(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:5|
FCCNC(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:6|
Cc1ccccc1OC(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:11|
COC(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:4|
OCCOC(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:6|
CON(C)C(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:6|
FCCOC(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:6|
Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)OCc1ccco1 |t:9|
Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)OC1CCCCC1 |t:9|
Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)N1CCOCC1 |t:9|
Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)NCc1ccco1 |t:9|
Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)NCc1cccs1 |t:9|
CC(C)OC(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:6|
CNC(C)C(=O)c1ccc2OCCOc2c1
CNC(C)Cc1ccc2OCCOc2c1
CN[C@@H](C)Cc1ccc2OCCOc2c1 |r|
CN[C@H](C)Cc1ccc2OCCOc2c1 |r|
N[C@]1(C[C@H](C[C@H]1C(O)=O)C(O)=O)C(O)=O
N[C@@]1(C[C@H](C[C@H]1C(O)=O)C(O)=O)C(O)=O
N[C@]1(C[C@@H](C[C@@H]1C(O)=O)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](C[C@@H]1C(O)=O)C(O)=O)C(O)=O
CN(C)Cc1cc(OCCCF)ccc1Sc1ccccc1N
CN(C)Cc1cc(OCCCF)ccc1Sc1ccc(Br)cc1N
CN(C)Cc1cc(OCCF)ccc1Sc1ccccc1N
CN(C)Cc1cc(OCCO)ccc1Sc1ccc(F)cc1N
COc1ccc(Sc2ccccc2N)c(CN(C)C)c1
CN(C)Cc1cc(OCCF)ccc1Sc1ccc(Br)cc1N
CN(C)Cc1cc(O)ccc1Sc1ccccc1N
CN(C)Cc1cc(OCCF)ccc1Sc1ccc(Cl)cc1N
CN(C)Cc1cc(OCCCO)ccc1Sc1ccccc1N
CN(C)Cc1cc(OCCF)ccc1Sc1ccc(F)cc1N
CN(C)Cc1cc(OCCCF)ccc1Sc1ccc(F)cc1N
CN(C)Cc1cc(OCCO)ccc1Sc1ccccc1N
CN(C)Cc1cc(OCCCO)ccc1Sc1ccc(Br)cc1N
Clc1cc(Cl)cc(c1)C(=O)NCCCN1CCC(Cc2ccccc2)CC1
O=C(NCCCN1CCC(Cc2ccccc2)CC1)c1cc2ccccc2[nH]1
O=C(NCCCN1CCC(Cc2ccccc2)CC1)c1cc2ccccc2o1
O=C(NCCCN1CCC(Cc2ccccc2)CC1)c1cc2ccccc2s1
O=C(NCCCN1CCC(Cc2ccccc2)CC1)c1ccc(cc1)-c1ccccc1
O=C(NCCCN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2c1
Brc1ccc2cc(ccc2c1)C(=O)NCCCN1CCC(Cc2ccccc2)CC1
COc1ccc2cc(ccc2c1)C(=O)NCCCN1CCC(Cc2ccccc2)CC1
O=C(NCCN1CCC(Cc2ccccc2)CC1)c1ccc(cc1)-c1ccccc1
O=C(NCCN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2n1
CN(C)Cc1cc(F)ccc1Sc1ccc(CO)cc1N
CN(C)Cc1cc(I)ccc1Sc1ccc(CO)cc1N
CN(C)Cc1cc(Br)ccc1Sc1ccc(CO)cc1N
COc1ccc(CCN(C)CCN2CCCCC2)cc1
CCN(CCN1CCCCC1)CCc1cccc(OC(F)(F)F)c1
CN(CCN1CCCCC1)CCc1cccc(OC(F)(F)F)c1
CCN(CCN1CCCC1)CCc1cccc(OC(F)(F)F)c1
CN(CCN1CCCC1)CCc1cccc(OC(F)(F)F)c1
CCN(CCN1CCCCC1)CCc1ccccc1OC(F)(F)F
CN(CCN1CCCCC1)CCc1ccccc1OC(F)(F)F
CCN(CCN1CCCC1)CCc1ccccc1OC(F)(F)F
CN(CCN1CCCC1)CCc1ccccc1OC(F)(F)F
CCN(CCN1CCCCC1)CCc1ccc(OC(F)(F)F)cc1
CN(CCN1CCCCC1)CCc1ccc(OC(F)(F)F)cc1
CCN(CCN1CCCC1)CCc1ccc(OC(F)(F)F)cc1
CN(CCN1CCCC1)CCc1ccc(OC(F)(F)F)cc1
COc1cccc2CN(CCCc3c[nH]c4ccc(I)cc34)CCc12
COc1ccc2CN(CCCc3c[nH]c4ccc(I)cc34)CCc2c1
COc1cccc2CN(CCCc3c[nH]c4ccc(Br)cc34)CCc12
COc1ccc2CN(CCCc3c[nH]c4ccc(Br)cc34)CCc2c1
COc1cccc(c1)C(CN(C)C)C1(O)CCCCC1
CN(C)C[C@H](c1cccc(Cl)c1)C1(O)CCCCC1 |r|
CN(C)C[C@@H](c1cccc(Cl)c1)C1(O)CCCCC1 |r|
CN(C)CC(c1cccc(c1)C(F)(F)F)C1(O)CCCCC1
CN(C)CC(c1ccccc1Cl)C1(O)CCCCC1
CN(C)CC(c1cccc(Cl)c1)C1(O)CCCCC1
CN(C)CC(c1ccc(Cl)cc1)C1(O)CCCCC1
CN1CCN(CC(c2ccc(OC(F)(F)F)cc2)C2(O)CCCCC2)CC1
OC1(CCCCC1)[C@H](CN1CCNCC1)c1cccc(Cl)c1 |r|
OC1(CCCCC1)[C@@H](CN1CCNCC1)c1cccc(Cl)c1 |r|
OC1(CCCCC1)C(CN1CCNCC1)c1cccc(Cl)c1
CN1CCN(CC(c2cccc(Cl)c2)C2(O)CCCCC2)CC1
OC1(CCCCC1)C(CN1CCNCC1)c1ccc(Cl)cc1
CN(C)Cc1ccccc1Oc1ccc(Br)cc1
CN(C)Cc1cc(ccc1Oc1ccc(OC(F)(F)F)cc1)C(N)=O
CSc1ccc(Sc2ccc(cc2CN(C)C)S(N)(=O)=O)cc1
CN(C)Cc1cc(ccc1Cc1ccc(Cl)c(Cl)c1)C(N)=O
CCOc1ccc(Oc2ccccc2CN(C)C)cc1
CNC(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)c(CN(C)C)c1
CNCc1cc(NS(C)(=O)=O)ccc1Sc1ccc(SC)cc1
CNCc1cc(ccc1Cc1ccc(Cl)c(Cl)c1)S(N)(=O)=O
CSc1ccc(Oc2ccc(Br)cc2CN(C)C)cc1
CN(C)Cc1ccccc1Oc1ccc(cc1)C#N
CN(C)Cc1cc(ccc1Oc1ccc(OC(F)(F)F)cc1)C(=O)N(C)C
CSc1ccc(Sc2ccc(NS(C)(=O)=O)cc2CN(C)C)cc1
CN(C)Cc1cc(ccc1Cc1ccc(Cl)c(Cl)c1)S(N)(=O)=O
CNCc1cc(ccc1Cc1ccc(Cl)c(Cl)c1)C(N)=O
CN(C)Cc1ccccc1Oc1ccc(cc1)C1CC1
CN(C)Cc1cc(CNS(C)(=O)=O)ccc1Oc1ccc(OC(F)(F)F)cc1
CSc1ccc(Sc2ccc(cc2CN(C)C)N(C)S(C)(=O)=O)cc1
CN(C)Cc1cc(ccc1Sc1ccc(cc1)C(F)(F)F)S(N)(=O)=O
CN(C)Cc1ccccc1Oc1ccc(CC2CC2)cc1
CNCc1ccccc1Cc1ccc(Cl)c(Cl)c1
CN(C)Cc1cc(ccc1Oc1ccc(OC(F)(F)F)cc1)S(N)(=O)=O
CNC1CCC(c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(N)(=O)=O
CN(C)Cc1cc(ccc1Sc1cccc(c1)C(F)(F)F)S(N)(=O)=O
CSc1ccc(Oc2ccc(F)cc2CN(C)C)cc1
CN(C)Cc1cc(NS(C)(=O)=O)ccc1Oc1ccc(cc1)C(F)(F)F
CN(C)Cc1cc(ccc1S(=O)c1ccc(cc1)C(F)(F)F)S(N)(=O)=O
CSc1ccc(Oc2ccc(Cl)cc2CN(C)C)cc1
CN(C)Cc1cc(NS(C)(=O)=O)ccc1Sc1ccc(cc1)C(F)(F)F
COc1ccc(Oc2ccccc2CN(C)C)cc1
CN(C)Cc1ccccc1Oc1ccc(OC(F)(F)F)cc1
CN(C)Cc1cc(Br)ccc1Oc1ccc(cc1)C(F)(F)F
CN(C)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1
CN(C)Cc1ccccc1Oc1cccc(Cl)c1
CN(C)Cc1ccccc1Oc1ccc(Cl)cc1
CSc1ccc(Sc2ccccc2CN(C)C)cc1
CN(C)Cc1ccccc1Sc1cccc(Cl)c1
CN(C)Cc1ccccc1Sc1ccc(Cl)cc1
CN(C)Cc1ccccc1Sc1cccc(c1)C(F)(F)F
CN(C)Cc1ccccc1Sc1ccc(cc1)C(F)(F)F
CNCc1ccccc1Sc1ccc(cc1)C(F)(F)F
CSc1ccc(Cc2ccccc2CN(C)C)cc1
CNCc1ccccc1Cc1ccc(SC)cc1
CN(C)Cc1ccccc1Cc1ccc(OC(F)(F)F)cc1
CN(C)Cc1ccccc1C(=O)c1ccc(Cl)c(Cl)c1
COC(c1ccc(Cl)c(Cl)c1)c1ccccc1CN(C)C
CN(C)Cc1ccccc1C(O)c1ccc(Cl)c(Cl)c1
CC(c1ccc(Cl)c(Cl)c1)c1ccccc1CN(C)C
CN(C)Cc1ccccc1Cc1ccc(Cl)c(Cl)c1
Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4ccccc34)c2c1 |r,wU:8.7,11.14,(31.37,-43.73,;31.67,-45.24,;33.14,-45.73,;33.44,-47.25,;32.29,-48.26,;32.27,-49.8,;30.8,-50.26,;29.91,-49.01,;28.36,-48.99,;27.6,-47.65,;26.05,-47.63,;25.28,-48.96,;26.04,-50.31,;27.58,-50.32,;23.74,-48.95,;22.96,-50.28,;21.42,-50.27,;20.66,-48.94,;21.44,-47.6,;22.98,-47.6,;19.11,-48.93,;18.34,-50.26,;16.81,-50.26,;16.03,-48.91,;16.81,-47.58,;16.06,-46.25,;16.83,-44.93,;18.37,-44.93,;19.13,-46.27,;18.35,-47.59,;30.82,-47.76,;30.52,-46.26,)|
N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4nccnc34)c2c1 |r,wU:9.8,wD:12.15,(12.55,-43.28,;12.96,-44.78,;13.27,-46.29,;14.73,-46.78,;15.03,-48.29,;13.88,-49.31,;13.86,-50.84,;12.39,-51.3,;11.5,-50.05,;9.96,-50.04,;9.18,-51.36,;7.64,-51.35,;6.89,-50,;7.66,-48.68,;9.2,-48.69,;5.35,-49.99,;4.57,-51.32,;3.03,-51.31,;2.27,-49.98,;3.05,-48.65,;4.59,-48.65,;.73,-49.97,;-.04,-51.3,;-1.57,-51.3,;-2.34,-49.96,;-1.56,-48.63,;-2.32,-47.3,;-1.55,-45.98,;-.01,-45.98,;.75,-47.32,;-.03,-48.64,;12.42,-48.81,;12.12,-47.31,)|
N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4nccnc34)c2c1 |r,wU:9.8,12.15,(-5.41,-44.52,;-5,-46.02,;-4.7,-47.53,;-3.23,-48.02,;-2.93,-49.53,;-4.08,-50.54,;-4.1,-52.08,;-5.57,-52.54,;-6.46,-51.29,;-8,-51.27,;-8.76,-49.93,;-10.3,-49.91,;-11.07,-51.24,;-10.32,-52.58,;-8.78,-52.6,;-12.62,-51.23,;-13.4,-52.56,;-14.94,-52.55,;-15.69,-51.21,;-14.91,-49.88,;-13.38,-49.89,;-17.23,-51.21,;-18,-52.54,;-19.55,-52.53,;-20.32,-51.19,;-19.52,-49.86,;-20.29,-48.54,;-19.52,-47.21,;-17.98,-47.22,;-17.23,-48.55,;-17.99,-49.87,;-5.54,-50.04,;-5.84,-48.54,)|
N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4cccnc34)c2c1 |r,wU:12.15,wD:9.8,(34.65,-31.84,;35.06,-33.34,;35.37,-34.85,;36.83,-35.34,;37.13,-36.85,;35.98,-37.86,;35.96,-39.4,;34.49,-39.86,;33.6,-38.61,;32.06,-38.59,;31.3,-37.25,;29.76,-37.23,;28.98,-38.56,;29.74,-39.91,;31.27,-39.92,;27.44,-38.55,;26.67,-39.88,;25.13,-39.87,;24.37,-38.54,;25.14,-37.21,;26.68,-37.21,;22.83,-38.53,;22.06,-39.86,;20.52,-39.86,;19.75,-38.51,;20.53,-37.18,;19.77,-35.86,;20.54,-34.53,;22.08,-34.54,;22.84,-35.87,;22.06,-37.2,;34.52,-37.37,;34.22,-35.86,)|
N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4cccnc34)c2c1 |r,wU:9.8,12.15,(14.01,-32.59,;14.42,-34.09,;14.73,-35.6,;16.19,-36.09,;16.49,-37.6,;15.34,-38.61,;15.33,-40.15,;13.85,-40.61,;12.96,-39.36,;11.42,-39.34,;10.66,-38,;9.12,-37.98,;8.35,-39.31,;9.1,-40.66,;10.64,-40.67,;6.81,-39.3,;6.03,-40.63,;4.49,-40.62,;3.73,-39.29,;4.51,-37.96,;6.04,-37.96,;2.19,-39.28,;1.42,-40.61,;-.12,-40.61,;-.89,-39.26,;-.11,-37.93,;-.87,-36.61,;-.1,-35.28,;1.44,-35.29,;2.2,-36.62,;1.43,-37.95,;13.88,-38.12,;13.58,-36.61,)|
Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4cccnc34)c2c1 |r,wU:8.7,wD:11.14,(-6.13,-34.96,;-5.82,-36.47,;-4.36,-36.96,;-4.06,-38.47,;-5.21,-39.48,;-5.23,-41.01,;-6.7,-41.47,;-7.59,-40.23,;-9.13,-40.21,;-9.91,-41.54,;-11.45,-41.52,;-12.21,-40.18,;-11.44,-38.85,;-9.89,-38.87,;-13.75,-40.17,;-14.53,-41.5,;-16.07,-41.48,;-16.82,-40.15,;-16.04,-38.82,;-14.51,-38.82,;-18.36,-40.14,;-19.13,-41.48,;-20.68,-41.47,;-21.45,-40.13,;-20.65,-38.8,;-21.42,-37.47,;-20.65,-36.15,;-19.11,-36.16,;-18.36,-37.49,;-19.12,-38.81,;-6.67,-38.98,;-6.97,-37.48,)|
Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4cccnc34)c2c1 |r,wU:8.7,11.14,(35.4,-23.67,;35.71,-25.18,;37.17,-25.67,;37.47,-27.18,;36.32,-28.2,;36.3,-29.73,;34.83,-30.19,;33.94,-28.94,;32.4,-28.93,;31.64,-27.59,;30.1,-27.57,;29.33,-28.9,;30.08,-30.24,;31.62,-30.25,;27.79,-28.89,;27.01,-30.22,;25.47,-30.2,;24.71,-28.87,;25.49,-27.54,;27.02,-27.54,;23.17,-28.86,;22.4,-30.19,;20.86,-30.19,;20.09,-28.85,;20.87,-27.52,;20.12,-26.19,;20.88,-24.87,;22.43,-24.87,;23.18,-26.21,;22.41,-27.53,;34.86,-27.7,;34.56,-26.2,)|
N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4ncccc34)c2c1 |r,wU:9.8,wD:12.15,(17.07,-23.33,;17.49,-24.83,;17.79,-26.34,;19.26,-26.83,;19.56,-28.34,;18.4,-29.36,;18.39,-30.89,;16.92,-31.35,;16.03,-30.1,;14.49,-30.09,;13.7,-31.41,;12.17,-31.4,;11.41,-30.06,;12.18,-28.73,;13.73,-28.75,;9.87,-30.05,;9.09,-31.38,;7.55,-31.36,;6.79,-30.03,;7.57,-28.7,;9.11,-28.7,;5.25,-30.02,;4.49,-31.35,;2.95,-31.35,;2.18,-30.01,;2.96,-28.68,;2.2,-27.35,;2.97,-26.03,;4.51,-26.03,;5.27,-27.37,;4.49,-28.69,;16.95,-28.86,;16.64,-27.36,)|
N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4ncccc34)c2c1 |r,wU:9.8,12.15,(-1.16,-24.06,;-.75,-25.56,;-.44,-27.07,;1.03,-27.57,;1.33,-29.08,;.17,-30.09,;.16,-31.62,;-1.31,-32.08,;-2.2,-30.84,;-3.74,-30.82,;-4.5,-29.48,;-6.05,-29.46,;-6.82,-30.79,;-6.06,-32.13,;-4.53,-32.15,;-8.36,-30.78,;-9.14,-32.11,;-10.68,-32.1,;-11.44,-30.76,;-10.66,-29.43,;-9.12,-29.43,;-12.98,-30.75,;-13.75,-32.09,;-15.3,-32.08,;-16.07,-30.74,;-15.27,-29.41,;-16.04,-28.08,;-15.27,-26.76,;-13.73,-26.77,;-12.98,-28.1,;-13.74,-29.42,;-1.29,-29.59,;-1.59,-28.09,)|
Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4ncccc34)c2c1 |r,wU:8.7,wD:11.14,(34.61,-14.19,;34.91,-15.7,;36.38,-16.2,;36.68,-17.71,;35.52,-18.72,;35.51,-20.25,;34.04,-20.71,;33.15,-19.47,;31.61,-19.45,;30.82,-20.78,;29.29,-20.76,;28.53,-19.42,;29.3,-18.09,;30.85,-18.11,;26.99,-19.41,;26.21,-20.74,;24.67,-20.73,;23.91,-19.39,;24.69,-18.06,;26.23,-18.06,;22.37,-19.38,;21.61,-20.72,;20.07,-20.71,;19.3,-19.37,;20.08,-18.04,;19.32,-16.71,;20.09,-15.39,;21.63,-15.4,;22.39,-16.73,;21.61,-18.05,;34.07,-18.22,;33.76,-16.72,)|
Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4ncccc34)c2c1 |r,wU:8.7,11.14,(15.69,-14.56,;15.99,-16.07,;17.46,-16.56,;17.76,-18.07,;16.6,-19.08,;16.59,-20.62,;15.12,-21.08,;14.23,-19.83,;12.69,-19.81,;11.93,-18.47,;10.38,-18.45,;9.61,-19.78,;10.37,-21.12,;11.9,-21.14,;8.07,-19.77,;7.29,-21.1,;5.75,-21.09,;5,-19.76,;5.77,-18.43,;7.31,-18.43,;3.45,-19.75,;2.69,-21.08,;1.15,-21.08,;.38,-19.73,;1.16,-18.4,;.4,-17.08,;1.17,-15.75,;2.71,-15.76,;3.47,-17.09,;2.69,-18.41,;15.15,-18.59,;14.84,-17.08,)|
FC(F)(F)c1nc2c(cccc2[nH]1)N1CCN(CC1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccccc12 |r,wU:22.28,wD:19.21,(-16.45,-13.54,;-16.45,-15.09,;-14.9,-15.09,;-17.99,-15.1,;-16.45,-16.63,;-15.2,-17.55,;-15.68,-19.01,;-14.93,-20.36,;-15.7,-21.69,;-17.26,-21.69,;-18.02,-20.34,;-17.23,-19,;-17.71,-17.53,;-13.38,-20.36,;-12.63,-21.7,;-11.08,-21.71,;-10.3,-20.38,;-11.07,-19.03,;-12.61,-19.03,;-8.76,-20.39,;-8,-21.73,;-6.47,-21.75,;-5.68,-20.42,;-6.44,-19.07,;-7.99,-19.06,;-4.14,-20.43,;-3.25,-21.68,;-1.79,-21.22,;-1.78,-19.69,;-.63,-18.68,;-.93,-17.18,;-2.39,-16.69,;-3.53,-17.7,;-3.23,-19.19,)|
FC(F)(F)c1nc2c(cccc2[nH]1)N1CCN(CC1)[C@H]1CC[C@H](CC1)c1c[nH]c2ccccc12 |r,wU:19.21,22.28,(18.54,-3.2,;18.56,-4.75,;20.1,-4.75,;17.01,-4.76,;18.55,-6.29,;19.79,-7.21,;19.3,-8.67,;20.07,-10.01,;19.29,-11.34,;17.75,-11.34,;16.98,-9.99,;17.76,-8.66,;17.29,-7.19,;21.6,-10.02,;22.36,-11.35,;23.91,-11.36,;24.68,-10.03,;23.92,-8.69,;22.38,-8.69,;26.22,-10.04,;27,-8.71,;28.55,-8.73,;29.31,-10.07,;28.52,-11.4,;26.98,-11.39,;30.84,-10.09,;31.73,-11.33,;33.19,-10.87,;33.2,-9.35,;34.35,-8.34,;34.05,-6.84,;32.59,-6.35,;31.45,-7.36,;31.75,-8.85,)|
Cc1nc2c(cccc2[nH]1)N1CCN(CC1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccccc12 |r,wU:19.25,wD:16.18,(-.68,-4.45,;-.69,-6,;.55,-6.91,;.07,-8.37,;.83,-9.72,;.06,-11.05,;-1.49,-11.05,;-2.25,-9.7,;-1.47,-8.37,;-1.94,-6.9,;2.37,-9.72,;3.13,-11.06,;4.67,-11.07,;5.45,-9.74,;4.69,-8.39,;3.15,-8.39,;6.99,-9.75,;7.75,-11.09,;9.28,-11.11,;10.07,-9.78,;9.31,-8.43,;7.76,-8.42,;11.6,-9.79,;12.49,-11.04,;13.95,-10.58,;13.96,-9.05,;15.11,-8.04,;14.81,-6.54,;13.36,-6.05,;12.21,-7.06,;12.52,-8.56,)|
Cc1nc2c(cccc2[nH]1)N1CCN(CC1)[C@H]1CC[C@H](CC1)c1c[nH]c2ccccc12 |r,wU:16.18,19.25,(-18.8,-3.58,;-18.81,-5.12,;-17.56,-6.03,;-18.04,-7.5,;-17.29,-8.84,;-18.06,-10.17,;-19.61,-10.17,;-20.38,-8.82,;-19.58,-7.49,;-20.06,-6.02,;-15.74,-8.85,;-14.99,-10.18,;-13.44,-10.19,;-12.66,-8.86,;-13.43,-7.52,;-14.96,-7.51,;-11.12,-8.87,;-10.34,-7.54,;-8.79,-7.56,;-8.03,-8.9,;-8.82,-10.23,;-10.36,-10.22,;-6.5,-8.92,;-5.61,-10.16,;-4.14,-9.7,;-4.13,-8.17,;-2.99,-7.17,;-3.29,-5.66,;-4.74,-5.18,;-5.89,-6.19,;-5.59,-7.68,)|
C1C[C@@H](CC[C@H]1N1CCN(CC1)c1cccc2[nH]cnc12)c1c[nH]c2ccccc12 |r,wU:2.24,wD:5.6,(32.34,.92,;33.88,.91,;34.67,2.24,;33.9,3.58,;32.36,3.6,;31.58,2.27,;30.04,2.28,;29.26,.94,;27.72,.96,;26.96,2.29,;27.74,3.63,;29.28,3.62,;25.42,2.3,;24.65,.97,;23.1,.97,;22.33,2.32,;23.11,3.65,;22.65,5.12,;23.9,6.02,;25.14,5.11,;24.66,3.64,;36.2,2.22,;37.09,.98,;38.55,1.44,;38.56,2.97,;39.71,3.97,;39.41,5.48,;37.95,5.96,;36.81,4.95,;37.11,3.46,)|
C1C[C@H](CC[C@H]1N1CCN(CC1)c1cccc2[nH]cnc12)c1c[nH]c2ccccc12 |r,wU:5.6,2.24,(12.86,2.98,;14.41,2.97,;15.17,1.62,;14.38,.29,;12.84,.31,;12.08,1.65,;10.54,1.66,;9.76,.33,;8.22,.34,;7.46,1.68,;8.24,3.01,;9.78,3.01,;5.92,1.68,;5.15,.35,;3.6,.35,;2.84,1.7,;3.62,3.03,;3.15,4.5,;4.4,5.4,;5.65,4.49,;5.16,3.02,;16.7,1.61,;17.59,.36,;19.06,.82,;19.07,2.35,;20.21,3.36,;19.91,4.86,;18.46,5.35,;17.31,4.34,;17.61,2.84,)|
CC(C)n1cc([C@@H]2CC[C@@H](CC2)N2CCN(CC2)c2cccc3[nH]ccc23)c2cc(ccc12)C#N |r,wU:9.12,6.5,(-3.33,-24.68,;-4.73,-24.04,;-4.88,-22.51,;-5.99,-24.94,;-7.45,-24.44,;-8.36,-25.68,;-9.89,-25.67,;-10.65,-24.32,;-12.21,-24.31,;-12.99,-25.64,;-12.22,-26.98,;-10.68,-26.99,;-14.52,-25.62,;-15.29,-26.95,;-16.83,-26.94,;-17.58,-25.61,;-16.81,-24.28,;-15.28,-24.28,;-19.13,-25.61,;-19.89,-24.27,;-21.42,-24.26,;-22.21,-25.59,;-21.45,-26.93,;-21.92,-28.4,;-20.67,-29.31,;-19.41,-28.4,;-19.9,-26.93,;-7.47,-26.93,;-7.81,-28.42,;-6.68,-29.46,;-5.21,-29,;-4.88,-27.51,;-6,-26.48,;-7.02,-30.96,;-7.43,-32.45,)|
CCCn1cc([C@H]2CC[C@@H](CC2)N2CCN(CC2)c2cccc3[nH]ccc23)c2cc(ccc12)C#N |r,wU:6.5,wD:9.12,(39.98,-12.38,;38.72,-13.27,;37.32,-12.63,;36.06,-13.52,;34.6,-13.03,;33.69,-14.27,;32.15,-14.25,;31.37,-15.58,;29.84,-15.56,;29.08,-14.22,;29.85,-12.89,;31.4,-12.91,;27.54,-14.21,;26.76,-15.54,;25.22,-15.53,;24.46,-14.2,;25.24,-12.87,;26.78,-12.87,;22.93,-14.19,;22.17,-12.85,;20.63,-12.84,;19.85,-14.17,;20.61,-15.52,;20.14,-16.99,;21.39,-17.9,;22.64,-16.99,;22.16,-15.52,;34.58,-15.51,;34.24,-17,;35.37,-18.05,;36.84,-17.59,;37.17,-16.09,;36.05,-15.06,;35.03,-19.55,;34.62,-21.03,)|
CCCn1cc([C@@H]2CC[C@@H](CC2)N2CCN(CC2)c2cccc3[nH]ccc23)c2cc(ccc12)C#N |r,wU:9.12,6.5,(39.98,-12.38,;38.72,-13.27,;37.32,-12.63,;36.06,-13.52,;34.6,-13.03,;33.69,-14.27,;32.15,-14.25,;31.4,-12.91,;29.85,-12.89,;29.08,-14.22,;29.84,-15.56,;31.37,-15.58,;27.54,-14.21,;26.76,-15.54,;25.22,-15.53,;24.46,-14.2,;25.24,-12.87,;26.78,-12.87,;22.93,-14.19,;22.17,-12.85,;20.63,-12.84,;19.85,-14.17,;20.61,-15.52,;20.14,-16.99,;21.39,-17.9,;22.64,-16.99,;22.16,-15.52,;34.58,-15.51,;34.24,-17,;35.37,-18.05,;36.84,-17.59,;37.17,-16.09,;36.05,-15.06,;35.03,-19.55,;34.62,-21.03,)|
CCn1cc([C@H]2CC[C@@H](CC2)N2CCN(CC2)c2cccc3[nH]ccc23)c2cc(ccc12)C#N |r,wU:5.4,wD:8.11,(16.98,-13.21,;15.58,-12.57,;14.32,-13.46,;12.86,-12.97,;11.95,-14.21,;10.41,-14.19,;9.63,-15.52,;8.09,-15.5,;7.34,-14.16,;8.11,-12.83,;9.66,-12.85,;5.8,-14.15,;5.02,-15.48,;3.48,-15.47,;2.72,-14.13,;3.5,-12.8,;5.04,-12.81,;1.19,-14.13,;.43,-12.79,;-1.11,-12.78,;-1.89,-14.11,;-1.13,-15.46,;-1.6,-16.93,;-.35,-17.84,;.9,-16.93,;.42,-15.46,;12.84,-15.45,;12.5,-16.94,;13.63,-17.99,;15.1,-17.52,;15.43,-16.03,;14.31,-15,;13.29,-19.49,;12.88,-20.97,)|
CCn1cc([C@@H]2CC[C@@H](CC2)N2CCN(CC2)c2cccc3[nH]ccc23)c2cc(ccc12)C#N |r,wU:8.11,5.4,(16.98,-13.21,;15.58,-12.57,;14.32,-13.46,;12.86,-12.97,;11.95,-14.21,;10.41,-14.19,;9.66,-12.85,;8.11,-12.83,;7.34,-14.16,;8.09,-15.5,;9.63,-15.52,;5.8,-14.15,;5.02,-15.48,;3.48,-15.47,;2.72,-14.13,;3.5,-12.8,;5.04,-12.81,;1.19,-14.13,;.43,-12.79,;-1.11,-12.78,;-1.89,-14.11,;-1.13,-15.46,;-1.6,-16.93,;-.35,-17.84,;.9,-16.93,;.42,-15.46,;12.84,-15.45,;12.5,-16.94,;13.63,-17.99,;15.1,-17.52,;15.43,-16.03,;14.31,-15,;13.29,-19.49,;12.88,-20.97,)|
Cn1cc([C@H]2CC[C@@H](CC2)N2CCN(CC2)c2cccc3[nH]ccc23)c2cc(ccc12)C#N |r,wU:4.3,wD:7.10,(-3.26,-11.23,;-4.52,-12.12,;-5.98,-11.63,;-6.89,-12.87,;-8.43,-12.85,;-9.21,-14.18,;-10.74,-14.16,;-11.52,-12.82,;-10.73,-11.49,;-9.18,-11.51,;-13.05,-12.81,;-13.82,-14.14,;-15.37,-14.13,;-16.12,-12.79,;-15.34,-11.46,;-13.81,-11.47,;-17.66,-12.79,;-18.42,-11.45,;-19.95,-11.44,;-20.74,-12.77,;-19.98,-14.12,;-20.45,-15.59,;-19.2,-16.49,;-17.94,-15.58,;-18.43,-14.12,;-6,-14.11,;-6.34,-15.6,;-5.21,-16.64,;-3.74,-16.18,;-3.41,-14.69,;-4.53,-13.66,;-5.55,-18.15,;-5.96,-19.63,)|
Cn1cc([C@@H]2CC[C@@H](CC2)N2CCN(CC2)c2cccc3[nH]ccc23)c2cc(ccc12)C#N |r,wU:7.10,4.3,(-3.26,-11.23,;-4.52,-12.12,;-5.98,-11.63,;-6.89,-12.87,;-8.43,-12.85,;-9.18,-11.51,;-10.73,-11.49,;-11.52,-12.82,;-10.74,-14.16,;-9.21,-14.18,;-13.05,-12.81,;-13.82,-14.14,;-15.37,-14.13,;-16.12,-12.79,;-15.34,-11.46,;-13.81,-11.47,;-17.66,-12.79,;-18.42,-11.45,;-19.95,-11.44,;-20.74,-12.77,;-19.98,-14.12,;-20.45,-15.59,;-19.2,-16.49,;-17.94,-15.58,;-18.43,-14.12,;-6,-14.11,;-6.34,-15.6,;-5.21,-16.64,;-3.74,-16.18,;-3.41,-14.69,;-4.53,-13.66,;-5.55,-18.15,;-5.96,-19.63,)|
N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4[nH]ccc34)c2c1 |r,wU:9.8,wD:12.15,(31.78,-11.65,;32.19,-10.16,;32.53,-8.66,;33.99,-8.2,;34.33,-6.71,;33.2,-5.67,;33.22,-4.13,;31.76,-3.64,;30.84,-4.88,;29.31,-4.86,;28.52,-6.19,;26.99,-6.18,;26.23,-4.83,;27.01,-3.5,;28.55,-3.52,;24.7,-4.82,;23.92,-6.15,;22.38,-6.14,;21.62,-4.81,;22.4,-3.48,;23.93,-3.48,;20.08,-4.8,;19.32,-3.46,;17.78,-3.45,;17,-4.78,;17.77,-6.13,;17.29,-7.6,;18.54,-8.51,;19.79,-7.6,;19.31,-6.13,;31.74,-6.12,;31.4,-7.62,)|
N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4[nH]ccc34)c2c1 |r,wU:12.15,9.8,(31.78,-11.65,;32.19,-10.16,;32.53,-8.66,;33.99,-8.2,;34.33,-6.71,;33.2,-5.67,;33.22,-4.13,;31.76,-3.64,;30.84,-4.88,;29.31,-4.86,;28.55,-3.52,;27.01,-3.5,;26.23,-4.83,;26.99,-6.18,;28.52,-6.19,;24.7,-4.82,;23.92,-6.15,;22.38,-6.14,;21.62,-4.81,;22.4,-3.48,;23.93,-3.48,;20.08,-4.8,;19.32,-3.46,;17.78,-3.45,;17,-4.78,;17.77,-6.13,;17.29,-7.6,;18.54,-8.51,;19.79,-7.6,;19.31,-6.13,;31.74,-6.12,;31.4,-7.62,)|
Fc1ccc2c(c[nH]c2c1)[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1cccc2[nH]ccc12 |r,wU:13.18,10.11,(20.51,-14.6,;19.37,-13.55,;17.91,-14.01,;16.78,-12.97,;17.12,-11.48,;16.22,-10.23,;17.14,-9,;18.6,-9.49,;18.58,-11.03,;19.71,-12.06,;14.69,-10.22,;13.93,-8.88,;12.38,-8.86,;11.61,-10.19,;12.37,-11.53,;13.9,-11.54,;10.07,-10.18,;9.29,-11.51,;7.75,-11.49,;7,-10.16,;7.77,-8.83,;9.31,-8.83,;5.46,-10.16,;4.7,-8.82,;3.16,-8.81,;2.38,-10.14,;3.14,-11.49,;2.67,-12.96,;3.92,-13.86,;5.17,-12.95,;4.69,-11.48,)|
Cn1cc([C@H]2CC[C@@H](CC2)N2CCN(CC2)c2cccc3[nH]ccc23)c2cc(F)ccc12 |r,wU:4.3,wD:7.10,(34.32,5.15,;33.06,4.26,;31.6,4.75,;30.68,3.52,;29.15,3.53,;28.36,2.2,;26.83,2.22,;26.07,3.56,;26.85,4.89,;28.39,4.87,;24.53,3.57,;23.76,2.24,;22.22,2.26,;21.46,3.59,;22.24,4.92,;23.77,4.92,;19.92,3.59,;19.16,4.93,;17.62,4.94,;16.84,3.61,;17.61,2.26,;17.13,.79,;18.38,-.11,;19.63,.8,;19.15,2.26,;31.58,2.27,;31.24,.78,;32.36,-.26,;32.03,-1.77,;33.83,.2,;34.17,1.69,;33.04,2.72,)|
Cn1cc([C@@H]2CC[C@@H](CC2)N2CCN(CC2)c2cccc3[nH]ccc23)c2cc(F)ccc12 |r,wU:7.10,4.3,(34.32,5.15,;33.06,4.26,;31.6,4.75,;30.68,3.52,;29.15,3.53,;28.39,4.87,;26.85,4.89,;26.07,3.56,;26.83,2.22,;28.36,2.2,;24.53,3.57,;23.76,2.24,;22.22,2.26,;21.46,3.59,;22.24,4.92,;23.77,4.92,;19.92,3.59,;19.16,4.93,;17.62,4.94,;16.84,3.61,;17.61,2.26,;17.13,.79,;18.38,-.11,;19.63,.8,;19.15,2.26,;31.58,2.27,;31.24,.78,;32.36,-.26,;32.03,-1.77,;33.83,.2,;34.17,1.69,;33.04,2.72,)|
C1C[C@@H](CC[C@H]1N1CCN(CC1)c1cccc2[nH]ccc12)c1c[nH]c2ccccc12 |r,wU:2.24,wD:5.6,(8.81,1.57,;10.35,1.56,;11.13,2.89,;10.37,4.23,;8.83,4.24,;8.05,2.92,;6.52,2.93,;5.74,1.6,;4.2,1.61,;3.44,2.94,;4.22,4.27,;5.75,4.27,;1.9,2.95,;1.14,4.29,;-.4,4.3,;-1.18,2.97,;-.41,1.62,;-.89,.15,;.36,-.76,;1.61,.15,;1.13,1.62,;12.66,2.87,;13.58,4.11,;15.04,3.62,;15.03,2.08,;16.15,1.04,;15.82,-.45,;14.35,-.91,;13.22,.13,;13.56,1.62,)|
C1C[C@H](CC[C@H]1N1CCN(CC1)c1cccc2[nH]ccc12)c1c[nH]c2ccccc12 |r,wU:5.6,2.24,(8.83,4.24,;10.37,4.23,;11.13,2.89,;10.35,1.56,;8.81,1.57,;8.05,2.92,;6.52,2.93,;5.74,1.6,;4.2,1.61,;3.44,2.94,;4.22,4.27,;5.75,4.27,;1.9,2.95,;1.14,4.29,;-.4,4.3,;-1.18,2.97,;-.41,1.62,;-.89,.15,;.36,-.76,;1.61,.15,;1.13,1.62,;12.66,2.87,;13.58,4.11,;15.04,3.62,;15.03,2.08,;16.15,1.04,;15.82,-.45,;14.35,-.91,;13.22,.13,;13.56,1.62,)|
Fc1ccc(cc1)C(=O)CCCN1CCCN(CC1)c1ccc(Cl)cc1
CC(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1 |r|
CC(C)OC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
CCOC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
COC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
CC(C)C(=O)N(Cc1ccccc1Oc1ccccc1)[C@H]1CCNC1 |r|
CSc1ccccc1CN([C@H]1CCNC1)C(=O)C(C)C |r|
CC(C)C(=O)N(Cc1ccccc1C(F)(F)F)[C@H]1CCNC1 |r|
CC(C)C(=O)N(Cc1ccccc1C1CC1)[C@H]1CCNC1 |r|
CC(C)C(=O)N(Cc1ccccc1C(C)C)[C@H]1CCNC1 |r|
CC(C)CC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
CC(C)C(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
CCCC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
CCC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
CC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
O=CN(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
C(N[C@H]1CCNC1)c1ccccc1-c1ccccc1 |r|
CS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@@H]1CCNC1 |r|
CCOC(=O)N(Cc1ccccc1-c1ccccc1)[C@@H]1CCNC1 |r|
CCS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCN(C)C1 |r|
CN1CC[C@@H](C1)N(Cc1ccccc1-c1ccccc1)S(C)(=O)=O |r|
CN(C)S(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
CS(=O)(=O)N(Cc1ccccc1Oc1ccccc1)[C@H]1CCNC1 |r|
CSc1ccccc1CN([C@H]1CCNC1)S(C)(=O)=O |r|
CS(=O)(=O)N(Cc1ccccc1C(F)(F)F)[C@H]1CCNC1 |r|
FC(F)(F)S(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
CC(C)S(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
CCCS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
CCS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
CS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
CN(C)C(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
CCOC(=O)N(Cc1ccccc1Oc1ccccc1)[C@H]1CCNC1 |r|
CCOC(=O)N(Cc1ccccc1SC)[C@H]1CCNC1 |r|
CCOC(=O)N(Cc1ccccc1C(F)(F)F)[C@H]1CCNC1 |r|
CCOC(=O)N(Cc1ccccc1C(C)C)[C@H]1CCNC1 |r|
CC(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@@H]1CCNC1 |r|
CC(C)C(=O)N(Cc1ccc(F)cc1F)[C@H]1CCNC1 |r|
CC(C)C(=O)N(Cc1ccc(F)cc1Cl)[C@H]1CCNC1 |r|
CC(C)C(=O)N(Cc1ccc(cc1F)C(F)(F)F)[C@H]1CCNC1 |r|
CC(C)C(=O)N(Cc1cc(Cl)cc(Cl)c1Cl)[C@H]1CCNC1 |r|
CC(C)C(=O)N(Cc1ccc(Cl)c(Cl)c1Cl)[C@H]1CCNC1 |r|
CC(C)C(=O)N(Cc1ccccc1Cl)[C@H]1CCNC1 |r|
Clc1cccc(CN([C@H]2CCNC2)C(=O)C2CCOCC2)c1Cl |r|
CC(C)(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1 |r|
CC(C)CC(=O)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1 |r|
Clc1ccc(CN([C@H]2CCNC2)C(=O)c2ccccc2)c(Cl)c1 |r|
Clc1ccc(CN([C@H]2CCNC2)C(=O)C2CCC2)c(Cl)c1 |r|
Clc1ccc(CN([C@H]2CCNC2)C(=O)C2CC2)c(Cl)c1 |r|
CC(C)(C)CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1 |r|
CC(C)(C)C(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1 |r|
CC(C)CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1 |r|
CC(C)C(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1 |r|
CCCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1 |r|
CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1 |r|
CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1 |r|
FCCCOc1ccc2CN(CCc2c1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(cc12)C#N |r,wU:18.23,wD:15.16,(32.71,-15.26,;32.72,-13.72,;31.38,-12.95,;31.39,-11.41,;30.05,-10.64,;28.72,-11.4,;28.71,-12.95,;27.38,-13.71,;26.06,-12.93,;24.73,-13.7,;23.4,-12.92,;23.39,-11.39,;24.73,-10.62,;26.07,-11.4,;27.39,-10.64,;22.07,-13.7,;20.73,-12.93,;19.39,-13.7,;19.4,-15.23,;20.74,-16.01,;22.07,-15.24,;18.07,-16,;17.91,-17.55,;16.4,-17.88,;15.62,-16.54,;14.11,-16.22,;13.63,-14.76,;14.66,-13.61,;16.16,-13.92,;16.65,-15.38,;14.17,-12.15,;13.69,-10.68,)|
FCCCOc1ccc2CN(CCc2c1)[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)C#N |r,wU:15.16,18.23,(10.45,-15.31,;10.45,-13.77,;9.11,-13,;9.12,-11.46,;7.78,-10.69,;6.45,-11.46,;6.45,-13,;5.11,-13.76,;3.79,-12.99,;2.46,-13.76,;1.13,-12.98,;1.13,-11.45,;2.47,-10.68,;3.8,-11.45,;5.13,-10.69,;-.2,-13.75,;-.2,-15.29,;-1.53,-16.06,;-2.87,-15.28,;-2.88,-13.76,;-1.54,-12.98,;-4.2,-16.06,;-4.35,-17.6,;-5.87,-17.93,;-6.65,-16.59,;-8.16,-16.28,;-8.64,-14.82,;-7.61,-13.66,;-6.11,-13.97,;-5.62,-15.43,;-8.09,-12.2,;-8.58,-10.74,)|
CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1c(F)cccc1C(F)(F)F |r|
CCc1cccc(F)c1O[C@@H]1[C@H](CNC)OCc2ccccc12 |r|
CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1c(C)cccc1F |r|
CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1cc(F)ccc1C |r|
CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1ccc(F)cc1C |r|
CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1cccc(Cl)c1C |r|
CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1cccc(F)c1C |r|
CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1ccccc1C(F)(F)F |r|
CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1ccccc1SC |r|
CNC[C@H]1OCc2ccccc2[C@@H]1Oc1ccccc1SC |r|
CCOc1ccccc1O[C@@H]1[C@@H](CNC)OCc2ccccc12 |r|
CNC[C@H]1OCc2ccccc2[C@@H]1Oc1ccccc1OC |r|
CCc1ccccc1O[C@@H]1[C@@H](CNC)OCc2ccccc12 |r|
CCc1ccccc1O[C@@H]1[C@H](CNC)OCc2ccccc12 |r|
CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1ccccc1F |r|
CNC[C@H]1CCc2ccccc2[C@@H]1Oc1ccccc1C |r|
CNC[C@H]1OCc2ccccc2[C@@H]1Oc1ccccc1C |r|
CNC[C@H]1OCc2ccccc2[C@@H]1Oc1ccccc1Cl |r|
CNC[C@H]1CS(=O)(=O)c2ccccc2[C@@H]1Oc1ccccc1C |r|
CNC[C@H]1CSc2ccccc2[C@@H]1Oc1ccccc1C |r|
CNC[C@H]1COc2ccccc2[C@@H]1Oc1ccccc1C |r|
CNC[C@@H]1CCc2ccccc2[C@@H]1Oc1ccccc1C |r|
CNC[C@@H]1SCc2ccccc2[C@@H]1Oc1ccccc1Cl |r|
Cc1ccccc1O[C@@H]1[C@H](CN)OCc2ccccc12 |r|
CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1ccccc1Cl |r|
CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1ccccc1C |r|
CNC[C@@H]1CSc2ccccc2[C@@H]1Oc1ccccc1Cl |r|
Cc1ccccc1O[C@@H]1[C@H](CN)COc2ccccc12 |r|
CNC[C@@H]1COc2ccccc2[C@@H]1Oc1ccccc1C |r|
CN(C)C[C@@H]1COc2ccccc2[C@@H]1Oc1ccccc1C |r|
CNC[C@@H]1COc2ccccc2[C@@H]1Oc1ccccc1Cl |r|
CNC[C@H]1Cc2ccccc2[C@@H]1Oc1cccc2ccccc12 |r|
CNC[C@H]1Cc2ccccc2[C@@H]1Oc1ccccc1C |r|
CNC[C@@H]1Cc2ccccc2[C@@H]1Oc1cccc2ccccc12 |r|
CN(C)C[C@@H]1Cc2ccccc2[C@@H]1Oc1ccc(cc1)C(F)(F)F |r|
CNC[C@@H]1Cc2ccccc2[C@@H]1Oc1ccc(cc1)C(F)(F)F |r|
CN(C)C[C@@H]1Cc2ccccc2[C@@H]1Oc1ccccc1C |r|
CNC[C@@H]1Cc2ccccc2[C@@H]1Oc1ccccc1C |r|
C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O |r|
CCOc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccc(I)cc1 |r|
CCOc1ccccc1O[C@@H]([C@H]1CNCCO1)c1ccc(I)cc1 |r|
CN(C)Cc1cc(F)ccc1Oc1ccc(cc1)S(C)=O
CN(C)Cc1cc(F)ccc1Oc1ccc(cc1)S(C)(=O)=O
CSc1ccc(Oc2ccc(C)cc2CN(C)C)cc1
COc1ccc(Oc2ccc(SC)cc2)c(CN(C)C)c1
CSc1ccc(Oc2ccncc2CN(C)C)cc1
CSc1ccc(Oc2ccncc2CN(C)C)cc1C
CSc1ccc(Oc2ccncc2CN(C)C)cc1Cl
CN(C)Cc1cnccc1Oc1ccc2SCCc2c1
CSc1ccc(Oc2ccc(NS(C)(=O)=O)cc2CN(C)C)cc1
CNCc1cc(NS(C)(=O)=O)ccc1Oc1ccc(SC)cc1
CSc1ccc(Oc2ccc(NS(C)(=O)=O)cc2CN(C)C)cc1F
CNCc1cc(NS(C)(=O)=O)ccc1Oc1ccc(SC)c(F)c1
CN(C)Cc1cc(NS(C)(=O)=O)ccc1Oc1ccc2SCCc2c1
CSc1ccc(Oc2ccc(NS(C)(=O)=O)cc2CN(C)C)cc1C
CN(C)Cc1cc(NS(C)(=O)=O)ccc1Oc1ccc2SCCOc2c1
CSc1ccc(Oc2ccc(cc2CN(C)C)S(N)(=O)=O)cc1
CN(C)Cc1cc(ccc1Oc1ccc(cc1)S(C)=O)S(N)(=O)=O
CNS(=O)(=O)c1ccc(Oc2ccc(SC)cc2)c(CN(C)C)c1
CNS(=O)(=O)c1ccc(Oc2ccc(cc2)S(C)=O)c(CN(C)C)c1
CNCc1cc(ccc1Oc1ccc(SC)cc1)S(=O)(=O)N(C)CCO
CNCc1cc(ccc1Oc1ccc(cc1)S(C)=O)S(=O)(=O)N(C)CCO
CSc1ccc(Oc2ccc(cc2CN(C)C)S(N)(=O)=O)cc1F
CSc1ccc(Oc2ccc(cc2CN(C)C)S(N)(=O)=O)cc1C
CN(C)Cc1cc(ccc1Oc1ccc(c(C)c1)S(C)=O)S(N)(=O)=O
CNC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
CN(C)Cc1ccccc1Sc1ccc(I)cc1NC(=O)c1ccc(F)cc1
CNCc1ccccc1Sc1ccc(C)cc1NC(=O)c1ccc(F)cc1
CN(C)Cc1ccccc1Sc1ccc(C)cc1NC(=O)c1ccc(F)cc1
CN(C)Cc1ccccc1Sc1ccc(C)cc1NC(=O)c1ccc(cc1)[N+]([O-])=O
CNCc1ccccc1Sc1ccc(C)cc1NCc1ccc(F)cc1
CN(C)Cc1ccccc1Sc1ccc(C)cc1NCc1ccc(cc1)[N+]([O-])=O
CN(C)Cc1ccccc1Sc1ccc(C)cc1NCc1ccc(F)cc1
CN(C)Cc1ccccc1Sc1ccccc1NC(=O)c1ccc(F)cc1
CN(C)Cc1ccccc1Sc1ccc(Cl)cc1NC(=O)c1ccc(F)cc1
CN(C)Cc1ccccc1Sc1ccc(Br)cc1NC(=O)c1ccc(F)cc1
CNCc1cc(F)ccc1Oc1ccccc1
CNCc1cc(F)ccc1Oc1ccc(Cl)c(Cl)c1
CN(C)Cc1cc(N)ccc1Oc1ccc(Cl)c(Cl)c1
CNCc1ccccc1Oc1ccc(Cl)c(Cl)c1
CN(C)Cc1cc(CC(N)=O)ccc1Oc1ccc(Cl)c(Cl)c1
CSc1ccc(Oc2ccccc2CN(C)C)cc1
CC(N(C)C)c1ccccc1Oc1ccc(Cl)c(Cl)c1
CN(C)Cc1ccccc1Oc1ccc(C)cc1
CN(C)Cc1ccc(cc1Oc1ccc(Cl)c(Cl)c1)C(F)(F)F
CN(C)Cc1ccccc1Oc1ccc(F)c(F)c1
CNCc1cc(F)ccc1Oc1ccc(C)c(C)c1
CNCc1ccccc1Oc1ccc(C)c(C)c1
CNCc1ccccc1Oc1ccc(Cl)cc1
CNC(C)c1ccccc1Oc1ccc(C)cc1
CNCc1ccc(cc1Oc1ccc(Cl)c(Cl)c1)C(F)(F)F
CNCc1ccc(Cl)cc1Oc1ccc(Cl)c(Cl)c1
CNC(C)c1cc(F)ccc1Oc1ccc(Cl)c(Cl)c1
CNCc1ccc(F)cc1Oc1ccc(Cl)c(Cl)c1
CNC(C)c1ccccc1Oc1ccc(Cl)c(Cl)c1
CNC(C)c1ccccc1Oc1ccc(Cl)cc1
CNCc1cc(OC)ccc1Oc1ccc(Cl)c(Cl)c1
CNCc1cc(F)ccc1Oc1ccc(Cl)cc1
CNC(C)c1cc(F)ccc1Oc1ccc(Cl)cc1
CN(C)Cc1cc(C)ccc1Oc1ccc(Cl)c(Cl)c1
CNCc1ccc(Br)cc1Oc1ccc(Cl)c(Cl)c1
CNCc1cc(Br)ccc1Oc1ccc(Cl)c(Cl)c1
CNCc1cc(OC)c(OC)cc1Oc1ccc(Cl)c(Cl)c1
COc1ccc(CN(C)C)c(Oc2ccc(Cl)c(Cl)c2)c1
CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C#N
CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)S(=O)(=O)NC
CNCc1cc(C)c(C)cc1Oc1ccc(Cl)c(Cl)c1
CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(N)=O
CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(F)(F)F
CNCc1cc(F)c(Cl)cc1Oc1ccc(Cl)c(Cl)c1
CNCc1ccc(OC)cc1Oc1ccc(Cl)c(Cl)c1
CNCc1cc(F)ccc1Oc1ccc(Cl)c(F)c1
CNCc1cc(F)ccc1Oc1ccc(F)c(Cl)c1
CNC(C)c1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(F)(F)F
CNC(C)c1cc(C)ccc1Oc1ccc(Cl)c(Cl)c1
CNCc1cc(F)ccc1Oc1ccc(cc1)-c1ccccc1
CNC(C)c1ccc(OC)cc1Oc1ccc(Cl)c(Cl)c1
CNCc1cc(F)c(OC)cc1Oc1ccc(Cl)c(Cl)c1
CNCc1ccc(cc1Oc1ccc(Cl)cc1)C(F)(F)F
CNCc1cc(ccc1Oc1ccc(C)cc1)C(F)(F)F
CNCc1ccc(Cl)cc1Oc1ccc(C)c(C)c1
CNCc1ccc(Cl)cc1Oc1ccc(C)cc1
CCc1cc(Oc2ccc(F)cc2CNC)ccc1Cl
CCc1cc(Oc2cc(Cl)ccc2CNC)ccc1Cl
CNCc1ccc(Cl)cc1Oc1ccc(Cl)cc1
CNC(C)c1ccc(Cl)cc1Oc1ccc(C)cc1
CNC(C)c1ccc(Cl)cc1Oc1ccc(C)c(C)c1
CNCc1cc(Cl)ccc1Oc1ccc(C)c(C)c1
CNCc1cc(Cl)ccc1Oc1ccc(Cl)c(Cl)c1
CNCc1cc(Cl)ccc1Oc1ccc(Cl)cc1
CNCc1ccc(Cl)cc1Oc1ccc(C)c(Cl)c1
CNCc1ccc(Cl)cc1Oc1ccc(Cl)c(C)c1
CNCc1ccc(Cl)cc1Oc1cccc(Cl)c1
CNCc1ccc(Cl)cc1Oc1ccc(F)c(C)c1
CNCc1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1
CNCc1ccc(Cl)cc1Oc1ccc(F)c(c1)C(F)(F)F
CNCc1ccc(Cl)cc1Oc1ccc(Cl)c(F)c1
CNCC1(O)Cc2ccccc2C1Oc1ccccc1C
CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccccc1C |r|
CNC[C@@]1(O)Cc2ccccc2[C@H]1Oc1ccccc1C |r|
CNCC1(O)Cc2ccccc2C1Sc1ccccc1C
CNCC1(O)Cc2ccccc2C1Cc1ccccc1C
CNC[C@@]1(Cc2ccccc2[C@@H]1Oc1ccccc1C)OC |r|
CCNCC1(O)Cc2ccccc2C1Oc1ccccc1C
Cc1ccccc1OC1c2ccccc2CC1(O)CNCCO
Cc1ccccc1OC1c2ccccc2CC1(O)CN
Cc1ccccc1O[C@H]1c2ccccc2C[C@@]1(O)CN |r|
CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccccc1-c1cccc2ccccc12 |r|
CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccccc1F |r|
CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccccc1Cl |r|
CCc1ccccc1O[C@H]1c2ccccc2C[C@@]1(O)CNC |r|
CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccccc1OC |r|
CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccccc1SC |r|
CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccccc1CO |r|
CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1cccc(C)c1C |r|
CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccc(C)cc1C |r|
CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1cccc(F)c1C |r|
CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccc(F)cc1C |r|
CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1cc(F)ccc1C |r|
CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1c(C)cccc1F |r|
CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1cccc(O)c1C |r|
CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccc(O)cc1C |r|
CNCCC(c1c[nH]c2ccccc12)c1ccccc1
CCCCC1(CCNC1)c1ccc2[nH]ccc2c1
CCCC1(CCNC1)c1ccc2[nH]ccc2c1
CC1(CCNC1)c1ccc2[nH]ccc2c1
N#Cc1c[nH]c2ccc(cc12)C1(Cc2ccccc2)CCNC1
CN(C)C(=O)c1cc2cc(ccc2[nH]1)C1(Cc2ccccc2)CCNC1
CNC(=O)c1cc2cc(ccc2[nH]1)C1(Cc2ccccc2)CCNC1
NC(=O)c1cc2cc(ccc2[nH]1)C1(Cc2ccccc2)CCNC1
N#Cc1cc2cc(ccc2[nH]1)C1(Cc2ccccc2)CCNC1
CCOC(=O)c1cc2cc(ccc2[nH]1)C1(Cc2ccccc2)CCNC1
Cn1ccc2cc(ccc12)C1(Cc2ccccc2)CCNC1
C(CC1(CCNC1)c1ccc2[nH]ccc2c1)c1ccccc1
COc1cccc(CC2(CCNC2)c2ccc3[nH]ccc3c2)c1
Fc1ccc(CC2(CCNC2)c2ccc3[nH]ccc3c2)cc1
C(c1ccccn1)C1(CCNC1)c1ccc2[nH]ccc2c1
C(c1ccccc1)C1(CCNC1)c1c[nH]c2ccccc12
C(c1ccccc1)C1(CCNC1)c1ccc2cc[nH]c2c1
C(c1ccccc1)C1(CCNC1)c1cnc2[nH]ccc2c1
C(c1ccccc1)C1(CCNC1)c1ccc2sccc2c1
C(c1ccccc1)C1(CCNC1)c1ccc2[nH]ncc2c1
C(c1ccccc1)C1(CCNC1)c1ccc2[nH]ccc2c1
COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccc(OC)cc23)c1=O
COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(C)cc5)c5ccccn5c4=O)CC3)c2c1
COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(Cl)cc5)c5ccccn5c4=O)CC3)c2c1
COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(F)cc5)c5ccccn5c4=O)CC3)c2c1
COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccccc5F)c5ccccn5c4=O)CC3)c2c1 |(9.93,-30.98,;8.42,-31.3,;7.94,-32.77,;8.98,-33.91,;8.5,-35.38,;6.99,-35.69,;6.22,-37.02,;4.71,-36.69,;4.56,-35.17,;3.22,-34.39,;1.89,-35.15,;.56,-34.38,;.57,-32.84,;-.77,-32.07,;-2.1,-32.84,;-3.43,-32.07,;-4.77,-32.84,;-6.1,-32.07,;-6.1,-30.52,;-4.77,-29.75,;-7.45,-29.74,;-7.45,-28.21,;-8.79,-27.45,;-8.8,-25.91,;-7.46,-25.13,;-6.12,-25.9,;-6.12,-27.44,;-4.79,-28.2,;-8.78,-30.52,;-10.12,-29.74,;-11.45,-30.52,;-11.45,-32.07,;-10.12,-32.84,;-8.78,-32.07,;-7.44,-32.84,;-7.44,-34.38,;1.89,-32.07,;3.23,-32.85,;5.97,-34.54,;6.44,-33.09,)|
COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccccc5)c5ccccn5c4=O)CC3)c2c1
COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O
Cc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O
Clc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O
Fc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O
Fc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O |(-3.9,-32.75,;-5.23,-31.98,;-5.23,-30.44,;-6.57,-29.67,;-7.91,-30.46,;-7.9,-31.99,;-6.57,-32.75,;-6.56,-34.29,;-7.89,-35.07,;-9.23,-34.29,;-10.57,-35.07,;-10.57,-36.62,;-9.23,-37.39,;-7.89,-36.62,;-6.55,-37.39,;-6.55,-38.93,;-5.21,-36.61,;-3.88,-37.38,;-2.54,-36.61,;-1.21,-37.38,;.12,-36.61,;1.46,-37.38,;1.45,-38.93,;2.78,-39.7,;4.11,-38.94,;4.12,-37.39,;2.78,-36.61,;5.45,-39.71,;5.61,-41.24,;7.11,-41.56,;7.88,-40.23,;9.39,-39.92,;9.87,-38.46,;8.83,-37.31,;7.33,-37.63,;6.86,-39.08,;-5.21,-35.06,;-3.88,-34.29,)|
O=c1c(-c2ccccc2)c2ccccn2c(=O)n1CCCCN1CCC(CC1)c1c[nH]c2ccccc12
COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@@H]1c1ccc(Cl)c(C)c1)N2C |r,TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@@H]1c1ccc(OC)cc1)N2C |r,TLB:11:10:19:6.7,THB:2:4:19:6.7|
CCOc1ccc(cc1)[C@H]1C[C@H]2CC[C@H]([C@H]1C(=O)OC)N2C |r,TLB:6:9:20:13.12,THB:16:15:20:13.12|
COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@@H]1c1ccc(OC)c(F)c1)N2C |r,TLB:11:10:20:6.7,THB:2:4:20:6.7|
COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@@H]1c1ccc(OC)c(Br)c1)N2C |r,TLB:11:10:20:6.7,THB:2:4:20:6.7|
COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@@H]1c1cc(Br)c(OC)c(Br)c1)N2C |r,TLB:11:10:21:6.7,THB:2:4:21:6.7|
COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@@H]1c1ccc(OC)c(I)c1)N2C |r,TLB:11:10:20:6.7,THB:2:4:20:6.7|
COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@@H]1c1cc(I)c(OC)c(I)c1)N2C |r,TLB:11:10:21:6.7,THB:2:4:21:6.7|
COc1ccc(cc1)[C@H]1C[C@H]2CC[C@H]([C@H]1C(=O)OC(C)C)N2C |r,TLB:5:8:21:12.11,THB:15:14:21:12.11|
COc1ccc(cc1)[C@H]1C[C@H]2CC[C@H]([C@H]1C(=O)OC1CC1)N2C |r,TLB:5:8:21:12.11,THB:15:14:21:12.11|
COc1ccc(cc1)[C@H]1C[C@H]2CC[C@H]([C@H]1C(=O)OC1CCC1)N2C |r,TLB:5:8:22:12.11,THB:15:14:22:12.11|
COc1ccc(cc1)[C@H]1C[C@H]2CC[C@H]([C@H]1C(=O)OCCc1ccc(cc1)[N+]([O-])=O)N2C |r,TLB:5:8:29:12.11,THB:15:14:29:12.11|
COc1ccc(cc1)[C@H]1C[C@H]2CC[C@H]([C@H]1C(=O)OCCc1ccc(N)cc1)N2C |r,TLB:5:8:27:12.11,THB:15:14:27:12.11|
COc1ccc(cc1)[C@H]1C[C@H]2CC[C@H]([C@H]1C(=O)OCCc1ccc(NC(C)=O)cc1)N2C |r,TLB:5:8:30:12.11,THB:15:14:30:12.11|
COc1ccc(cc1)[C@H]1C[C@H]2CC[C@H]([C@H]1C(=O)OCCc1ccc(N)c(Br)c1)N2C |r,TLB:5:8:28:12.11,THB:15:14:28:12.11|
COc1ccc(cc1)[C@H]1C[C@H]2CC[C@H]([C@H]1C(=O)OCCc1cc(Br)c(N)c(Br)c1)N2C |r,TLB:5:8:29:12.11,THB:15:14:29:12.11|
COc1ccc(cc1)[C@H]1C[C@H]2CC[C@H]([C@H]1C(=O)OCCc1ccc(N)c(I)c1)N2C |r,TLB:5:8:28:12.11,THB:15:14:28:12.11|
COc1ccc(cc1)[C@H]1C[C@H]2CC[C@H]([C@H]1C(=O)OCCc1cc(I)c(N)c(I)c1)N2C |r,TLB:5:8:29:12.11,THB:15:14:29:12.11|
COc1ccc(cc1)[C@H]1C[C@H]2CC[C@H]([C@H]1c1cc(no1)-c1ccc(C)cc1)N2C |r,TLB:5:8:27:12.11,THB:15:14:27:12.11|
FCCOC(=O)C1C2CCC(CC1c1cccc(\C=C/I)c1)N2 |TLB:13:12:22:9.8,THB:4:6:22:9.8|
FCCOC(=O)C1C2CCC(CC1c1cccc(\C=C/Br)c1)N2 |TLB:13:12:22:9.8,THB:4:6:22:9.8|
FCCCOC(=O)C1C2CCC(CC1c1cccc(\C=C/I)c1)N2 |TLB:14:13:23:10.9,THB:5:7:23:10.9|
FCCCOC(=O)C1C2CCC(CC1c1cccc(\C=C/Br)c1)N2 |TLB:14:13:23:10.9,THB:5:7:23:10.9|
FCCOC(=O)C1C2CCC(CC1c1cccc(\C=C\I)c1)N2 |TLB:13:12:22:9.8,THB:4:6:22:9.8|
FCCOC(=O)C1C2CCC(CC1c1ccc(\C=C/I)cc1)N2 |TLB:13:12:22:9.8,THB:4:6:22:9.8|
C(O[C@H]1CCNC1)c1ccc2ccccc2c1 |r|
C(O[C@@H]1CCNC1)c1ccc2ccccc2c1 |r|
N#Cc1ccc2cc(CO[C@H]3CCNC3)ccc2c1 |r|
Fc1ccc2cc(CO[C@@H]3CCNC3)ccc2c1 |r|
CCN(C1CCNCC1)S(=O)(=O)c1ccc2ccccc2c1
CCCCN(C1CCNCC1)S(=O)(=O)c1ccc2ccccc2c1
CN([C@@H]1CCNC1)S(=O)(=O)c1ccc2ccccc2c1 |r|
CCN([C@@H]1CCNC1)S(=O)(=O)c1ccc2ccccc2c1 |r|
CN([C@H]1CCNC1)S(=O)(=O)c1ccc2ccccc2c1 |r|
CCCCN([C@H]1CCNC1)S(=O)(=O)c1ccc2ccccc2c1 |r|
CN(Cc1ccc2ccccc2c1)[C@@H]1CCNC1 |r|
CC(C)CN(Cc1ccc2ccccc2c1)[C@@H]1CCNC1 |r|
CN(Cc1ccc2ccccc2c1)[C@H]1CCNC1 |r|
CCCCN(Cc1ccc2ccccc2c1)[C@H]1CCNC1 |r|
C(N(C1CCC1)C1CCNCC1)c1ccc2ccccc2c1
C(Oc1ccc2ccccc2c1)C1CCNC1
N#Cc1ccc2cc(OC[C@H]3CCNC3)ccc2c1 |r|
N#Cc1ccc2cc(OC[C@@H]3CCNC3)ccc2c1 |r|
C(Oc1ccc2ccccc2c1)C1CCNCC1
N#Cc1ccc2cc(OCC3CCNCC3)ccc2c1
N#Cc1ccc2ccc(OCC3CCNCC3)cc2c1
COCC(Oc1ccc2ccccc2c1)C1CCNCC1
C(Cc1ccc2ccccc2c1)N1CCNCC1
Fc1ccc2cc(CCN3CCNCC3)ccc2c1
Cc1c(CCN2CCNCC2)ccc2cc(F)ccc12
C(OC1CCNCC1)c1ccc2ccccc2c1
NC[C@H]1C[C@@H]1c1ccccc1Br |r|
Cc1cccc(c1)[C@H]1C[C@@H]1CN |r|
NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl |r|
C[C@H]1CNCCc2c1cc(cc2)Cl
NC[C@H]1C[C@@H]1c1ccc(F)cc1 |r|
NCC1CC1c1ccccc1Br
COc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Clc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
C=CCN(CCc1c[nH]c2ccccc12)CC=C
COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1
COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1 |r|
COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1
COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Cc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Brc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Fc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1Cl
CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)N1CCN(CC1)c1cccc(Cl)c1
CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2cccc(Cl)c2)cc1
CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1cccc(c1)N1CCN(CC1)c1cccc(Cl)c1
CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)N1CCN(CC1)c1cccc(Cl)c1
CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Nc2ccc(C)c(Cl)c2)cc1
COc1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)N(CCN(C)C)Cc2ccccc2)cc1Cl
CCn1ccc2cc(NC(=O)Nc3ccc(cc3)S(=O)(=O)N(CCN(C)C)Cc3ccccc3)ccc12
CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Nc2ccc3n(C)ccc3c2)cc1
CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(I)cc1
CN(C)CCC(Oc1ccc(NC(=O)N2CCc3cc(C)c(Cl)cc23)cc1)c1ccccc1
COc1ccc(CC(C)(C)NCC(O)COc2ccccc2C#N)cc1
COc1ccc(CC(C)(C)NCC(O)COc2cccc(Cl)c2C#N)cc1
COc1ccc(CC(C)(C)NC[C@H](O)COc2cccc3[nH]c(=O)[nH]c23)cc1 |r|
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2ccc(cc2)C(F)(F)F)cc1)c1cccnc1
Nc1nc(CC(=O)Nc2ccc(C[C@@H]3CC[C@@H](N3)[C@H](O)c3ccccc3)cc2)cs1 |r|
O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4scnc34)cc2)N1)c1cccnc1 |r|
O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4ccnn34)cc2)N1)c1cccnc1 |r|
[H][C@@]1(CC[C@@H](Cc2ccc(NC(=O)Cn3cnc4ccccc4c3=O)cc2)N1)[C@H](O)c1ccccc1 |r|
[H][C@@]1(CC[C@@H](Cc2ccc(NC(=O)Cn3ncccc3=O)cc2)N1)[C@H](O)c1ccccc1 |r|
[H][C@@]1(CC[C@@H](Cc2ccc(NC(=O)Cn3cnccc3=O)cc2)N1)[C@H](O)c1ccccc1 |r|
[H][C@@]1(CC[C@@H](Cc2ccc(NC(=O)Cn3cccnc3=O)cc2)N1)[C@H](O)c1ccccc1 |r|
[H][C@@]1(CC[C@@H](Cc2ccc(NC(=O)Cn3ccccc3=O)cc2)N1)[C@H](O)c1ccccc1 |r|
[H][C@@]1(CC[C@@H](Cc2ccc(NC(=O)[C@H](C)n3ncccc3=O)cc2)N1)[C@H](O)c1ccccc1 |r|
[H][C@@]1(CC[C@@H](Cc2ccc(NC(=O)[C@H](C)n3ncccc3=O)cc2)N1)[C@H](O)c1cccnc1 |r|
[H][C@@]1(CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4cccc(=O)n34)cc2)N1)[C@H](O)c1ccccc1 |r|
[H][C@@](O)(c1ccccc1)[C@@]1([H])CC[C@@]([H])(Cc2ccc(NC(=O)[C@]3([H])CCc4nccc(=O)n34)cc2)N1 |r|
NCC1CC1c1cc(F)c(F)cc1OCC=C
CC(C)C(C)[C@]1(CC[C@@](C)(O)CC1)c1ccc2ccccc2c1 |r,wU:5.13,wD:8.9,(-7.77,.92,;-6.7,1.54,;-6.7,2.77,;-5.36,.77,;-5.36,-.47,;-4.02,1.54,;-2.69,2.27,;-2.69,3.81,;-4.03,4.58,;-5.11,5.17,;-2.95,5.18,;-5.36,3.81,;-5.36,2.27,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;,.77,;-1.33,1.54,)|
CN1C2CCC1CC(C2)c1ccc(C)c(Br)c1
CN1C2CCC1CC(C2)c1ccc2ccccc2c1
COc1cc2ccc(OC3CC4CCC(C3)N4C)cc2oc1=O
CN1C2CCC1CC(C2)Oc1ccc2cc(-c3ccoc3)c(=O)oc2c1
CNC[C@@]1(CC[C@@](C)(O)CC1)c1ccc2ccccc2c1 |r,wU:6.7,wD:3.2,(-7.77,.92,;-6.7,1.54,;-5.36,.77,;-4.02,1.54,;-5.36,2.27,;-5.36,3.81,;-4.03,4.58,;-5.11,5.17,;-2.95,5.18,;-2.69,3.81,;-2.69,2.27,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;,.77,;-1.33,1.54,)|
NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:26,t:10|
NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:30,t:10|
NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:24,t:10|
NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:28,t:10|
NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:29,t:10|
NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:27,t:10|
Brc1ccc(cc1)N1CCN(CCN2CCC(Cc3ccccc3)CC2)CC1
Clc1ccc(N2CCN(CCN3CCC(Cc4ccccc4)CC3)CC2)c(Cl)c1
C(CN1CCC(Cc2ccccc2)CC1)CN1CCN(CC1)c1ccccc1
Cc1cccc(C)c1N1CCN(CCCN2CCC(Cc3ccccc3)CC2)CC1
COc1ccccc1N1CCN(CCCN2CCC(Cc3ccccc3)CC2)CC1
Clc1cccc(c1)N1CCN(CCCN2CCC(Cc3ccccc3)CC2)CC1
Clc1ccc(cc1)N1CCN(CCCN2CCC(Cc3ccccc3)CC2)CC1
Brc1ccc(cc1)N1CCN(CCCN2CCC(Cc3ccccc3)CC2)CC1
Clc1ccc(N2CCN(CCCN3CCC(Cc4ccccc4)CC3)CC2)c(Cl)c1
FC(F)(F)c1ccc(cc1)N1CCN(CCCN2CCC(Cc3ccccc3)CC2)CC1
Clc1cccc(N2CCN(CCCN3CCC(Cc4ccccc4)CC3)CC2)c1Cl
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCCN1C(=O)c2ccccc2C1=O |THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCCCCCCN1C(=O)c2ccccc2C1=O |THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCN1C(=O)c2ccccc2C1=O |THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCCCN1C(=O)c2ccccc2C1=O |THB:2:4:18:6.7,11:10:18:6.7|
CN1[C@@H](CCc2ccc(OCCF)cc2)CCC[C@H]1CCc1ccc(OCCF)cc1
OC[C@H](O)CN1[C@@H](CCc2ccc(OCCF)cc2)CCC[C@H]1CCc1ccc(OCCF)cc1
OC[C@H](O)CN1[C@@H](CCc2ccc(O)cc2)CCC[C@H]1CCc1ccc(OCCF)cc1
COc1ccc(CC[C@H]2CCC[C@@H](CCc3ccc(OC)cc3)N2C[C@@H](O)CO)cc1 |r|
CN1[C@@H](CCc2ccc(OC(C)=O)cc2)CCC[C@H]1CCc1ccc(OC(C)=O)cc1
CC(=O)Oc1ccc(CC[C@H]2CCC[C@@H](CCc3ccc(OC(C)=O)cc3)N2)cc1
Oc1ccc(CC[C@H]2CCC[C@@H](CCc3ccc(O)cc3)N2)cc1
CN1[C@@H](CCc2ccc(O)cc2)CCC[C@H]1CCc1ccc(O)cc1
Oc1ccc(CC[C@H]2CCC[C@@H](CCc3ccc(OCCF)cc3)N2)cc1
OC[C@H](O)CN1[C@@H](CCc2ccc(O)cc2)CCC[C@H]1CCc1ccc(O)cc1
CN1[C@@H](CCc2ccc(O)cc2)CCC[C@H]1CCc1ccc(OCCF)cc1
FCCOc1ccc(CC[C@H]2CCC[C@@H](CCc3ccc(OCCF)cc3)N2)cc1
CN(C)CCCN1c2ccccc2CCc2ccc(cc12)C#CCOCCOCCSc1cccc2ccccc12
CN(C)CCCN1c2ccccc2CCc2ccc(cc12)C#CCOCCCN1c2ccccc2CCc2ccccc12
CN(C)CCCN1c2ccccc2CCc2ccc(cc12)C#CCOCCCOCCCN1c2ccccc2CCc2ccccc12
CN(C)CCCN1c2ccccc2CCc2ccc(CCCOCc3cccc4ccccc34)cc12
CN(C)CCCN1c2ccccc2CCc2ccc(CCCOCCOc3cccc4ccccc34)cc12
CN(C)CCCN1c2ccccc2CCc2ccc(CCCOCCCOc3cccc4ccccc34)cc12
CN(C)CCCN1c2ccccc2CCc2ccc(CCCOCCOCCc3cccc4ccccc34)cc12
CN(C)CCCN1c2ccccc2CCc2ccc(CCCOCCCN3c4ccccc4CCc4ccccc34)cc12
CN(C)CCCN1c2ccccc2CCc2ccc(CCCOCCCOCCCN3c4ccccc4CCc4ccccc34)cc12
CN(C)CCCN1c2ccccc2CCc2ccc(cc12)C#CCO
CN(C)CCCN1c2ccccc2CCc2ccc(cc12)C#C
CN(C)CCCN1c2ccccc2CCc2ccc(cc12)C#CCOCc1cccc2ccccc12
CN(C)CCCN1c2ccccc2CCc2ccc(cc12)C#CCOSCc1cccc2ccccc12
CN(C)CCCN1c2ccccc2CCc2ccc(cc12)C#CCOCCOc1cccc2ccccc12
CN(C)CCCN1c2ccccc2CCc2ccc(cc12)C#CCOCCOc1ccc2ccccc2c1
CN(C)CCCN1c2ccccc2CCc2ccc(cc12)C#CCOCCCOc1cccc2ccccc12
CN(C)CCCN1c2ccccc2CCc2ccc(cc12)C#CCOCCOCCc1cccc2ccccc12
CN(C)CCCN1c2ccccc2CCc2ccc(cc12)C#CCOCCOCCOc1cccc2ccccc12
COc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
O=C(CCCN1CCc2ccccc2C1)c1ccc(cc1)C#N
O=C(CCCN1CCc2ccccc2C1)c1ccccc1
Fc1ccc(CCCCN2CCc3ccccc3C2)cc1
Fc1ccc2CC(CCN3CCc4ccccc4C3)Cc2c1
C(CCc1c[nH]c2ccccc12)CN1CCc2ccccc2C1
O=C1N(CCCCN2CCC3CCCCC3C2)C(=O)c2ccccc12
Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1CN1CCCC1=O
Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1CN1CCCCC1=O
Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1CN1CCCNC1=O
Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1Cn1ccccc1=O
Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1Cn1ncccc1=O
OC(=O)c1cccn(C[C@@H]2CNCCO[C@H]2c2ccc(Cl)c(F)c2)c1=O
Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1Cn1cccc(-c2nnn[nH]2)c1=O
Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1Cn1cccc(-c2noc(=O)[nH]2)c1=O
Cc1nnc([nH]1)-c1cccn(C[C@@H]2CNCCO[C@H]2c2ccc(Cl)c(F)c2)c1=O
COC(=O)c1cccn(C[C@@H]2CNCCO[C@H]2c2ccc(Cl)c(F)c2)c1=O
Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1Cn1ccc(cc1=O)-c1noc(=O)[nH]1
Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1Cn1cc(ccc1=O)-c1noc(=O)[nH]1
Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1Cn1c(cccc1=O)-c1noc(=O)[nH]1
Clc1ccc2sc(CCCCN3CCC4(CC3)N(CNC4=O)c3ccccc3)nc2c1
O=C(CCCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1nc2ccccc2s1
O=C1NCN(c2ccccc2)C11CCN(CCCCc2c[nH]c3ccccc23)CC1
Clc1ccc2n(C3CCN(CCCCc4nc5ccccc5o4)CC3)c(=O)[nH]c2c1
Clc1ccc2n(C3CCN(CCCCc4c[nH]c5ccccc45)CC3)c(=O)[nH]c2c1
OC1(CC2CCC(C1)N2CCCCc1nc2ccccc2s1)c1ccc(Cl)cc1
OC1(CC2CCC(C1)N2CCCCC(=O)c1nc2ccccc2s1)c1ccc(Cl)cc1
Clc1cccc(OC([C@@H]2CCNC2)c2ccccn2)c1Cl |r|
Clc1cccc(OC([C@H]2CCNC2)c2ccccn2)c1Cl |r|
C1CC(CCN1)C(Oc1cccc2ccccc12)c1ccccc1
Clc1cccc(OC(C2CCNCC2)c2ccccc2)c1Cl
Clc1ccccc1OC(C1CCNCC1)c1cccnc1
CCc1ccccc1OC(C1CCNCC1)c1cccnc1
CCOc1ccccc1OC(C1CCNCC1)c1cccnc1
FC(F)(F)c1ccccc1OC(C1CCNCC1)c1cccnc1
FC(F)(F)Oc1ccccc1OC(C1CCNCC1)c1cccnc1
C1CC(CCN1)C(Oc1ccccc1-c1ccccc1)c1cccnc1
C1CC(CCN1)C(Oc1ccccc1Oc1ccccc1)c1cccnc1
Clc1cccc(OC(C2CCNCC2)c2cccnc2)c1
CCc1cccc(OC(C2CCNCC2)c2cccnc2)c1
CCc1ccc(OC(C2CCNCC2)c2cccnc2)cc1
CSc1ccc(OC(C2CCNCC2)c2cccnc2)cc1
Clc1cccc(OC(C2CCNCC2)c2cccnc2)c1Cl
Cc1ccc(cn1)C(Oc1cccc(Cl)c1Cl)C1CCNCC1
Fc1cccc(OC(C2CCNCC2)c2cccnc2)c1F
Cc1cccc(OC(C2CCNCC2)c2cccnc2)c1C
Clc1ccc(OC(C2CCNCC2)c2cccnc2)c(Cl)c1
Clc1ccc(Cl)c(OC(C2CCNCC2)c2cccnc2)c1
Clc1cc(Cl)cc(OC(C2CCNCC2)c2cccnc2)c1
Clc1cc(Cl)c(Cl)c(OC(C2CCNCC2)c2cccnc2)c1
C1CC(CCN1)C(Oc1ccccc1-c1ccccc1)c1ccccn1
Clc1cccc(OC(C2CCNCC2)c2ccccn2)c1Cl
Cc1cccnc1C(Oc1cccc(Cl)c1Cl)C1CCNCC1
Cc1ccnc(c1)C(Oc1cccc(Cl)c1Cl)C1CCNCC1
Cc1ccc(nc1)C(Oc1cccc(Cl)c1Cl)C1CCNCC1
Clc1ccc(OC(C2CCNCC2)c2ccccn2)c(Cl)c1
Clc1cccc(OC(C2CCNCC2)c2ccncc2)c1Cl
Clc1ccc(OC(C2CCNCC2)c2ccncc2)c(Cl)c1
Clc1cccc(OC([C@@H]2CCCNC2)c2cccnc2)c1Cl |r|
Clc1cccc(OC([C@H]2CCCNC2)c2cccnc2)c1Cl |r|
Cc1ccc2c3O[C@@H](CN4CCC(=CC4)c4c[nH]c5ccccc45)COc3ccc2n1 |r,c:12|
Cc1ccc2c3O[C@@H](CN4CCCN(CC4)c4ccc5cc(F)ccc5n4)COc3ccc2n1 |r|
Cc1ccc2c3O[C@@H](CN4CCCN(CC4)c4ccc5cc(ccc5n4)C#N)COc3ccc2n1 |r|
Cc1ccc2c3O[C@@H](CN4CCCN(CC4)c4ccc5ccccc5n4)COc3ccc2n1 |r|
C[C@@H]1CN(CCN1C[C@H]1COc2ccc3nc(C)ccc3c2O1)c1ccc2cc(ccc2n1)C#N |r|
C[C@@H]1CN(CCN1C[C@H]1COc2ccc3nc(C)ccc3c2O1)c1ccc2ccccc2n1 |r|
C[C@H]1CN(CCN1C[C@H]1COc2ccc3nc(C)ccc3c2O1)c1ccc2ccccc2n1 |r|
Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5ccccc5n4)COc3ccc2n1 |r|
Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(OC(F)(F)F)ccc5n4)COc3ccc2n1 |r|
Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(ccc5n4)C(N)=O)COc3ccc2n1 |r|
Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(ccc5n4)C#N)COc3ccc2n1 |r|
Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(Br)ccc5n4)COc3ccc2n1 |r|
Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(Cl)ccc5n4)COc3ccc2n1 |r|
Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(F)ccc5n4)COc3ccc2n1 |r|
Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(ccc5n4)[N+]([O-])=O)COc3ccc2n1 |r|
CNC[C@H]1CCC[C@@H]1c1c[nH]c2ccc(cc12)C#N |r|
N#Cc1ccc2[nH]cc([C@H]3CCC[C@@H]3CN3CCCC3)c2c1 |r|
CCN(CC)C[C@H]1CCC[C@@H]1c1c[nH]c2ccc(cc12)C#N |r|
CCNC[C@H]1CCC[C@@H]1c1c[nH]c2ccc(cc12)C#N |r|
CN(C[C@H]1CCC[C@@H]1c1c[nH]c2ccc(cc12)C#N)Cc1ccccc1 |r|
CCN(C)C[C@H]1CCC[C@@H]1c1c[nH]c2ccc(cc12)C#N |r|
CN(C)C[C@H]1CCC[C@@H]1c1c[nH]c2ccc(cc12)C#N |r|
CN(C)C[C@@H]1CCC[C@@H]1c1c[nH]c2ccc(cc12)C#N |r|
CN(C)C[C@H]1CCC[C@H]1c1c[nH]c2ccc(cc12)C#N |r|
CN(C)C[C@@H]1CCC[C@H]1c1c[nH]c2ccc(cc12)C#N |r|
CN(C)C[C@H]1C[C@@H]1c1c[nH]c2ccc(cc12)C#N
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1 |r|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(N2CCCNC2=O)c2ccccc2)C(C)(C)C1 |r|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(N2CCCOC2=O)c2ccccc2)C(C)(C)C1 |r|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(N2CCCCC2=O)c2ccccc2)C(C)(C)C1 |r|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)C2CCC(CC2)(N(C)C(C)=O)c2ccccc2)C(C)(C)C1 |r,wU:11.11,8.9,wD:14.15,(18.3,-47.67,;16.96,-48.43,;15.63,-47.66,;14.29,-48.42,;12.97,-47.65,;12.98,-46.1,;14.31,-45.34,;15.64,-46.11,;11.65,-45.33,;10.32,-46.09,;11.66,-43.79,;10.33,-43.01,;10.34,-41.47,;9,-40.69,;7.67,-41.46,;6.34,-40.69,;5,-41.46,;6.34,-39.15,;5.01,-38.38,;5.01,-36.83,;6.34,-36.05,;7.68,-36.83,;7.68,-38.38,;7.66,-35.25,;7.62,-33.72,;9.01,-36,;10.32,-35.2,;9.04,-37.53,;5,-35.31,;4.97,-33.76,;3.63,-33.02,;2.3,-33.8,;2.32,-35.34,;3.66,-36.1,;7.67,-43,;6.33,-42.23,;6.89,-44.32,;8.99,-43.77,)|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)C2CCC(CC2)(NC(C)=O)c2ccccc2)C(C)(C)C1 |r|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2ccccc2)c2ccc(Cl)nc2)C(C)(C)C1 |r|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2ccccc2)c2ccc(OC)nc2)C(C)(C)C1 |r|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2ccccc2)c2cccnc2)C(C)(C)C1 |r|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2ccccc2)c2ccccc2)C(C)(C)C1 |r|
COc1ccc(cc1)[C@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)C(F)(F)F |r|
COc1ccc(cc1)[C@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)C(F)F |r|
C[C@@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)c1ccc(F)cc1 |r|
C[C@@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)c1ccc(Cl)cc1 |r|
C[C@@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)c1ccc(C)cc1 |r|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N(C)C)c2ccccc2)C(C)(C)C1 |r|
CNCc1cnc(C)cc1Oc1ccccc1Oc1ccccc1
CC(C)CN([C@H]1CCNC1)C(=O)c1ccccc1-c1ccccc1 |r|
Cc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1 |r|
CSc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1 |r|
CCOc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1 |r|
Clc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1 |r|
FC(F)(F)c1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1 |r|
CCc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1 |r|
CCSc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1 |r|
CC(C)c1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1 |r|
O=C(N(CC1CCC1)[C@H]1CCNC1)c1ccccc1C1CCCC1 |r|
O=C(N(CC1CCC1)[C@H]1CCNC1)c1ccccc1Oc1ccccc1 |r|
CSc1ccccc1C(=O)N(C1CCC1)[C@H]1CCNC1 |r|
CCCN([C@H]1CCNC1)C(=O)c1ccccc1SC |r|
CSc1ccccc1C(=O)N(C1CCCC1)[C@H]1CCNC1 |r|
CSc1ccccc1C(=O)N([C@H]1CCNC1)c1ccccc1 |r|
CSc1ccccc1C(=O)N([C@H]1CCNC1)C1CCCCC1 |r|
CC(C)N([C@H]1CCNC1)C(=O)c1ccccc1C(F)(F)F |r|
FC(F)(F)c1ccccc1C(=O)N(C1CCC1)[C@H]1CCNC1 |r|
FC(F)(F)c1ccccc1C(=O)N(CC1CC1)[C@H]1CCNC1 |r|
FC(F)(F)c1ccccc1C(=O)N([C@H]1CCNC1)c1ccccc1 |r|
FC(F)(F)c1ccccc1C(=O)N(CC1CCCC1)[C@H]1CCNC1 |r|
CC(C)c1ccccc1C(=O)N(C1CCC1)[C@H]1CCNC1 |r|
CC(C)c1ccccc1C(=O)N(CC1CC1)[C@H]1CCNC1 |r|
CCCN([C@H]1CCNC1)C(=O)c1ccccc1C(C)C |r|
CC(C)c1ccccc1C(=O)N(C1CCCC1)[C@H]1CCNC1 |r|
CC(C)c1ccccc1C(=O)N(CC1CCCC1)[C@H]1CCNC1 |r|
CN([C@H]1CCNC1)C(=O)c1ccccc1Oc1ccccc1 |r|
CCN([C@H]1CCNC1)C(=O)c1ccccc1Oc1ccccc1 |r|
O=C(N(C1CCC1)[C@H]1CCNC1)c1ccccc1Oc1ccccc1 |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1ccccc1Oc1ccccc1 |r|
O=C(N([C@H]1CCNC1)c1ccccc1)c1ccccc1Oc1ccccc1 |r|
CSc1ccccc1C(=O)N(CC1CCC1)[C@@H]1CCNC1 |r|
FC(F)(F)c1ccccc1C(=O)N(CC1CCC1)[C@@H]1CCNC1 |r|
CC(C)c1ccccc1C(=O)N(CC1CCC1)[C@@H]1CCNC1 |r|
O=C(N(CC1CCC1)[C@@H]1CCNC1)c1ccccc1Oc1ccccc1 |r|
FC(F)(F)c1ccccc1CN([C@H]1CCNC1)C(=O)C1CCC1 |r|
CNC[C@H]1C[C@@]1(Oc1cccc2ccccc12)c1cccs1 |r|
CNC[C@@H]1C[C@]1(Oc1cccc2ccccc12)c1cccs1 |r|
CNC[C@@H]1C[C@@]1(Oc1cccc2ccccc12)c1cccs1 |r|
CNC[C@H]1C[C@]1(Oc1cccc2ccccc12)c1cccs1 |r|
CC(C)C(=O)[C@@]12C(O)=C(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O |t:7,TLB:24:23:37:6.14.8,9:8:37:29.23.22,THB:30:29:37:6.14.8,7:6:37:29.23.22,15:14:37:29.23.22,31:29:37:6.14.8|
[#6]-[#6]-[#6](-[#6])-[#6](=O)[C@@]12[#6](-[#8])=[#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,t:8,THB:39:38:15.9.7:30.24.23|
OC(CN1CCN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
[O-][S+](CC(=O)N1CCN(CCCc2ccccc2)CC1)C(c1ccccc1)c1ccccc1
[O-][S+](CC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
CC(O)CN1CCN(CC1)C(=O)C[S+]([O-])C(c1ccc(F)cc1)c1ccc(F)cc1
Fc1ccc(cc1)C(SCCN1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)c1ccc(F)cc1
CC(O)CN1CCN(CCSC(c2cccc(Cl)c2)c2cccc(Cl)c2)CC1
[O-][S+](CCN1CCN(CCCc2ccccc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
CC(O)CN1CCN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
[O-][S+](CCN1CCN(Cc2ccccc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
[O-][S+](CCN1CCN(Cc2ccc(Cl)cc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
Fc1ccc(cc1)C(SCC(=O)N1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
CC(O)CN1CCN(CC1)C(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1
Fc1ccc(CN2CCN(CC2)C(=O)CSC(c2ccc(F)cc2)c2ccc(F)cc2)cc1
[O-][S+](CC(=O)N1CCN(CCCc2ccccc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
CCCN1CCN(CC1)C(=O)C[S+]([O-])C(c1ccc(F)cc1)c1ccc(F)cc1
CCCN1CCN(CC1)C(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1
[O-][S+](CCN1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
[O-][S+](CC(=O)N1CCN(Cc2ccc(F)cc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
Fc1ccc(cc1)C(SCCN1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
OC(CN1CCN(CC[S+]([O-])C(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Fc1ccc(cc1)C(SCCN1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1
Fc1ccc(CN2CCN(CCSC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
[O-][S+](CCN1CCN(CCCc2ccccc2)CC1)C(c1ccccc1)c1ccccc1
[O-][S+](CCN1CCN(Cc2ccc(F)cc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
CC(O)CN1CCN(CC[S+]([O-])C(c2cccc(Cl)c2)c2cccc(Cl)c2)CC1
Fc1ccc(cc1)C(SCC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1
[H][C@]12CCN(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])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r|
Fc1cccc(Oc2ccccc2)c1C1CCNCC1
C(Oc1ccccc1)c1ccccc1N1CCNCC1
Fc1cccc(OCc2ccccc2N2CCNCC2)c1F
Fc1cccc(Oc2ccccc2C2CCNCC2)c1
Fc1cccc(Oc2cccc(F)c2C2CCNCC2)c1
Fc1ccccc1COc1ccccc1N1CCNCC1
Fc1ccc(Oc2ccccc2N2CCNCC2)cc1
C(Oc1ccccc1N1CCNCC1)c1ccccc1
Fc1ccc(COc2ccc(F)cc2C2CCNCC2)cc1
Fc1ccc(OCc2ccc(Cl)c(Cl)c2)c(c1)C1CCNCC1
Cc1ccc(C2CCNCC2)c(Oc2cccc(F)c2)c1
Fc1cccc(OCc2ccccc2N2CCNCC2)c1
Cc1ccc(F)c(Oc2ccccc2C2CCNCC2)c1
Fc1cccc(OCc2ccccc2)c1C1CCNCC1
Fc1ccc(COc2ccc(Cl)cc2C2CCNCC2)cc1
Fc1cccc(OCc2ccccc2C2CCNCC2)c1
C(Oc1ccccc1C1CC1)c1ccccc1N1CCNCC1
Fc1ccccc1COc1ccccc1C1CCNCC1
C(Oc1ccccc1C1CCNCC1)c1ccccc1
Clc1ccc(cc1Cl)N1CCSC(Cc2ccccc2N2CCNCC2)C1=O
Fc1ccc(N2CCS\C(=C/c3ccccc3N3CCNCC3)C2=O)c(F)c1
Fc1ccc(Oc2cccc(F)c2C2CCNCC2)cc1
Clc1cccc(Oc2ccccc2C2CCNCC2)c1
Fc1ccc(Oc2cc(F)c(F)cc2C2CCNCC2)cc1
Fc1ccc(COc2ccccc2C2CCNCC2)cc1
Fc1ccc(Oc2ccccc2C2CCNCC2)cc1
C(Oc1ccccc1)c1ccccc1C1CCNCC1
Cc1ccc(C2CCNCC2)c(Oc2ccc(F)cc2)c1
C1CC(CCN1)c1ccccc1Oc1ccccc1
Fc1cccc(C2CCNCC2)c1Oc1ccccc1
C1CN(CCN1)c1ccccc1Oc1ccccc1
Fc1cccc(C2CCNCC2)c1OCc1ccccc1
Fc1cccc(Oc2ccccc2N2CCNCC2)c1
CNCC[C@H](c1cccc(F)c1)n1ccc2ccccc12 |r|
CNCC[C@H](c1ccccc1)n1ccc2ccccc12 |r|
CNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2cccc(Br)c12 |r|
CNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2ccc(Br)cc12 |r|
CNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2cc(Br)ccc12 |r|
CNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2c(Br)cccc12 |r|
CNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2cccc(F)c12 |r|
CNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2ccc(F)cc12 |r|
CNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2cc(F)ccc12 |r|
CNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2c(F)cccc12 |r|
CNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2cccc(C)c12 |r|
CNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2cc(C)ccc12 |r|
CNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2c(C)cccc12 |r|
CNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2cccc(Cl)c12 |r|
CNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2ccc(Cl)cc12 |r|
CNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2cc(Cl)ccc12 |r|
CNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2c(Cl)cccc12 |r|
CCc1cn([C@H]([C@H](O)CNC)c2cccc(F)c2)c2ccccc12 |r|
CNC[C@@H](O)[C@H](c1cccc(F)c1)n1cc(C)c2ccccc12 |r|
CNC[C@@H](O)[C@H](c1cccc(c1)C(F)(F)F)n1ccc2ccccc12 |r|
CNC[C@@H](O)[C@H](c1cccc(Br)c1)n1ccc2ccccc12 |r|
CNC[C@@H](O)[C@H](c1cccc(OC)c1)n1ccc2ccccc12 |r|
CNC[C@@H](O)[C@H](c1ccc(C)cc1)n1ccc2ccccc12 |r|
CNC[C@@H](O)[C@H](c1cccc(C)c1)n1ccc2ccccc12 |r|
CNC[C@@H](O)[C@H](c1ccccc1C)n1ccc2ccccc12 |r|
CNC[C@@H](O)[C@H](c1ccc(F)cc1)n1ccc2ccccc12 |r|
CNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2ccccc12 |r|
CNC[C@@H](O)[C@H](c1ccccc1F)n1ccc2ccccc12 |r|
CNC[C@@H](O)[C@H](c1ccc(Cl)cc1)n1ccc2ccccc12 |r|
CNC[C@@H](O)[C@H](c1cccc(Cl)c1)n1ccc2ccccc12 |r|
CNC[C@@H](O)[C@H](c1ccccc1Cl)n1ccc2ccccc12 |r|
CNC[C@@H](O)[C@H](c1ccccc1)n1ccc2ccccc12 |r|
NC(=N)N\N=C1/CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12
CC1Cc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc2\C1=N\NC(N)=N
CC1(C)C\C(=N/NC(N)=N)c2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc12
Clc1nc2sccn2c1S(=O)(=O)Nc1ccc2CC\C(=N/NC3=NCCN3)c2c1 |t:24|
CNC[C@H](O)[C@@H](c1ccccc1)n1ccc2ccccc12 |r|
O[C@@H](CNCC1CCCCC1)[C@H](c1ccccc1)n1ccc2ccccc12 |r|
CCNC[C@H](O)[C@H](c1ccccc1)n1ccc2ccccc12 |r|
NC[C@H](O)[C@H](c1ccccc1)n1ccc2ccccc12 |r|
CCNC[C@H](O)[C@H](c1ccccc1)n1cc(C)c2ccccc12 |r|
CNC[C@H](O)[C@H](c1ccccc1)n1cc(C)c2ccccc12 |r|
Cc1cn([C@H]([C@@H](O)CN)c2ccccc2)c2ccccc12 |r|
CNC[C@H](O)[C@H](c1ccccc1)n1ccc2cc(F)ccc12 |r|
CNC[C@H](O)[C@H](c1ccccc1)n1ccc2cc(Cl)ccc12 |r|
CNC[C@H](O)[C@H](c1ccccc1)n1ccc2cc(OC)ccc12 |r|
CNC[C@H](O)[C@H](c1ccccc1)n1ccc2ccccc12 |r|
CNC[C@@H](O)[C@@H](c1ccccc1)n1ccc2ccccc12 |r|
Ic1ccccc1O[C@H]([C@H]1CNCCO1)c1ccccc1 |r|
Ic1cccc(O[C@H]([C@H]2CNCCO2)c2ccccc2)c1 |r|
Ic1ccc(O[C@H]([C@H]2CNCCO2)c2ccccc2)cc1 |r|
Cc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O
COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(Cl)cc5)c5CCCCn5c4=O)CC3)c2c1
COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(c5CCCCn5c4=O)-c4ccccc4F)CC3)c2c1 |(34.52,-24.97,;33.01,-25.27,;32.53,-26.73,;33.55,-27.89,;33.06,-29.35,;31.55,-29.65,;30.77,-30.97,;29.27,-30.64,;29.12,-29.11,;27.79,-28.32,;26.45,-29.08,;25.13,-28.3,;25.14,-26.77,;23.82,-25.99,;22.48,-26.76,;21.15,-25.98,;19.81,-26.74,;18.48,-25.97,;18.49,-24.42,;19.83,-23.65,;17.16,-23.65,;15.82,-24.42,;14.5,-23.65,;13.17,-24.41,;13.17,-25.94,;14.49,-26.72,;15.81,-25.95,;17.14,-26.73,;17.13,-28.27,;17.15,-22.11,;15.82,-21.34,;15.83,-19.8,;17.15,-19.03,;18.49,-19.79,;18.5,-21.34,;19.83,-22.11,;26.47,-26,;27.8,-26.78,;30.54,-28.49,;31.02,-27.04,)|
COc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccc(OC)cc23)c1=O
COc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O
Cc1[nH]c2ccccc2c1C1CCN(CCCCn2c(=O)c(-c3ccc(F)cc3)c3CCCCn3c2=O)CC1
Cc1[nH]c2ccccc2c1C1CCN(CCCCn2c(=O)c(c3CCCCn3c2=O)-c2ccccc2Cl)CC1 |(29.32,-50.58,;30.47,-49.56,;31.97,-49.9,;32.75,-48.57,;34.25,-48.27,;34.75,-46.81,;33.72,-45.66,;32.22,-45.96,;31.73,-47.41,;30.31,-48.03,;28.99,-47.25,;27.65,-48.01,;26.32,-47.23,;26.34,-45.69,;25.01,-44.92,;23.68,-45.68,;22.35,-44.9,;21.01,-45.67,;19.68,-44.89,;19.69,-43.35,;21.02,-42.58,;18.36,-42.58,;17.02,-43.35,;15.7,-42.58,;14.37,-43.34,;14.36,-44.87,;15.69,-45.64,;17.01,-44.88,;18.34,-45.66,;18.33,-47.2,;18.35,-41.04,;17.02,-40.27,;17.02,-38.72,;18.35,-37.95,;19.69,-38.72,;19.69,-40.27,;21.03,-41.04,;27.67,-44.92,;29,-45.71,)|
Cc1[nH]c2ccccc2c1C1CCN(CCCCn2c(=O)c(-c3ccc(Cl)cc3)c3CCCCn3c2=O)CC1
COc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c(C)[nH]c3ccccc23)c1=O
Cc1[nH]c2ccccc2c1C1CCN(CCCCn2c(=O)c(-c3ccc(C)cc3)c3CCCCn3c2=O)CC1
COc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c(C)[nH]c3ccccc23)c1=O |(22.4,-17.18,;21.07,-17.96,;19.73,-17.19,;19.73,-15.64,;18.39,-14.87,;17.06,-15.64,;17.06,-17.19,;18.39,-17.96,;18.39,-19.5,;17.05,-20.27,;15.74,-19.5,;14.41,-20.26,;14.4,-21.79,;15.73,-22.56,;17.05,-21.8,;18.38,-22.58,;18.37,-24.12,;19.72,-21.81,;21.05,-22.59,;22.38,-21.83,;23.71,-22.6,;25.05,-21.84,;26.38,-22.62,;26.36,-24.15,;27.69,-24.93,;29.03,-24.17,;29.04,-22.63,;27.71,-21.84,;30.35,-24.95,;30.51,-26.48,;29.36,-27.51,;32.01,-26.82,;32.79,-25.49,;34.29,-25.19,;34.79,-23.74,;33.77,-22.58,;32.26,-22.89,;31.77,-24.34,;19.73,-20.27,;21.06,-19.5,)|
Cc1[nH]c2ccccc2c1C1CCN(CCCCn2c(=O)c(-c3ccccc3)c3CCCCn3c2=O)CC1
Cc1[nH]c2ccccc2c1C1CCN(CCCCn2c(=O)c(c3CCCCn3c2=O)-c2ccccc2F)CC1 |(28.64,-16.85,;29.8,-15.83,;31.3,-16.16,;32.07,-14.84,;33.58,-14.54,;34.07,-13.08,;33.05,-11.92,;31.55,-12.23,;31.06,-13.68,;29.64,-14.3,;28.31,-13.52,;26.97,-14.27,;25.65,-13.5,;25.67,-11.96,;24.34,-11.18,;23,-11.95,;21.67,-11.17,;20.33,-11.93,;19,-11.16,;19.01,-9.61,;20.35,-8.85,;17.68,-8.84,;16.34,-9.61,;15.02,-8.84,;13.69,-9.6,;13.69,-11.13,;15.01,-11.91,;16.34,-11.14,;17.67,-11.92,;17.66,-13.46,;17.68,-7.3,;16.35,-6.53,;16.35,-4.99,;17.67,-4.22,;19.01,-4.98,;19.02,-6.53,;20.35,-7.3,;26.99,-11.19,;28.33,-11.97,)|
Clc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O |(-4.37,-5.8,;-5.71,-5.03,;-5.71,-3.48,;-7.05,-2.72,;-8.38,-3.49,;-8.38,-5.04,;-7.05,-5.81,;-7.05,-7.35,;-8.39,-8.11,;-9.7,-7.35,;-11.03,-8.1,;-11.04,-9.64,;-9.71,-10.41,;-8.39,-9.65,;-7.06,-10.42,;-7.07,-11.96,;-5.72,-9.66,;-4.39,-10.44,;-3.06,-9.67,;-1.73,-10.45,;-.39,-9.69,;.94,-10.46,;.92,-12,;2.24,-12.77,;3.59,-12.02,;3.6,-10.48,;2.27,-9.69,;4.91,-12.8,;5.07,-14.33,;6.57,-14.66,;7.35,-13.34,;8.85,-13.04,;9.35,-11.58,;8.32,-10.43,;6.82,-10.73,;6.33,-12.18,;-5.71,-8.11,;-4.38,-7.35,)|
COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(F)cc5)c5CCCCn5c4=O)CC3)c2c1
COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(c5CCCCn5c4=O)-c4ccccc4C)CC3)c2c1 |(9.86,1.66,;8.35,1.35,;7.86,-.11,;8.88,-1.26,;8.39,-2.72,;6.88,-3.02,;6.11,-4.34,;4.61,-4.01,;4.45,-2.48,;3.12,-1.7,;1.78,-2.46,;.46,-1.68,;.48,-.14,;-.85,.63,;-2.19,-.13,;-3.52,.65,;-4.86,-.12,;-6.19,.66,;-6.18,2.2,;-4.84,2.97,;-7.51,2.97,;-8.85,2.21,;-10.16,2.97,;-11.5,2.22,;-11.5,.68,;-10.18,-.09,;-8.85,.67,;-7.52,-.11,;-7.53,-1.65,;-7.51,4.51,;-8.84,5.28,;-8.84,6.83,;-7.52,7.6,;-6.18,6.83,;-6.17,5.28,;-4.84,4.51,;1.8,.63,;3.13,-.16,;5.87,-1.86,;6.36,-.41,)|
Cc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O |(21.59,-46.69,;20.25,-45.92,;20.25,-44.37,;18.9,-43.61,;17.58,-44.38,;17.58,-45.93,;18.91,-46.7,;18.91,-48.24,;17.57,-49,;16.26,-48.24,;14.93,-48.99,;14.92,-50.53,;16.25,-51.3,;17.57,-50.54,;18.9,-51.32,;18.89,-52.86,;20.24,-50.55,;21.57,-51.33,;22.9,-50.56,;24.23,-51.34,;25.57,-50.58,;26.9,-51.35,;26.88,-52.89,;28.2,-53.66,;29.55,-52.91,;29.56,-51.37,;28.23,-50.58,;30.87,-53.69,;31.03,-55.22,;32.53,-55.55,;33.31,-54.23,;34.81,-53.93,;35.31,-52.47,;34.28,-51.32,;32.78,-51.62,;32.29,-53.07,;20.24,-49,;21.58,-48.24,)|
Fc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O |(-1.48,-44.82,;-2.82,-44.05,;-2.82,-42.5,;-4.16,-41.74,;-5.49,-42.51,;-5.49,-44.05,;-4.16,-44.82,;-4.16,-46.36,;-5.49,-47.13,;-6.81,-46.36,;-8.14,-47.12,;-8.15,-48.65,;-6.82,-49.43,;-5.5,-48.66,;-4.17,-49.44,;-4.18,-50.98,;-2.83,-48.68,;-1.5,-49.45,;-.16,-48.69,;1.17,-49.47,;2.5,-48.7,;3.83,-49.48,;3.81,-51.01,;5.14,-51.79,;6.48,-51.03,;6.49,-49.49,;5.16,-48.71,;7.8,-51.82,;7.96,-53.35,;9.46,-53.68,;10.24,-52.36,;11.74,-52.06,;12.24,-50.6,;11.21,-49.44,;9.71,-49.75,;9.22,-51.2,;-2.82,-47.13,;-1.49,-46.36,)|
COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(C)cc5)c5CCCCn5c4=O)CC3)c2c1
Oc1ccccc1CCCNCc1ccccc1F
Oc1ccccc1CCCNCc1ccccc1O
Oc1ccccc1CNCCCc1c[nH]c2ccc(F)cc12
Fc1ccc2[nH]cc(CCCNCc3ccccc3)c2c1
COc1ccc(CCN2CCC(Cc3cc(OC)ccc3Br)CC2)c(Cl)c1
CCOc1ccc(Br)c(CC2CCN(CCc3cc4OCCOc4cc3Cl)CC2)c1
COc1ccc(Br)c(CC2CCN(CCc3ccc(OC)c(Cl)c3)CC2)c1
COc1ccc(F)c(CC2CCN(CCc3ccccc3)CC2)c1
COc1ccc(Br)c(CC2CCN(CCc3cc(OC)c(OC)cc3Cl)CC2)c1
COc1cccc(CC2CCN(CCc3ccccc3)CC2)c1
COc1ccc(Br)c(CC2CCN(CCc3cccc4ccccc34)CC2)c1
COc1ccc(Br)c(CC2CCN(CCc3ccc(C)cc3)CC2)c1
COc1ccc(CCN2CCC(Cc3cc(OC)ccc3Br)CC2)cc1
COc1ccc(Br)c(CC2CCN(CCc3ccccc3OC)CC2)c1
COc1ccc(Br)c(CC2CCN(CCc3ccc(F)cc3)CC2)c1
COc1ccc(Br)c(CC2CCN(CCc3ccc(Cl)cc3)CC2)c1
COc1ccc(Br)c(CC2CCN(CCc3cccc(Cl)c3)CC2)c1
COc1ccc(Br)c(CC2CCN(CCc3ccc4OCCOc4c3)CC2)c1
COc1ccc(Br)c(CC2CCN(CCc3cc4OCCOc4cc3Cl)CC2)c1
COCCOc1ccc(Br)c(CC2CCN(CCc3cc4OCCOc4cc3Cl)CC2)c1
COc1ccc(Br)c(CC2CCN(CCc3ccccc3)CC2)c1
COc1ccc(F)c(CC2CCN(CC2)C2CCN(CC2)c2ccc(OC)c(OC)c2)c1
COc1ccc(Br)c(CC2CCN(CCc3ccccc3Cl)CC2)c1
COc1ccc(Br)c(CC2CCN(CCc3ccc(OC)c(OC)c3)CC2)c1
COc1cccc(CCN2CCC(Cc3cc(OC)ccc3Br)CC2)c1
COc1ccc(Br)c(CC2CCN(CCc3cccc4OCCOc34)CC2)c1
CC(C)Oc1ccc(Br)c(CC2CCN(CCc3cc4OCCOc4cc3Cl)CC2)c1
COc1ccc(Cl)c(CC2CCN(CCc3ccccc3)CC2)c1
COc1ccc(Br)c(CC2CCN(CCc3ccc4ccccc4c3)CC2)c1
C(N(C1CCNCC1)c1ncccn1)c1ccc2ccccc2c1
CCC(=O)N(Cc1ccc2ccccc2c1)C1CCNCC1
CC(=O)N(Cc1ccc2ccccc2c1)C1CCNCC1
CS(=O)(=O)N(Cc1ccc2ccccc2c1)[C@H]1CCNC1 |r|
O=C(NC1CCNCC1)c1ccc2ccccc2c1
CCCN(C1CCNCC1)C(=O)c1ccc2ccccc2c1
O=C(N(C1CCC1)C1CCNCC1)c1ccc2ccccc2c1
CC(C)N([C@@H]1CCNC1)C(=O)c1ccc2ccccc2c1 |r|
O=C(N(C1CCC1)[C@@H]1CCNC1)c1ccc2ccccc2c1 |r|
CC(=O)N(Cc1ccc2ccccc2c1)[C@@H]1CCNC1 |r|
CCC(=O)N(Cc1ccc2ccccc2c1)[C@@H]1CCNC1 |r|
O=C(N(C1CCCC1)[C@@H]1CCNC1)c1ccc2ccccc2c1 |r|
CC(C)CN([C@@H]1CCNC1)C(=O)c1ccc2ccccc2c1 |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1ccc2ccccc2c1 |r|
CN([C@@H]1CCNC1)C(=O)c1ccc(Cl)c(Cl)c1 |r|
CN([C@@H]1CCNC1)C(=O)c1ccc(Cl)c(Cl)c1C |r|
CCN([C@@H]1CCNC1)C(=O)c1ccc(Cl)c(Cl)c1C |r|
CC(C)N([C@@H]1CCNC1)C(=O)c1ccc(Cl)c(Cl)c1C |r|
Cc1c(Cl)c(Cl)ccc1C(=O)N(CC(C)(C)C)[C@H]1CCNC1 |r|
CS(=O)(=O)N(Cc1ccc2ccccc2c1)[C@@H]1CCNC1 |r|
Cc1c(CN([C@@H]2CCNC2)S(C)(=O)=O)ccc2cc(F)ccc12 |r|
CS(=O)(=O)N(Cc1ccc2ccccc2c1)C1CCNCC1
Cc1nnc2sc(C(=O)NCc3ccc(cc3)S(=O)(=O)C(F)F)c(N)c2c1C
Cc1nnc2sc(C(=O)NCc3ccc(cc3)S(F)(F)(F)(F)F)c(N)c2c1C
CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCCCCCCn1cc(COC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)nn1 |r,TLB:40:39:47:35.36,16:6:1:3.4,THB:9:7:1:3.4,31:33:47:35.36|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCCCCn1ccnn1 |r,TLB:16:6:1:4.3,THB:9:7:1:4.3|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C |r,TLB:11:10:18:6.7,THB:2:4:18:6.7|
CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCn1cc(COC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)nn1 |r,TLB:35:34:42:30.31,16:6:1:3.4,THB:9:7:1:3.4,26:28:42:30.31|
CN1C2CCC1[C@@H]([C@H](C2)c1ccc(cc1)-c1ccsc1)C(=O)NCCc1ccc(CNC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(cc2)-c2ccsc2)N3C)cc1 |r,TLB:40:39:51:35.36,20:6:1:3.4,THB:9:7:1:3.4,31:33:51:35.36|
CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)NCCc1ccc(CNC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)cc1 |r,TLB:36:35:43:31.32,16:6:1:3.4,THB:9:7:1:3.4,27:29:43:31.32|
CN1C2CCC1[C@@H]([C@H](C2)c1ccc(cc1)-c1ccsc1)C(=O)NCc1ccc(CNC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(cc2)-c2ccsc2)N3C)cc1 |r,TLB:39:38:50:34.35,20:6:1:3.4,THB:9:7:1:3.4,30:32:50:34.35|
CN1C2CCC1[C@@H]([C@H](C2)c1ccc(cc1)-c1ccsc1)C(=O)NCCCCCCCCCCNC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccsc1)N2C |r,TLB:43:42:54:38.39,20:6:1:3.4,THB:9:7:1:3.4,34:36:54:38.39|
CN1C2CCC1[C@@H]([C@H](C2)c1ccc(cc1)-c1ccsc1)C(=O)Nc1ccc(NC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(cc2)-c2ccsc2)N3C)cc1 |r,TLB:37:36:48:32.33,20:6:1:3.4,THB:9:7:1:3.4,28:30:48:32.33|
CN1C2CCC1[C@@H]([C@H](C2)c1ccc(cc1)-c1ccsc1)C(=O)NCCc1ccc(NC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(cc2)-c2ccsc2)N3C)cc1 |r,TLB:39:38:50:34.35,20:6:1:3.4,THB:9:7:1:3.4,30:32:50:34.35|
CN1C2CCC1[C@@H]([C@H](C2)c1ccc(cc1)-c1ccsc1)C(=O)NCCCCCCCCNC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccsc1)N2C |r,TLB:41:40:52:36.37,20:6:1:3.4,THB:32:34:52:36.37,9:7:1:3.4|
CN1C2CCC1[C@@H]([C@H](C2)c1ccc(cc1)-c1ccsc1)C(=O)NCc1ccc(NC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(cc2)-c2ccsc2)N3C)cc1 |r,TLB:38:37:49:33.34,20:6:1:3.4,THB:9:7:1:3.4,29:31:49:33.34|
CN1C2CCC1[C@@H]([C@H](C2)c1ccc(cc1)-c1ccsc1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccsc1)N2C |r,wU:7.10,32.36,38.44,26.33,6.23,wD:23.26,TLB:39:38:50:34.35,20:6:1:3.4,THB:30:32:50:34.35,9:7:1:3.4,(38.53,5.43,;37.77,4.09,;36.72,3.24,;37.35,1.91,;38.54,1.21,;37.53,2.54,;35.69,2.51,;34.73,1.68,;34.97,3.22,;33.95,.35,;34.72,-.99,;33.94,-2.31,;32.4,-2.3,;31.64,-.96,;32.42,.37,;31.51,-3.55,;29.97,-3.57,;29.5,-5.03,;30.76,-5.93,;31.99,-5.01,;35.08,4.43,;35.87,5.76,;33.54,4.45,;32.2,3.69,;30.86,4.46,;29.51,3.69,;29.52,2.14,;30.86,1.37,;32.2,2.14,;28.18,1.37,;26.85,2.14,;26.85,3.68,;25.52,1.36,;23.8,1.68,;22.93,.49,;21.64,.01,;22.88,1.14,;24.68,.79,;25.48,-.2,;26.19,-1.57,;25.34,-2.86,;26.05,-4.23,;27.59,-4.3,;28.42,-3,;27.71,-1.63,;28.3,-5.66,;27.41,-6.92,;28.33,-8.16,;29.79,-7.66,;29.77,-6.12,;22.91,2.71,;22.4,4.16,)|
CN1C2CCC1[C@@H]([C@H](C2)c1ccc(cc1)-c1ccsc1)C(=O)NCc1cccc(CNC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(cc2)-c2ccsc2)N3C)c1 |r,TLB:20:6:1:3.4,40:39:51:35.36,THB:9:7:1:3.4,31:33:51:35.36|
CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)NCc1ccc(NC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)cc1 |r,TLB:16:6:1:3.4,34:33:41:29.30,THB:9:7:1:3.4,25:27:41:29.30|
CN1C2CCC1[C@@H]([C@H](C2)c1ccc(cc1)-c1ccsc1)C(=O)NCCCCCCNC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccsc1)N2C |r,TLB:39:38:50:34.35,20:6:1:3.4,THB:9:7:1:3.4,30:32:50:34.35|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)NCCC1CCN(CC1)C(=O)[C@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C |r,TLB:36:35:43:32.31,16:6:1:4.3,THB:9:7:1:4.3,27:29:43:32.31|
CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)NCCc1ccc(NC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)cc1 |r,TLB:16:6:1:3.4,35:34:42:30.31,THB:9:7:1:3.4,26:28:42:30.31|
CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)cc1 |r,TLB:16:6:1:3.4,33:32:40:28.29,THB:9:7:1:3.4,24:26:40:28.29|
CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C |r,wU:28.31,34.39,22.28,7.10,6.18,wD:19.21,TLB:16:6:1:3.4,35:34:42:30.31,THB:9:7:1:3.4,26:28:42:30.31,(9.06,-3.73,;8.3,-5.07,;7.25,-5.92,;7.89,-7.24,;9.07,-7.94,;8.06,-6.61,;6.23,-6.64,;5.27,-7.48,;5.5,-5.93,;4.48,-8.81,;5.25,-10.14,;4.47,-11.46,;2.93,-11.45,;2.15,-12.78,;2.18,-10.11,;2.96,-8.78,;5.61,-4.72,;6.4,-3.4,;4.08,-4.7,;2.74,-5.47,;1.4,-4.69,;.05,-5.46,;.06,-7.01,;1.4,-7.78,;2.73,-7.01,;-1.28,-7.79,;-2.61,-7.01,;-2.61,-5.47,;-3.94,-7.79,;-5.66,-7.47,;-6.52,-8.66,;-7.81,-9.14,;-6.58,-8.01,;-4.78,-8.36,;-3.98,-9.35,;-3.27,-10.72,;-4.11,-12.01,;-3.41,-13.37,;-1.87,-13.45,;-1.16,-14.81,;-1.04,-12.15,;-1.75,-10.78,;-6.54,-6.45,;-7.05,-5,)|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccsc1)N2C |r,TLB:11:10:22:6.7,THB:2:4:22:6.7|
CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCCCCCn1cc(COC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)nn1 |r,TLB:39:38:46:34.35,16:6:1:3.4,THB:9:7:1:3.4,30:32:46:34.35|
CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Fc1ccc2[nH]cc(CCCNC3COc4c(F)cc5CCNC(=O)c5c4C3)c2c1
CCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)cc3CCNC(=O)c3c2C1
Fc1ccc2[nH]cc(CCCN(CC3CC3)C3COc4c(F)cc5CCNC(=O)c5c4C3)c2c1
Fc1ccc2[nH]cc(CCCNC3COc4ccc5CCNC(=O)c5c4C3)c2c1
CN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3CCNC(=O)c3c2C1
CCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3CCNC(=O)c3c2C1
CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3CCNC(=O)c3c2C1
CC(C)N(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3CCNC(=O)c3c2C1
Fc1ccc2[nH]cc(CCCN(CC3CC3)C3COc4ccc5CCNC(=O)c5c4C3)c2c1
CC(C)CN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3CCNC(=O)c3c2C1
Fc1ccc2[nH]cc(CCCN(C3CCC3)C3COc4ccc5CCNC(=O)c5c4C3)c2c1
Fc1ccc2[nH]cc(CCCN(CCC(F)(F)F)C3COc4ccc5CCNC(=O)c5c4C3)c2c1
Fc1ccc2[nH]cc(CCCN(C3COc4ccc5CCNC(=O)c5c4C3)C(=O)c3ccccc3)c2c1
Fc1ccc2[nH]cc(CCCNC3COc4ccc5CNC(=O)c5c4C3)c2c1
CN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3CNC(=O)c3c2C1
CCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3CNC(=O)c3c2C1
Fc1ccc2[nH]cc(CCCN(CC3CC3)C3COc4ccc5CNC(=O)c5c4C3)c2c1
Fc1ccc2[nH]cc(CCCN(C3CCC3)C3COc4ccc5CNC(=O)c5c4C3)c2c1
CC(C)CN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3CNC(=O)c3c2C1
Fc1ccc2[nH]cc(CCCN(CC3CCCCC3)C3COc4ccc5CNC(=O)c5c4C3)c2c1
Fc1ccc2[nH]cc(CCCN(C3COc4ccc5CNC(=O)c5c4C3)C(=O)c3ccccc3)c2c1
O=C1NCc2ccc3OCC(Cc3c12)NCCCc1c[nH]c2ccc(cc12)C#N
O=C1NCc2ccc3OCC(Cc3c12)N(CCCCc1c[nH]c2ccc(cc12)C#N)CC1CC1
Fc1ccc2[nH]cc(CCCCNC3COc4ccc5CNC(=O)c5c4C3)c2c1
Fc1ccc2[nH]cc(CCCCN(CC3CC3)C3COc4ccc5CNC(=O)c5c4C3)c2c1
Fc1ccc2occ(CCN3CCC(=CC3)c3c[nH]c4ccccc34)c2c1 |c:13|
Fc1ccc2occ(CCN3CCC(=CC3)c3c[nH]c4ccc(cc34)C#N)c2c1 |c:13|
Fc1ccc2[nH]cc(C3=CCN(CCc4coc5ccc(F)cc45)CC3)c2c1 |t:8|
COc1ccc2occ(CCN3CCC(=CC3)c3c[nH]c4ccccc34)c2c1 |c:14|
COc1ccc2occ(CCN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)c2c1 |c:14|
COc1ccc2occ(CCN3CCC(=CC3)c3c[nH]c4cc(F)ccc34)c2c1 |c:14|
CCc1cccc2c(c[nH]c12)C1=CCN(CCc2coc3ccc(OC)cc23)CC1 |t:13|
COc1ccc2c(CCN3CCC(=CC3)c3c[nH]c4ccccc34)coc2c1 |c:12|
COc1ccc2c(CCN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)coc2c1 |c:12|
COc1ccc2c(CCN3CCC(=CC3)c3c[nH]c4cc(F)ccc34)coc2c1 |c:12|
COc1ccc2c(CCN3CCC(=CC3)c3c[nH]c4ccc(cc34)C#N)coc2c1 |c:12|
COc1cccc2c(CCN3CCC(=CC3)c3c[nH]c4ccccc34)coc12 |c:13|
COc1cccc2c(CCN3CCC(=CC3)c3c[nH]c4cc(F)ccc34)coc12 |c:13|
COc1cccc2c(CCN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)coc12 |c:13|
COc1cccc2c(CCN3CCC(=CC3)c3c[nH]c4ccc(cc34)C#N)coc12 |c:13|
COc1cccc2c(coc12)C(C)CN1CCC(=CC1)c1c[nH]c2ccccc12 |c:19|
COc1cccc2c(coc12)C(C)CN1CCC(=CC1)c1c[nH]c2ccc(F)cc12 |c:19|
COc1cccc2c(coc12)C(C)CN1CCC(=CC1)c1c[nH]c2cc(F)ccc12 |c:19|
C(Cc1coc2ccccc12)N1CCC(=CC1)c1c[nH]c2ccccc12 |c:16|
CCc1cccc2c(c[nH]c12)C1=CCN(CCc2coc3ccccc23)CC1 |t:13|
Fc1ccc2c(c[nH]c2c1)C1=CCN(CCc2coc3ccccc23)CC1 |t:12|
N#Cc1ccc2[nH]cc(C3=CCN(CCc4coc5ccccc45)CC3)c2c1 |t:9|
Fc1ccc2[nH]cc(C3=CCN(CCc4coc5ccccc45)CC3)c2c1 |t:8|
Clc1ccc2c(CCN3CCC(=CC3)c3c[nH]c4ccccc34)coc2c1 |c:11|
Fc1ccc2[nH]cc(C3=CCN(CCc4coc5cc(Cl)ccc45)CC3)c2c1 |t:8|
Fc1ccc2c(c[nH]c2c1)C1=CCN(CCc2coc3cc(Cl)ccc23)CC1 |t:12|
Clc1ccc2occ(CCN3CCC(=CC3)c3c[nH]c4ccccc34)c2c1 |c:13|
Fc1ccc2[nH]cc(C3=CCN(CCc4coc5ccc(Cl)cc45)CC3)c2c1 |t:8|
Fc1ccc2c(c[nH]c2c1)C1=CCN(CCc2coc3ccc(Cl)cc23)CC1 |t:12|
CNC[C@@H](O)[C@@H](N(C)c1ccccc1C)c1ccccc1 |r|
CNC[C@@H](O)[C@@H](N(C)c1ccccc1)c1cccc(F)c1 |r|
CNC[C@@H](O)[C@@H](N1CCc2ccccc12)c1ccccc1 |r|
CNC[C@@H](O)[C@@H](N1CCc2ccccc12)c1cccc(F)c1 |r|
CNC[C@@H](O)[C@@H](N1C(C)Cc2ccccc12)c1cccc(F)c1 |r|
CNC[C@@H](O)[C@@H](N1CC(C)c2ccccc12)c1cccc(F)c1 |r|
CNC[C@@H](O)[C@@H](N1C[C@@H](C)c2ccccc12)c1cccc(F)c1 |r|
CNC[C@@H](O)[C@@H](N1C[C@H](C)c2ccccc12)c1cccc(F)c1 |r|
CCC1CN([C@H]([C@H](O)CNC)c2cccc(F)c2)c2ccccc12 |r|
CNC[C@@H](O)[C@@H](N1CC(C(C)C)c2ccccc12)c1cccc(F)c1 |r|
CNC[C@@H](O)[C@@H](N1CCc2cc(C)ccc12)c1cccc(F)c1 |r|
CNC[C@@H](O)[C@@H](N1CCc2cc(Cl)ccc12)c1cccc(F)c1 |r|
CNC[C@@H](O)[C@@H](N1CCc2cc(OCc3ccccc3)ccc12)c1cccc(F)c1 |r|
CNC[C@@H](O)[C@@H](N1CCc2cccc(C)c12)c1cccc(F)c1 |r|
CNC[C@@H](O)[C@@H](N1CC(C)(C)c2ccccc12)c1cccc(F)c1 |r|
CCC1(CC)CN([C@H]([C@H](O)CNC)c2cccc(F)c2)c2ccccc12 |r|
CNC[C@@H](O)[C@@H](N1CC2(CCCC2)c2ccccc12)c1cccc(F)c1 |r|
CNC[C@@H](O)[C@@H](N1CC2(CCCCC2)c2ccccc12)c1cccc(F)c1 |r|
CNC[C@@H](O)[C@@H](N1CC(C)(C)c2ccccc12)c1ccccc1 |r|
CNC[C@@H](O)[C@@H](N1CC(C)(C)c2ccccc12)c1cc(F)cc(F)c1 |r|
CNC[C@@H](O)[C@@H](N1CC(C)(C)c2cc(F)ccc12)c1cccc(F)c1 |r|
CNC[C@@H](O)[C@@H](N1CC(C)(C)c2ccc(F)cc12)c1cccc(F)c1 |r|
CNC[C@@H](O)[C@@H](N1CC(C)(C)c2cccc(F)c12)c1ccccc1 |r|
CNC[C@@H](O)[C@@H](N1CC(C)(C)c2cccc(F)c12)c1cccc(F)c1 |r|
CC(NC(C)(C)C)C(=O)c1ccc(F)c(F)c1
CC(NC(C)(C)C)C(=O)c1ccc(C)c(Cl)c1
CC(NC(C)(C)C)C(=O)c1ccc(Br)c(C)c1
CC(NC(C)(C)C)C(=O)c1cc(Cl)cc(Cl)c1
CCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
CC(NC1CCCC1)C(=O)c1cccc(F)c1
CC(NC1CCCC1)C(=O)c1cccc(Cl)c1
CC(NC1CCCC1)C(=O)c1cccc(Br)c1
CC(NC1CCCC1)C(=O)c1cccc(C)c1
CC(NC1CCCC1)C(=O)c1cccc(c1)[N+]([O-])=O
CC(N(C)C(C)(C)C)C(=O)c1cccc(Cl)c1
CC(N(C)C)C(=O)c1cccc(Cl)c1
CC(N1CCCCC1)C(=O)c1cccc(F)c1
CC(N1CCCCC1)C(=O)c1cccc(Br)c1
CC(N1CCCCC1)C(=O)c1cccc(C)c1
COc1cccc(c1)C(=O)C(C)N1CCCCC1
CC(N1CCCCC1)C(=O)c1cccc(c1)[N+]([O-])=O
CC(N1CCCCC1)C(=O)c1cccc(Cl)c1
CC(NC(C)(C)C)C(=O)c1cccs1
CC(CNC(C)(C)C)C(=O)c1cccc(Cl)c1
CCC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1
CCCC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1
CC(NC(C)(C)C)C(=O)c1ccc(Br)cc1
COc1cccc(c1)C(=O)C(C)NC1CCCC1
CC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1
CC(NC(C)(C)C)C(=O)c1ccc(Cl)cc1
CCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
CC(NC(C)(C)C)C(=O)c1cccc(F)c1
CC(NC(C)(C)C)C(=O)c1cccc(Br)c1
CC(NC(C)(C)C)C(=O)c1cccc(C)c1
COc1cccc(c1)C(=O)C(C)NC(C)(C)C
CC(NC(C)(C)C)C(=O)c1cccc(c1)[N+]([O-])=O
CC(NC(C)(C)C)C(=O)c1ccc(C)cc1
CN(C)Cc1ccc(F)cc1Sc1ccc(C)cc1N
CN(C)Cc1ccc(F)cc1Oc1ccc(C)cc1N
CN(C)Cc1ccc(OCCF)cc1Oc1ccc(C)cc1N
CN(C)Cc1cc(OCCF)ccc1Oc1ccc(C)cc1N
CN(C)Cc1ccc(OCCCF)cc1Oc1ccc(C)cc1N
CN(C)Cc1cc(OCCCF)ccc1Oc1ccc(C)cc1N
CN(C)Cc1cc(OCCCCF)ccc1Oc1ccc(C)cc1N
COc1ccc2cc(ccc2c1Cl)[C@@H](O)[C@H](C)N1CCN(Cc2ccccc2)CC1 |r|
COc1ccc2cc(ccc2c1Cl)[C@H](O)[C@H](C)N1CCN(Cc2ccccc2)CC1 |r|
COc1ccc2cc(ccc2c1Cl)[C@H](O)[C@@H](C)N1CCN(Cc2ccccc2)CC1 |r|
COc1ccc2cc(ccc2c1Cl)[C@@H](O)[C@@H](C)N1CCN(Cc2ccccc2)CC1 |r|
Fc1ccccc1Oc1cccc(F)c1C1CCNCC1
C1CC(CCN1)c1cccnc1Oc1ccccc1
Fc1ccccc1Oc1ncccc1C1CCNCC1
Clc1ccccc1Oc1ncccc1C1CCNCC1
COc1ccccc1Oc1ncccc1C1CCNCC1
Cc1ccccc1Oc1ncccc1C1CCNCC1
FC(F)(F)c1ccccc1Oc1ncccc1C1CCNCC1
Clc1cccc(Oc2ncccc2C2CCNCC2)c1Cl
Fc1cccc(Oc2ncccc2C2CCNCC2)c1F
Cc1ccc(Oc2ncccc2C2CCNCC2)c(F)c1
Clc1ccc(Oc2ncccc2C2CCNCC2)c(Cl)c1
Fc1ccc(Oc2ncccc2C2CCNCC2)c(F)c1
Fc1ccc(Cl)c(Oc2ncccc2C2CCNCC2)c1
COc1cccc(F)c1Oc1ncccc1C1CCNCC1
Fc1cccc(Cl)c1Oc1ncccc1C1CCNCC1
Fc1cccc(F)c1Oc1ncccc1C1CCNCC1
Cc1cccc(F)c1Oc1ncccc1C1CCNCC1
Clc1ccccc1Oc1ncccc1N1CCNCC1
Fc1cccc(Cl)c1Oc1ncccc1N1CCNCC1
N#Cc1ccc2[nH]cc(CCC3CCCCN3)c2c1
CN1CCCCC1CCc1c[nH]c2ccc(cc12)C#N
CCN1CCCCC1CCc1c[nH]c2ccc(cc12)C#N
FC(F)(F)CCN1CCCCC1CCc1c[nH]c2ccc(cc12)C#N
N#Cc1ccc2[nH]cc(CCC3CCCCN3Cc3ccccc3)c2c1
FC(F)(F)c1cc(CN2CCCCC2CCc2c[nH]c3ccc(cc23)C#N)cc(c1)C(F)(F)F
CC1(CCc2c[nH]c3ccc(cc23)C#N)CCCCN1
CN1CCCCC1(C)CCc1c[nH]c2ccc(cc12)C#N
N#Cc1ccc2[nH]cc(CC[C@H]3C[C@@H](Cc4ccccc4)CCN3)c2c1 |r|
CN1CC[C@H](Cc2ccccc2)C[C@@H]1CCc1c[nH]c2ccc(cc12)C#N |r|
CN1CCOCC1CCc1c[nH]c2ccc(cc12)C#N
N#Cc1ccc2[nH]cc(CCC3CCCN3)c2c1
CN1CCCC1CCc1c[nH]c2ccc(cc12)C#N
CN1CCc2ccccc2C1CCc1c[nH]c2ccc(cc12)C#N
CN1CCc2ccccc2C1CCc1c[nH]c2ccc(F)cc12
COc1ccc2[nH]cc(CCC3N(C)CCc4ccccc34)c2c1
CN(C)CCCc1c[nH]c2ccc(cc12)C#N
CCN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
CCCN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
FC(F)(F)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Clc1cccc(C(=O)N(CCC2CC2)[C@H]2CCNC2)c1Cl |r|
CC(C)(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Clc1cccc(C(=O)N(C2CCCC2)[C@H]2CCNC2)c1Cl |r|
CCC(CC)N([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Clc1cccc(C(=O)N([C@H]2CCNC2)C2=CCOC=C2)c1Cl |r,c:19,t:15|
Clc1cccc(C(=O)N([C@H]2CCNC2)c2ccccc2)c1Cl |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1ccc(Cl)cc1Cl |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1cc(Cl)ccc1Cl |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1cc(Cl)cc(Cl)c1 |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1ccc(Cl)c(Cl)c1 |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1 |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1C |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(F)c1C |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(F)c1Cl |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1F |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(F)c1C(F)(F)F |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1ccc(F)cc1Cl |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1ccccc1C(C)C |r|
CC(C)CN([C@@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
CCSc1ccc(CC(C)N)cc1
CC(N)Cc1ccc(SCc2ccccc2)cc1
CC(N)Cc1ccc(SCCN(C)C)cc1
CC(N)Cc1ccc(Sc2ccccc2)cc1
CCSc1ccc(CC(C)NC)cc1
CCNC(C)Cc1ccc(SCC)cc1
CCSc1ccc(CC(C)NO)cc1
CCSc1ccc(CC(C)N(C)O)cc1
CCSc1ccc(CC(N)CC)cc1
CCNC(CC)Cc1ccc(SCC)cc1
CCSc1ccc(CC(CC)NO)cc1
CCSc1ccc(CC(CC)N(C)O)cc1
CCC(N)Cc1ccc(SC)cc1
CCC(Cc1ccc(SC)cc1)NC
CCNC(CC)Cc1ccc(SC)cc1
CCCNC(CC)Cc1ccc(SC)cc1
CCC(Cc1ccc(SC)cc1)NC(C)C
CCC(Cc1ccc(SC)cc1)NC1CC1
CCC(Cc1ccc(SC)cc1)NCC#C
CCC(Cc1ccc(SC)cc1)NCCOC
CCC(Cc1ccc(SC)cc1)NO
CCC(Cc1ccc(SC)cc1)N(C)OC
CCC(N)c1ccc(SC)cc1
CNC(C)Cc1ccc(SC)cc1
CCNC(C)Cc1ccc(SC)cc1
CSc1ccc(CC(C)NC(C)C)cc1
CSc1ccc(CC(C)NC2CC2)cc1
CSc1ccc(CC(C)NCC=C)cc1
CSc1ccc(CC(C)NCC#C)cc1
CSc1ccc(CC(C)NCCO)cc1
COCCNC(C)Cc1ccc(SC)cc1
CSc1ccc(CC(C)N(C)C)cc1
CSc1ccc(CC(C)N(C)O)cc1
CON(C)C(C)Cc1ccc(SC)cc1
CSc1ccc(CC(C)NO)cc1
CONC(C)Cc1ccc(SC)cc1
COc1ccc(CC(C)N)cc1
CCSc1ccc(CC(CC)NC)cc1
O=C(N1CCN(CC1)C(=O)c1ccc2cc[nH]c2c1)c1ccc(cc1)-c1ccccc1
COc1cccc(c1)-c1ccc(cc1)C(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r|
COc1cccc(c1)-c1ccc(cc1)C(=O)N1CCN([C@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r|
C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1cccc(OC(F)(F)F)c1 |r|
C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r|
C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1cccc(F)c1 |r|
C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1 |r|
COc1ccccc1-c1ccc(cc1)C(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r|
C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1F |r|
C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1Cl |r|
C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1C(F)(F)F |r|
C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1C |r|
COc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r|
C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccc(OC(F)(F)F)cc1 |r|
C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccc(F)cc1 |r|
Cc1[nH]c(cc1C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1)-c1ccccc1
Cc1c(cc(-c2ccccc2)n1C)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1
CCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1
CCCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1
CC(C)Cn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1
Cc1c(cc(-c2ccccc2)n1N1CCCCC1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1
Cc1c(cc(-c2ccccc2)n1-c1ccc(F)cc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1
Cc1c(cc(-c2ccccc2)n1Cc1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1
Cc1c(cc(-c2ccccc2)n1CC1CCCCC1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1
Cc1[nH]c(cc1C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C)-c1ccccc1
Cc1c(cc(-c2ccccc2)n1C)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
CCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
CCCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
CC(C)Cn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
Cc1c(cc(-c2ccccc2)n1N1CCCCC1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
Cc1c(cc(-c2ccccc2)n1-c1ccc(F)cc1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
Cc1c(cc(-c2ccccc2)n1Cc1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
Cc1c(cc(-c2ccccc2)n1CC1CCCCC1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
Cc1[nH]c(cc1C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl)-c1ccccc1
Cc1c(cc(-c2ccccc2)n1C)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
CCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
CCCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
CC(C)Cn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Cc1c(cc(-c2ccccc2)n1N1CCCCC1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Cc1c(cc(-c2ccccc2)n1-c1ccc(F)cc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Cc1c(cc(-c2ccccc2)n1Cc1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Cc1c(cc(-c2ccccc2)n1CC1CCCCC1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Cc1[nH]c(cc1C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1Cl)-c1ccccc1
Cc1c(cc(-c2ccccc2)n1C)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1Cl
CCCn1c(C)c(cc1-c1ccccc1)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1Cl
Cc1c(cc(-c2ccccc2)n1C)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
CCCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Cc1[nH]c(cc1C(=O)NCCCCN1CCN(CC1)c1cccc(C)c1C)-c1ccccc1
Cc1c(cc(-c2ccccc2)n1C)C(=O)NCCCCN1CCN(CC1)c1cccc(C)c1C
CCCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCCN1CCN(CC1)c1cccc(C)c1C
Fc1ccc2c(c[nH]c2c1)C1=CCN(CCN2c3cccc4CCCN(c34)S2(=O)=O)CC1 |t:12|
Fc1ccc(OC[C@@H]2CNCCO2)c2CCCc12 |r|
CS(=O)(=O)Nc1cc(OCCN2CC3CCC(C2)C3Cc2ccc3CCC(=O)Nc3c2)ccc1F
CS(=O)(=O)Nc1cccc(OCCN2CC3CCC(C2)C3Cc2ccc3CCC(=O)Nc3c2)c1
O=C1Cc2c(N1)ccc1O[C@H](CN3CC4CCC(C3)C4Cc3ccc4CCC(=O)Nc4c3)COc21 |r|
O=C1Cc2c(N1)ccc1O[C@H](CN3C4CCC3CC(Cc3ccc5CCC(=O)Nc5c3)C4)COc21 |r|
CS(=O)(=O)Nc1cc(OCCN2CCC(CC2)Oc2ccc3CCC(=O)Nc3c2)ccc1F
CS(=O)(=O)Nc1cccc(OCCN2CCC(CC2)Oc2ccc3CCC(=O)Nc3c2)c1
O=C1Cc2c(N1)ccc1O[C@H](CN3CCC(CC3)Oc3ccc4CCC(=O)Nc4c3)COc21 |r|
CS(=O)(=O)Nc1cc(OCCN2CCC(Cc3ccc4CCC(=O)Nc4c3)CC2)ccc1F
CS(=O)(=O)Nc1cccc(OCCN2CCC(Cc3ccc4CCC(=O)Nc4c3)CC2)c1
O=C1Cc2c(N1)ccc1O[C@H](CN3CCC(Cc4ccc5CCC(=O)Nc5c4)CC3)COc21 |r|
O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4[nH]c(=O)oc34)cc2N1
O=C1CCc2ccc(OCCCN3CCN(CC3)c3cccc4[nH]c(=O)oc34)cc2N1
O=C1CCc2ccc(OCCN3CCN(CC3)c3cccc4[nH]c(=O)oc34)cc2N1
CN1CCN(C[C@H](c2cccc(Cl)c2)C2(O)CCCCC2)CC1 |r|
COC(=O)C1C2CCC(C2)CC1c1ccc(Cl)c(Cl)c1 |TLB:12:11:9:6.7,THB:2:4:9:6.7|
CNCCCCN1c2ccccc2N(c2ccccc2F)S1(=O)=O
CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O |r|
CO\N=C1/CN2CC1[C@@H](CC2)c1ccc(Cl)cc1 |TLB:11:8:6:3.4|
CO\N=C1/CN2CC1[C@H](CC2)c1ccc(Cl)cc1
CN1CC2[C@H](CN3CCN(C\C=C\c4ccccc4)CC3)ON=C2c2ccccc12 |r,c:24|
CC(=NOC(=O)Nc1ccccc1)c1cccc(c1)-c1cccs1 |w:2.2|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)NCCCNC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:16:6:1:4.3,THB:23:25:39:27.28|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)NCCCCCCCCNC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:16:6:1:4.3,THB:28:30:44:32.33|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)NCCCCCCNC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:16:6:1:4.3,THB:26:28:42:30.31|
Cc1c(cc(-c2ccccc2)n1C)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1C
Cc1c(cc(n1C)C(C)(C)C)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1C
Cc1c(cc(-c2ccccc2)n1C)C(=O)NCCCN1CCN(CC1)c1ccc(Cl)cc1Cl
Cc1c(cc(-c2ccccc2)n1C)C(=O)NCCCN1CCN(CC1)c1ccccc1Br
COc1cccc(N2CCN(CCCNC(=O)c3cc(-c4ccccc4)n(C)c3C)CC2)c1OC
Cc1c(cc(-c2ccccc2)n1C)C(=O)NCCCN1CCN(CC1)c1ccc(F)cc1
Cc1c(cc(-c2ccccc2)n1C)C(=O)NCCCN1CCN(CC1)c1cccc2cccnc12
Cc1c(cc(-c2ccccc2)n1C)C(=O)NCCCN1CCN(CC1)c1cccc2ccc(C)nc12
Cc1c(cc(-c2ccccc2)n1C)C(=O)NCCCN1CCN(CC1)c1ccncc1
CCCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1ccc(Cl)c(Cl)c1
CCCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Br)c1
CCCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1ccccc1OC
CCCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(OC)c1
CCCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(OC)c1OC
CCCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cc(F)ccc1F
CCCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(c1)C(F)(F)F
CCCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc2cccnc12
CCCn1c(C)c(cc1-c1ccccc1)C(=O)N(C)CCCN1CCN(CC1)c1cccc(C)c1C
CN(CCCN1CCN(CC1)c1cccc(Cl)c1Cl)C(=O)c1cc(-c2ccccc2)n(C)c1C
CCCn1c(C)c(cc1-c1ccccc1)C(=O)N(C)CCCN1CCN(CC1)c1cccc(Cl)c1Cl
Cc1[nH]c(c(C)c1C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1Cl)-c1ccccc1
Cc1c(C(=O)NCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n(C)c1-c1ccccc1
CCCn1c(C)c(C(=O)NCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)c1-c1ccccc1
Cc1[nH]c(c(C)c1C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl)-c1ccccc1
Cc1[nH]c(cc1C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C)-c1ccc(Cl)cc1
Cc1c(cc(-c2ccc(Cl)cc2)n1C)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
CCn1c(C)c(cc1-c1ccc(Cl)cc1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
CCCn1c(C)c(cc1-c1ccc(Cl)cc1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
Cc1[nH]c(cc1C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl)-c1ccc(Cl)cc1
Cc1c(cc(-c2ccc(Cl)cc2)n1C)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
CCn1c(C)c(cc1-c1ccc(Cl)cc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
CCCn1c(C)c(cc1-c1ccc(Cl)cc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Cc1[nH]c(cc1C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl)-c1ccccn1
Cc1c(cc(-c2ccccn2)n1C)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
CCCn1c(C)c(cc1-c1ccccn1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Cc1c(cc(-c2cccnc2)n1C)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
CCCn1c(C)c(cc1-c1cccnc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Cc1c(cc(-c2ccncc2)n1C)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
CCCn1c(C)c(cc1-c1ccncc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Cc1c(cc(n1C)C(C)(C)C)C(=O)NCCN1CCN(CC1)c1cccc(C)c1C
Cc1c(cc(n1C)C(C)(C)C)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
Cc1c(cc(n1C)C(C)(C)C)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1Cl
Cc1[nH]c(cc1C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl)C(C)(C)C
Cc1c(cc(n1C)C(C)(C)C)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
CN(C)CCCC1(OCc2cc(Br)ccc12)c1ccc(F)cc1
CN(C)CCCC1(OCc2c1cccc2Br)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(ccc12)-c1ccccc1)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(ccc12)-c1cccc(N)c1)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(\C=C\c3ccccc3)ccc12)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(ccc12)-c1cccc(c1)C#N)c1ccc(F)cc1
COc1cccc(c1)-c1ccc2c(COC2(CCCN(C)C)c2ccc(F)cc2)c1
CN(C)CCCC1(OCc2cc(ccc12)-c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(ccc12)-c1cc(F)cc(F)c1)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(CCc3ccccc3)ccc12)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(ccc12)-c1cccc(F)c1)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(ccc12)-c1cccc(Cl)c1)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(\C=C\c3ccc(Cl)cc3)ccc12)c1ccc(F)cc1
CN(C)CCCC1(OCc2c1cccc2-c1ccccc1)c1ccc(F)cc1
CN(C)CCCC1(OCc2c1cccc2\C=C\c1ccccc1)c1ccc(F)cc1
CN(C)CCCC1(OCc2c1cccc2-c1cccc(F)c1)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(I)ccc12)c1ccc(F)cc1
CN(C)CCC[C@@]1(OCc2cc(\C=C\c3ccc(cc3)C#N)ccc12)c1ccc(F)cc1 |r|
CN(C)CCC[C@]1(OCc2cc(Br)ccc12)c1ccc(F)cc1 |r|
CN(C)CCC[C@@]1(OCc2cc(Br)ccc12)c1ccc(F)cc1 |r|
CN(C)CCC[C@]1(OCc2cc(\C=C\c3ccccc3)ccc12)c1ccc(F)cc1 |r|
CN(C)CCC[C@@]1(OCc2cc(\C=C\c3ccccc3)ccc12)c1ccc(F)cc1 |r|
Fc1ccc2SCC3CON(C3c2c1)C(=O)NC1CCCCC1
C[C@H]1CC[C@H](C)N1CCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCOCC1
CCN(CC)C1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Cc1cc2CNC(=O)c2cc1OCCCCN1CCN(CC1)c1cccc2cc(F)ccc12
Fc1ccc2c(cccc2c1)N1CCN(CCCOc2ccc3CNC(=O)c3c2F)CC1
Fc1cc2CNC(=O)c2cc1OCCCCN1CCN(CC1)c1cccc2cccc(F)c12
Fc1cccc2cccc(N3CCN(CCCCOc4cc5C(=O)NCc5cc4Cl)CC3)c12
Cc1c2C(=O)NCc2ccc1OCCCCN1CCN(CC1)c1cccc2cc(F)ccc12
Fc1cccc2cccc(N3CCN(CCCCOc4ccc5CNC(=O)c5c4F)CC3)c12
Fc1cc2CNC(=O)c2cc1OCCCN1CCN(CC1)c1cccc2ccccc12
Clc1cc2CNC(=O)c2cc1OCCCN1CCN(CC1)c1cccc2ccccc12
Fc1c2C(=O)NCc2ccc1OCCCN1CCN(CC1)c1cccc2ccccc12
Clc1cc2CNC(=O)c2cc1OCCCCN1CCN(CC1)c1cccc2ccccc12
Clc1c2C(=O)NCc2ccc1OCCCN1CCN(CC1)c1cccc2ccccc12
Fc1ccc2cccc(N3CCN(CCCCOc4cc5C(=O)NCc5cc4F)CC3)c2c1
Cc1cc2CNC(=O)c2cc1OCCCCN1CCN(CC1)c1cccc2cccc(F)c12
Fc1cccc2cccc(N3CCN(CCCOc4ccc5CNC(=O)c5c4F)CC3)c12
Cc1cc2CNC(=O)c2cc1OCCCN1CCN(CC1)c1cccc2cccc(F)c12
Cc1c2C(=O)NCc2ccc1OCCCN1CCN(CC1)c1cccc2ccccc12
Fc1cccc2cccc(N3CCN(CCCCOc4ccc5CNC(=O)c5c4Cl)CC3)c12
Fc1cccc2cccc(N3CCN(CCCOc4ccc5CNC(=O)c5c4Cl)CC3)c12
Fc1ccc2cccc(N3CCN(CCCCOc4ccc5CNC(=O)c5c4F)CC3)c2c1
Cc1c2C(=O)NCc2ccc1OCCCCN1CCN(CC1)c1cccc2cccc(F)c12
Cc1c2C(=O)NCc2ccc1OCCCCN1CCN(CC1)c1cccc2ccccc12
Fc1ccc2cccc(N3CCN(CCCOc4cc5C(=O)NCc5cc4F)CC3)c2c1
Cc1c2C(=O)NCc2ccc1OCCCN1CCN(CC1)c1cccc2cccc(F)c12
O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4ccccc34)cc12
Fc1ccc2cccc(N3CCN(CCCOc4ccc5CNC(=O)c5c4F)CC3)c2c1
Cc1cc2CNC(=O)c2cc1OCCCCN1CCN(CC1)c1cccc2ccccc12
Cc1cc2CNC(=O)c2cc1OCCCN1CCN(CC1)c1cccc2ccccc12
Fc1c2C(=O)NCc2ccc1OCCCCN1CCN(CC1)c1cccc2ccccc12
Fc1ccc2c(cccc2c1)N1CCN(CCCCOc2ccc3CNC(=O)c3c2F)CC1
Fc1ccc2c(cccc2c1)N1CCN(CCCCOc2cc3C(=O)NCc3cc2F)CC1
Fc1ccc2c(cccc2c1)N1CCN(CCCOc2cc3C(=O)NCc3cc2F)CC1
Cc1cc2CNC(=O)c2cc1OCCCN1CCN(CC1)c1cccc2cc(F)ccc12
Fc1cc2CNC(=O)c2cc1OCCCN1CCN(CC1)c1cccc2cccc(F)c12
Fc1cccc2cccc(N3CCN(CCCOc4cc5C(=O)NCc5cc4Cl)CC3)c12
Cc1c2C(=O)NCc2ccc1OCCCN1CCN(CC1)c1cccc2cc(F)ccc12
Fc1cccc2cccc(N3CCN(CCCCOc4ccc5CNC(=O)c5c4)CC3)c12
Fc1cc2CNC(=O)c2cc1OCCCCN1CCN(CC1)c1cccc2ccccc12
CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
OCCCN1CCN(CC1)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
CN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
OCCCCN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
OCCN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
CN[C@H]1CC[C@@H](c2ccc(Cl)cc2)c2ccccc12
COc1c(C)nc(C)nc1C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1Cl
COc1c(C)nc(C)nc1C(=O)NCCN1CCN(CC1)c1cccc(C)c1C
COc1c(C)nc(C)nc1C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
Cc1cc(nc(n1)C1CC1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
CSc1nc(C)cc(n1)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1Cl
CSc1nc(C)cc(n1)C(=O)NCCN1CCN(CC1)c1cccc(C)c1C
CSc1nc(C)cc(n1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
Cc1cc(nc(n1)C(C)(C)C)C(=O)NCCN1CCN(CC1)c1cccc(C)c1C
Cc1cc(nc(n1)C(C)(C)C)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
Cc1nc(cc(n1)C(C)(C)C)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
CC(C)c1cc(nc(C)n1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
Cc1nc(cc(n1)-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
CC(C)c1cc(nc(C)n1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Cc1cc(nc(C)n1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
CCNC1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
CN(C)C1CC(c2ccccc12)c1ccc(Br)cc1
CN(C)C1CC(c2ccccc12)c1ccc(Cl)cc1
CNCCCC(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
CNCCC(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
CNCCCN(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
CNCCN(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
CNCCC(c1ccccc1)c1cccc2ccccc12
CNCCC(c1ccccc1)c1ccc(O)c2ccc(OCCN3CCCC3)cc12
CN(C)C1CCC(C1)c1c[nH]c2cccc(F)c12
CN(C)C1CCC(C1)c1c[nH]c2cccc(Br)c12
CN(C)[C@@H]1CC[C@@H](C1)c1c[nH]c2ccc(cc12)C#N |r|
CN(C)[C@H]1CC[C@H](C1)c1c[nH]c2ccc(F)cc12 |r|
CN(C)C1CCC(C1)c1c[nH]c2ccc(Cl)cc12
CN(C)C1CCC(C1)c1c[nH]c2ccc(Br)cc12
CN(C)C1CCC(C1)c1c[nH]c2cc(F)ccc12
CN(C)C1CCC(C1)c1c[nH]c2cc(Cl)ccc12
CN(C)C1CCC(C1)c1c[nH]c2cc(Br)ccc12
CN(C)C1CCC(C1)c1c[nH]c2c(F)cccc12
CN(C)C1CCC(C1)c1c[nH]c2c(Cl)cccc12
CN(C)C1CCC(C1)c1c[nH]c2c(Br)cccc12
NC1CCC(C1)c1c[nH]c2ccc(cc12)C#N
CNC1CCC(C1)c1c[nH]c2ccc(cc12)C#N
CCNC1CCC(C1)c1c[nH]c2ccc(cc12)C#N
CCCNC1CCC(C1)c1c[nH]c2ccc(cc12)C#N
N#Cc1ccc2[nH]cc(C3CCC(C3)NCc3ccccc3)c2c1
N#Cc1ccc2[nH]cc(C3CCC(C3)NCCc3ccccc3)c2c1
CCN(C)C1CCC(C1)c1c[nH]c2ccc(cc12)C#N
CCN(CC)C1CCC(C1)c1c[nH]c2ccc(cc12)C#N
CN(Cc1ccccc1)C1CCC(C1)c1c[nH]c2ccc(cc12)C#N
CN(CCc1ccccc1)C1CCC(C1)c1c[nH]c2ccc(cc12)C#N
N#Cc1ccc2[nH]cc(C3CCC(C3)N3CCCC3)c2c1
N#Cc1ccc2[nH]cc(C3CCC(C3)N3CCCCC3)c2c1
N#Cc1ccc2[nH]cc(C3CCC(C3)N3CCOCC3)c2c1
N#Cc1ccc2[nH]cc(C3CCC(C3)N3Cc4ccccc4C3)c2c1
N#Cc1ccc2[nH]cc(C3CCC(C3)N3CCc4ccccc4C3)c2c1
CCN(C)C1CCC(C1)c1c[nH]c2ccc(F)cc12
CCN(CC)C1CCC(C1)c1c[nH]c2ccc(F)cc12
Fc1ccc2[nH]cc(C3CCC(C3)N3CCCC3)c2c1
CN(C)[C@H]1CC[C@@H](C1)c1c[nH]c2ccc(cc12)C#N |r|
CN(C)[C@H]1CC[C@H](C1)c1c[nH]c2ccc(cc12)C#N |r|
CN(C)[C@@H]1CC[C@H](C1)c1c[nH]c2ccc(cc12)C#N |r|
CN(C)[C@H]1CC[C@@H](C1)c1c[nH]c2ccc(F)cc12 |r|
CN(C)[C@@H]1CC[C@@H](C1)c1c[nH]c2ccc(F)cc12 |r|
CN(C)[C@@H]1CC[C@H](C1)c1c[nH]c2ccc(F)cc12 |r|
CN1CCC(CC1)(C(=O)OCc1ccc2ccccc2c1)c1ccc(Cl)c(Cl)c1
c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)F
CCOC(=O)C1(CCNCC1)c1ccc(Cl)c(Cl)c1
CCOC(=O)C1(CCNCC1)c1ccc(cc1)-c1ccccc1
CCOC(=O)C1(CCNCC1)c1ccc(I)cc1
CCOC(=O)C1(CCNCC1)c1ccc2ccccc2c1
CN1CCC(CC1)(C(=O)OCc1ccccc1)c1ccc(Cl)c(Cl)c1
COc1ccc(COC(=O)C2(CCN(C)CC2)c2ccc(Cl)c(Cl)c2)cc1
CN1CCC(CC1)(C(=O)OCc1ccc(cc1)[N+]([O-])=O)c1ccc(Cl)c(Cl)c1
CN1CCC(CC1)(C(=O)OCc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1
CN1CCC(CC1)(C(=O)OCc1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1
CN1CCC(CC1)(C(=O)OCc1ccc(I)cc1)c1ccc(Cl)c(Cl)c1
CN1CCC(CC1)(C(=O)OCc1ccc(cc1)-c1ccccc1)c1ccc(Cl)c(Cl)c1
CN1CCC(CC1)(C(=O)OCc1ccccc1)c1ccc(cc1)-c1ccccc1
Clc1ccc(cc1Cl)C1(CCNCC1)C(=O)OCc1ccccc1
COc1ccc(COC(=O)C2(CCNCC2)c2ccc(Cl)c(Cl)c2)cc1
[O-][N+](=O)c1ccc(COC(=O)C2(CCNCC2)c2ccc(Cl)c(Cl)c2)cc1
Clc1ccc(COC(=O)C2(CCNCC2)c2ccc(Cl)c(Cl)c2)cc1Cl
FC(F)(F)c1ccc(COC(=O)C2(CCNCC2)c2ccc(Cl)c(Cl)c2)cc1
O=C(OCc1ccccc1)C1(CCNCC1)c1ccc(cc1)-c1ccccc1
COc1ccc(COC(=O)C2(CCNCC2)c2ccc(I)cc2)cc1
[O-][N+](=O)c1ccc(COC(=O)C2(CCNCC2)c2ccc(I)cc2)cc1
Clc1ccc(COC(=O)C2(CCNCC2)c2ccc(I)cc2)cc1Cl
COc1ccc(COC(=O)C2(CCNCC2)c2ccc3ccccc3c2)cc1
[O-][N+](=O)c1ccc(COC(=O)C2(CCNCC2)c2ccc3ccccc3c2)cc1
Clc1ccc(COC(=O)C2(CCNCC2)c2ccc3ccccc3c2)cc1Cl
C1NCC1Oc1ccccc1Oc1ccccc1
Fc1ccccc1Oc1ccccc1OC1CNC1
Fc1ccccc1Oc1cccc(F)c1OC1CNC1
Fc1cccc(Oc2ccccc2Cl)c1OC1CNC1
Fc1cccc(Oc2c(F)cccc2Cl)c1OC1CNC1
Cc1cccc(F)c1Oc1cccc(F)c1OC1CNC1
Fc1cccc(F)c1Oc1cccc(F)c1OC1CNC1
Fc1cccc(Oc2c(Cl)cccc2Cl)c1OC1CNC1
Cc1cccc(Cl)c1Oc1cccc(F)c1OC1CNC1
Fc1cccc(Oc2cccc(Cl)c2Cl)c1OC1CNC1
Fc1ccccc1Oc1ccccc1OC1CCNCC1
Fc1ccccc1Oc1cccc(F)c1OC1CCNCC1
Fc1cccc(Oc2c(F)cccc2Cl)c1OC1CCNCC1
Cc1cccc(F)c1Oc1cccc(F)c1OC1CCNCC1
Fc1ccccc1Oc1cccc(F)c1OC1CCCNC1
Fc1ccccc1Oc1ccccc1OC1CCNC1
Fc1ccccc1Oc1cccc(F)c1OC1CCNC1
Fc1cccc(Oc2ccccc2Cl)c1OC1CCNC1
Cc1cccc(F)c1Oc1cccc(F)c1OC1CCNC1
Fc1cccc(Oc2c(F)cccc2Cl)c1OC1CCNC1
Fc1cccc(Oc2c(F)cccc2Cl)c1O[C@H]1CCNC1 |r|
Fc1cccc(Oc2c(F)cccc2Cl)c1O[C@@H]1CCNC1 |r|
Fc1cccc(Cl)c1Oc1ncccc1OC1CCNC1
Fc1cccc(Cl)c1Oc1ncccc1OC1CNC1
C1C[C@@H]2C[C@H](C[C@H]1N2)Oc1cccc(n1)-c1ccccc1 |r|
C1C[C@@H]2C[C@H](C[C@H]1N2)Oc1ccccc1 |r|
CN1[C@H]2CC[C@@H]1C[C@H](C2)Oc1ccccc1 |r,TLB:0:1:6.7.8:4.3|
Clc1ccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc1 |r|
Clc1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1 |r|
Clc1ccccc1O[C@H]1C[C@@H]2CC[C@H](C1)N2 |r|
Brc1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1 |r|
Ic1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1 |r|
Fc1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1 |r|
Cc1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1 |r|
[O-][N+](=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1 |r|
FC(F)(F)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1 |r|
COc1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1 |r|
N#Cc1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1 |r|
FC(F)(F)c1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(c1)-c1ccccc1 |r|
Brc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(c1)-c1ccccc1 |r|
Clc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(c1)-c1ccccc1 |r|
Fc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(c1)-c1ccccc1 |r|
N#Cc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(c1)-c1ccccc1 |r|
N#Cc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)nc(c1)-c1ccccc1 |r|
N#Cc1ccc(cc1)-c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1 |r|
N#Cc1cccc(c1)-c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1 |r|
N#Cc1ccccc1-c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1 |r|
N#Cc1ccccc1-c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)n1 |r|
N#Cc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)nc(c1)-c1ccccc1C#N |r|
Cc1cc(on1)C1=C(CC2CCC1S2)c1ccccc1 |t:7,TLB:14:7:13:10.11,THB:3:6:13:10.11|
Cc1cc(on1)C1=C(CC2CCC1S2)c1ccc(F)cc1 |t:7,TLB:14:7:13:10.11,THB:3:6:13:10.11|
Cc1cc(on1)C1=C(CC2CCC1S2)c1ccc(Cl)cc1 |t:7,TLB:14:7:13:10.11,THB:3:6:13:10.11|
Cc1cc(on1)C1=C(CC2CCC1S2)c1ccc(Br)cc1 |t:7,TLB:14:7:13:10.11,THB:3:6:13:10.11|
Cc1cc(on1)C1=C(CC2CCC1S2)c1ccc(Cl)c(Cl)c1 |t:7,TLB:14:7:13:10.11,THB:3:6:13:10.11|
C1CC2SC1CC(=C2c1cc(no1)-c1ccccc1)c1ccccc1 |c:7,TLB:19:6:3:0.1,THB:8:7:3:0.1|
Fc1ccc(cc1)C1=C(C2CCC(C1)S2)c1cc(no1)-c1ccccc1 |t:8,TLB:4:7:14:11.10,THB:15:8:14:11.10|
Clc1ccc(cc1)C1=C(C2CCC(C1)S2)c1cc(no1)-c1ccccc1 |t:8,TLB:4:7:14:11.10,THB:15:8:14:11.10|
Brc1ccc(cc1)C1=C(C2CCC(C1)S2)c1cc(no1)-c1ccccc1 |t:8,TLB:4:7:14:11.10,THB:15:8:14:11.10|
Clc1ccc(cc1Cl)C1=C(C2CCC(C1)S2)c1cc(no1)-c1ccccc1 |t:9,TLB:4:8:15:12.11,THB:16:9:15:12.11|
Cc1cc(on1)[C@@H]1C2CCC(C[C@H]1c1ccccc1)S2 |r,TLB:13:12:19:9.8,THB:3:6:19:9.8|
Cc1cc(on1)[C@@H]1C2CCC(C[C@H]1c1ccc(F)cc1)S2 |r,TLB:13:12:20:9.8,THB:3:6:20:9.8|
Cc1cc(on1)[C@@H]1C2CCC(C[C@H]1c1ccc(Cl)cc1)S2 |r,TLB:13:12:20:9.8,THB:3:6:20:9.8|
Cc1cc(on1)[C@@H]1C2CCC(C[C@H]1c1ccc(Br)cc1)S2 |r,TLB:13:12:20:9.8,THB:3:6:20:9.8|
Cc1cc(on1)[C@@H]1C2CCC(C[C@H]1c1ccc(Cl)c(Cl)c1)S2 |r,TLB:13:12:21:9.8,THB:3:6:21:9.8|
C1CC2SC1C[C@H](C2c1cc(no1)-c1ccccc1)c1ccccc1 |r,TLB:19:6:3:0.1,THB:8:7:3:0.1|
Fc1ccc(cc1)[C@@H]1CC2CCC(S2)C1c1cc(no1)-c1ccccc1 |r,TLB:4:7:13:10.11,THB:15:14:13:10.11|
Clc1ccc(cc1)[C@@H]1CC2CCC(S2)C1c1cc(no1)-c1ccccc1 |r,TLB:4:7:13:10.11,THB:15:14:13:10.11|
Brc1ccc(cc1)[C@@H]1CC2CCC(S2)C1c1cc(no1)-c1ccccc1 |r,TLB:4:7:13:10.11,THB:15:14:13:10.11|
Clc1ccc(cc1Cl)[C@@H]1CC2CCC(S2)C1c1cc(no1)-c1ccccc1 |r,TLB:4:8:14:11.12,THB:16:15:14:11.12|
Cc1cc(on1)[C@@H]1C2CCC(C[C@@H]1c1ccccc1)S2 |r,TLB:13:12:19:9.8,THB:3:6:19:9.8|
Cc1cc(on1)[C@@H]1C2CCC(C[C@@H]1c1ccc(F)cc1)S2 |r,TLB:13:12:20:9.8,THB:3:6:20:9.8|
Cc1cc(on1)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)S2 |r,TLB:13:12:20:9.8,THB:3:6:20:9.8|
Cc1cc(on1)[C@@H]1C2CCC(C[C@@H]1c1ccc(Br)cc1)S2 |r,TLB:13:12:20:9.8,THB:3:6:20:9.8|
Cc1cc(on1)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)S2 |r,TLB:13:12:21:9.8,THB:3:6:21:9.8|
C1CC2SC1C[C@@H](C2c1cc(no1)-c1ccccc1)c1ccccc1 |r,TLB:19:6:3:0.1,THB:8:7:3:0.1|
Fc1ccc(cc1)[C@H]1CC2CCC(S2)C1c1cc(no1)-c1ccccc1 |r,TLB:4:7:13:10.11,THB:15:14:13:10.11|
Clc1ccc(cc1Cl)[C@H]1CC2CCC(S2)C1c1cc(no1)-c1ccccc1 |r,TLB:4:8:14:11.12,THB:16:15:14:11.12|
Fc1cccc(CN[C@@H]2C3C4CC5C6CC(C3C46)C25)c1 |r,THB:9:16:14:12.18,8:18:16.17:14,10:17:14:12.18,11:12:16.17:14|
Fc1cccc(CCN[C@@H]2C3C4CC5C6CC(C3C46)C25)c1 |r,THB:10:17:15:13.19,9:19:17.18:15,11:18:15:13.19,12:13:17.18:15|
COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C\C=C\I |r,TLB:19:18:10.9.4:7.6|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7|
CN(C)C[C@H]1C2CCC(CC2)[C@H]1c1ccc(Cl)c(Cl)c1 |wD:11.13,4.3,(7.55,1.59,;6.22,.82,;4.89,1.59,;6.22,-.68,;4.89,-1.49,;3.54,-.72,;2.22,-1.49,;2.22,-3.03,;3.54,-3.8,;4.09,-2.55,;2.77,-2.03,;4.89,-3.03,;6.2,-3.8,;6.2,-5.34,;7.55,-6.11,;8.89,-5.34,;10.21,-6.11,;8.87,-3.8,;10.2,-2.99,;7.54,-3.03,)|
N[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
N[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
N[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CN[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CN[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CN[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CN[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
NC[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
NC[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
NC[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CNC[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CNC[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CNC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CNC[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CN(C)C[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CN(C)C[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
NCC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
NCC[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CN[C@H]1CCc2ccccc2[C@@H]1c1ccc(Cl)c(Cl)c1 |r|
CN[C@@H]1CCc2ccccc2[C@@H]1c1ccc(Cl)c(Cl)c1 |r|
CN[C@@H]1CCc2ccccc2[C@H]1c1ccc(Cl)c(Cl)c1 |r|
CN[C@H]1CCc2ccccc2[C@H]1c1ccc(Cl)c(Cl)c1 |r|
NC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
NC1CCN(c2ccc(Cl)c(Cl)c2)c2ccccc12
CN(C)C1CCN(c2ccc(Cl)c(Cl)c2)c2ccccc12
CNC1CCN(c2ccc(Cl)c(Cl)c2)c2ccccc12
N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)c2ccccc12 |r|
CN[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)c2ccccc12 |r|
CN(C)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)c2ccccc12 |r|
NC1CN(c2ccc(Cl)c(Cl)c2)c2ccccc2C1
CN(C)C1CN(c2ccc(Cl)c(Cl)c2)c2ccccc2C1
CNC1CN(c2ccc(Cl)c(Cl)c2)c2ccccc2C1
N[C@@H]1CN(c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CN[C@@H]1CN(c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CN(C)[C@@H]1CN(c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
FC(F)(F)c1cccc(c1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
C1C[C@H]2N(C1)C[C@@H](c1ccccc1)c1ccccc21
Clc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
O=c1c(-c2ccccc2)c2CCCCn2c(=O)n1CCCCN1CCC(CC1)c1c[nH]c2ccccc12
Clc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O
COc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O |(.87,-34.6,;-.47,-35.37,;-1.8,-34.61,;-1.81,-33.06,;-3.14,-32.29,;-4.47,-33.06,;-4.47,-34.61,;-3.14,-35.38,;-3.15,-36.91,;-4.48,-37.68,;-5.81,-36.91,;-7.14,-37.67,;-7.14,-39.21,;-5.81,-39.98,;-4.49,-39.21,;-3.16,-39.99,;-3.16,-41.53,;-1.82,-39.22,;-.49,-40,;.85,-39.23,;2.18,-40.01,;3.52,-39.24,;4.85,-40.02,;4.84,-41.56,;6.16,-42.33,;7.5,-41.57,;7.51,-40.03,;6.18,-39.25,;8.83,-42.35,;8.98,-43.88,;10.49,-44.21,;11.26,-42.88,;12.76,-42.58,;13.25,-41.13,;12.23,-39.97,;10.73,-40.28,;10.25,-41.73,;-1.81,-37.68,;-.48,-36.91,)|
Fc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O
Cc1[nH]c2ccccc2c1C1CCN(CCCCn2c(=O)c(c3CCCCn3c2=O)-c2ccccc2C)CC1 |(33.83,-20.17,;34.98,-19.15,;36.49,-19.48,;37.26,-18.16,;38.76,-17.85,;39.25,-16.4,;38.23,-15.24,;36.73,-15.55,;36.25,-17,;34.83,-17.62,;33.5,-16.84,;32.16,-17.6,;30.84,-16.83,;30.85,-15.29,;29.52,-14.51,;28.18,-15.28,;26.85,-14.5,;25.51,-15.27,;24.18,-14.49,;24.19,-12.95,;25.52,-12.18,;22.85,-12.18,;21.52,-12.95,;20.19,-12.18,;18.86,-12.94,;18.86,-14.48,;20.19,-15.25,;21.51,-14.48,;22.84,-15.26,;22.84,-16.8,;22.86,-10.65,;21.53,-9.88,;21.53,-8.33,;22.86,-7.56,;24.19,-8.33,;24.2,-9.88,;25.53,-10.64,;32.18,-14.52,;33.51,-15.3,)|
NC(Cc1ccc2OCOc2c1)Cc1ccc2OCOc2c1
CSc1ccc(CC(N)Cc2ccc(SC)cc2)cc1
NC(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1
CCNC(Cc1ccc(SC)cc1)Cc1ccc(SC)cc1
CSc1ccc(CC(Cc2ccc(SC)cc2)NC=O)cc1
CC(N)C1(CCCCC1)c1ccc(OC(C)(C)C)cc1
CNCC[C@@H](Oc1cc(Cl)ccc1C#N)c1ccccc1 |r|
c1ccc(cc1)[C@@H](CCN)Oc2cc(ccc2C#N)Cl
NCC[C@@H](Sc1cc(Cl)ccc1C#N)c1ccccc1 |r|
CNCC[C@@H](Oc1cc(ccc1C#N)C(F)(F)F)c1ccccc1 |r|
CNCC[C@@H](Oc1cc(OC)ccc1C#N)c1ccccc1 |r|
CCC(CCNC)Oc1cc(Cl)ccc1C#N
NCC[C@@H](Oc1cc(Cl)c(F)cc1C#N)c1ccccc1 |r|
Cc1ccc(C#N)c(S[C@H](CCN)c2ccccc2)n1 |r|
NCC[C@@H](Oc1nc(ccc1C#N)C(F)(F)F)c1ccno1 |r|
CCN1[C@@H](C)[C@@](O)(OCC1(C)C)c1cccc(Cl)c1 |r|
CCCN1[C@@H](C)[C@@](O)(OCC1(C)C)c1cccc(Cl)c1 |r|
O[C@@H](CN[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccccc1 |r|
O[C@H](CN[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccccc1 |r|
O[C@@H](CN[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 |r|
O[C@H](CN[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 |r|
COc1cccc(c1)[C@@H](O)CN[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1 |r|
COc1cccc(c1)[C@H](O)CN[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1 |r|
C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccccn1 |r|
C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1cccnc1 |r|
C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccncc1 |r|
C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1cccc2ccccc12 |r|
Oc1ccccc1CN[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1 |r|
Oc1cccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)c1 |r|
C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1cccs1 |r|
C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccco1 |r|
C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc[nH]1 |r|
COc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1 |r|
[O-][N+](=O)c1ccc(N2CC[C@@H](C2)NCCC(=O)c2csc3ccccc23)c(c1)C(F)(F)F |r|
OC(CCNC1CCN(CC1)c1ccc(cc1)C#N)c1csc2ccccc12
OC(CCN1CCCN(CC1)c1ccc(cc1)C#N)c1csc2ccccc12
COc1ccc(cc1)-n1c(C)c(nc1-c1ccccc1)C(=O)NCC(O)CN1CCN(CC1)c1cccc(Cl)c1C
COc1ccc(cc1)-n1c(C)c(nc1-c1ccccc1)C(=O)NCC(O)CN1CCN(CC1)c1cccc(C)c1C
COc1ccc(cc1OC)-n1c(C)nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c1C
Cc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1F |(18.19,-11.72,;18.96,-10.39,;20.5,-10.39,;20.98,-8.93,;22.32,-8.16,;22.32,-6.62,;23.65,-8.93,;24.98,-8.16,;26.32,-8.93,;26.32,-10.47,;27.65,-8.16,;28.98,-8.92,;30.3,-8.14,;31.63,-8.91,;31.64,-10.45,;30.31,-11.22,;28.97,-10.46,;32.97,-11.21,;34.31,-10.43,;35.64,-11.2,;35.65,-12.74,;34.31,-13.51,;34.31,-15.05,;32.98,-12.75,;31.64,-13.52,;19.73,-8.02,;19.73,-6.48,;18.49,-8.93,;17.16,-8.15,;17.16,-6.62,;15.83,-5.84,;14.49,-6.61,;14.49,-8.16,;15.83,-8.93,;15.83,-10.47,)|
Cc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccccc1F |(-5.7,-19.76,;-4.92,-18.43,;-3.38,-18.43,;-2.9,-16.97,;-1.57,-16.2,;-1.57,-14.66,;-.24,-16.97,;1.1,-16.2,;2.43,-16.97,;2.43,-18.51,;3.76,-16.2,;5.09,-16.96,;6.42,-16.19,;7.75,-16.95,;7.76,-18.49,;6.42,-19.27,;5.08,-18.5,;9.09,-19.26,;10.42,-18.48,;11.76,-19.24,;11.76,-20.78,;10.42,-21.56,;10.42,-23.1,;9.09,-20.79,;7.76,-21.56,;-4.15,-16.06,;-4.16,-14.52,;-5.4,-16.97,;-6.73,-16.2,;-6.72,-14.66,;-8.06,-13.88,;-9.4,-14.65,;-9.4,-16.2,;-8.06,-16.97,;-8.05,-18.51,)|
Cc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1F |(17.63,-21.49,;18.4,-20.16,;19.94,-20.16,;20.42,-18.7,;21.76,-17.93,;21.76,-16.39,;23.09,-18.7,;24.42,-17.93,;25.76,-18.7,;25.76,-20.24,;27.09,-17.93,;28.42,-18.69,;29.74,-17.91,;31.07,-18.68,;31.08,-20.22,;29.75,-20.99,;28.41,-20.23,;32.41,-20.98,;33.75,-20.2,;35.08,-20.97,;35.09,-22.51,;33.75,-23.28,;33.75,-24.82,;32.42,-22.52,;31.08,-23.29,;19.17,-17.79,;19.17,-16.25,;17.93,-18.7,;16.6,-17.92,;16.6,-16.38,;15.27,-15.61,;13.93,-16.38,;13.93,-17.93,;15.27,-18.69,;15.27,-20.23,)|
Cc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccc(F)cc1
Cc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc(F)cc1
CCCc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccc(F)cc1
CCCc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc(F)cc1
COc1ccc(cc1)-n1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c1C
CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc(OC)cc1
COc1ccc(cc1)-n1c(C)c(nc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1C
COc1ccc(cc1)-n1c(C)c(nc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1F |(-6.05,-10.44,;-5.27,-9.11,;-3.73,-9.11,;-3.25,-7.64,;-1.92,-6.87,;-1.92,-5.33,;-.59,-7.64,;.75,-6.87,;2.08,-7.64,;3.41,-6.87,;4.74,-7.64,;6.07,-6.86,;7.4,-7.62,;7.41,-9.17,;6.07,-9.94,;4.73,-9.17,;8.74,-9.93,;10.07,-9.15,;11.41,-9.91,;11.41,-11.46,;10.07,-12.23,;10.07,-13.77,;8.74,-11.46,;7.41,-12.23,;-4.5,-6.74,;-4.51,-5.2,;-5.75,-7.64,;-7.08,-6.87,;-7.07,-5.33,;-8.41,-4.56,;-9.75,-5.33,;-9.74,-6.88,;-8.41,-7.64,;-8.41,-9.18,)|
Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccc(F)cc1
Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc(F)cc1
CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccc(F)cc1
CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc(F)cc1
CCCc1nc(cn1-c1ccc(F)cc1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
Cc1c(nc(-c2ccccc2)n1-c1ccc(F)cc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1C
Cc1c(nc(-c2ccccc2)n1-c1ccc(F)cc1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccccc1Cl |(-4.3,-45.95,;-3.52,-44.62,;-1.98,-44.62,;-1.5,-43.16,;-.17,-42.39,;-.17,-40.85,;1.16,-43.16,;2.5,-42.39,;3.83,-43.16,;5.16,-42.39,;6.49,-43.15,;7.82,-42.37,;9.15,-43.14,;9.16,-44.68,;7.82,-45.45,;6.48,-44.69,;10.49,-45.44,;11.82,-44.66,;13.16,-45.43,;13.16,-46.97,;11.82,-47.74,;11.82,-49.28,;10.49,-46.98,;9.16,-47.75,;-2.75,-42.25,;-2.76,-40.71,;-4,-43.16,;-5.33,-42.38,;-5.32,-40.85,;-6.66,-40.07,;-8,-40.84,;-7.99,-42.39,;-6.66,-43.16,;-6.66,-44.7,)|
CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1Cl |(-8.42,-1.08,;-7.64,.25,;-6.1,.25,;-5.33,1.58,;-3.79,1.58,;-3.31,3.04,;-1.97,3.81,;-1.97,5.35,;-.64,3.04,;.69,3.81,;2.03,3.04,;3.36,3.81,;4.69,3.05,;6.01,3.83,;7.34,3.06,;7.35,1.52,;6.02,.75,;4.68,1.51,;8.68,.76,;10.02,1.54,;11.35,.77,;11.36,-.77,;10.02,-1.54,;10.02,-3.08,;8.69,-.78,;7.35,-1.55,;-4.56,3.95,;-4.56,5.49,;-5.8,3.04,;-7.13,3.82,;-7.13,5.35,;-8.46,6.13,;-9.8,5.36,;-9.8,3.81,;-8.46,3.04,;-8.46,1.5,)|
Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1cccc(Cl)c1
Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc(Cl)cc1
CCCc1nc(cn1-c1ccc(Cl)cc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1C
Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccc2OCCOc2c1
Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc2OCCOc2c1
CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccc2OCCOc2c1
CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc2OCCOc2c1
Cc1c(nc(-c2ccccc2)n1-c1ccc2OCCOc2c1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
Cc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1
CCCc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccccc1
Cc1c(nc(-c2ccccc2)n1-c1ccccc1)C(=O)NCC(O)CN1CCN(CC1)c1cccc(Cl)c1C
Cc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1C1CCCC1
COc1ccccc1-n1c(C)nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2C)c1C |(-6.15,-25.82,;-6.16,-27.36,;-7.49,-28.12,;-8.83,-27.35,;-10.17,-28.12,;-10.17,-29.67,;-8.83,-30.43,;-7.5,-29.66,;-6.17,-30.43,;-5.69,-31.9,;-6.47,-33.23,;-4.15,-31.9,;-3.67,-30.43,;-2.34,-29.66,;-2.34,-28.12,;-1.01,-30.43,;.33,-29.66,;1.66,-30.43,;1.66,-31.97,;2.99,-29.66,;4.32,-30.43,;5.65,-29.65,;6.98,-30.41,;6.99,-31.95,;5.65,-32.73,;4.31,-31.96,;8.32,-32.72,;9.65,-31.94,;10.99,-32.7,;10.99,-34.25,;9.65,-35.02,;9.65,-36.56,;8.32,-34.25,;6.99,-35.02,;-4.92,-29.52,;-4.93,-27.98,)|
COc1ccc(cc1)-n1c(C)nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2C)c1C
COc1ccc(cc1)-n1c(C)nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c1C
CCCc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccc(OC)cc1
Cc1c(nc(-c2ccccc2)n1-c1ccc(F)cc1)C(=O)NCC(O)CN1CCN(CC1)c1cccc(C)c1C
Cc1c(nc(-c2ccccc2)n1-c1ccc(F)cc1)C(=O)NCC(O)CN1CCN(CC1)c1cccc(Cl)c1Cl
Cc1c(nc(-c2ccccc2)n1-c1ccc(F)cc1)C(=O)NCC(O)CN1CCN(CC1)c1cccc(Cl)c1C
Cc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1Cl |(17.54,-.1,;18.32,1.23,;19.86,1.23,;20.34,2.69,;21.67,3.46,;21.67,5,;23,2.69,;24.34,3.46,;25.67,2.69,;25.67,1.15,;27,3.46,;28.33,2.7,;29.66,3.48,;30.99,2.71,;31,1.17,;29.66,.4,;28.32,1.16,;32.33,.41,;33.66,1.19,;35,.42,;35,-1.12,;33.66,-1.89,;33.66,-3.43,;32.33,-1.13,;31,-1.9,;19.09,3.6,;19.08,5.14,;17.84,2.69,;16.51,3.47,;16.52,5,;15.18,5.78,;13.84,5.01,;13.84,3.46,;15.18,2.69,;15.19,1.15,)|
Cc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1cccc(Cl)c1
Cc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1cccc(Cl)c1
CCCc1nc(cn1-c1ccc(Cl)cc1)C(=O)NCC(O)CN1CCN(CC1)c1cccc(Cl)c1Cl
CCCc1nc(cn1-c1ccc(Cl)cc1)C(=O)NCC(O)CN1CCN(CC1)c1cccc(Cl)c1C
CCCc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc(Cl)cc1
Cc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccc2OCCOc2c1
Cc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc2OCCOc2c1
CCCc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccc2OCCOc2c1
CCCc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc2OCCOc2c1
Cc1c(nc(-c2ccccc2)n1-c1ccc(F)cc1)C(=O)NC[C@@H](O)CN1CCN(CC1)c1cccc(Cl)c1C |r|
CCCc1nc(cn1-c1ccc(Cl)cc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1C(F)(F)F |(19.14,-42.83,;19.91,-41.5,;21.45,-41.5,;21.93,-40.04,;23.26,-39.27,;23.26,-37.73,;24.6,-40.04,;25.93,-39.27,;27.27,-40.04,;28.6,-39.27,;29.93,-40.03,;31.25,-39.26,;32.58,-40.02,;32.59,-41.56,;31.26,-42.33,;29.91,-41.57,;33.92,-42.32,;33.93,-43.86,;35.26,-44.63,;36.6,-43.85,;36.59,-42.31,;37.92,-41.53,;35.25,-41.55,;35.25,-40.01,;20.68,-39.13,;20.68,-37.59,;19.44,-40.04,;18.1,-39.27,;18.11,-37.73,;16.78,-36.95,;15.44,-37.72,;15.44,-39.27,;16.78,-40.04,;16.78,-41.58,;15.45,-42.35,;18.11,-42.34,;16.77,-43.11,)|
CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccc2OCCOc2c1
Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1
CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccccc1
CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1
CCCc1nc(cn1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1C1CCCC1
CCc1nc(C(=O)NCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
CCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
Cc1c(nc(-c2ccccc2)n1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1C1CCCC1
CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1OC |(-8.68,-8.22,;-7.77,-6.98,;-6.24,-7.14,;-5.34,-5.9,;-3.8,-5.9,;-3.32,-4.43,;-1.98,-3.66,;-1.98,-2.12,;-.65,-4.43,;.68,-3.66,;2.02,-4.43,;3.35,-3.66,;4.68,-4.43,;6.01,-3.65,;7.33,-4.41,;7.34,-5.95,;6.01,-6.73,;4.67,-5.96,;8.68,-6.72,;8.68,-8.25,;10.01,-9.02,;11.35,-8.24,;11.34,-6.7,;12.67,-5.93,;10.01,-5.94,;10,-4.4,;-4.57,-3.52,;-4.57,-1.98,;-5.81,-4.43,;-7.14,-3.66,;-8.47,-4.43,;-9.8,-3.66,;-9.81,-2.12,;-8.47,-1.35,;-7.14,-2.12,;-5.8,-1.35,;-5.79,.19,)|
COc1ccc(cc1)-n1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1C
COc1ccc(cc1)-n1c(C)c(nc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1F |(15.2,-27.43,;16.1,-26.18,;17.64,-26.34,;18.54,-25.1,;20.08,-25.1,;20.56,-23.64,;21.9,-22.87,;21.9,-21.33,;23.23,-23.64,;24.56,-22.87,;25.9,-23.64,;27.23,-22.87,;28.56,-23.63,;29.88,-22.85,;31.21,-23.62,;31.22,-25.16,;29.89,-25.93,;28.55,-25.16,;32.55,-25.92,;32.56,-27.45,;33.89,-28.22,;35.23,-27.45,;35.22,-25.91,;36.55,-25.13,;33.89,-25.14,;33.88,-23.6,;19.31,-22.73,;19.31,-21.19,;18.07,-23.64,;16.74,-22.86,;15.41,-23.63,;14.07,-22.87,;14.07,-21.32,;15.41,-20.55,;16.74,-21.32,;18.08,-20.56,)|
Cc1c(nc(-c2ccccc2)n1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
Cc1c(nc(-c2ccccc2)n1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1C
Cc1cccc(N2CCN(CCCNC(=O)c3cn(c(n3)-c3ccccc3)-c3ccccc3)CC2)c1C
Cc1c(Cl)cccc1N1CCN(CCCNC(=O)c2nc(-c3ccccc3)n(c2Cn2cncn2)-c2ccccc2)CC1
CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccccc1OC |(-8.13,-19.75,;-7.35,-18.42,;-5.81,-18.43,;-5.04,-17.09,;-3.5,-17.1,;-3.02,-15.63,;-1.69,-14.86,;-1.69,-13.32,;-.35,-15.63,;.98,-14.86,;2.31,-15.63,;3.65,-14.86,;4.98,-15.63,;6.3,-14.85,;7.63,-15.61,;7.64,-17.15,;6.31,-17.93,;4.96,-17.16,;8.97,-17.92,;10.3,-17.14,;11.64,-17.9,;11.65,-19.44,;10.31,-20.22,;10.31,-21.76,;8.98,-19.45,;7.64,-20.22,;-4.27,-14.72,;-4.27,-13.18,;-5.51,-15.63,;-6.85,-14.86,;-8.17,-15.63,;-9.51,-14.86,;-9.52,-13.31,;-8.17,-12.55,;-6.84,-13.32,;-5.5,-12.55,;-5.5,-11.01,)|
CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1OC |(14.87,-21.94,;15.64,-20.61,;17.18,-20.61,;17.96,-19.28,;19.5,-19.28,;19.98,-17.82,;21.31,-17.05,;21.31,-15.51,;22.65,-17.82,;23.98,-17.05,;25.31,-17.82,;26.65,-17.05,;27.98,-17.81,;29.3,-17.03,;30.63,-17.8,;30.64,-19.34,;29.3,-20.11,;27.96,-19.35,;31.97,-20.1,;33.3,-19.32,;34.64,-20.09,;34.64,-21.63,;33.3,-22.4,;33.31,-23.94,;31.97,-21.64,;30.64,-22.41,;18.73,-16.91,;18.73,-15.37,;17.49,-17.82,;16.15,-17.04,;14.82,-17.82,;13.49,-17.05,;13.48,-15.5,;14.83,-14.73,;16.16,-15.51,;17.49,-14.74,;17.5,-13.2,)|
Cc1c(nc(-c2ccccc2)n1-c1ccccc1F)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl |(-4.38,-26.81,;-4.38,-28.35,;-3.13,-29.26,;-3.61,-30.72,;-5.15,-30.72,;-5.92,-32.05,;-7.46,-32.04,;-8.24,-33.37,;-7.47,-34.71,;-5.93,-34.71,;-5.16,-33.38,;-5.62,-29.26,;-6.96,-28.49,;-8.28,-29.26,;-9.62,-28.49,;-9.62,-26.94,;-8.28,-26.17,;-6.95,-26.95,;-5.61,-26.18,;-1.8,-28.49,;-1.8,-26.95,;-.46,-29.26,;.87,-28.49,;2.21,-29.26,;3.54,-28.49,;4.87,-29.25,;6.19,-28.48,;7.52,-29.24,;7.53,-30.78,;6.2,-31.55,;4.85,-30.79,;8.86,-31.54,;8.87,-33.08,;10.2,-33.85,;11.54,-33.07,;11.53,-31.53,;12.86,-30.75,;10.19,-30.77,;10.19,-29.23,)|
Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1Cl |(19.54,-34.68,;20.32,-33.35,;21.86,-33.35,;22.33,-31.89,;23.67,-31.12,;23.67,-29.58,;25,-31.89,;26.34,-31.12,;27.67,-31.89,;29,-31.12,;30.33,-31.88,;31.66,-31.1,;32.99,-31.87,;32.99,-33.41,;31.66,-34.18,;30.32,-33.42,;34.33,-34.17,;34.33,-35.71,;35.66,-36.47,;37,-35.7,;36.99,-34.16,;38.33,-33.38,;35.66,-33.39,;35.65,-31.85,;21.09,-30.98,;21.08,-29.44,;19.84,-31.89,;18.51,-31.11,;17.18,-31.89,;15.85,-31.12,;15.85,-29.57,;17.18,-28.8,;18.52,-29.58,;19.85,-28.81,)|
CCCn1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1C
COc1cc2CCN(CCCCn3cc(-c4ccc(F)cc4)c4ccccc34)Cc2cc1OC
CNC[C@@H](CCN1c2ccccc2N(c2ccccc2)S1(=O)=O)OC |r|
O=S1(=O)N(CCC2CNCCO2)c2ccccc2N1c1ccccc1
O=S1(=O)N(CC[C@H]2CNCCO2)c2ccccc2N1c1ccccc1 |r|
O=S1(=O)N(CC[C@@H]2CNCCO2)c2ccccc2N1c1ccccc1 |r|
O=S1(=O)N(CCC2CCCNC2)c2ccccc2N1c1ccccc1
Fc1ccccc1N1c2ccccc2N(CC[C@@H]2CNCCO2)S1(=O)=O |r|
COc1cccc(c1)N1c2ccccc2N(CC[C@@H]2CNCCO2)S1(=O)=O |r|
Fc1ccc(N2c3ccccc3N(CC[C@@H]3CNCCO3)S2(=O)=O)c(F)c1 |r|
Fc1cc(F)c(N2c3ccccc3N(CC[C@@H]3CNCCO3)S2(=O)=O)c(F)c1 |r|
Fc1cccc2N(c3ccccc3F)S(=O)(=O)N(CCC3CNCCO3)c12
Fc1ccc2N(c3ccccc3F)S(=O)(=O)N(CCC3CNCCO3)c2c1
Fc1ccc2N(CCC3CNCCO3)S(=O)(=O)N(c2c1)c1ccccc1F
Fc1cccc2N(CCC3CNCCO3)S(=O)(=O)N(c12)c1ccccc1F
Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC2)nc2ccccc12 |r,wU:9.9,wD:6.5,(22.1,-1.37,;22.11,-2.91,;23.44,-3.67,;23.45,-5.22,;24.79,-5.98,;26.12,-5.21,;27.46,-5.97,;27.46,-7.51,;28.79,-8.28,;30.12,-7.51,;31.45,-8.29,;32.79,-7.52,;34.12,-8.29,;33.35,-9.62,;34.89,-9.63,;35.45,-7.52,;35.45,-5.99,;36.78,-5.22,;38.12,-5.99,;39.45,-5.22,;40.78,-5.99,;40.78,-7.53,;39.45,-8.3,;38.12,-7.53,;36.79,-8.3,;30.12,-5.97,;28.79,-5.2,;22.12,-5.99,;20.78,-5.22,;19.45,-6,;18.11,-5.23,;18.11,-3.69,;19.44,-2.92,;20.78,-3.68,)|
CN1C2CCC1C([C@H](C2)c1ccccc1)c1nc(C)no1 |TLB:15:6:1:4.3,9:7:1:4.3,0:1:6.7.8:4.3|
CN1C2CCC1[C@@H](CNc1cccc(F)n1)[C@H](C2)c1ccc(Cl)cc1 |r,TLB:0:1:16.6.17:3.4|
CN1C2CCC1[C@@H](CNc1ccnc(Br)c1)[C@H](C2)c1ccc(Cl)cc1 |r,TLB:0:1:16.6.17:3.4|
CN1C2CCC1[C@@H](CNc1ccc(Br)nc1)[C@H](C2)c1ccc(Cl)cc1 |r,TLB:0:1:16.6.17:3.4|
CN1C2CCC1[C@@H](CNc1cccc(Br)n1)[C@H](C2)c1ccc(Cl)cc1 |r,TLB:0:1:16.6.17:3.4|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)Nc1cccc(F)n1 |r,TLB:0:1:7.6.8:3.4|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)Nc1ccnc(Br)c1 |r,TLB:0:1:7.6.8:3.4|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)Nc1ccc(Br)nc1 |r,TLB:0:1:7.6.8:3.4|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)Nc1cccc(Br)n1 |r,TLB:0:1:7.6.8:3.4|
CCN(C)CCC[C@@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r|
CCCN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r|
CCCN(C)CCC[C@@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r|
CCCCN(C)CCC[C@@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r|
CCCCCN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r|
CN(C)CCCC1(OCc2cc(ccc12)C#N)c1cccc2ccccc12
CN(C)CCCC1(OCc2ccccc12)c1cc(Cl)cc(Cl)c1
CN(C)CCCC1(OCc2c1ccc1ccccc21)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc3ccccc3cc12)c1ccc(F)cc1
CN(C)CCCC1(OCc2ccc3ccccc3c12)c1ccc(F)cc1
CCN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r|
CCCCN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r|
CN(C)CCCC1(OCc2cc(ccc12)-c1ccc(N)cc1)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc2ccccc2c1
CN(C)CCCC1(OCc2ccccc12)c1ccc(Cl)c(Cl)c1
CN(C)CCCC(=O)c1ccc2c(COC2(CCCN(C)C)c2ccc(F)cc2)c1
C[C@@H](Cc1ccccc1)N
CCN1[C@H]2CC[C@@H]1C\C(C2)=C/COC(c1ccc(F)cc1)c1ccc(F)cc1 |r,THB:1:2:9.8.7:5.4|
CCCN1[C@H]2CC[C@@H]1C\C(C2)=C/COC(c1ccc(F)cc1)c1ccc(F)cc1 |r,THB:2:3:10.9.8:6.5|
Fc1ccc(cc1)C(OC\C=C1\C[C@@H]2CC[C@H](C1)N2CC=C)c1ccc(F)cc1 |r,THB:19:18:12.11.17:15.14|
Fc1ccc(cc1)C(OC\C=C1\C[C@@H]2CC[C@H](C1)N2CC1CC1)c1ccc(F)cc1 |r,THB:19:18:12.11.17:15.14|
Fc1ccc(CN2[C@H]3CC[C@@H]2C\C(C3)=C/COC(c2ccccc2)c2ccccc2)cc1 |r,THB:5:6:13.12.11:9.8|
Fc1ccc(CN2[C@H]3CC[C@@H]2C\C(C3)=C/COC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |r,THB:5:6:13.12.11:9.8|
Clc1ccc(CN2[C@H]3CC[C@@H]2C\C(C3)=C/COC(c2ccccc2)c2ccccc2)cc1 |r,THB:5:6:13.12.11:9.8|
Fc1ccc(cc1)C(OC\C=C1\C[C@@H]2CC[C@H](C1)N2Cc1ccc(Cl)cc1)c1ccc(F)cc1 |r,THB:19:18:12.11.17:15.14|
Cc1ccc(CN2[C@H]3CC[C@@H]2C\C(C3)=C/COC(c2ccccc2)c2ccccc2)cc1 |r,THB:5:6:13.12.11:9.8|
Cc1ccc(CN2[C@H]3CC[C@@H]2C\C(C3)=C/COC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |r,THB:5:6:13.12.11:9.8|
C(OC(c1ccccc1)c1ccccc1)\C=C1\C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 |r,THB:24:23:17.16.22:20.19|
Fc1ccc(cc1)C(OC\C=C1\C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)c1ccc(F)cc1 |r,THB:19:18:12.11.17:15.14|
CC(=O)N[C@@H]1CC2(CCN(Cc3ccc4[nH]c5ccc(Cl)cc5c4c3)CC2)c2ccccc12 |r|
CC(=O)N[C@@H]1CC2(CCN(Cc3ccc4n(C(N)=O)c5ccccc5c4c3)CC2)c2ccccc12 |r|
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C\C=C(/I)C(F)(F)F |r,THB:19:18:4.10.9:7.6|
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C\C(I)=C\C(F)(F)F |r,THB:19:18:4.10.9:7.6|
CC1CN(CCN1CCCCN1C(=O)CCCC1=O)c1ccc2cc(ccc2n1)[N+]([O-])=O
[O-][N+](=O)c1ccc2nc(ccc2c1)N1CCN(CCCCN2C(=O)CCCC2=O)CC1
CC1CN(CCN1CCCCN1C(=O)CC2(CCCC2)CC1=O)c1ccc2cc(ccc2n1)[N+]([O-])=O
[O-][N+](=O)c1ccc2nc(ccc2c1)N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1
CC1CN(CCN1CCCCN1C(=O)CC(C)(C)CC1=O)c1ccc2cc(ccc2n1)[N+]([O-])=O
CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2ccc3cc(ccc3n2)[N+]([O-])=O)C(=O)C1
[O-][N+](=O)c1ccc2nc(ccc2c1)N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2ccc3c(Cl)cccc3n2)C(=O)C1
CC(=O)Nc1ccc2nc(ccc2c1)N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1
CC1CN(CCN1CCCCN1C(=O)CC(C)(C)CC1=O)c1ccc2ccccc2n1
C1CN(CCN1)c1ccc2ccccc2n1
NC(=O)CS(=O)Cc1ccccc1-c1ccc(Cl)cc1
NC(=O)CS(=O)C(c1ccccc1)c1ccccc1
[H][C@@]1(CC[C@@H](Cc2ccc(cc2)C(=O)N2CCN(Cc3cccc(n3)-c3nnc(C)o3)CC2)N1)[C@H](O)c1ccccc1 |r|
[H][C@@]1(CC[C@@H](Cc2ccc(cc2)C(=O)N2CCN(Cc3nnn(CC4CC4)n3)CC2)N1)[C@H](O)c1ccccc1 |r|
[H][C@@]1(CC[C@@H](Cc2ccc(cc2)C(=O)N2CCN(Cc3nnn(CC(F)F)n3)CC2)N1)[C@H](O)c1ccccc1 |r|
[H][C@@]1(CC[C@@H](Cc2ccc(cc2)C(=O)N2CCN(Cc3nnn(CC(F)(F)F)n3)CC2)N1)[C@H](O)c1ccccc1 |r|
[H][C@@]1(CC[C@@H](Cc2ccc(cc2)C(=O)N2CCN(Cc3cccc(n3)-c3nc(C)no3)CC2)N1)[C@H](O)c1ccccc1 |r|
[H][C@@]1(CC[C@@H](Cc2ccc(cc2)C(=O)N2CCN(Cc3ncn(CC(F)F)n3)CC2)N1)[C@H](O)c1ccccc1 |r|
[H][C@@]1(CC[C@@H](Cc2ccc(cc2)C(=O)N2CCN(Cc3nnn(CC)n3)CC2)N1)[C@H](O)c1ccccc1 |r|
[H][C@@]1(CC[C@@H](Cc2ccc(cc2)C(=O)N2CCN(Cc3ccccn3)CC2)N1)[C@H](O)c1ccccc1 |r|
[H][C@@]1(CC[C@@H](Cc2ccc(cc2)C(=O)N2CCN(Cc3ncn(CC(F)(F)F)n3)CC2)N1)[C@H](O)c1ccccc1 |r|
COc1cccc2[C@@H](CN(C)CCc3ccc4ccoc4c3)CCCc12
Fc1ccc(cc1)C(OCCN1CCN(CC1)c1cccc(Cl)c1Cl)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(CC1)c1cccc(Cl)c1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(CC1)c1ccccc1Cl)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(CC1)c1ncccn1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(CC1)c1ccccn1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(CC1)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(CC1)c1ccc(Cl)cc1Cl)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(CC1)c1ccccc1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCC(Cc2ccccc2)CC1)c1ccc(F)cc1
Clc1ccc(cc1)C(C(=O)NCCCN1CCC(Cc2ccccc2)CC1)c1ccc(Cl)cc1
O=C(NCCCN1CCC(Cc2ccccc2)CC1)C(c1ccccc1)c1ccccc1
Clc1ccc(cc1)C(C(=O)NCCN1CCC(Cc2ccccc2)CC1)c1ccc(Cl)cc1
O=C(NCCN1CCC(Cc2ccccc2)CC1)C(c1ccccc1)c1ccccc1
C(CCn1nnnc1C(c1ccccc1)c1ccccc1)CN1CCN(C\C=C\c2ccccc2)CC1
C(CN1CCN(C\C=C\c2ccccc2)CC1)Cn1nnnc1C(c1ccccc1)c1ccccc1
C(Cn1nnnc1C(c1ccccc1)c1ccccc1)N1CCN(C\C=C\c2ccccc2)CC1
C(CCn1nnnc1C(c1ccccc1)c1ccccc1)CN1CCN(CCCc2ccccc2)CC1
C(CN1CCN(CCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
C(CN1CCN(CCn2nnnc2C(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
C(CCn1nnnc1C(c1ccccc1)c1ccccc1)CN1CCN(CCc2ccccc2)CC1
C(CN1CCN(CCc2ccccc2)CC1)Cn1nnnc1C(c1ccccc1)c1ccccc1
C(Cc1ccccc1)N1CCN(CCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
C(CCn1nnnc1C(c1ccccc1)c1ccccc1)CN1CCN(Cc2ccccc2)CC1
C(CN1CCN(Cc2ccccc2)CC1)Cn1nnnc1C(c1ccccc1)c1ccccc1
C(Cn1nnnc1C(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccc2)CC1
C(CCn1nnnc1C(c1ccccc1)c1ccccc1)CN1CCC(Cc2ccccc2)CC1
C(CN1CCC(Cc2ccccc2)CC1)Cn1nnnc1C(c1ccccc1)c1ccccc1
C(Cn1nnnc1C(c1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1
I\C=C\CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
C(CNCCNCCOC(c1ccccc1)c1ccccc1)Cc1ccccc1
Fc1ccc(cc1)C(OCCNCCNCCCc1ccccc1)c1ccc(F)cc1
I\C=C/CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
CN(CCCc1ccccc1)CCN(C)CCOC(c1ccc(F)cc1)c1ccc(F)cc1
C(CNCCCc1ccccc1)CNCCOC(c1ccccc1)c1ccccc1
CC(C)(C)[C@H](O)[C@@H](CN)c1ccc2ccccc2c1
NC[C@H]([C@@H](O)c1ccccc1)c1ccccc1
Cc1cc(C)c([C@H](O)[C@@H](CN)c2ccccc2)c(C)c1
CN(C)C[C@H]([C@@H](O)C(C)(C)C)c1ccc2ccccc2c1
COc1ccc(cc1)[C@H](CN(C)C)[C@@H](O)C1CCCCC1
CN(C)C[C@H]([C@@H](O)C(C)(C)C)c1ccccc1
COc1ccc(cc1)[C@H](CN)[C@@H](O)C1CCCCC1
Cc1ccccc1O[C@H](CCNC)c2ccccc2
CN(C)C[C@H]([C@@H](O)c1ccccc1)c1ccc2ccccc2c1
CN(C)C[C@H]([C@@H](O)c1c(C)cc(C)cc1C)c1ccccc1
CC(C)(C)[C@H](O)[C@@H](CN)c1ccccc1
CN(C)C[C@H]([C@@H](O)c1ccccc1)c1ccccc1
OC(COc1cc(F)cc2CCCOc12)CN1CCC2(CC1)OCc1c2ccc2ccccc12
OC(COCc1ccccc1)CN1CCC2(CC1)OCc1c2ccc2ccccc12
CC(C)NCC(O)COc1cccc2[nH]ccc12
O[C@H](COc1ccccc1F)CN1CCC2(CC1)OCc1c2ccc2ccccc12
CCc1cccc(OC[C@@H](O)CN2CCC3(CC2)OCc2c3ccc3ccccc23)c1
O[C@H](COc1ccccc1)CN1CCC2(CC1)OCc1c2ccc2ccccc12
C(CCc1ccccc1)CN1CCC2(CC1)OCc1c2ccc2ccccc12
OC(COc1ccc(F)c2CCC(=O)c12)CN1CCC2(CC1)OCc1c2ccc2ccccc12
OC(COc1ccc(F)c2CCCOc12)CN1CCC2(CC1)OCc1c2ccc2ccccc12
OC(CCc1ccccc1)CN1CCC2(CC1)OCc1c2ccc2ccccc12
O[C@@H](COc1ccccc1F)CN1CCC2(CC1)OCc1c2ccc2ccccc12
Fc1ccc(cc1)[C@@H]1CC2CCC(C1c1ccc(F)cc1)N2CCc1ccccc1 |TLB:4:7:21:11.10,THB:14:13:21:11.10|
Fc1ccc(cc1)[C@@H]1CC2CCC(C1c1ccc(F)cc1)N2CCCCc1ccccc1 |TLB:4:7:21:11.10,THB:14:13:21:11.10|
CN1C2CCC1C([C@@H](C2)c1ccc(F)cc1)c1ccc(F)cc1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
Fc1ccc(cc1)[C@@H]1CC2CCC(C1c1ccc(F)cc1)N2CCCc1ccccc1 |TLB:4:7:21:11.10,THB:14:13:21:11.10|
Fc1ccc(cc1)[C@@H]1CC2CCC(C1c1ccc(F)cc1)N2CCC(c1ccccc1)c1ccccc1 |TLB:4:7:21:11.10,THB:14:13:21:11.10|
Fc1ccc(cc1)[C@@H]1CC2CCC(C1c1ccc(F)cc1)N2Cc1ccccc1 |TLB:4:7:21:11.10,THB:14:13:21:11.10|
Fc1ccc(OCCN2C3CCC2C([C@@H](C3)c2ccc(F)cc2)c2ccc(F)cc2)cc1 |TLB:23:13:8:11.10,THB:16:14:8:11.10|
Cc1ccc(cc1)[C@@H]1CC2CCC(C1c1ccccc1)N2CCc1ccccc1 |TLB:4:7:20:11.10,THB:14:13:20:11.10|
Fc1ccc(cc1)[C@@H]1CC2CCC(N2)C1c1ccc(F)cc1 |TLB:4:7:13:11.10,THB:15:14:13:11.10|
COC(=O)C1=C(CC2CCC1N2C)c1ccc(Cl)c(Cl)c1 |t:4,THB:12:11:4.5.6:9.8,13:5:11:9.8,2:4:11:9.8|
COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2 |THB:2:4:19:6.7|
CCCC1C2N(C)C(CC2(F)F)CC1c1ccc(F)cc1 |TLB:14:13:5:9.8,2:3:5:9.8|
CCCC1C2[C@H](F)CC(CC1c1ccc(F)cc1)N2C |THB:11:10:18:5.7,6:5:18:3.10.9,2:3:18:5.7|
CCCC1C2[C@@H](F)CC(CC1c1ccc(F)cc1)N2C |THB:11:10:18:5.7,6:5:18:3.10.9,2:3:18:5.7|
Ic1ccc2nc(ccc2c1)N1CCNCC1
NCCNc1ccc2cc(ccc2n1)[N+]([O-])=O
Brc1ccc2nc(ccc2c1)N1CCNCC1
[O-][N+](=O)c1ccc2nc(N3CCNCC3)c(Br)cc2c1
[O-][N+](=O)c1ccc2nc(ccc2c1)N1CCCNCC1
Clc1ccc2nc(ccc2c1)N1CCNCC1
[O-][N+](=O)c1cc([N+]([O-])=O)c2nc(ccc2c1)N1CCNCC1
CNCCN(C)c1ccc2cc(ccc2n1)[N+]([O-])=O
CO\N=C1\CN2CC1[C@@H](CC2)c1ccc(Cl)cc1
CO\N=C1\CN2CC1[C@H](CC2)c1ccc(Cl)cc1 |THB:11:8:6:3.4|
CC(C)(C)O\N=C1/CN2CC1[C@@H](CC2)c1ccc(Cl)cc1 |TLB:14:11:9:6.7,THB:5:6:9:11.12.13|
Clc1ccc(cc1)[C@@H]1CCN2CC1\C(C2)=N\OCCCc1ccccc1 |TLB:15:13:11:7.8.9,THB:4:7:11:13.14|
CN1CCC(C(C1)C(=O)OCCCCCc1ccccc1)c1ccc(Cl)cc1
Clc1ccc(cc1)[C@@H]1CCN2CC1\C(C2)=N\OCc1ccccc1 |TLB:15:13:11:7.8.9,THB:4:7:11:13.14|
CN1CCC(C(C1)C(=O)OCCCc1ccccc1)c1ccc(Cl)cc1
CN1CCC(C(C1)C(=O)OCCC(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1
COC(=O)C1CN(C)CCC1c1ccc(Cl)cc1
Fc1ccc(cc1)[C@H]1C[C@H]2CCC3C1C(=O)CN23 |TLB:10:9:12:14.16,THB:16:17:13.7.8:11.10,4:7:12:14.16|
Cc1ccc(cc1)[C@H]1C[C@H]2CCC3C1[C@](O)(CN23)c1ccccc1 |TLB:10:9:12:14.16,THB:16:17:13.7.8:11.10,4:7:12:14.16|
CNC(C)C(=O)c1ccc(C)cc1
Cc1ccc(cc1)[C@H]1C[C@H]2CCC3C1[C@](O)(CN23)c1ccc(Cl)cc1 |TLB:10:9:12:14.16,THB:16:17:13.7.8:11.10,4:7:12:14.16|
Cc1ccc(cc1)[C@H]1C[C@H]2CCC3C1C(=O)CN23 |TLB:10:9:12:14.16,THB:16:17:13.7.8:11.10,4:7:12:14.16|
Cc1ccc(cc1)[C@H]1C[C@H]2CCC3C1[C@](C)(O)CN23 |TLB:10:9:12:14.17,THB:17:18:13.7.8:11.10,4:7:12:14.17|
CCC[C@@]1(O)CN2[C@@H]3CCC2C1[C@H](C3)c1ccc(C)cc1 |TLB:14:12:10:3.5,THB:5:6:11.12.13:9.8,8:7:10:3.5|
Cc1ccc(cc1)[C@H]1C[C@H]2CCC3C1C(=C)CN23 |TLB:10:9:12:14.16,THB:16:17:13.7.8:11.10,4:7:12:14.16|
CNC(C)C(=O)c1ccc(cc1)C(F)(F)F
CN[C@@H](C)Cc1ccc(OC)cc1 |r|
CN[C@@H](C)C(=O)c1ccccc1 |r|
CN[C@H](C)Cc1ccc(OC)cc1 |r|
COc1ccc(cc1)-c1noc(n1)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
CC(C)c1noc(n1)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
COC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
COC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
COc1ccc(cc1)-c1noc(n1)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)c1nc(no1)-c1ccc(Br)cc1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)c1nc(no1)-c1ccccc1)c1ccc(Cl)cc1
CC(C)c1noc(n1)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)c1nc(no1)-c1ccc2OCOc2c1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)c1nc(C)no1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)c1nc(no1)-c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)c1nc(no1)-c1ccc2OCOc2c1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)c1nc(no1)-c1ccccc1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)c1nc(no1)-c1ccc(Br)cc1)c1ccc(Cl)cc1
Fc1ccc(CN2CCC(CNCC(c3ccccc3)c3ccccc3)CC2)cc1
Fc1ccc(cc1)C(=O)NC1CCC(NC1)C(c1ccccc1)c1ccccc1
C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CCCc1ccccc1
C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CCc1ccc(Cl)c(Cl)c1
C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1 |r|
C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1
C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1CCc1ccc(Cl)c(Cl)c1
C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1CCCc1ccccc1
C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1
CO[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccccc1)c1ccc(Cl)cc1 |TLB:1:2:9:7.5.6,11:6:9:3.2,THB:10:9:3.2:7.5.6|
CO[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:1:2:9:7.5.6,11:6:9:3.2,THB:10:9:3.2:7.5.6|
CO[C@@H]1CC2C[C@H](CC1N2C)OC(c1ccccc1)c1ccc(Cl)cc1 |TLB:11:6:9:3.2,THB:1:2:9:7.5.6,10:9:3.2:7.5.6|
CO[C@@H]1CC2C[C@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:11:6:9:3.2,THB:10:9:3.2:7.5.6,1:2:9:7.5.6|
CO[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccccc1)c1ccccc1 |TLB:11:6:9:3.2,1:2:9:7.5.6,THB:10:9:3.2:7.5.6|
CN1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)c1cccs1
CN1C[C@H]([C@@H](C1)c1ccc(F)cc1)C(=O)c1ccc(F)cc1
CN1C[C@H]([C@@H](C1)c1ccccc1)C(=O)c1ccccc1
CN1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)c1ccccc1Cl
CN1C[C@H]([C@@H](C1)c1ccccc1)C(=O)c1ccc(Cl)cc1
CN1C[C@H]([C@@H](C1)c1ccccc1)C(=O)c1ccccn1
O=C([C@@H]1CN(C[C@H]1c1ccccc1)c1ccccc1)c1cccs1
O=C([C@@H]1CN(C[C@H]1c1ccccc1)c1ccccc1)c1ccccn1
Cc1cc(ccc1Cl)-n1c(csc1=N)-c1c(F)cccc1F |(15.02,-4.47,;13.57,-5.03,;13.35,-6.56,;11.91,-7.12,;10.71,-6.17,;10.94,-4.64,;12.36,-4.08,;12.58,-2.54,;11.68,-8.64,;10.26,-9.21,;10.35,-10.73,;11.82,-11.12,;12.66,-9.82,;14.19,-9.74,;8.93,-8.44,;7.6,-9.21,;7.6,-10.74,;6.26,-8.44,;6.26,-6.91,;7.6,-6.14,;8.93,-6.91,;10.26,-6.12,)|
Clc1ccc(cc1)-c1csc(=N)n1-c1ccccc1N1CCOCC1 |(5.06,-7.73,;6.39,-8.49,;7.72,-7.71,;9.06,-8.49,;9.06,-10.04,;7.72,-10.81,;6.39,-10.04,;10.41,-10.81,;10.41,-12.35,;11.72,-13.11,;13.05,-12.35,;14.38,-13.12,;13.05,-10.81,;14.15,-9.71,;15.48,-10.48,;16.82,-9.71,;16.81,-8.17,;15.48,-7.4,;14.15,-8.17,;12.82,-7.4,;12.82,-5.86,;11.5,-5.09,;10.16,-5.86,;10.16,-7.4,;11.49,-8.17,)|
FC(F)(F)c1cccc(c1)-n1c(csc1=N)-c1ccc(Cl)cc1
Clc1ccc(cc1)-c1csc(=N)n1-c1ccc(Cl)cc1Cl |(5.05,-7.71,;6.38,-8.47,;6.38,-10.02,;7.7,-10.78,;9.04,-10.02,;9.04,-8.47,;7.7,-7.69,;10.38,-10.78,;10.38,-12.32,;11.69,-13.08,;13.02,-12.32,;14.35,-13.09,;13.02,-10.78,;14.11,-9.69,;14.11,-8.15,;15.44,-7.39,;16.77,-8.15,;18.09,-7.36,;16.78,-9.69,;15.44,-10.46,;15.84,-11.95,)|
Fc1ccccc1-n1c(csc1=N)-c1ccc(Cl)cc1 |(15.84,-11.95,;15.44,-10.46,;16.78,-9.69,;16.77,-8.15,;15.44,-7.39,;14.11,-8.15,;14.11,-9.69,;13.02,-10.78,;10.38,-10.78,;10.38,-12.32,;11.69,-13.08,;13.02,-12.32,;14.35,-13.09,;9.04,-10.02,;7.7,-10.78,;6.38,-10.02,;6.38,-8.47,;5.05,-7.71,;7.7,-7.69,;9.04,-8.47,)|
Cc1cc(ccc1Cl)-c1csc(=N)n1-c1ccc(Cl)cc1
FC(F)(F)c1cccc(c1)-n1c(csc1=N)-c1ccc(Br)cc1
Cc1ccc(cc1)-c1csc(=N)n1-c1ccc(Cl)cc1
CN1CCC(CC1)Oc1nc(nc2ccccc12)-c1ccccc1
C[C@H](Nc1nc(nc2ccccc12)-c1ccccc1)c1ccccc1
C[C@@H](Nc1nc(nc2ccccc12)-c1ccccc1)c1ccccc1
C(CC(c1ccccc1)c1ccccc1)Nc1nc(nc2ccccc12)-c1ccccc1
CN(C)CCCSc1nc(nc2ccccc12)-c1ccccc1
CN(C)CCCNc1nc(nc2ccccc12)-c1ccccc1
C(Nc1nc(nc2ccccc12)-c1ccccc1)C(c1ccccc1)c1ccccc1
C(Nc1nc(nc2ccccc12)-c1ccccc1)c1ccccc1
CN(C)CCCOc1nc(nc2ccccc12)-c1ccccc1
S(C(c1ccccc1)c1ccccc1)c1nc(nc2ccccc12)-c1ccccc1
CN1C2CCC1CC(C2)Oc1nc(nc2ccccc12)-c1ccccc1 |THB:9:7:1:3.4|
N(C(c1ccccc1)c1ccccc1)c1nc(nc2ccccc12)-c1ccccc1
[O-][N+](=O)c1ccc2nc(cc(Br)c2c1)N1CCNCC1
[O-][N+](=O)c1ccc2nc(cc(-c3ccccc3)c2c1)N1CCNCC1
[O-][N+](=O)c1ccc2nc(cc(-c3ccco3)c2c1)N1CCNCC1
[O-][N+](=O)c1ccc2nc(cc(I)c2c1)N1CCNCC1
[O-][N+](=O)c1ccc2nc(cc(Cl)c2c1)N1CCNCC1
[O-][N+](=O)c1ccc2nc(cc(Cc3ccccc3)c2c1)N1CCNCC1
[O-][N+](=O)c1ccc2nc(cc(-c3cccs3)c2c1)N1CCNCC1
[O-][N+](=O)c1ccc2nc(N3CCNCC3)c(CCCF)cc2c1
[O-][N+](=O)c1ccc2nc(cc(Br)c2c1)N1CCN(CC1)C=O
[O-][N+](=O)c1ccc2nc(cc(CC=C)c2c1)N1CCNCC1
[O-][N+](=O)c1ccc2nc(cc(C=C)c2c1)N1CCNCC1
[O-][N+](=O)c1ccc2nc(cc(N3CCCC3)c2c1)N1CCNCC1
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(I)s1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
O=C(OCC1C2CCC3CC1\C(CN23)=C\c1cccs1)c1ccccc1 |TLB:3:4:11.12:8.9,6:5:11.12:8.9|
CC(C)OC(=O)C1C2CCC3CC1\C(CN23)=C\c1cccs1 |TLB:4:6:15:8.9,4:6:13.14:10.11,8:7:13.14:10.11,THB:13:12:15:8.9,14:15:6.12.11:8.9|
CC(=O)NCC1C2CCC3CC1\C(CN23)=C\c1cccs1 |TLB:4:5:12.13:9.10,7:6:12.13:9.10|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(C)s1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1cccs1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
Ic1ccc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)cc1 |TLB:14:13:6.7:9.25,THB:11:12:6.7:9.25|
CC(C)(C)OC(=O)NCC1C2CCC3CC1\C(CN23)=C\c1cccs1 |TLB:8:9:16.17:13.14,11:10:16.17:13.14|
O=C(OCC1C2CCC3CC1\C(CN23)=C\c1cccs1)c1ccc2ccccc2c1 |TLB:3:4:11.12:8.9,6:5:11.12:8.9|
CC(C)(C)C(=O)OCC1C2CCC3CC1\C(CN23)=C\c1cccs1 |TLB:7:8:15.16:12.13,10:9:15.16:12.13|
CC(=O)OCC1C2CCC3CC1\C(CN23)=C\c1cccs1 |TLB:7:6:12.13:9.10,THB:4:5:12.13:9.10|
Clc1cc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)ccc1I |TLB:13:12:5.6:8.24,THB:10:11:5.6:8.24|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(cc12)C#Cc1ccc(Cl)s1)C(=O)NC |r|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(s1)-c1ccc(OC)cc1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1cccnc1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1cnccn1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1cc(C)c(Br)s1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(s1)-c1ccccc1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1nccs1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(Cl)nc1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(OC)s1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1cccc(OC)n1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(s1)-c1cccs1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
CCc1ccc(\C=C2/CN3C4CCC3C(C2C4)C(=O)OC)s1 |TLB:7:15:9:12.11,17:14:9:12.11,17:14:7.8:10.16,THB:8:9:14.15.16:12.11,12:13:7.8:10.16|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccsc1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(s1)-c1ccc(Cl)s1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(Cl)s1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccccn1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
CCCCc1ccc(\C=C2/CN3C4CCC3C(C2C4)C(=O)OC)s1 |TLB:9:17:11:14.13,19:16:11:14.13,19:16:9.10:12.18,THB:10:11:16.17.18:14.13,14:15:9.10:12.18|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(Br)s1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1cnc(OC)nc1OC |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
CCCc1ccc(\C=C2/CN3C4CCC3C(C2C4)C(=O)OC)s1 |TLB:8:16:10:13.12,18:15:10:13.12,18:15:8.9:11.17,THB:9:10:15.16.17:13.12,13:14:8.9:11.17|
COC(=O)C1=C(CC2CCC1N2C)c1ccc(C(C)=O)c(c1)C(C)=O |t:4,THB:2:4:11:9.8|
COC(=O)C1=C(CC2CCC1N2C)c1ccc(O)c(O)c1 |t:4,THB:2:4:11:9.8|
c1ccc(cc1)C(c1ccccc1)c1cccnc1
c1ccc(cc1)Cc2ccncc2
c1ccc2c(-c3ccncc3)c3ccccc3cc2c1
C(C(c1ccccc1)c1ccncc1)c1ccccc1
c1ccc(cc1)C(c1ccccc1)c1ccncc1
c1ccc(cc1)C(c1ccccc1)c1ccccn1
c1ccc2c(-c3cccnc3)c3ccccc3cc2c1
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)OCC |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)NCCN |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Br)s1)C(=O)NC |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)NC |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)OC(C)C |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Br)s1)C(=O)OC |r|
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(F)c(F)c1 |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCC)cc(nc12)C#Cc1ccc(Cl)s1)C(=O)NC |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)OCCC1CCCCC1 |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1)C(O)=O |r|
CNc1nc(nc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)OC)C#Cc1ccc(Cl)s1 |r|
CNc1c2c(nc(n1)C#Cc3ccc(s3)Cl)n(cn2)[C@@H]4[C@H]5C[C@]5([C@H]([C@H]4O)O)C(=O)OC
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)OCCC |r|
CCCNc1nc(nc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC)C#Cc1ccc(Cl)s1 |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)OCCc1ccccc1 |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)OCCCC |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)OCCCc1ccccc1 |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(cc12)C#Cc1ccc(Cl)s1)C(=O)OCC |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)OCCC(C)C |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Br)s1)C(=O)OCC |r|
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1 |r|
[H][C@@]12CCC(C[C@@H]([C@@H]1C(=O)OC)c1ccc([125I])cc1)N2C |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)OCc1ccccc1 |r|
COc1ccc(CNC2CCC(OC2)C(c2ccccc2)c2ccccc2)cc1
N#Cc1ccc(CNC2CCC(OC2)C(c2ccccc2)c2ccccc2)cc1
[O-][N+](=O)c1ccc(CNC2CCC(OC2)C(c2ccccc2)c2ccccc2)cc1
NC(=O)c1ccc2[C@H](CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1 |r,c:13|
NC(=O)c1ccc2C(CCN3CCC(CC3)c3cccc4ccccc34)OCCc2c1
NC(=O)c1ccc2C(CCN3CCC(CC3)c3nsc4cc(F)ccc34)OCCc2c1
Cn1nc(C2=CCN(CCC3OCCc4cc(ccc34)C(N)=O)CC2)c2ccc(F)cc12 |t:4|
NC(=O)c1ccc2C(CCN3CCC(=CC3)c3ccc4cc(F)ccc4c3)OCCc2c1 |c:13|
NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)OCCc2c1 |c:13|
NC(=O)c1ccc2C(CCN3CCC(=CC3)c3cccc4ccc(F)cc34)OCCc2c1 |c:13|
NC(=O)c1ccc2C(CCN3CCC(=CC3)c3noc4cc(F)ccc34)OCCc2c1 |c:13|
NC(=O)c1ccc2C(CCN3CCC(=CC3)c3coc4cc(F)ccc34)OCCc2c1 |c:13|
C[C@H]1CC(CCN1CCC1OCCc2cc(ccc12)C(N)=O)c1c[nH]c2cc(F)ccc12
NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1 |c:13|
NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(cccc34)C#N)OCCc2c1 |c:13|
NC(=O)c1ccc2C(CCN3CCC(=CC3)c3[nH]nc4cc(F)ccc34)OCCc2c1 |c:13|
NC(=O)c1ccc2C(CCN3CCC(C3)c3c[nH]c4cc(F)ccc34)OCCc2c1
NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(F)c(F)ccc34)OCCc2c1 |c:13|
NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4cc(ccc34)C(F)(F)F)OCCc2c1 |c:13|
NC(=O)c1ccc2C(CCN3CCC(=CC3)c3cccc4ccccc34)OCCc2c1 |c:13|
COc1ccc2[nH]cc(C3=CCN(CCC4OCCc5cc(ccc45)C(N)=O)CC3)c2c1 |t:9|
Cn1cc(C2=CCN(CCC3OCCc4cc(ccc34)C(N)=O)CC2)c2ccc(F)cc12 |t:4|
NC(=O)c1ccc2C(CCN3CCC(CC3)c3c[nH]c4cc(F)ccc34)OCCc2c1
NC(=O)c1ccc2C(CCN3CCN(CC3)c3c[nH]c4cc(F)ccc34)OCCc2c1
NC(=O)c1ccc2C(CCN3CCC(=CC3)c3csc4cc(F)ccc34)OCCc2c1 |c:13|
NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(Cl)c(Cl)ccc34)OCCc2c1 |c:13|
NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4cc(Cl)ccc34)OCCc2c1 |c:13|
CN1C2C[C@@H](C1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(O)=O |TLB:25:4:1:6.8.7,THB:9:7:1:4.3|
CN1C2C[C@@H](O)C1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:5:4:1:7.9.8,THB:10:8:1:3.4|
CN1C2C[C@H](O)C1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:5:4:1:7.9.8,THB:10:8:1:3.4|
CCN(CC)C1CC(c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1
C(CC1CCNCC1)Cc1c[nH]c2ccccc12
Clc1ccc2[nH]cc(CC3CCNCC3)c2c1
Cn1cc(CCC2CCNCC2)c2ccccc12
Oc1ccc2[nH]cc(CCC3CCNCC3)c2c1
Cc1[nH]c2ccccc2c1CCC1CCNCC1
Brc1ccc2[nH]cc(CC3CCNCC3)c2c1
Clc1ccc2[nH]cc(CCC3CCNCC3)c2c1
C(Cc1cn(Cc2ccccc2)c2ccccc12)C1CCNCC1
COc1ccc2[nH]cc(CCC3CCNCC3)c2c1
CN1CCC(CCc2c[nH]c3ccccc23)CC1
Oc1ccc2c(CCC3CCNCC3)c[nH]c2c1
COc1ccc2[nH]cc(CC3CCNCC3)c2c1
CN1CCC(CCc2cn(C)c3ccccc23)CC1
C(C1CCNCC1)c1c[nH]c2ccccc12
C(Cc1c([nH]c2ccccc12)-c1ccccc1)C1CCNCC1
C(Cc1cn(-c2ccccc2)c2ccccc12)C1CCNCC1
OCCN1CCN(CC1)C1CC(c2ccc(cc12)C(F)(F)F)c1ccc(F)cc1
CN[C@@H]1CC[C@@H](c2ccccc2OC)c2ccccc12 |r|
CN[C@@H]1CC[C@@H](c2ccc(F)cc2)c2ccccc12 |r|
CN[C@H]1CC[C@@H](c2ccc(Oc3ccccc3)cc2)c2ccccc12 |r|
CN[C@H]1CC[C@@H](c2ccc(cc2)C(F)(F)F)c2ccccc12 |r|
N[C@H]1CC[C@@H](c2ccc(cc2)C(F)(F)F)c2ccccc12 |r|
CN[C@H]1CC[C@@H](c2ccc(OC)cc2)c2ccccc12 |r|
CN[C@H]1CC[C@@H](c2ccc(Cl)c(c2)C(F)(F)F)c2ccccc12 |r|
CN[C@@H]1CC[C@@H](c2ccc(Cl)cc2)c2ccccc12 |r|
CN[C@@H]1CC[C@@H](c2cccc(OC)c2)c2ccccc12 |r|
CN[C@H]1CC[C@@H](c2ccc(F)cc2)c2ccccc12 |r|
N[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r|
CN[C@@H]1CC[C@@H](c2ccc(Cl)c(c2)C(F)(F)F)c2ccccc12 |r|
CN(C)[C@H]1CC[C@@H](c2ccc(cc2)C(F)(F)F)c2ccccc12
CN(C)[C@@H]1CC[C@@H](c2ccc(cc2)C(F)(F)F)c2ccccc12
CN[C@H]1CC[C@@H](c2ccccc2OC)c2ccccc12 |r|
CN[C@@H]1CC[C@@H](c2ccc(Oc3ccccc3)cc2)c2ccccc12 |r|
CN(C)[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
N[C@H]1CC[C@@H](c2cccc(c2)C(F)(F)F)c2ccccc12 |r|
CN[C@@H]1CC[C@@H](c2ccc(cc2)C(F)(F)F)c2ccccc12 |r|
CCCCOc1ccc(cc1)[C@@H]1CC[C@@H](NC)c2ccccc12 |r|
CN[C@H]1CC[C@@H](c2ccc(Cl)cc2)c2ccccc12 |r|
CN[C@@H]1CC[C@@H](c2ccc(Br)cc2)c2ccccc12 |r|
CN[C@H]1CC[C@@H](c2ccc(Cl)cc2Cl)c2ccccc12 |r|
CN[C@H]1CC[C@@H](c2ccc(F)c(OC)c2)c2ccccc12 |r|
CN[C@@H]1CC[C@@H](c2ccc(OC)cc2)c2ccccc12 |r|
CN[C@@H]1CC[C@@H](c2ccc(F)c(OC)c2)c2ccccc12
CN(C)[C@@H]1CC[C@@H](c2ccccc2)c2ccccc12 |r|
CN[C@H]1CC[C@@H](c2ccccc2)c2ccccc12 |r|
CN(C)[C@@H]1CC[C@@H](c2cccc(c2)C(F)(F)F)c2ccccc12
CCCCOc1ccc(cc1)[C@@H]1CC[C@H](NC)c2ccccc12 |r|
CN(C)[C@H]1CC[C@@H](c2cccc(c2)C(F)(F)F)c2ccccc12
CN(C)[C@@H]1CC[C@@H](c2ccc(Cl)cc2)c2ccccc12 |r|
CN[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)c2ccccc12 |r|
CN(C)[C@H]1CC[C@@H](c2ccc(Cl)cc2)c2ccccc12 |r|
CN[C@H]1CC[C@@H](c2ccc(Br)cc2)c2ccccc12 |r|
CN[C@H]1CC[C@@H](c2cccc(OC)c2)c2ccccc12 |r|
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
CN(C)[C@H]1CC[C@@H](c2ccccc2)c2ccccc12 |r|
CN(C)[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r|
CN[C@H]1CC[C@@H](c2cccc(c2)C(F)(F)F)c2ccccc12 |r|
CN[C@@H]1CC[C@@H](c2cccc(c2)C(F)(F)F)c2ccccc12
COc1ccc(cc1OC)C1CN2CCC[C@H]2c2ccccc12
[O-][N+](=O)c1ccc(cc1)C1CN2CCC[C@H]2c2ccccc12
Oc1ccc(cc1O)C1CN2CCC[C@H]2c2ccccc12
Clc1ccc(cc1)C1CN2CCC[C@H]2c2ccccc12
C1CCN2CC(c3ccccc3)c3ccccc3C2C1
COc1ccc(cc1)C1CN2CCC[C@H]2c2ccccc12
C1C(c2ccccc2)c2ccccc2C2CCCCCN12
Clc1ccc(cc1Cl)C1CN2CCC[C@H]2c2ccccc12
Oc1ccc(cc1)C1CN2CCC[C@H]2c2ccccc12
CN1Cc2c(cccc2N)[C@@H](C1)c3ccccc3
CN(C)C1CC(c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1
CCCN(CCC)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
CNCCCC1(OC(C)(C)c2ccccc12)c1ccccc1
CNC1CC(c2ccccc12)c1ccc(Cl)c(c1)C(F)(F)F
CNC1CC(c2ccccc12)c1ccccc1
Clc1ccc(cc1Cl)C1CC(N2CCCCC2)c2ccccc12
Clc1ccc(cc1Cl)C1CC(N2CCCC2)c2ccccc12
CCCNC1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
CNC1CC(c2ccccc12)c1ccc(cc1)C(F)(F)F
Cc1c(O)c(O)cc2c(CC[NH3+])c[nH]c12
Cc1c(O)c(O)cc2[nH]cc(CC[NH3+])c12
NCCc1c[nH]c2cc(O)c(O)cc12
Cc1c(O)c(O)c(C)c2c(CC[NH3+])c[nH]c12
Oc1ccc(cc1)[C@@H]1CN2CCC[C@H]2c2ccccc12 |r|
Clc1ccc(cc1Cl)[C@@H]1CN2CCC[C@H]2c2ccccc12
CS(=O)(=O)c1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
COc1cccc2[C@H]3CCCN3C[C@@H](c3ccccc3)c12
COc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
CS(=O)(=O)c1ccc(cc1)[C@@H]1CN2CCC[C@H]2c2ccccc12 |r|
COc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12
C#Cc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
COc1ccc(NC(=O)Nc2ccc(cc2)[C@@H]2CN3CCC[C@H]3c3ccccc23)cc1
C[C@@]1(CN2CCC[C@H]2c2ccccc12)c1ccccc1 |r|
Clc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc23)c(Cl)c1
FC(F)(F)c1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccccc1
Oc1cccc(c1)[C@@H]1CN2CCC[C@H]2c2ccccc12 |r|
O=C(Nc1ccccc1)Nc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
O=C(Nc1ccccc1)Nc1ccc(cc1)[C@@H]1CN2CCC[C@H]2c2ccccc12
COc1ccc(cc1)[C@@H]1CN2CCC[C@H]2c2ccccc12 |r|
Fc1cccc(Cl)c1[C@@H]1CN2CCC[C@@H]2c2ccccc12
COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccccc1
COc1cc2[C@H]3CCCN3C[C@@H](c3ccccc3)c2cc1OC
Clc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2cc(Cl)ccc12
Fc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2cc(F)ccc12 |r|
Clc1ccc(cc1Cl)[C@@H]1CN2CCC[C@@H]2c2ccccc12
C[C@@]12CCCN1C[C@H](c1ccccc1)c1ccccc21
O[C@@]1(CN2CCC[C@H]2c2ccccc12)c1ccccc1
C1CN2C[C@@H](c3ccccc3)c3ccccc3[C@H]12
Oc1ccc(cc1O)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
C1CN2C[C@H](c3ccccc3)c3ccccc3[C@H]12
CCN1CC(c2ccccc2)c2ccccc2C1
Fc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
COc1cccc(c1)[C@@H]1CN2CCC[C@H]2c2ccccc12 |r|
Clc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
C[C@@]12CCCN1C[C@H](c1ccc(Cl)cc1)c1ccccc21
O[C@]1(CN2CCC[C@H]2c2ccccc12)c1ccccc1 |r|
COc1ccc(cc1OC)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
FC(F)(F)c1cccc(c1)[C@@H]1CN2CCCC2c2cc(Cl)ccc12
Oc1ccc(cc1O)[C@@H]1CN2CCC[C@H]2c2ccccc12 |r|
Oc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Clc1cccc2[C@H]3CCCN3C[C@@H](c3ccccc3)c12
[O-][N+](=O)c1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
COc1cccc(c1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
CCCCc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
C1C[C@@H]2N(C1)C[C@@H](c1sccc21)c1ccccc1 |r|
CC(=O)Nc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
COc1cc(cc(OC)c1OC)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
C1CCN2C[C@H](c3ccccc3)c3ccccc3[C@@H]2C1
Oc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Oc1cccc(c1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Oc1cc2[C@H]3CCCN3C[C@@H](c3ccccc3)c2cc1O |r|
Clc1ccc(cc1)[C@@H]1CN2CCC[C@H]2c2ccccc12
NC(=O)c1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
C1C[C@@H]2N(C1)C[C@H](c1cccs1)c1sccc21 |r|
Clc1cccc(c1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Clc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccccc1 |r|
Cc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12
Cn1ccc2[C@@H]3CCCN3C[C@@H](c12)c1ccccc1 |r|
C1C[C@@H]2N(C1)C[C@@H](c1c2[nH]c2ccccc12)c1ccccc1 |r|
N#Cc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
Clc1ccc(cc1)[C@@H]1CN2CCC[C@H]2c2cc(Cl)ccc12
C1C[C@@H]2N(C1)C[C@H](C1CCCCC1)c1ccccc21 |r|
FC(F)(F)c1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
Nc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
CCn1cc(C(O)=O)c(=O)c2ccc(Cc3ccccc3)nc12
Brc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
CSc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12
Fc1ccc(cc1)[C@H]1C[C@H](N2CCN(CCN3CCNC3=O)CC2)c2ccccc12
Fc1ccc(cc1)[C@H]1C[C@H](N2CCNCC2)c2ccccc12
Fc1ccc(cc1)[C@@H]1C[C@@H](N2CCN(CCN3CCNC3=O)CC2)c2cc(F)ccc12
CN1CCN(CC1)[C@@H]1C[C@H](c2ccc(F)cc12)c1ccc(F)cc1
CN1CCN(CC1)[C@H]1C[C@@H](c2ccc(F)cc12)c1ccc(F)cc1
Fc1ccc(cc1)[C@H]1C[C@H](N2CCN(CCN3CCNC3=O)CC2)c2cc(F)ccc12
Fc1ccc(cc1)[C@@H]1C[C@@H](N2CCNCC2)c2ccccc12
CN(C)CC(c1ccccc1)C1(O)CCCCC1
COc1ccc(cc1)C(CN(C)C)C1(O)CCCC1
CN(C)CC(c1cccc(Br)c1)C1(O)CCCCC1
CN(C)CC(c1ccc(Cl)c(Cl)c1)C1(O)CCCCC1
COc1ccc(cc1)C(CN(C)C)C1(O)CCCCCC1
CN(C)CC(c1ccc(cc1)C(F)(F)F)C1(O)CCCCC1
COc1cccc(c1)C(CN(C)C)C1(O)CCCC1
CN(C)CC(c1ccc(C)cc1)C1(O)CCCCC1
CN(C)CC(c1ccc(cc1)C(F)(F)F)C1(O)CCCC1
COc1ccc(cc1OC)C(CN(C)C)C1(O)CCCCC1
CNCC(c1ccc(OC)cc1)C1(O)CCCCC1
CN(C)CC(c1ccc(cc1)C(F)(F)F)C1(O)CCCCCC1
CN(C)CC(c1ccc(Br)cc1)C1(O)CCCCC1
COc1ccc(cc1Br)C(CN(C)C)C1(O)CCCCC1
CN(C)CC(c1ccc(Br)cc1)C1(O)CCC1
CN1[C@@H]2CCC1[C@H]([C@H](C2)OC(=O)c1ccccc1)C(=O)OCCCc1ccccc1 |TLB:9:7:1:4.3,18:6:1:4.3,0:1:6.7.8:4.3|
CCOC(=O)[C@@H]1C2CC[C@H](C[C@@H]1OC(=O)c1ccccc1)N2C |TLB:22:21:5.11.10:7.8,THB:12:11:21:7.8,3:5:21:7.8|
CC(C)OC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C |TLB:21:20:6.12.11:8.9,THB:4:6:20:8.9,13:12:20:8.9|
CN1[C@@H]2CCC1[C@H]([C@H](C2)c1ccc(I)cc1)C(=O)Oc1ccccc1 |TLB:16:6:1:4.3,9:7:1:4.3,0:1:6.7.8:4.3|
CN1[C@@H]2CCC1[C@H]([C@H](C2)OC(=O)c1ccccc1)C(=O)Oc1ccccc1 |TLB:18:6:1:4.3,9:7:1:4.3,0:1:6.7.8:4.3|
CN1[C@@H]2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)C(=O)Oc1ccccc1 |TLB:16:6:1:4.3,9:7:1:4.3,0:1:6.7.8:4.3|
CCCOC(=O)[C@@H]1C2CC[C@H](C[C@@H]1OC(=O)c1ccccc1)N2C |TLB:23:22:6.12.11:8.9,THB:13:12:22:8.9,4:6:22:8.9|
CC(C)OC(=O)[C@@H]1C2CC[C@H](C[C@@H]1OC(=O)c1ccccc1)N2C |TLB:23:22:6.12.11:8.9,THB:4:6:22:8.9,13:12:22:8.9|
CN1[C@@H]2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)Oc1ccccc1 |TLB:16:6:1:4.3,9:7:1:4.3,0:1:6.7.8:4.3|
CN1C2CCC1C([C@H](C2)c1ccc(Cl)cc1)c1nc(C)no1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3,9:7:1:4.3|
CN1C2CCC1C([C@H](C2)c1ccc(C)cc1)c1nc(no1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,9:7:1:4.3|
COc1ccc(cc1)-c1noc(n1)C1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C |TLB:28:27:13.19.18:15.16,THB:11:13:27:15.16,20:19:27:15.16|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)c1nc(no1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,9:7:1:4.3|
CN1C2CCC1C([C@H](C2)c1ccc(Cl)cc1)c1nc(no1)-c1ccc(Br)cc1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3,9:7:1:4.3|
CN1C2CCC1C([C@H](C2)c1ccc(Cl)cc1)c1nc(no1)-c1ccc(Cl)cc1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3,9:7:1:4.3|
CC(C)c1noc(n1)C1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C |TLB:23:22:8.14.13:10.11,THB:6:8:22:10.11,15:14:22:10.11|
COC(=O)C1C2CCC(CC1c1cccc(Br)c1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:11:10:27:6.7,THB:2:4:27:6.7|
CN1[C@@H]2CC[C@H]1CC(C2)OC(c3ccccc3)c4ccccc4
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)c1cc(no1)-c1ccc(C)cc1 |TLB:16:6:1:4.3,9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)c1cc(no1)-c1ccc(Cl)cc1 |TLB:16:6:1:4.3,9:7:1:4.3|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCc1c[nH]c2ccccc12)c1ccc(F)cc1 |TLB:8:9:12.13:16,17:16:12.13:15.10.9|
NCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:2:3:5.6:8.10.9,THB:11:9:5.6:3|
CC(C)[C@@H](N)CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:14:12:6:8.9|
CN(C)CCN1C2CCC1[C@@H](C=C)[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |r,TLB:11:10:5:8.7,THB:15:13:5:8.7|
CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C[C@H](N)C(C)C |r,TLB:12:11:28:7.8,THB:3:5:28:7.8|
CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCc1c[nH]c2ccccc12 |r,TLB:12:11:28:7.8,THB:3:5:28:7.8|
CC(C)[C@@H](N)CN1C2CCC1CC(C2)NC(c1ccc(F)cc1)c1ccc(F)cc1 |r,@:12,THB:14:12:6:8.9|
Fc1ccc(cc1)C(NC1CC2CCC(C1)N2CCN1CCCCC1)c1ccc(F)cc1 |@@:9,TLB:8:9:16:12.13|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCN1CCCCC1)c1ccc(F)cc1 |@@:9,TLB:8:9:16:12.13|
CN(C)CCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |@:11,THB:13:11:5:7.8|
CCOC(=O)[C@@H]1C2CCC(C[C@@H]1NC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCN |r,TLB:12:11:28:7.8,THB:3:5:28:7.8|
CN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(no1)-c1ccc(Cl)cc1 |r,TLB:25:6:1:3.4,THB:9:7:1:3.4|
CN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(no1)-c1ccccc1 |r,TLB:25:6:1:3.4,THB:9:7:1:3.4|
CN(C)CCN1C2CCC1CC(C2)NC(c1ccc(F)cc1)c1ccc(F)cc1 |@:11,THB:13:11:5:7.8|
CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CC1CC1 |r,TLB:12:11:8.7:28,THB:3:5:8.7:28|
CN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(no1)-c1ccc(F)cc1 |r,TLB:25:6:1:3.4,THB:9:7:1:3.4|
CN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(no1)-c1ccc(C)cc1 |r,TLB:25:6:1:3.4,THB:9:7:1:3.4|
COC(=O)C1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)C1C2CCC(C[C@@H]1c1ccccc1)N2 |TLB:11:10:17:6.7,THB:2:4:17:6.7|
COC(=O)C1C2CCC(C[C@@H]1c1ccc(F)cc1)N2 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)C1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2 |THB:11:10:20:6.7,2:4:20:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccccc1)N2C |THB:24:23:4.10.9:6.7,2:4:23:6.7,11:10:23:6.7|
CN1C2CCC1C(C(C2)c1ccc(F)cc1)C(C)=O |TLB:16:6:1:4.3,9:7:1:4.3,THB:0:1:6.7.8:4.3|
CCC(=O)C1C2CCC(CC1c1ccccc1)N2C |THB:2:4:17:6.7,11:10:17:6.7,18:17:4.10.9:6.7|
CN1C2CCC1C(C(C2)c1ccccc1)C(C)=O |TLB:15:6:1:4.3,9:7:1:4.3,THB:0:1:6.7.8:4.3|
CCC(=O)C1C2CCC(CC1c1ccccc1C)N2C |THB:11:10:18:6.7,2:4:18:6.7,19:18:4.10.9:6.7|
CCC1CC2CCC(C1C(=O)CC)N2C |THB:9:8:13:6.5,14:13:8.2.3:6.5,1:2:13:6.5|
CCC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7,19:18:4.10.9:6.7|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(C)=O |TLB:16:6:1:4.3,9:7:1:4.3,THB:0:1:6.7.8:4.3|
CCC(=O)C1C2CCC(CC1c1ccc(cc1)C(C)(C)C)N2C |THB:22:21:4.10.9:6.7,2:4:21:6.7,11:10:21:6.7|
CCc1ccc(cc1)C1CC2CCC(C1C(C)=O)N2C |THB:15:14:18:12.11,5:8:18:12.11,19:18:14.8.9:12.11|
CCC(=O)C1C2CCC(CC1C1CCCCC1)N2C |THB:2:4:17:6.7,11:10:17:6.7,18:17:4.10.9:6.7|
C1CN(CCN1)c1nc2ccccc2c-2c1CCc1ccccc-21
C1CN(CCN1)c1nc2ccccc2c-2c1CCOc1ccccc-21
C1CN(CCN1)c1nc2ccccc2c-2c1COc1ccccc-21
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)c1ncc(o1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)c1nnc(o1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,9:7:1:4.3|
CN1C2CCC1C(C(C2)OC(=O)c1ccccc1)C(=O)Oc1ccccc1 |TLB:18:6:1:4.3,9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(=O)N1CCOCC1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)Oc1ccccc1C |TLB:16:6:1:4.3,THB:9:7:1:4.3|
COC(=O)C1C2CCC(CC1c1ccc(N)c(I)c1)N2C |TLB:11:10:19:6.7,THB:2:4:19:6.7|
CON(C)C(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |TLB:13:12:20:8.9,THB:4:6:20:8.9|
CN1C2CCC1C(C(C2)c1ccccc1)C(=O)Oc1ccccc1 |TLB:15:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)OC1CC1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)OC(=O)c1ccccc1)C(=O)OCc1ccccc1 |TLB:18:6:1:4.3,9:7:1:4.3|
CN(C)C(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:12:11:19:7.8,THB:3:5:19:7.8|
CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)OC1CC1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CON(C)C(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2C |THB:4:6:22:8.9,13:12:22:8.9|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)N1CCOCC1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(N)=O |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)OC(=O)c1ccccc1)C(N)=O |TLB:18:6:1:4.3,9:7:1:4.3|
CONC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:12:11:19:7.8,THB:3:5:19:7.8|
CNC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:11:10:18:6.7,THB:2:4:18:6.7|
CN1C2CCC1C(C(C2)OC(=O)c1ccccc1)C(=O)OCCCc1ccccc1 |TLB:9:7:1:4.3,18:6:1:4.3|
CN1C2CCC1C(C(C2)OC(=O)c1ccccc1)C(=O)OCCc1ccccc1 |TLB:9:7:1:4.3,18:6:1:4.3|
CN(C(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C)c1ccccc1 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(Cl)c(C)c1)N2C |TLB:11:10:19:6.7,THB:2:4:19:6.7|
CON(C)C(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:13:12:20:8.9,THB:4:6:20:8.9|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)Oc1cccc(C)c1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CCCOC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2C |THB:13:12:22:8.9,4:6:22:8.9|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(=O)Oc1ccc(Cl)cc1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)NCO |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(=O)OC1CCCC1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)OC(=O)c1ccccc1)C(=O)OC\C=C\c1ccccc1 |TLB:9:7:1:4.3,18:6:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)N1CCCCC1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CC(C)OC(=O)C1C2CCC(CC1c1ccccc1)N2C |TLB:13:12:19:8.9,THB:4:6:19:8.9|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(=O)Oc1ccc(C)cc1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CC(C)OC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2C |THB:4:6:22:8.9,13:12:22:8.9|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)Oc1ccc(I)cc1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(=O)Oc1ccccc1C |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(=O)OC1CC1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(N)=O |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)Oc1ccc(Cl)cc1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CCN(CC)C(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |TLB:14:13:21:9.10,THB:5:7:21:9.10|
CCN(CC)C(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:14:13:21:9.10,THB:5:7:21:9.10|
CCC(CC)OC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |TLB:15:14:22:10.11,THB:6:8:22:10.11|
CNC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2C |THB:2:4:20:6.7,11:10:20:6.7|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(=O)Oc1cccc(C)c1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
COc1ccc(OC(=O)C2C3CCC(CC2c2ccc(Cl)cc2)N3C)cc1 |TLB:16:15:23:11.12,THB:7:9:23:11.12|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(=O)OC1CCC1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)N1CCCO1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
COc1ccc(OC(=O)C2C3CCC(CC2c2ccc(C)cc2)N3C)cc1 |TLB:16:15:23:11.12,THB:7:9:23:11.12|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)N1CCC1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN(C)C(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2C |THB:3:5:21:7.8,12:11:21:7.8|
CON(C)C(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C |TLB:13:12:20:8.9,THB:4:6:20:8.9|
CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)N1CCCO1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CCOC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2C |THB:12:11:21:7.8,3:5:21:7.8|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)Oc1ccc(C)cc1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
[H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(Cl)cc1)C(=O)N1CCCC1)N2C |r,TLB:9:7:23:3.2,THB:16:6:23:3.2|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1nnc(o1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nc(C)no1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1cc(C)no1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1cc(C)no1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@@H](C(C2)c1ccc(Cl)cc1)c1nc2ccccc2s1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1nnn[nH]1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)C(O)=O |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@@H](C(C2)c1ccc(C)cc1)c1nnc(o1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nnc(s1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1ncc(o1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(I)cc1)c1cc(no1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)C(=O)Oc1ccccc1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(I)cc1)c1cc(C)no1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
CN1C2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nc(no1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nnc(o1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@@H](C(C2)c1ccc(Cl)cc1)c1nnc(o1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1cc(no1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nnn[nH]1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1nnc(C)o1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)C(=O)Oc1ccccc1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1nc(no1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1cc(no1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1ncc(o1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nc2ccccc2s1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1nnc(s1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
COC(=O)C1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCCc1ccccc1 |TLB:11:10:27:6.7,THB:2:4:27:6.7|
COC(=O)C1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCCCCc1ccccc1 |TLB:11:10:27:6.7,THB:2:4:27:6.7|
COC(=O)C1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCCc1ccc(Br)cc1 |TLB:11:10:27:6.7,THB:2:4:27:6.7|
COC(=O)C1C2CCC(C[C@@H]1OC(c1ccc(C)cc1)c1ccc(C)cc1)N2C |TLB:11:10:27:6.7,THB:2:4:27:6.7|
COC(=O)C1C2CCC(C[C@@H]1OC(c1ccccc1)c1ccc(Br)cc1)N2C |TLB:11:10:26:6.7,THB:2:4:26:6.7|
COC(=O)C1C2CCC(C[C@@H]1OC(c1ccc(Br)cc1)c1ccc(I)cc1)N2C |TLB:11:10:27:6.7,THB:2:4:27:6.7|
COC(=O)C1C2CCC(C[C@@H]1OC1c3ccccc3-c3ccccc13)N2C |TLB:11:10:25:6.7,THB:2:4:25:6.7|
COC(=O)C1C2CCC(C[C@@H]1OC(c1ccc(Br)cc1)c1ccc(Br)cc1)N2C |TLB:11:10:27:6.7,THB:2:4:27:6.7|
CCC(O[C@H]1CC2CCC(C1C(=O)OC)N2C)c1ccccc1 |TLB:3:4:15:8.7,THB:11:10:15:8.7|
COC(=O)C1C2CCC(C[C@@H]1OC(c1ccccc1)c1ccc(I)cc1)N2C |TLB:11:10:26:6.7,THB:2:4:26:6.7|
COC(=O)C1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2Cc1ccccc1 |TLB:11:10:27:6.7,THB:2:4:27:6.7|
COC(=O)C1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCCc1ccc(I)cc1 |TLB:11:10:27:6.7,THB:2:4:27:6.7|
COC(=O)C1C2CCC(C[C@@H]1OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N2C |TLB:11:10:27:6.7,THB:2:4:27:6.7|
COC(=O)C1C2CCC(C[C@@H]1OC(c1ccccc1)c1ccc(Cl)cc1)N2C |TLB:11:10:26:6.7,THB:2:4:26:6.7|
COC(=O)C1C2CCC(C[C@@H]1OC(c1ccccc1)c1ccc(F)cc1)N2C |TLB:11:10:26:6.7,THB:2:4:26:6.7|
COC(=O)C1C2CCC(C[C@@H]1OC(c1ccccc1)c1ccccc1)N2C |TLB:11:10:25:6.7,THB:2:4:25:6.7|
COC(=O)C1C2CCC(C[C@@H]1OC(c1ccccc1)c1ccc(C)cc1)N2C |TLB:11:10:26:6.7,THB:2:4:26:6.7|
COC(=O)C1C2CCC(C[C@@H]1OC(c1ccc(I)cc1)c1ccc(I)cc1)N2C |TLB:11:10:27:6.7,THB:2:4:27:6.7|
CC(C)OC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCF |THB:4:6:20:8.9|
COC(=O)CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)OC |TLB:20:10:5:8.7|
COC(CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)OC)OC |TLB:19:9:4:7.6|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCBr |THB:2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCCl |THB:2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CC(F)F |THB:2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C(=O)C(C)C |THB:2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCOS(C)(=O)=O |THB:2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCF |THB:2:4:18:6.7|
CC(C)OC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCF |THB:4:6:20:8.9|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CC1CC1 |THB:2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCI |THB:2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCO |THB:2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(\C=C\C)cc1)N2C |TLB:21:20:4.10.9:6.7,THB:2:4:20:6.7,11:10:20:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2 |r,TLB:11:10:20:6.7,THB:2:4:20:6.7|
COC(=O)C1C2CCC(CC1c1ccc(CC=C)cc1)N2 |THB:2:4:20:6.7,11:10:20:6.7|
COC(=O)C1C2CCC(CC1c1ccc(\C=C/C)cc1)N2 |THB:2:4:20:6.7,11:10:20:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)C(C)C)N2 |THB:2:4:20:6.7,11:10:20:6.7|
COC(=O)C1C2CCC(CC1c1ccc(\C=C/C)cc1)N2C |TLB:21:20:4.10.9:6.7,THB:2:4:20:6.7,11:10:20:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)C#C)N2C |TLB:20:19:4.10.9:6.7,THB:2:4:19:6.7,11:10:19:6.7|
CCc1ccc(cc1)C1CC2CCC(N2)C1C(=O)OC |THB:16:15:14:12.11,5:8:14:12.11|
COC(=O)C1C2CCC(CC1c1ccc(cc1)C#CC)N2C |TLB:21:20:4.10.9:6.7,THB:2:4:20:6.7,11:10:20:6.7|
COC(=O)C1C2CCC(CC1c1ccc(\C=C\C)cc1)N2 |THB:2:4:20:6.7,11:10:20:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)C(C)=C)N2C |TLB:21:20:4.10.9:6.7,THB:2:4:20:6.7,11:10:20:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)C#CC)N2 |THB:2:4:20:6.7,11:10:20:6.7|
COC(=O)C1C2CCC(CC1c1ccc(CC=C)cc1)N2C |TLB:21:20:4.10.9:6.7,THB:2:4:20:6.7,11:10:20:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)C(C)C)N2C |TLB:21:20:4.10.9:6.7,THB:2:4:20:6.7,11:10:20:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)C#C)N2 |THB:2:4:19:6.7,11:10:19:6.7|
CCc1ccc(cc1)C1CC2CCC(C1C(=O)OC)N2C |TLB:20:19:14.8.9:12.11,THB:15:14:19:12.11,5:8:19:12.11|
CCCc1ccc(cc1)C1CC2CCC(C1C(=O)OC)N2C |TLB:6:9:20:13.12,21:20:15.9.10:13.12,THB:16:15:20:13.12|
COC(=O)C1C2CCC(CC1c1ccc(C=C)cc1)N2 |THB:2:4:19:6.7,11:10:19:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)C(C)=C)N2 |THB:2:4:20:6.7,11:10:20:6.7|
COC(=O)C1C2CCC(CC1c1ccc(C=C)cc1)N2C |TLB:20:19:4.10.9:6.7,THB:2:4:19:6.7,11:10:19:6.7|
CCCc1ccc(cc1)C1CC2CCC(N2)C1C(=O)OC |TLB:6:9:15:13.12,THB:17:16:15:13.12|
C[C@H]1CN(CCOC(c2ccccc2)c2ccccc2)[C@H](C)CN1CCOC(c1ccccc1)c1ccccc1
C(CNC[C@@H]1CCCN1CCOC(c1ccccc1)c1ccccc1)Cc1ccccc1
C(CN1CCN(CCCc2ccccc2)CC1)Cc1ccccc1
C[C@H]1CN(C\C=C\c2ccccc2)[C@H](C)CN1CCOC(c1ccc(F)cc1)c1ccc(F)cc1
C(CCNCCOC(c1ccccc1)c1ccccc1)CNCCCc1ccccc1
C[C@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@H](C)CN1CCOC(c1ccc(F)cc1)c1ccc(F)cc1
C[C@@H]1CN(CCCc2ccccc2)[C@@H](C)CN1
CC(C)(CNCCCc1ccccc1)CNCCOC(c1ccccc1)c1ccccc1
C[C@H]1CN(C\C=C\c2ccccc2)[C@H](C)CN1CCOC(c1ccccc1)c1ccccc1
Fc1ccc(cc1)C(OCCN1CCC[C@H]1CNCCCc1ccccc1)c1ccc(F)cc1
CC(C)(CN)CNCCOC(c1ccccc1)c1ccccc1
C(CNC[C@H]1CCCN1CCOC(c1ccccc1)c1ccccc1)Cc1ccccc1
C(CN1CCCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
C(CN1CCCCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Fc1ccc(cc1)C(OCCN1CCCNCC1)c1ccc(F)cc1
C(CN1CCNCC1)OC(c1ccccc1)c1ccccc1
C[C@@H]1CN(CCOC(c2ccccc2)c2ccccc2)[C@@H](C)CN1CCCc1ccccc1
C(\C=C\N1CCCNCC1)c1ccccc1
C(CN1CCNCC1)Cc1ccccc1
CC1(C)CN(CCCc2ccccc2)CCN(CCOC(c2ccccc2)c2ccccc2)C1
C(CNC1CCCCN(CCOC(c2ccccc2)c2ccccc2)C1)Cc1ccccc1
Fc1ccc(cc1)C(OCCN1CCCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
Oc1cccc(CCCNC[C@@H]2CCCN2CCOC(c2ccccc2)c2ccccc2)c1
C[C@@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H](C)CN1CCCc1ccccc1
CNCCN(C)CCOC(c1ccccc1)c1ccccc1
C[C@@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H](C)CN1
C(CN1CCCNCC1)OC(c1ccccc1)c1ccccc1
C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)OC(c1ccccc1)c1ccccc1
Fc1ccc(cc1)C(OCCN1CCNCC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
NCCCCNCCOC(c1ccccc1)c1ccccc1
C(CN1CCCCC(C1)NCCOC(c1ccccc1)c1ccccc1)Cc1ccccc1
C[C@@H]1CN(CCOC(c2ccccc2)c2ccccc2)[C@@H](C)CN1
C[C@H]1CN(CCCc2ccccc2)[C@H](C)CN1CCCc1ccccc1
Fc1ccc(cc1)C(OCCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(F)cc1
CN(CCCc1ccccc1)CCN(C)CCOC(c1ccccc1)c1ccccc1
C(CN1CCCN(C\C=C\c2ccccc2)CC1)OC(c1ccccc1)c1ccccc1
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccc(=O)n(C)n2)CC1 |r|
CCc1ccc(cc1I)C1CC2CCC(N2)C1C(=O)OC |THB:5:9:15:13.12,17:16:15:13.12|
[O-][S+](Cc1nc(no1)C(F)(F)F)C(c1ccccc1)c1ccccc1
[O-][S+](Cc1ccsc1Br)C(c1ccccc1)c1ccccc1
[O-][S+](Cc1ccc(Cl)s1)C(c1ccccc1)c1ccccc1
[O-][S+](Cc1cc(Br)cs1)C(c1ccccc1)c1ccccc1
Cc1ccc(cc1)C([S+]([O-])Cc1cccs1)c1ccccc1
[O-][S+](Cc1csc(Br)c1)C(c1ccccc1)c1ccccc1
[O-][S+](Cc1cccs1)C(c1ccc(F)cc1)c1ccc(F)cc1
CN1C2CCC1C(=C(C2)c1ccccc1)c1ccccc1 |c:7,TLB:9:7:1:4.3,15:6:1:4.3|
CN1C2CCC1C(O)(C(C2)c1ccccc1)c1ccccc1 |TLB:16:6:1:4.3,10:8:1:4.3,7:6:1:4.3|
COC(=O)[C@@H]1C2CCC(CC1c1ccc(cc1)C(C)C)N2C\C=C\I |THB:2:4:20:6.7,11:10:20:6.7|
COC(=O)[C@@H]1C2CCC(CC1c1ccc(I)cc1)N2Cc1ccccc1C |THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)[C@@H]1C2CCC(CC1c1ccc(I)cc1)N2C\C=C\C |THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)[C@@H]1C2CCC(CC1c1ccccc1)N2C\C=C\I |THB:2:4:17:6.7,11:10:17:6.7|
COC(=O)[C@@H]1C2CCC(CC1c1ccc(I)cc1)N2CC#C |THB:2:4:18:6.7,11:10:18:6.7|
CCCc1ccc(cc1)C1CC2CCC([C@H]1C(=O)OC)N2C\C=C\I |THB:16:15:20:13.12,6:9:20:13.12|
COC(=O)[C@@H]1C2CCC(CC1c1ccc(I)cc1)N2CC(Br)=C |THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)[C@@H]1C2CCC(CC1c1ccc(I)cc1)N2C\C=C\I |THB:2:4:18:6.7,11:10:18:6.7|
CC(C)OC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccc(I)cc1O)N2C |THB:4:6:24:8.9,25:24:6.12.11:8.9,13:12:24:8.9|
COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1O)N2C |THB:11:10:21:6.7,2:4:21:6.7,22:21:4.10.9:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccc(I)cc1O)N2C |THB:23:22:4.10.9:6.7,11:10:22:6.7,2:4:22:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccc(I)cc1)N2C |THB:22:21:4.10.9:6.7,11:10:21:6.7,2:4:21:6.7|
Fc1ccc(cc1)[C@@H]1CC2CCC(N2)[C@@H]1COc1ccc2OCOc2c1 |THB:15:14:13:11.10,4:7:13:11.10|
Fc1ccc(cc1)[C@H]1CC2CCC(N2)[C@@H]1COc1ccc2OCOc2c1 |THB:15:14:13:11.10,4:7:13:11.10|
CN1C2CCC1[C@@H](COC(=O)CC[S+]1CC[S+](C)[Re]1(Br)(C=O)(C=O)C=O)[C@H](C2)c1ccc(F)cc1 |TLB:28:26:1:4.3,7:6:1:4.3|
CSCCSCCC(=O)OC[C@@H]1C2CCC(C[C@@H]1c1ccc(F)cc1)N2C |THB:10:11:25:13.14,18:17:25:13.14|
CCN1CCc2c(sc3ccccc23)C(C1)c1ccc(Cl)c(Cl)c1
CN1CCc2c([nH]c3ccccc23)C(C1)c1ccccc1
CCN1CCc2c(sc3ccccc23)C(C1)c1cccc(Br)c1
CCN1CCc2c(sc3ccccc23)C(C1)c1cccc(c1)[N+]([O-])=O
CC[C@@H]1CC2C[C@H]3C1N(C2)CCc1c3[nH]c2ccc(O)cc12 |TLB:3:4:7:13.12.11.10,THB:13:6:8.9:2.3,1:2:8.9:6.5,10:8:6.5:2.3|
CCN1CCc2c(sc3ccccc23)C(C1)c1ccccc1
CN1CCN(CC1)c1ccc2Cc3ccccc3-c2n1
CN1CCN(CC1)c1nc2ccccc2c2C3CCC(C3)Cc12
CN1CCN(CC1)c1nc2ccccc2c2CCCCc12
NCCc1c[nH]c2ccc(O)cc12
O=C1CN(CCOC(c2ccccc2)c2ccccc2)CCN1CCCc1ccccc1
CN(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)CCN(C)CCOC(c1ccc(F)cc1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCNCCCNC(=O)Cc1ccccc1)c1ccc(F)cc1
CN(CCOC(c1ccccc1)c1ccccc1)CCN(C)CCc1ccc(F)cc1
CN(CCCN(C)CCOC(c1ccccc1)c1ccccc1)CCCc1ccccc1
CN(CCCN(C)CCc1ccccc1)CCOC(c1ccccc1)c1ccccc1
Fc1ccc(cc1)C(OCCNCCNC(=O)Cc1ccccc1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCNCCCNCCc1ccccc1)c1ccc(F)cc1
Fc1ccc(CC(=O)NCCNCCOC(c2ccc(F)cc2)c2ccc(F)cc2)cc1
Fc1ccc(cc1)C(OCCN1CCN(CCc2ccccc2)CC1=O)c1ccc(F)cc1
C[C@@H]1CN(CCCn2c3ccc(Br)cc3c3cc(Br)cc(Br)c23)C[C@@H](C)N1
CN(C)C1C2CCC(CC2OC(=O)c2ccccc2)C1c1ccccc1 |TLB:20:19:9.8:5.6,THB:10:9:3.19:5.6,1:3:9.8:5.6|
CN(C)C1C2CCC(CC2=O)C1c1ccccc1 |TLB:10:9:3.11:5.6,12:11:9.8:5.6,THB:1:3:9.8:5.6|
CN(C)CC1C2CCC(CC2)C1c1ccc(Cl)c(Cl)c1 |TLB:12:11:6.7:10.9,3:4:6.7:10.9,(14.29,-10.51,;12.82,-10.91,;12.42,-12.4,;11.72,-9.83,;10.24,-10.23,;8.64,-9.3,;8.64,-7.92,;9.48,-7.09,;9.48,-8.18,;7.78,-8.95,;7.01,-10.17,;11.05,-9.11,;11.79,-7.76,;11.02,-6.45,;11.76,-5.1,;13.32,-5.1,;14.1,-3.67,;14.09,-6.42,;15.64,-6.42,;13.33,-7.76,)|
CN(C)C1C2CCC(CC2O)C1c1ccccc1 |TLB:12:11:9.8:5.6,10:9:3.11:5.6,THB:1:3:9.8:5.6|
CN(C)C1C2CCC(CC2OC(C)=O)C1c1ccccc1 |TLB:10:9:3.14:5.6,15:14:9.8:5.6,THB:1:3:9.8:5.6|
CN1CCN(CC1)c1nc2ccccc2c(-c2ccccc2)c1COC(=O)c1ccccc1
CN1CCN(CC1)c1cc2-c3ccccc3-c3cccc(n1)c23
CN1CCN(CC1)c1nc2ccccc2c2-c3ccsc3CCc12
OC[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:5:6:3.2:9.10|
COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1cccs1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
OC[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccccc1 |TLB:5:6:3.2:9.10|
COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1cccc2ccccc12 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(cc1)-c1ccccc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C/c1ccccc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
CC(=O)OC[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccccc1 |TLB:8:9:6.5:12.13|
COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccoc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccco1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(F)cc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
COC(=O)C1=C(CC2CCC1N2C)c1ccc2ccccc2c1 |t:4,THB:12:11:4.5.6:9.8,13:5:11:9.8,2:4:11:9.8|
COC(=O)C1=C(CC2CCC1N2C)c1ccc(F)cc1 |t:4,THB:2:4:11:9.8,13:5:11:9.8,12:11:4.5.6:9.8|
COC(=O)C1=C(CC2CCC1C2)c1ccccc1 |t:4,TLB:12:5:11:9.8,THB:2:4:11:9.8|
COC(=O)[C@@H]1C2CCC(CC1c1ccc3ccccc3c1)N2C |TLB:2:4:21:6.7,THB:11:10:21:6.7|
COC(=O)C1C2CCC(C2)CC1c1ccccc1 |TLB:12:11:9:6.7,THB:2:4:9:6.7|
COC(=O)c1ccccc1-c1ccc(F)cc1
COC(=O)C1=C(CC2CCC1C2)c1ccc2ccccc2c1 |t:4,TLB:12:5:11:9.8,THB:2:4:11:9.8|
COC(=O)C1=C(CC2CCC1C2)c1ccc(F)cc1 |t:4,TLB:12:5:11:9.8,THB:2:4:11:9.8|
COC(=O)c1ccccc1C(=O)OC
COC(=O)c1ccccc1-c1ccc(cc1)-c1ccc(Br)cc1
COC(=O)c1ccccc1-c1ccc(Cl)cc1
COC(=O)c1ccccc1-c1ccc2ccccc2c1
COC(=O)c1ccccc1-c1ccccc1
COC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2C |TLB:22:21:4.10.9:6.7,11:10:21:6.7,THB:2:4:21:6.7|
COC(=O)[C@@H]1C2CCC(C2)CC1c1ccc2ccccc2c1 |TLB:2:4:9:6.7,THB:12:11:9:6.7|
C(CNC1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Fc1ccc(CCNC2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
CN(CCOC(c1ccccc1)c1ccccc1)C1CCN(CCCc2ccccc2)CC1
CN(CCc1ccc(F)cc1)CC1CCCN(CCOC(c2ccccc2)c2ccccc2)C1
C(CNCC1CCCN(CCOC(c2ccccc2)c2ccccc2)C1)Cc1ccccc1
CN(CCCc1ccccc1)C1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
Fc1ccc(CCN2CCCC(CNCCOC(c3ccccc3)c3ccccc3)C2)cc1
C(COC(c1ccccc1)c1ccccc1)NC1CCN(Cc2ccccc2)CC1
Fc1ccc(CCNCC2CCCN(CCOC(c3ccccc3)c3ccccc3)C2)cc1
C(CN1CCCC(CNCCOC(c2ccccc2)c2ccccc2)C1)Cc1ccccc1
Fc1ccc(cc1)C(OCCN1CC2CCC(C1)N2C\C=C\c1cccs1)c1ccc(F)cc1 |THB:19:18:14.15:11.12.17,10:11:14.15:18|
CN1CC2CC1CN2CCOC(c1ccccc1)c1ccccc1 |THB:0:1:4:6.7,8:7:1.2:4|
C(CN1CC2CC1CN2CCOC(c1ccccc1)c1ccccc1)Cc1ccccc1 |THB:1:2:5:7.8,9:8:2.3:5|
Fc1ccc(cc1)C(OCCN1CC2CCC(C1)N2C\C=C\c1cccnc1)c1ccc(F)cc1 |THB:19:18:14.15:11.12.17,10:11:14.15:18|
Fc1ccc(cc1)C(OCCN1CC2CCC(C1)N2C\C=C\c1ccco1)c1ccc(F)cc1 |THB:19:18:14.15:11.12.17,10:11:14.15:18|
Fc1ccc(cc1)C(OCCN1CC2CC1CN2CCCc1ccccc1)c1ccc(F)cc1 |THB:18:17:11.12:14,10:11:14:16.17|
CN1C2CCC1CN(CCOC(c1ccccc1)c1ccccc1)CC2 |TLB:8:7:1:3.4|
CN1C2CCC1CN(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)CC2 |TLB:8:7:1:3.4|
C(CN1C2CCC1CN(CCOC(c1ccccc1)c1ccccc1)C2)Cc1ccccc1 |THB:1:2:4.5:7.8.25,9:8:2:4.5|
C(CN1CCC2CCC(C1)N2)OC(c1ccccc1)c1ccccc1
CN1C2CCC1CN(CCOC(c1ccccc1)c1ccccc1)C2
Fc1ccc(cc1)C(OCCN1CC2CCC(C1)N2Cc1cc2ccccc2[nH]1)c1ccc(F)cc1
CN1CC2CC1CN2CCOC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:0:1:4:6.7,8:7:1.2:4|
Fc1ccc(cc1)C(OCCN1CCC2CCC(C1)N2CCCc1ccccc1)c1ccc(F)cc1 |TLB:10:11:15.16:19|
Fc1ccc(cc1)C(OCCN1CC2CCC(C1)N2CCCc1ccccc1)c1ccc(F)cc1 |THB:19:18:14.15:11.12.17,10:11:14.15:18|
C(CN1C2CCC1CN(CCOC(c1ccccc1)c1ccccc1)CC2)Cc1ccccc1 |TLB:9:8:2:4.5|
CN1C2CCC1CN(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)C2 |THB:0:1:3.4:6.7.26,8:7:1:3.4|
CN[C@@H]1CC(c2c1cccc2OC)c1ccc(Cl)c(Cl)c1
CN[C@@H]1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1OC
CN[C@@H]1CC(c2cccc(OC)c12)c1ccc(Cl)c(Cl)c1
CN[C@@H]1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
CN[C@@H]1[C@@H](O)C(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
CN[C@@H]1CC(c2cc(OC)c(OC)cc12)c1ccc(Cl)c(Cl)c1
CN[C@@H]1CC(c2cc(OC)ccc12)c1ccc(Cl)c(Cl)c1
CCCN(C)[C@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
CN(C)[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1 |r|
CCCN[C@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
CN(C)C1CC(c2ccc(I)cc12)c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1Cl)[C@@H]1C[C@H](NCc2ccccc2)c2ccccc12
CN[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
CN(C)[C@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
CC(C)N(C)[C@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
CCN(C)[C@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1 |r|
CCN(C)[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
CC(C)(C)N[C@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1Cl)[C@@H]1C[C@@H](NCc2ccccc2)c2ccccc12
CC(C)N[C@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
CC(C)N(C)[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
CCCN[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
CN(Cc1ccccc1)[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
CC(C)(C)N[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
CCN[C@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
CCN[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
CN([C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1)C(C)(C)C
CN(Cc1ccccc1)[C@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1 |r|
CN[C@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
CN(C)[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
CCCN(C)[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
CC(C)N[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
CN([C@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1)C(C)(C)C
COC(=O)C1CN(C)CC[C@@H]1c1ccc(cc1)-c1ccccc1
CCc1ccc(cc1)[C@H]1CCN(C)CC1C(=O)OC
COC(=O)C1CN(C)CC[C@@H]1c1ccc(C=C)cc1
COC(=O)C1CNCC[C@H]1c1ccc2ccccc2c1
COC(=O)C1CN(C)CC[C@@H]1c1ccc(Cl)cc1
COC(=O)C1CN(C)CC[C@@H]1c1cccc2ccccc12
COC(=O)C1CN(C)CC[C@@H]1c1ccc(CC=C)cc1
COC(=O)C1CN(C)CC[C@@H]1c1ccc(cc1)C#C
CN1CC[C@@H]([C@H](C1)C(=O)OCCCOC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCNC(=O)\C=C\c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)C(=O)OCCCCCCCCOC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
CNC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)C(=O)NCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
CNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)C(=O)NCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCNC(=O)c1ccccc1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)C(=O)NCCCNC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)C(=O)NCCCCCCCCNC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)C(=O)OCCCCCOC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCNC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
COC(=O)C1C2[C@H](O)CC(CC1c1ccc(Cl)c(Cl)c1)N2C |TLB:21:20:4.11.10:6.8,THB:7:6:20:4.11.10,2:4:20:6.8,12:11:20:6.8|
COC(=O)C1C2[C@H](O)CC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:29:28:4.11.10:6.8,THB:7:6:28:4.11.10,12:11:28:6.8,2:4:28:6.8|
COC(=O)C1C2C[C@H](O)C(CC1c1ccc(Cl)c(Cl)c1)N2C |TLB:21:20:4.11.10:6.7,8:7:20:4.11.10,12:11:20:6.7,THB:2:4:20:6.7|
COC(=O)C1C2C[C@H](O)C(CC1c1ccc3ccccc3c1)N2C |TLB:8:7:22:4.11.10,23:22:4.11.10:6.7,THB:12:11:22:6.7,2:4:22:6.7|
COC(=O)C1C2[C@@H](O)CC(CC1c1ccc(Cl)c(Cl)c1)N2C |TLB:21:20:4.11.10:6.8,12:11:20:6.8,THB:7:6:20:4.11.10,2:4:20:6.8|
COC(=O)C1=C(CC2[C@@H](O)CC1N2C)c1ccccc1 |t:4,TLB:9:8:12:4.5.6,THB:2:4:12:10.8,14:5:12:10.8,13:12:4.5.6:10.8|
COC(=O)C1=C(CC2C[C@@H](O)C1N2C)c1ccc(F)cc1 |t:4,THB:2:4:12:9.8,14:5:12:9.8,10:9:12:4.5.6,13:12:4.5.6:9.8|
COC(=O)C1C2[C@H](O)CC(CC1c1ccc3ccccc3c1)N2C |TLB:23:22:4.11.10:6.8,12:11:22:6.8,THB:7:6:22:4.11.10,2:4:22:6.8|
COC(=O)C1C2C[C@H](O)C(CC1c1ccccc1)N2C |TLB:19:18:4.11.10:6.7,8:7:18:4.11.10,THB:2:4:18:6.7,12:11:18:6.7|
CCOC(=O)C1C2[C@H](O)CC(CC1c1ccc(Cl)c(Cl)c1)N2C |TLB:22:21:5.12.11:7.9,13:12:21:7.9,THB:8:7:21:5.12.11,3:5:21:7.9|
COC(=O)C1=C(CC2CCC1N2C)c1ccccc1 |t:4,THB:2:4:11:9.8,13:5:11:9.8,12:11:4.5.6:9.8|
COC(=O)C1=C(CC2C[C@H](O)C1N2C)c1ccc(Cl)c(Cl)c1 |t:4,TLB:10:9:12:4.5.6,2:4:12:9.8,THB:13:12:4.5.6:9.8,14:5:12:9.8|
COC(=O)C1C2C[C@H](O)C(CC1c1ccc(F)cc1)N2C |TLB:20:19:4.11.10:6.7,8:7:19:4.11.10,THB:2:4:19:6.7,12:11:19:6.7|
COC(=O)C1C2[C@H](O)CC(CC1c1ccccc1)N2C |TLB:19:18:4.11.10:6.8,THB:2:4:18:6.8,12:11:18:6.8,7:6:18:4.11.10|
COC(=O)C1=C(CC2[C@@H](O)CC1N2C)c1ccc(Cl)c(Cl)c1 |t:4,TLB:9:8:12:4.5.6,THB:13:12:4.5.6:10.8,14:5:12:10.8,2:4:12:10.8|
COC(=O)C1C2[C@H](O)CC(CC1c1ccc(F)cc1)N2C |TLB:20:19:4.11.10:6.8,THB:2:4:19:6.8,12:11:19:6.8,7:6:19:4.11.10|
COC(=O)C1C2C[C@@H](O)C(CC1c1ccc(Cl)c(Cl)c1)N2C |TLB:21:20:4.11.10:6.7,8:7:20:4.11.10,12:11:20:6.7,THB:2:4:20:6.7|
COC(=O)C1=C(CC2C[C@@H](O)C1N2C)c1ccc2ccccc2c1 |t:4,THB:13:12:4.5.6:9.8,10:9:12:4.5.6,2:4:12:9.8,14:5:12:9.8|
COC(=O)C1=C(CC2[C@@H](O)CC1N2C)c1ccc2ccccc2c1 |t:4,TLB:9:8:12:4.5.6,THB:13:12:4.5.6:10.8,14:5:12:10.8,2:4:12:10.8|
COC(=O)C1=C(CC2C[C@@H](O)C1N2C)c1ccccc1 |t:4,THB:2:4:12:9.8,14:5:12:9.8,10:9:12:4.5.6,13:12:4.5.6:9.8|
COC(=O)C1=C(CC2[C@@H](O)CC1N2C)c1ccc(F)cc1 |t:4,TLB:9:8:12:4.5.6,THB:2:4:12:10.8,14:5:12:10.8,13:12:4.5.6:10.8|
COC(=O)C1C2[C@H](O)C[C@H](CC1c1ccc(Cl)c(Cl)c1)N2C |TLB:21:20:4.11.10:6.8,THB:7:6:20:4.11.10,2:4:20:6.8,12:11:20:6.8|
COC(=O)C1C2C[C@H](O)C(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:8:7:28:4.11.10,29:28:4.11.10:6.7,THB:12:11:28:6.7,2:4:28:6.7|
COC(=O)C1=C(CC2C[C@@H](O)C1N2C)c1ccc(Cl)c(Cl)c1 |t:4,THB:10:9:12:4.5.6,13:12:4.5.6:9.8,2:4:12:9.8,14:5:12:9.8|
CN1C2CCC1CC(C2)=CC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:0:1:7.8.6:3.4,THB:9:7:1:3.4|
CN1C2CCC1CC(CC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 |TLB:0:1:7.27.6:3.4,THB:8:7:1:3.4|
C(CN1C2CCC1CC(CCOC(c1ccccc1)c1ccccc1)C2)Cc1ccccc1 |THB:9:8:2:4.5|
CN1C2CCC1CC(C2)=CCOC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:9:7:1:3.4|
Fc1ccc(cc1)C(OCCC1CC2CCC(C1)N2CCCc1ccccc1)c1ccc(F)cc1 |TLB:10:11:18:14.15|
CN1C2CCC1CC(CCNC(c1ccc(F)cc1)c1ccc(F)cc1)C2 |TLB:0:1:3.4:26.6.7,THB:8:7:1:3.4|
CN1C2CCC1CC(CC(=O)NC(c1ccccc1)c1ccccc1)C2 |TLB:0:1:7.25.6:3.4,THB:8:7:1:3.4|
CN1C2CCC1CC(C2)=CCOC(c1ccccc1)c1ccccc1 |THB:9:7:1:3.4|
CN1C2CCC1CC(CCNC(c1ccccc1)c1ccccc1)C2 |TLB:0:1:3.4:24.6.7,THB:8:7:1:3.4|
CN1C2CCC1CC(C2)=CC(=O)NC(c1ccccc1)c1ccccc1 |TLB:0:1:7.8.6:3.4,THB:9:7:1:3.4|
CN1C2CCC1CC(CCOC(c1ccccc1)c1ccccc1)C2 |THB:8:7:1:3.4|
Clc1cccc(c1)C(OC1CC2CCC(C1)N2CC=C)c1ccccc1 |TLB:8:9:16:12.13,17:16:9.10.15:12.13|
CCCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccccc1)c1cccc(Cl)c1 |TLB:8:10:16.15.17:12.13,THB:18:16:10:12.13|
CCCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |TLB:8:10:16.15.17:12.13,THB:18:16:10:12.13|
Clc1cccc(c1)C(OC1CC2CCC(C1)N2)c1ccccc1 |TLB:8:9:16:12.13|
CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(Cl)cc1 |THB:9:7:1:3.4|
Clc1ccc(cc1)C(OC1CC2CCC(C1)N2)c1ccccc1 |TLB:8:9:16:12.13|
CCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |TLB:7:9:15.14.16:11.12,THB:17:15:9:11.12|
CN1C2CCC1CC(C2)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |THB:9:7:1:3.4|
CCCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(Cl)cc1 |TLB:8:10:16.15.17:12.13,THB:18:16:10:12.13|
CCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(Cl)cc1 |TLB:7:9:15.14.16:11.12,THB:17:15:9:11.12|
Clc1cccc(c1)C(OC1CC2CCC(C1)N2Cc1ccccc1)c1ccccc1 |TLB:8:9:16:12.13,17:16:9.15.10:12.13|
Clc1ccc(cc1)C(OC1CC2CCC(C1)N2)c1ccc(Cl)cc1 |TLB:8:9:16:12.13|
Clc1ccc(cc1)C(OC1CC2CCC(C1)N2CC=C)c1ccc(Cl)cc1 |TLB:17:16:9.10.15:12.13,8:9:16:12.13|
Clc1ccc(cc1)C(OC1CC2CCC(C1)N2Cc1ccccc1)c1ccccc1 |TLB:8:9:16:12.13,17:16:9.15.10:12.13|
Clc1ccc(cc1)C(OC1CC2CCC(C1)N2CC=C)c1ccccc1 |TLB:17:16:9.10.15:12.13,8:9:16:12.13|
Clc1ccc(cc1)C(OC1CC2CCC(C1)N2Cc1ccccc1)c1ccc(Cl)cc1 |TLB:8:9:16:12.13,17:16:9.15.10:12.13|
CCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccccc1)c1cccc(Cl)c1 |TLB:7:9:15.14.16:11.12,THB:17:15:9:11.12|
CN1C2CCC1CC(C2)OC(c1ccccc1)c1cccc(Cl)c1 |THB:9:7:1:3.4|
Fc1ccc(CN2CCC(CCNC(c3ccccc3)c3ccccc3)CC2)cc1F
Fc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1F
CN(CCC1CCN(Cc2ccc(F)cc2)CC1)C(c1ccccc1)c1ccccc1
Fc1cccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)c1
CS(=O)(=O)Nc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
CC(NCCC1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1
CN(CC(c1ccccc1)c1ccccc1)CC1CCN(Cc2ccc(F)cc2)CC1
CC(OCCC1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1
O=C(Cc1ccccc1)N1CCC(CCOC(c2ccccc2)c2ccccc2)CC1
Fc1ccc(CN2CCC(CNOC(c3ccccc3)c3ccccc3)CC2)cc1
Fc1ccc(cc1)C(NCC1CCN(CCc2ccccc2)CC1)c1ccc(F)cc1
C(CC1CCN(Cc2ccccc2)CC1)NC(c1ccccc1)c1ccccc1
COC(=O)C1CN(CCC(c2ccccc2)c2ccccc2)CC[C@@H]1c1ccc(Cl)cc1
CN1CC[C@@H](C(C1)c1nc(C)no1)c1ccc(Cl)cc1
COC(=O)C1CN(CC[C@@H]1c1ccc(Cl)cc1)C(C)C
COC(=O)C1CN(CC[C@@H]1c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1
CN1CC[C@@H](C(CO)C1)c1ccc(Cl)cc1
CCOC(=O)CCN1CC[C@@H](C(C1)C(=O)OC)c1ccc(Cl)cc1
COC(=O)C1CN(CC[C@@H]1c1ccc(Cl)cc1)C(C)=O
Cc1noc(n1)C1CNCC[C@@H]1c1ccc(Cl)cc1
COC(=O)C1CN(CCCc2ccccc2)CC[C@@H]1c1ccc(Cl)cc1
OCC1CNCC[C@@H]1c1ccc(Cl)cc1
COC(=O)C1CN(CCCF)CC[C@@H]1c1ccc(Cl)cc1
COC(=O)C1CN(Cc2ccc(O)cc2)CC[C@@H]1c1ccc(Cl)cc1
COC(=O)C1CN(CCCCl)CC[C@@H]1c1ccc(Cl)cc1
COC(=O)C1CNCC[C@@H]1c1ccc(Cl)cc1
COc1ccc(cc1)C1(O)N2CCCN=C2c2ccccc12 |c:15|
Oc1ccc(cc1)C1(O)N2CCCN=C2c2ccccc12 |c:14|
COc1cccc2c1C1=NCCN1C2(O)c1ccc(Cl)cc1 |t:9|
OC1(N2CCCN=C2c2ccccc12)c1ccc2OCOc2c1 |c:6|
COc1ccc2C3=NCCN3C(O)(c2c1)c1ccc(Cl)cc1 |t:6|
COc1cccc2C3=NCCN3C(O)(c12)c1ccc(Cl)cc1 |t:7|
Clc1ccc(cc1)C1N2CCN=C2c2ccccc12 |c:12|
OC1(N2CCN=C2c2c1cccc2F)c1ccc(Cl)cc1 |c:5|
OC1(N2CCN=C2c2cc(Cl)c(Cl)cc12)c1ccc(Cl)cc1 |c:5|
OC1(N2CCN=C2c2ccccc12)c1ccccc1 |c:5|
C[C@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(Cc3nc(oc3C)-c3c(C)cccc3Cl)CC2)C1 |r|
CC(C)c1ccc(CN2CCCC(CCOC(c3ccccc3)c3ccccc3)C2)cc1
C=Cc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
C(CC1CCN(Cc2ccc(cc2)-c2ccc3ccccc3c2)CC1)OC(c1ccccc1)c1ccccc1
Oc1cccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)c1
COc1cccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)c1
C(CC1CCN(Cc2ccc(cc2)-c2cccc3ccccc23)CC1)OC(c1ccccc1)c1ccccc1
COC(=O)c1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
C#Cc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
CC(=C)c1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
CC#Cc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Oc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
CN(C)C(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:7:6:12.13:9.10,THB:12:11:14:7.8,3:5:14:7.8,3:5:12.13:9.10,13:14:5.11.10:7.8|
Clc1cccc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)c1 |TLB:15:14:7.8:10.26,THB:12:13:7.8:10.26|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc2ccccc2c1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1cc2ccccc2c2ccccc12 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
CC(=O)OCC1C2CCC3CC1\C(CN23)=C\c1ccc2ccccc2c1 |TLB:7:6:12.13:9.10,THB:4:5:12.13:9.10|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(cc1)C(F)(F)F |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1cccc(Cl)c1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(Cl)cc1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(Br)cc1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
CC(=O)OCC1C2CCC3CC1\C(CN23)=C\c1cccc(Cl)c1 |TLB:7:6:12.13:9.10,THB:4:5:12.13:9.10|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1cccc2ccccc12 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(C)c(Cl)c1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(Br)c(Cl)c1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
Clc1ccc(\C=C2/CN3C4CCC3C(\C=C/c3ccccc3)C2C4)cc1Cl |TLB:14:13:6.7:9.23,THB:11:12:6.7:9.23|
Clc1cc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)ccc1Br |TLB:13:12:5.6:8.24,THB:10:11:5.6:8.24|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccccc1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
Clc1ccc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)cc1Cl |TLB:14:13:6.7:9.25,THB:11:12:6.7:9.25|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(\C=C2/CN3C4CCC3C(C2C4)C(=O)OC)cc1 |TLB:30:27:22:25.24,30:27:20.21:23.29,6:5:11.12:8.9,20:28:22:25.24,THB:2:4:13:6.7,2:4:11.12:8.9,25:26:20.21:23.29,11:10:13:6.7,12:13:4.10.9:6.7,21:22:27.28.29:25.24|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(I)cc1Cl |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1cc(Cl)cc(Cl)c1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
Cc1ccc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)cc1Cl |TLB:14:13:6.7:9.25,THB:11:12:6.7:9.25|
CC(=O)OCC1C2CCC3CC1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:7:6:12.13:9.10,THB:4:5:12.13:9.10|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(F)c(F)c1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
O=C(OCC1C2CCC3CC1\C(CN23)=C\c1ccc2ccccc2c1)c1ccccc1 |TLB:6:5:11.12:8.9,THB:3:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(C)c(C)c1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
Clc1ccc(\C=C2/CN3C4CCC3C(COC(=O)c3ccc(I)cc3)C2C4)cc1Cl |TLB:14:13:6.7:9.26,THB:11:12:6.7:9.26|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(C)cc1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc2ccc3cccc4ccc1c2c34 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(F)cc1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
Brc1ccc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)cc1 |TLB:14:13:6.7:9.25,THB:11:12:6.7:9.25|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(I)c(Cl)c1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
CC(=O)OCC1C2CCC3CC1\C(CN23)=C\c1ccc(I)cc1 |TLB:7:6:12.13:9.10,THB:4:5:12.13:9.10|
CON(C)C(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:8:7:13.14:10.11,THB:13:12:15:8.9,4:6:15:8.9,4:6:13.14:10.11,14:15:6.12.11:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(OC)cc1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
Clc1ccc(\C=C2/CN3C4CCC3C(COC(=O)CCCCCCCCCC(=O)OCC3C5CCC6CC3\C(CN56)=C\c3ccc(Cl)c(Cl)c3)C2C4)cc1Cl |TLB:14:13:6.7:9.51,33:32:38.39:35.36,THB:30:31:40:33.34,30:31:38.39:35.36,38:37:40:33.34,11:12:6.7:9.51,39:40:31.37.36:33.34|
Clc1ccc(\C=C2/CN3C4CCC3C(C2C4)C(=O)Oc2ccccc2)cc1Cl |TLB:6:14:8:11.10,16:13:8:11.10,16:13:6.7:9.15,THB:7:8:13.14.15:11.10,11:12:6.7:9.15|
Clc1ccc(\C=C2/CN3C4CCC3C(COc3ccc(I)cc3)C2C4)cc1Cl |TLB:14:13:6.7:9.24,THB:11:12:6.7:9.24|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1cccc(Cl)c1Cl |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
CNC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(cc1)C(C)C |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
CC(C)OC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:8:7:13.14:10.11,THB:13:12:15:8.9,4:6:15:8.9,4:6:13.14:10.11,14:15:6.12.11:8.9|
Clc1ccc(\C=C2/CN3C4CCC3C(COC(=O)c3ccc5ccccc5c3)C2C4)cc1Cl |TLB:14:13:6.7:9.29,THB:11:12:6.7:9.29|
CCC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:6:5:11.12:8.9,THB:2:4:11.12:8.9|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2cccs2)C1CC3 |THB:2:4:12.11:9.26.8.27,6:5:12.11:9.26.8.27|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(s2)-c2ccc(OC)cc2)C1CC3 |THB:2:4:12.11:9.28.8.29,6:5:12.11:9.28.8.29|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-n2cccc2)C1CC3 |THB:2:4:12.11:9.26.8.27,6:5:12.11:9.26.8.27|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccc(C)s2)C1CC3 |THB:2:4:12.11:9.27.8.28,6:5:12.11:9.27.8.28|
COC(=O)C1C2CCC3CN2C\C(=C/c2cc(Cl)c(c(Cl)c2)-c2ccccc2)C1CC3 |THB:2:4:12.11:9.29.8.30,6:5:12.11:9.29.8.30|
CC(=O)OCC1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccccc2)C1CC3 |THB:4:5:13.12:10.28.9.29,7:6:13.12:10.28.9.29|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccsc2)C1CC3 |THB:2:4:12.11:9.26.8.27,6:5:12.11:9.26.8.27|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccc(I)cc2)C1CC3 |THB:2:4:12.11:9.28.8.29,6:5:12.11:9.28.8.29|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccc(cc2)N(C)C)C1CC3 |THB:2:4:12.11:9.30.8.31,6:5:12.11:9.30.8.31|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccc(OC)cc2)C1CC3 |THB:2:4:12.11:9.29.8.30,6:5:12.11:9.29.8.30|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2cc(Cl)cc(Cl)c2)C1CC3 |THB:2:4:12.11:9.29.8.30,6:5:12.11:9.29.8.30|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccc(cc2)C(F)(F)F)C1CC3 |THB:2:4:12.11:9.31.8.32,6:5:12.11:9.31.8.32|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccc(Cl)cc2)C1CC3 |THB:2:4:12.11:9.28.8.29,6:5:12.11:9.28.8.29|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccc(Cl)cc2Cl)C1CC3 |THB:2:4:12.11:9.29.8.30,6:5:12.11:9.29.8.30|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccco2)C1CC3 |THB:2:4:12.11:9.26.8.27,6:5:12.11:9.26.8.27|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(c(Cl)c2)-c2ccccc2)C1CC3 |THB:2:4:12.11:9.28.8.29,6:5:12.11:9.28.8.29|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccc(C)cc2)C1CC3 |THB:2:4:12.11:9.28.8.29,6:5:12.11:9.28.8.29|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccc(cc2)C#N)C1CC3 |THB:2:4:12.11:9.29.8.30,6:5:12.11:9.29.8.30|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2cccc(Cl)c2)C1CC3 |THB:2:4:12.11:9.28.8.29,6:5:12.11:9.28.8.29|
Clc1ccc(cc1Cl)-c1ccc(\C=C2/CN3CC4CCC3C(COC(=O)c3ccccc3)C2CC4)cc1Cl |THB:19:20:13.14:16.33.17.34,22:21:13.14:16.33.17.34|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(s2)-c2ccccc2)C1CC3 |THB:2:4:12.11:9.26.8.27,6:5:12.11:9.26.8.27|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccc(Cl)c(Cl)c2)C1CC3 |THB:2:4:12.11:9.29.8.30,6:5:12.11:9.29.8.30|
Fc1ccc(CCNC2CCC(NC2)C(c2ccccc2)c2ccccc2)cc1
Fc1ccc(cc1)N(CCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)N(CCCN1CCNCC1)c1ccc(F)cc1
Fc1ccc(cc1)N(CCCN1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
CC(C)OC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:13:12:29:8.9,THB:4:6:29:8.9|
CN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCCc1ccccc1 |TLB:25:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCc1ccccc1 |TLB:25:6:1:4.3,THB:9:7:1:4.3|
CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:12:11:28:7.8,THB:3:5:28:7.8|
CN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCCc1ccc(N)cc1 |TLB:25:6:1:4.3,THB:9:7:1:4.3|
C[C@H](N)Cc1c[nH]c2ccc3OCCCc3c12
CC(N)Cc1c[nH]c2ccc3OCCCc3c12
COc1cc(F)cc(OC(C2CCNCC2)c2ccccc2)c1
Fc1ccc(OC(CC2CCNCC2)c2ccc(F)cc2)cc1
C1CC(CCN1)C(Oc1ccccc1-c1ccccc1)c1ccccc1
COc1ccc(OC(C2CCCNC2)c2ccc(F)cc2)cc1
Fc1ccc(OC(C2CCNCC2)c2ccc(Cl)cc2)cc1
C1CC(CCN1)C(Oc1ccc(cc1)-c1ccccc1)c1ccccc1
Fc1ccc(cc1)N1CCC(CC1)C(=O)CCC(Oc1ccccc1F)c1ccccc1
Fc1ccc(OC(C2CCNCC2)c2ccccc2)cc1
Oc1ccc(OC(C2CCNCC2)c2ccccc2)cc1F
Cc1c(Cl)cccc1OC(C1CCNCC1)c1ccccc1
FC(F)(F)c1ccc(OC(CCN2CCN(CC2)c2nsc3ccccc23)c2ccccc2)cc1
Fc1cc(OC(C2CCNCC2)c2ccccc2)cc(c1)C#N
Oc1cc2CCN(CCC(Oc3ccccc3F)c3ccccc3)Cc2cc1O
Oc1cc(F)cc(OC(C2CCNCC2)c2ccccc2)c1
FC(F)(F)c1ccccc1OC(CCN1CCc2ccccc2C1)c1ccccc1
Fc1cccc(OC(C2CCNCC2)c2cccc(F)c2)c1
FC(F)(F)c1ccccc1OC(C1CCNCC1)c1ccccc1
Fc1cccc(c1)C(Oc1ccccc1F)C1CCNCC1
[O-][N+](=O)c1ccc(OC(C2CCNCC2)c2ccccc2)cc1
Clc1ccc(OC(CCN2CCc3ccccc3C2)c2ccccc2)cc1
Nc1ccc(OC(CCC(=O)C2CCN(CC2)c2ccc(F)cc2)c2ccccc2)cc1
Clc1ccccc1OC(C1CCNCC1)c1ccccc1
Clc1cccc(OC(C2CCNCC2)c2ccccc2)c1
Clc1ccc(OC(C2CCNCC2)c2ccccc2)cc1Cl
CN1CCC(CC1)C(Oc1ccc(F)cc1)c1ccccc1
COc1ccc(OC(C2CCNCC2)c2ccc(F)cc2)cc1
Cc1ccc(OC(CCN2CCc3cc(O)c(O)cc3C2)c2ccccc2)cc1
Oc1cc2CCN(CCC(Oc3ccccc3C(F)(F)F)c3ccccc3)Cc2cc1O
Fc1ccc(cc1)C(Oc1ccc(cc1)C(F)(F)F)C1CCCNC1
COc1cc2CCN(CCC(Oc3ccccc3F)c3ccccc3)Cc2cc1OC
Clc1ccc(cc1)C(Oc1ccccc1)C1CCNCC1
CNCC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1 |r|
Fc1cc(F)cc(OC(C2CCNCC2)c2ccccc2)c1
[O-][N+](=O)c1ccc(OC(CCN2CCN(CC2)c2n[o+][c-]3ccccc23)c2ccccc2)cc1
Fc1ccc(cc1)C(Oc1ccccc1)C1CCCNC1
C1CC(CCN1)C(Oc1ccccc1)c1ccccc1
CC(=O)N1CCC(CC1)C(Oc1ccccc1)c1ccc(F)cc1
Nc1ccc(OC(CCC(=O)C2CCN(CC2)c2ccc(F)cc2)c2ccc(F)cc2)cc1
N#Cc1cccc(OC(C2CCNCC2)c2ccccc2)c1
Fc1cccc(OC(C2CCOCC2)c2ccccc2)c1
N#Cc1ccccc1OC(C1CCNCC1)c1ccccc1
COc1ccc(OC(C2CCN(CC2)C(C)=O)c2ccc(F)cc2)cc1
Fc1ccccc1OC(CCN1CCN(CC1)c1noc2ccccc12)c1ccccc1
COc1ccc(OC(CCN2CCN(CC2)c2noc3ccccc23)c2ccccc2)cc1
Fc1ccc(cc1)C(CC1CCNCC1)Oc1ccc(cc1)C#N
Fc1cccc(OC(C2CCNCC2)c2ccccc2)c1
COc1cc2CCN(CCC(Oc3ccccc3C(F)(F)F)c3ccccc3)Cc2cc1OC
Fc1cccc(OC(C2CCCC2)c2ccccc2)c1
Oc1cc2CCN(CCC(Oc3ccc(Cl)cc3)c3ccccc3)Cc2cc1O
COc1cc2CCN(CCC(Oc3ccc(Cl)cc3)c3ccccc3)Cc2cc1OC
Fc1ccc(cc1)C(Oc1cccc2ccccc12)C1CCCNC1
Clc1cc(OC(C2CCNCC2)c2ccccc2)ccc1C#N
Fc1ccc(OC(C2CCNCC2)c2cccc(F)c2)cc1
Cc1c(F)cccc1OC(C1CCNCC1)c1ccccc1
Fc1ccccc1OC(C1CCNCC1)c1ccccc1
COc1ccc(OC(CC2CCNCC2)c2ccccc2)cc1
FC(F)(F)c1ccc(OC(C2CCNCC2)c2ccccc2)cc1
Fc1ccc(cc1)C(Oc1ccc2OCOc2c1)C1CCCNC1
CCCN(CCC)C1CCc2cccc(O)c2C1
FC(F)(F)c1cccc(OC(CCN2CCN(CC2)c2nsc3ccccc23)c2ccccc2)c1
COc1ccc(OC(CCN2CCN(CC2)c2nsc3ccccc23)c2ccccc2)cc1
Fc1ccccc1OC(CCN1CCN(CC1)c1nsc2ccccc12)c1ccccc1
Fc1ccc(cc1)C(Oc1ccc(cc1)C#N)C1CCCNC1
Cc1ccc(cc1)C(Oc1cccc(F)c1)C1CCNCC1
Cc1ccc(OC(CCN2CCc3ccccc3C2)c2ccccc2)cc1
Fc1ccc(OC(C2CCCNC2)c2ccc(F)cc2)cc1
Cc1ccc(Cl)cc1OC(C1CCNCC1)c1ccccc1
Fc1ccc(cc1)C(Oc1ccc(Cl)cc1)C1CCCNC1
[O-][N+](=O)c1ccc(OC(CCC(=O)C2CCN(CC2)c2ccc(F)cc2)c2ccc(F)cc2)cc1
Brc1ccc(OC(C2CCNCC2)c2ccccc2)cc1
Fc1ccc(OC(C2CCNCC2)c2ccc(F)cc2)cc1
FC(F)(F)c1cccc(OC(C2CCNCC2)c2ccccc2)c1
FC(F)(F)c1ccccc1OC(CCN1CCN(CC1)c1nsc2ccccc12)c1ccccc1
Fc1ccc(OC(CC2CCNCC2)c2ccccc2)cc1
COc1ccc(OC(CCC(=O)C2CCN(CC2)c2ccc(F)cc2)c2ccccc2)cc1
Oc1c(F)cccc1OC(C1CCNCC1)c1ccccc1
Fc1ccccc1OC(CCN1CCc2ccccc2C1)c1ccccc1
Fc1ccc(cc1)C(Oc1ccc(Cl)c(Cl)c1)C1CCCNC1
Cc1ccc(OC(C2CCCNC2)c2ccc(F)cc2)cc1
Brc1cccc(OC(C2CCNCC2)c2ccccc2)c1
Ic1cccc(OC(C2CCNCC2)c2ccccc2)c1
COc1cc2CCN(CCC(Oc3ccc(C)cc3)c3ccccc3)Cc2cc1OC
Ic1ccc(OC(C2CCNCC2)c2ccccc2)cc1
[O-][N+](=O)c1ccc(OC(CCC(=O)C2CCN(CC2)c2ccc(F)cc2)c2ccccc2)cc1
Cc1cccc(c1)S(=O)(=O)NCCCN1CCC(=CC1)c1c[nH]c2ccc(F)cc12 |c:18|
Cc1cccc(c1)S(=O)(=O)NCCCCN1CCC(=CC1)c1c[nH]c2ccc(F)cc12 |c:19|
Cc1cccc(c1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17|
Cc1cccc(c1)S(=O)(=O)NCCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:19|
Cc1[nH]c2ccc(Cl)cc2c1C1=CCN(CCNS(=O)(=O)c2cccc(C)c2)CC1 |t:13|
Cc1[nH]c2ccc(Cl)cc2c1C1=CCN(CCCCNS(=O)(=O)c2cccc(C)c2)CC1 |t:13|
Fc1ccc2[nH]cc(C3=CCN(CCNS(=O)(=O)c4ccc5ccccc5c4)CC3)c2c1 |t:8|
Fc1ccc2[nH]cc(C3=CCN(CCCNS(=O)(=O)c4ccc5ccccc5c4)CC3)c2c1 |t:8|
Clc1ccc2[nH]cc(C3=CCN(CCNS(=O)(=O)c4ccc5ccccc5c4)CC3)c2c1 |t:8|
Clc1ccc2[nH]cc(C3=CCN(CCCNS(=O)(=O)c4ccc5ccccc5c4)CC3)c2c1 |t:8|
Cc1[nH]c2ccc(Cl)cc2c1C1=CCN(CCNS(=O)(=O)c2ccc3ccccc3c2)CC1 |t:13|
Cc1[nH]c2ccc(Cl)cc2c1C1=CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1 |t:13|
Cc1[nH]c2ccc(Cl)cc2c1C1=CCN(CCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1 |t:13|
Clc1ccc2[nH]cc(C3=CCN(CCCNS(=O)(=O)c4cccc5ccccc45)CC3)c2c1 |t:8|
Clc1ccc2[nH]cc(C3=CCN(CCCCNS(=O)(=O)c4cccc5ccccc45)CC3)c2c1 |t:8|
Fc1cccc(c1)S(=O)(=O)NCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:18|
Fc1cccc(c1)S(=O)(=O)NCCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:19|
Clc1cccc(c1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17|
Clc1cccc(c1)S(=O)(=O)NCCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:19|
Oc1cccc(c1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17|
Oc1cccc(c1)S(=O)(=O)NCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:18|
Fc1ccc(cc1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17|
Fc1ccc(cc1)S(=O)(=O)NCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:18|
Clc1ccc(cc1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17|
Clc1ccc(cc1)S(=O)(=O)NCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:18|
Clc1ccc(cc1)S(=O)(=O)NCCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:19|
CCC(=O)O[C@@H]1CN(Cc2ccc(F)cc2)CC[C@H]1CCOC(c1ccccc1)c1ccccc1
OC1CN(Cc2ccc(F)cc2)CC[C@@H]1CCOC(c1ccccc1)c1ccccc1
O[C@H]1CN(Cc2ccc(F)cc2)CC[C@H]1CCOC(c1ccccc1)c1ccccc1
O[C@@H]1CN(Cc2ccc(F)cc2)CC[C@H]1CCOC(c1ccccc1)c1ccccc1
Fc1ccc(CN2CC[C@@H](CCOC(c3ccccc3)c3ccccc3)C(=O)C2)cc1
Fc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)=CC2)cc1 |c:27|
C(N1CC2CCC(C1)C2c1ccccc1)c1ccccc1 |TLB:0:1:8:4.5,THB:9:8:1.7.2:4.5|
OC1(C2CCC1CN(Cc1ccccc1)C2)c1ccc(Cl)cc1 |TLB:16:1:7.15.6:3.4,THB:8:7:1:3.4,0:1:7.15.6:3.4|
C(N1CC2CCC(C2)C1)c1ccccc1 |TLB:0:1:7:4.5|
CN1CC2CCC(C1)C2c1ccccc1 |TLB:0:1:8:4.5,THB:9:8:1.7.2:4.5|
CN1CC2CCC(C1)C2c1ccc(Cl)cc1 |TLB:0:1:8:4.5,THB:9:8:1.2.7:4.5|
Clc1ccc(cc1)C1C2CCC1CN(Cc1ccccc1)C2 |THB:4:7:13.21.12:9.10,14:13:7:9.10|
OC1C2CCC1CN(Cc1ccccc1)C2 |THB:8:7:1:3.4,0:1:7.6.15:3.4|
CN1CC2CCC(C1)C2(O)c1ccccc1 |TLB:10:8:1.7.2:4.5,0:1:8:4.5,THB:9:8:1.7.2:4.5|
OC1(C2CCC1CNC2)c1ccccc1 |TLB:9:1:3.4:7.8.6,THB:0:1:3.4:7.8.6|
Clc1ccc(cc1)C1C2CCC1CNC2 |THB:4:7:9.10:13.12.14|
C(N1CC2CCC(C1)C2OC(c1ccccc1)c1ccccc1)c1ccccc1 |TLB:0:1:8:4.5,THB:9:8:1.7.2:4.5|
C1CC2CNCC1C2c1ccccc1 |THB:8:7:0.1:4.3.5|
OC1(C2CCC1CN(Cc1ccccc1)C2)c1ccccc1 |TLB:16:1:7.6.15:3.4,THB:8:7:1:3.4,0:1:7.6.15:3.4|
BrC1C2CCC1CN(Cc1ccccc1)C2 |TLB:0:1:7.6.15:3.4,THB:8:7:1:3.4|
Cc1cccc(c1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(F)cc12 |c:17|
Cc1cccc(c1)S(=O)(=O)NCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:18|
Cc1[nH]c2ccc(Cl)cc2c1C1=CCN(CCCNS(=O)(=O)c2cccc(C)c2)CC1 |t:13|
Fc1ccc2[nH]cc(C3=CCN(CCCCNS(=O)(=O)c4ccc5ccccc5c4)CC3)c2c1 |t:8|
Clc1ccc2[nH]cc(C3=CCN(CCCCNS(=O)(=O)c4ccc5ccccc5c4)CC3)c2c1 |t:8|
Clc1ccc2[nH]cc(C3=CCN(CCNS(=O)(=O)c4cccc5ccccc45)CC3)c2c1 |t:8|
Fc1cccc(c1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17|
Clc1cccc(c1)S(=O)(=O)NCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:18|
Oc1cccc(c1)S(=O)(=O)NCCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:19|
Fc1ccc(cc1)S(=O)(=O)NCCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:19|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCOCCN1CCOCC1)c1ccc(F)cc1 |THB:8:9:16:12.13|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCC(=O)Nc1ccccc1)c1ccc(F)cc1 |TLB:8:9:12.13:16,17:16:12.13:15.10.9|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCNCc1ccccc1)c1ccc(F)cc1 |THB:8:9:16:12.13|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCOCc1cccs1)c1ccc(F)cc1 |THB:8:9:16:12.13|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCNC(=O)c1cccnc1)c1ccc(F)cc1 |THB:8:9:16:12.13|
CN(C)CCCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:15:13:7:9.10|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCNC(=O)c1ccccc1)c1ccc(F)cc1 |THB:8:9:16:12.13|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCOCc1ccccc1)c1ccc(F)cc1 |THB:8:9:16:12.13|
NCCCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:13:11:5:7.8|
Clc1ccc(cc1)C(OC1CC2CCC(C1)N2CCC(=O)Nc1ccccc1)c1ccc(Cl)cc1 |THB:8:9:16:12.13|
OCCOCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:14:12:6:8.9|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCCCc1ccccc1)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCCOc1ccccc1)c1ccc(F)cc1 |THB:8:9:16:12.13|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)c1cc(no1)C(C)(C)C |TLB:16:6:1:4.3,9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)c1cc(no1)C(C)(C)C |TLB:16:6:1:4.3,9:7:1:4.3|
COc1ccc(cc1)-c1cc(on1)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |THB:10:13:27:15.16,20:19:27:15.16|
COc1ccc(cc1)-c1cc(on1)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:10:13:27:15.16,20:19:27:15.16|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)c1cc(no1)-c1ccccc1 |TLB:16:6:1:4.3,9:7:1:4.3|
CCc1cc(on1)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:4:7:21:9.10,14:13:21:9.10|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)c1cc(no1)-c1ccc(F)cc1 |TLB:16:6:1:4.3,9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)c1ccno1 |TLB:16:6:1:4.3,9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)c1ccno1 |TLB:16:6:1:4.3,9:7:1:4.3|
CC(C)c1cc(on1)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |THB:5:8:22:10.11,15:14:22:10.11|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)c1cc(no1)-c1ccc(C)cc1 |TLB:16:6:1:4.3,9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)c1cc(C)no1 |TLB:16:6:1:4.3,9:7:1:4.3|
CC(C)c1cc(on1)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:5:8:22:10.11,15:14:22:10.11|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)c1cc(no1)-c1ccc(Cl)cc1 |TLB:16:6:1:4.3,9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)c1cc(C)no1 |TLB:16:6:1:4.3,9:7:1:4.3|
CCc1cc(on1)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |THB:4:7:21:9.10,14:13:21:9.10|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)c1cc(no1)-c1ccc(F)cc1 |TLB:16:6:1:4.3,9:7:1:4.3|
CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccccc1)C(C2)c1ccc(Cl)cc1 |TLB:0:1:6.22.23:4.3,7:6:1:4.3|
CN1C2CCC1C(CCCOC(c1ccccc1)c1ccccc1)C(C2)c1ccccc1 |TLB:7:6:1:4.3|
CN1C2CCC1[C@@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C(C2)c1ccc(C)cc1 |TLB:0:1:6.24.25:4.3,7:6:1:4.3|
CN1C2CCC1[C@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C(C2)c1ccc(Cl)cc1 |TLB:0:1:6.24.25:4.3,7:6:1:4.3|
CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccccc1)C(C2)c1ccc(C)cc1 |TLB:0:1:6.22.23:4.3,7:6:1:4.3|
CN1C2CCC1[C@H](COC(c1ccccc1)c1ccc(Cl)cc1)C(C2)c1ccc(Cl)cc1 |TLB:0:1:6.23.24:4.3,7:6:1:4.3|
CN1C2CCC1C(CCCOC(c1ccccc1)c1ccc(Cl)cc1)C(C2)c1ccccc1 |TLB:7:6:1:4.3|
CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccc(Cl)cc1)C(C2)c1ccc(C)cc1 |TLB:0:1:6.23.24:4.3,7:6:1:4.3|
CN1CC[C@@H]([C@@H](COC(=O)Nc2ccccc2)C1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@@H](COCC=C)C1)c1ccc(Cl)cc1
CN(C)C(=O)C1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)C(=O)OC(C)(C)C)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)C(=O)OCCCCCc1ccccc1)c1ccc(Cl)cc1
COC(=O)CC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CNC(=O)C[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CN1CC[C@@H]([C@@H](CC(=O)NCc2ccccc2)C1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@@H](CCC(O)=O)C1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@@H](COC(=O)c2ccccc2)C1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@@H](CCC(=O)Nc2ccccc2)C1)c1ccc(Cl)cc1
CN(C)C(=O)C[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CN1CC[C@@H]([C@@H](COC(=O)NC23CC4CC(CC(C4)C2)C3)C1)c1ccc(Cl)cc1 |TLB:20:11:18:15.14.16,THB:16:15:12:17.19.18,16:17:12:15.20.14,20:15:11.19.12:18|
CN1CC[C@@H]([C@@H](CC(=O)OCCCc2ccccc2)C1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@@H](Cc2noc(n2)-c2ccc3OCOc3c2)C1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@@H](CCCF)C1)c1ccc(Cl)cc1
CN(Cc1ccccc1)C(=O)C[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CCC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CN1CC[C@@H]([C@@H](CCC(=O)NC23CC4CC(CC(C4)C2)C3)C1)c1ccc(Cl)cc1 |TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,12:11:13.14.18:16,12:13:11.19.20:16|
CN1CC[C@@H](C(C1)C(=O)Oc1ccccc1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@@H](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1)c1ccc(Cl)cc1 |THB:15:14:11:16.18.17,15:16:11:14.19.13,18:10:13:16.17.15,18:16:10.19.11:13|
CN1CC[C@@H]([C@@H](CC(O)=O)C1)c1ccc(Cl)cc1
COC(=O)\C=C\[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CN1CC[C@@H]([C@@H](CCCO)C1)c1ccc(Cl)cc1
CCNC(=O)OC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)C(O)=O)c1ccc(Cl)cc1
CN1CC[C@@H]([C@@H](COC(C)=O)C1)c1ccc(Cl)cc1
CCOC(=O)C[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
COC(=O)C1=C(CC2CCC1O2)c1ccc2ccccc2c1 |t:4,THB:12:5:11:9.8,2:4:11:9.8|
COC(=O)C1=C(CC2CCC1O2)c1ccc(Cl)cc1 |t:4,THB:2:4:11:9.8,12:5:11:9.8|
COC(=O)C1=C(CC2CCC1O2)c1ccccc1 |t:4,THB:2:4:11:9.8,12:5:11:9.8|
COC(=O)C1=C(CC2CCC1O2)c1ccc(F)cc1 |t:4,THB:2:4:11:9.8,12:5:11:9.8|
COC(=O)C1=C(CC2CCC1O2)c1ccc(Br)cc1 |t:4,THB:2:4:11:9.8,12:5:11:9.8|
COC(=O)C1=C(CC2CCC1O2)c1ccc(I)cc1 |t:4,THB:2:4:11:9.8,12:5:11:9.8|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccc(I)s1)N2C |TLB:24:23:4.10.9:6.7,THB:2:4:23:6.7,11:10:23:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccc(Cl)s1)N2C |TLB:24:23:4.10.9:6.7,THB:2:4:23:6.7,11:10:23:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccc(N)s1)N2C |TLB:24:23:4.10.9:6.7,THB:2:4:23:6.7,11:10:23:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccc(Br)s1)N2C |TLB:24:23:4.10.9:6.7,THB:2:4:23:6.7,11:10:23:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cscc1Br)N2C |TLB:24:23:4.10.9:6.7,THB:2:4:23:6.7,11:10:23:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccs1)N2C |TLB:23:22:4.10.9:6.7,THB:2:4:22:6.7,11:10:22:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccsc1)N2 |THB:2:4:22:6.7,11:10:22:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cc(c(s1)[N+]([O-])=O)[N+]([O-])=O)N2C |TLB:29:28:4.10.9:6.7,THB:2:4:28:6.7,11:10:28:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccsc1)N2C |TLB:23:22:4.10.9:6.7,THB:2:4:22:6.7,11:10:22:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccs1)N2 |THB:2:4:22:6.7,11:10:22:6.7|
C1CC(C(c2ccccc2)c2ccccc2)N2CCN(C1C2)c1ccc2ccccc2c1 |THB:22:19:21:2.1.0,3:2:21:19.18.17|
COc1ccc(cc1)N1CCN2CC1CCC2C(c1ccccc1)c1ccccc1 |TLB:5:8:12:16.15.14,THB:17:16:12:8.9.10|
Fc1ccc(cc1)N1CCN2CC1CCC2C(c1ccccc1)c1ccccc1 |TLB:4:7:11:15.14.13,THB:16:15:11:7.8.9|
N#Cc1ccc(cc1)N1CCN2CC1CCC2C(c1ccccc1)c1ccccc1 |TLB:5:8:12:16.15.14,THB:17:16:12:8.9.10|
Fc1ccc(CNC2CCC(C(c3ccccc3)c3ccccc3)N(Cc3ccc(F)cc3)C2)cc1
Oc1ccc(cc1)N1CCN2CC1CCC2C(c1ccccc1)c1ccccc1 |TLB:4:7:11:15.14.13,THB:16:15:11:7.8.9|
CN1CCN2CC1CCC2C(c1ccccc1)c1ccccc1 |TLB:0:1:5:9.8.7,THB:10:9:5:1.3.2|
COc1ccc(CNC2CCC(NC2)C(c2ccccc2)c2ccccc2)cc1
Clc1ccc(cc1)S(=O)(=O)Nc1ccc(CN2CCN3CC2CCC3C(c2ccccc2)c2ccccc2)cc1 |TLB:15:16:20:24.23.22,THB:25:24:20:16.18.17|
Clc1ccc(cc1Cl)N1CCN2CC1CCC2C(c1ccccc1)c1ccccc1 |TLB:4:8:12:16.15.14,THB:17:16:12:8.9.10|
CCOc1ccc(cc1)N1CCN2CC1CCC2C(c1ccccc1)c1ccccc1 |TLB:6:9:13:17.16.15,THB:18:17:13:9.10.11|
CN(Cc1ccc(F)cc1)C1CCC(C(c2ccccc2)c2ccccc2)N(C)C1
N#Cc1ccc(CNC2CCC(NC2)C(c2ccccc2)c2ccccc2)cc1
C1CC(C(c2ccccc2)c2ccccc2)N2CCN(C1C2)c1cccc2ccccc12 |THB:22:19:21:2.1.0,3:2:21:19.18.17|
Fc1ccc(CCN2CCN3CC2CCC3C(c2ccccc2)c2ccccc2)cc1 |TLB:6:7:11:15.14.13,THB:16:15:11:7.9.8|
Nc1ccc(cc1)N1CCN2CC1CCC2C(c1ccccc1)c1ccccc1 |TLB:4:7:11:15.14.13,THB:16:15:11:7.8.9|
CN1CCC(C(CS(=O)CCOC(C)=O)C1)c1ccc(Cl)cc1
CN(C)C(=O)CSCC1CN(C)CCC1c1ccc(Cl)cc1
CN1CCC(C(CS(=O)CCO)C1)c1ccc(Cl)cc1
CN1CCC(C(CSCCOC(C)=O)C1)c1ccc(Cl)cc1
COC(=O)CS(=O)CC1CN(C)CCC1c1ccc(Cl)cc1
CN1CCC(C(CS(=O)Cc2nc(C)no2)C1)c1ccc(Cl)cc1
CN1CCC(C(CSCC(N)=O)C1)c1ccc(Cl)cc1
NC(=O)CS(=O)CC1CNCCC1c1ccc(Cl)cc1
CN1CCC(C(CS(=O)CC(=O)N2CCCCC2)C1)c1ccc(Cl)cc1
CC(C)NC(=O)CSCC1CN(C)CCC1c1ccc(Cl)cc1
COCCSCC1CN(C)CCC1c1ccc(Cl)cc1
CN1CCC(C(CI)C1)c1ccc(Cl)cc1
CN1CCC(C(CO)C1)c1ccc(Cl)cc1
CN(C)C(=O)CS(=O)CC1CN(C)CCC1c1ccc(Cl)cc1
CN1CCC(C(CSCCO)C1)c1ccc(Cl)cc1
CN1CCC(C(CS(=O)CC(N)=O)C1)c1ccc(Cl)cc1
NC(=O)CSCC1CNCCC1c1ccc(Cl)cc1
CN1CCC(C(CS(=O)CCOC(=O)c2ccccc2)C1)c1ccc(Cl)cc1
CN1CCC(C(CSCC(=O)N2CCCCC2)C1)c1ccc(Cl)cc1
CN1CCC(C(CSCC(=O)NO)C1)c1ccc(Cl)cc1
CN1CCC(C(CSCc2nc(C)no2)C1)c1ccc(Cl)cc1
CC(C)NC(=O)CS(=O)CC1CN(C)CCC1c1ccc(Cl)cc1
CN1CCC(C(CS(=O)CC(=O)NO)C1)c1ccc(Cl)cc1
COC(=O)CSCC1CNCCC1c1ccc(Cl)cc1
COC(=O)CSCC1CN(C)CCC1c1ccc(Cl)cc1
CNC(=O)CS(=O)CC1CN(C)CCC1c1ccc(Cl)cc1
CN1CCC(C(CSCCOC(=O)c2ccccc2)C1)c1ccc(Cl)cc1
CNC(=O)CSCC1CN(C)CCC1c1ccc(Cl)cc1
COCCS(=O)CC1CN(C)CCC1c1ccc(Cl)cc1
COC(=O)C1C2CCC(CC1c1ccc(C)c(F)c1)N2 |THB:2:4:19:6.7|
COC(=O)C1C2CCC(CC1c1ccc(F)c(C)c1)N2 |THB:2:4:19:6.7|
COC(=O)C1C2CCC(CC1c1cc(F)cc(F)c1)N2 |THB:2:4:19:6.7|
COC(=O)C1C2CCC(CC1c1ccc(F)c(C)c1)N2C |TLB:20:19:4.10.9:6.7,THB:2:4:19:6.7|
COC(=O)C1C2CCC(CC1c1cccc(F)c1)N2 |THB:2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(F)c(F)c1)N2 |THB:2:4:19:6.7|
COC(=O)C1C2CCC(CC1c1ccc(C)c(F)c1)N2C |TLB:20:19:4.10.9:6.7,THB:2:4:19:6.7|
CCOC(=O)C(C1CCCCN1)c1ccccc1
CO[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:1:2:9:7.5.6,11:6:9:3.2|
CN1C2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C1CCC2 |TLB:5:4:1:22.24.23|
COCO[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccccc1)c1ccc(Cl)cc1 |TLB:13:8:11:5.4,3:4:11:9.7.8|
CN1C2C[C@H](O)C1C[C@H](C2)OC(c1ccccc1)c1ccccc1 |THB:10:8:1:3.4,5:4:1:7.9.8|
CN1C2C[C@H](O)C1C[C@H](C2)OC(c1ccccc1)c1ccc(Cl)cc1 |THB:10:8:1:3.4,5:4:1:7.9.8|
COCO[C@@H]1CC2C[C@@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:3:4:11:9.7.8,13:8:11:5.4|
COCO[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccccc1)c1ccccc1 |TLB:13:8:11:5.4,3:4:11:9.7.8|
CN1C2C[C@@H](O)C1C[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:5:4:1:7.9.8,10:8:1:3.4|
CN1C2C[C@@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C1CCC2 |THB:5:4:1:22.24.23|
COCO[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:3:4:11:9.7.8,13:8:11:5.4|
CO[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccccc1)c1ccc(Cl)cc1 |TLB:1:2:9:7.5.6,11:6:9:3.2|
CN1C2C[C@H](O)C1C[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:5:4:1:7.9.8,10:8:1:3.4|
CO[C@@H]1CC2C[C@@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:1:2:9:7.5.6,11:6:9:3.2|
CO[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccccc1)c1ccccc1 |TLB:11:6:9:3.2,1:2:9:7.5.6|
CN(C)C[C@H]1C[C@@H]1c1c[nH]c2cccc(C#N)c12
CN(C)C[C@H]1C[C@@H]1c1c[nH]c2cc(F)ccc12
CN(C)C[C@@H]1C[C@@H]1c1c[nH]c2ccc(F)cc12
CN(C)C[C@@H]1C[C@H]1c1c[nH]c2ccc(F)cc12
CN(C)C[C@@H]1C[C@H]1c1c[nH]c2ccc(cc12)C#N
CN(C)C[C@H]1C[C@H]1c1c[nH]c2ccc(cc12)C#N
CN(C)C[C@H]1C[C@H]1c1c[nH]c2ccc(F)cc12
CN(C)C[C@H]1C[C@@H]1c1c[nH]c2cc(ccc12)C#N
CN(C)C[C@H]1C[C@@H]1c1c[nH]c2c(cccc12)C#N
CCn1cc([C@H]2C[C@@H]2CN(C)C)c2cc(ccc12)C#N
CN(C)C[C@@H]1C[C@@H]1c1c[nH]c2ccc(cc12)C#N
CN(C)C[C@H]1C[C@@H]1c1cn(C)c2ccc(cc12)C#N
CN(C)C[C@H]1C[C@@H]1c1c[nH]c2c(F)cccc12
CN(C)C[C@H]1C[C@@H]1c1c[nH]c2cccc(F)c12
CN(C)C[C@H]1C[C@@H]1c1c[nH]c2ccc(F)cc12
CN(C)CCCc1c[nH]c2ccc(F)cc12
CN(C)CC1C2CCC(CC2)[C@@H]1c1cccc(Cl)c1 |wU:11.13,TLB:3:4:6.7:10.9,THB:12:11:6.7:10.9,(3.57,-5.83,;2.24,-5.06,;.91,-5.8,;2.26,-3.52,;2.96,-2.15,;5,-1.33,;6.69,-1.86,;6.45,-.35,;4.54,.11,;4.65,1.62,;5.22,.88,;2.61,-.71,;1.26,.06,;-.06,-.71,;-1.39,.06,;-1.39,1.61,;-.06,2.37,;-.05,3.91,;1.26,1.61,)|
CN(C)C(=O)Oc1ccc2[C@@H](CCOc3ccc(cc3)[N+]([O-])=O)N(C)CC=Cc2c1 |c:27|
C[C@@H]1CN(CCN1CCC1OCCc2c(Cl)c(sc12)C(N)=O)c1cccc2cc(F)ccc12
CCN(CC)C(=O)[C@]1(CC1CNCC(O)COc1cccc2[nH]ccc12)c1ccccc1
CN[C@@H](CCOc1ccc(cc1)[N+]([O-])=O)c1ccc(OC(=O)N(C)C)cc1
COc1cccc2C(CN(C)CCc3cccc(F)c3)CCCc12
CN1C2CCC1CC(C2)NC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:9:7:3.4:1,0:1:3.4:6.8.7|
CN(C(c1ccc(F)cc1)c1ccc(F)cc1)C1CC2CCC(C1)N2C |TLB:1:17:20.21:24,25:24:20.21:23.18.17|
Fc1ccc(cc1)C(NC1CC2CCC(C1)N2)c1ccc(F)cc1 |TLB:8:9:12.13:16|
CN1C2CCC1CC(C2)NC(c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 |TLB:0:1:3.4:6.8.7,THB:9:7:3.4:1|
CN1C2CCC1CC(C2)NC(c1ccccc1)c1ccc(Cl)cc1 |TLB:0:1:3.4:6.8.7,THB:9:7:3.4:1|
Fc1ccc(cc1)C(NC1CC2CCC(C1)N2CCCCc1ccccc1)c1ccc(F)cc1 |TLB:8:9:12.13:16,17:16:12.13:15.10.9|
Fc1ccc(cc1)C(NC1CC2CCC(C1)N2CC=C)c1ccc(F)cc1 |TLB:8:9:12.13:16,17:16:12.13:15.10.9|
Fc1ccc(cc1)C(NC1CC2CCC(C1)N2CCC(=O)Nc1ccccc1)c1ccc(F)cc1 |TLB:8:9:12.13:16,17:16:12.13:15.10.9|
CN1C2CCC1CC(C2)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |TLB:0:1:3.4:6.8.7,THB:9:7:3.4:1|
CCCCN1C2CCC1CC(C2)NC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:3:4:6.7:9.11.10,THB:12:10:6.7:4|
Fc1ccc(cc1)C(NC1CC2CCC(C1)N2CCc1c[nH]c2ccccc12)c1ccc(F)cc1 |TLB:8:9:12.13:16|
NCCN1C2CCC1CC(C2)NC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:2:3:5.6:8.10.9,THB:11:9:5.6:3|
COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C
CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1 |r|
CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1
CCCC(N1CCCC1)C(=O)c1ccc(O)cc1
CCCC(N1CCCC1)C(=O)c1ccc(C)cc1
CCCC(N1CCCC1)C(=O)c1cccc(C)c1
CCC[C@H](N1CCCC1)C(=O)c1ccc(C)cc1
CCCC(CN1CCCC1)C(=O)c1ccc(C)cc1
CCCC(N1CCCC1)C(=O)c1ccccc1C
CCCC(N1CCCC1)C(=O)c1ccc(cc1)[N+]([O-])=O
CCCC(N1CCCCC1)C(=O)c1ccc(Cl)c(Cl)c1
CCCC(N1CCCC1)C(=O)c1cccc(I)c1
Clc1ccc(cc1Cl)C(=O)C(CC=C)N1CCCC1
CC(C)CC(N1CCCC1)C(=O)c1ccc(C)cc1
CCCC(N1CCCC1)C(=O)c1ccc(OC)cc1
CCCC(N1CCCC1)C(=O)c1ccc(I)cc1
CCCC(N1CCCC1)C(=O)c1ccc(Br)cc1
CCC(CC(=O)c1ccc(Cl)c(Cl)c1)N1CCCC1
CCCC(N1CCCC1)C(=O)c1ccc(cc1)-c1ccco1
CCCC(C(O)c1ccc(C)cc1)N1CCCC1
CCCCNC(CCC)C(=O)c1ccc(Cl)c(Cl)c1
CCCC(N1CCCC1)C(=O)c1ccc(cc1)C#N
CCCC(N1CCCC1)C(=O)c1ccc(cc1)-c1cccs1
CCCC(N1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1
CCCC(N1CCCC1)C(=O)c1ccc(CO)cc1
CCC(N1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1
CCCC(N1CCCC1)C(=O)c1ccc(cc1)-c1cccn1C
CCCC(N1CCCC1)C(=O)c1ccc(cc1)C(F)(F)F
CCC[C@@H](N1CCCC1)C(=O)c1ccc(C)cc1
CCCC(CN1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1
CCC(CC(=O)c1ccc(C)cc1)N1CCCC1
CCCC(N1CCCC1)C(=O)c1ccccc1
CCCC(N1CCCC1)C(=O)c1ccc2ccccc2c1
CCCC(N1CCCC1)C(=O)c1ccc(OC)c(OC)c1
CCCC(N1CCCC1)C(=O)c1ccc(O)c(O)c1
CCCC(N1CCCC1)C(=O)c1ccc(cc1)C#CC
CCCC(N1CCCC1)C(=O)c1ccc(cc1)C(=O)OC
CCCC(N1CCCC1)C(=O)c1ccc(NC(C)=O)cc1
Cc1ccc(cc1)C(=O)C(CC=C)N1CCCC1
CCCC(N1CCCC1)C(=O)c1ccc(F)cc1
Clc1ccccc1-c1nnnn1CCCN1CCC(Cc2ccccc2)CC1
CC(=O)c1cccc(c1)-c1nnnn1CCN1CCC(Cc2ccccc2)CC1
C(Cn1nnnc1-c1cccc2ccccc12)N1CCC(Cc2ccccc2)CC1
C(CN1CCC(Cc2ccccc2)CC1)Cn1nnnc1-c1ccccc1
FC(F)(F)c1cccc(c1)-c1nnnn1CCCN1CCC(Cc2ccccc2)CC1
[O-][N+](=O)c1ccc(cc1)-c1nnnn1CCCN1CCC(Cc2ccccc2)CC1
COc1ccc(cc1)-c1nnnn1CCCN1CCC(Cc2ccccc2)CC1
Clc1cccc(c1)-c1nnnn1CCCN1CCC(Cc2ccccc2)CC1
Brc1cccc(c1)-c1nnnn1CCCN1CCC(Cc2ccccc2)CC1
Clc1cccc(-c2nnnn2CCCN2CCC(Cc3ccccc3)CC2)c1Cl
C(CN1CCC(Cc2ccccc2)CC1)Cn1nnnc1-c1cccc2ccccc12
Clc1ccc(cc1)-c1nnnn1CCCN1CCC(Cc2ccccc2)CC1
Brc1ccccc1-c1nnnn1CCCN1CCC(Cc2ccccc2)CC1
[O-][N+](=O)c1ccc(cc1)-c1nnnn1CCN1CCC(Cc2ccccc2)CC1
CC(=O)c1cccc(c1)-c1nnnn1CCCN1CCC(Cc2ccccc2)CC1
Fc1ccc(cc1)-c1nnnn1CCCN1CCC(Cc2ccccc2)CC1
CN1C2CCC1C1COC(=O)CCCCCCCCC(=O)N(C)c3ccc(cc3)C1C2 |TLB:7:6:1:3.4,THB:26:29:1:3.4|
CN1C2CCC1C1COC(=O)CCCCCCCCC(=O)Nc3ccc(cc3)C1C2 |TLB:7:6:1:3.4,THB:25:28:1:3.4|
CN1C2CCC1C1COC(=O)Cc3ccc(CC(=O)Nc4ccc(cc4)C1C2)cc3 |TLB:7:6:1:3.4,THB:23:26:1:3.4|
CN1C2CCC1C1COC(=O)CCCCCCC(=O)Nc3ccc(cc3)C1C2 |TLB:7:6:1:3.4,THB:23:26:1:3.4|
CN1C2CCC1C1COC(=O)CCCCCCCCCCCN(C)c3ccc(cc3)C1C2 |TLB:7:6:1:3.4,THB:27:30:1:3.4|
CN1C2CCC1C1COC(=O)CCC3(CCC(=O)Nc4ccc(cc4)C1C2)c1ccccc1-c1ccccc31 |TLB:7:6:1:3.4,THB:22:25:1:3.4|
CN1C2CCC1C1COC(=O)CCC(=O)CCC(=O)Nc3ccc(cc3)C1C2 |TLB:7:6:1:3.4,THB:23:26:1:3.4|
CN1C2CCC1C1COC(=O)CCCCCCCC(=O)Nc3ccc(cc3)C1C2 |TLB:7:6:1:3.4,THB:24:27:1:3.4|
CN1C2CCC1C1COC(=O)CCCCCC(=O)Nc3ccc(cc3)C1C2 |TLB:7:6:1:3.4,THB:22:25:1:3.4|
CN1C2CCC1C1COC(=O)CCCCCCCCCN(C)c3ccc(cc3)C1C2 |TLB:7:6:1:3.4,THB:25:28:1:3.4|
CN1C2CCC1C1COC(=O)CCCCCCCCCCC(=O)Nc3ccc(cc3)C1C2 |TLB:7:6:1:3.4,THB:27:30:1:3.4|
CN1C2CCC1C1COC(=O)CCSCCC(=O)Nc3ccc(cc3)C1C2 |TLB:7:6:1:3.4,THB:22:25:1:3.4|
CN1C2CCC1C1COC(=O)CCCCC(=O)Nc3ccc(cc3)C1C2 |TLB:7:6:1:3.4,THB:21:24:1:3.4|
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(cc1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(=O)N1CCCC1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)c1ccc(cc1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)OCc1ccccc1)C(=O)NCC(O)=O
C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(cc1)-c1ccc(C[C@H](N)C(O)=O)cc1)[C@@H](C)O)C(O)=O
CCN(CCCc1c[nH]c2ccc(F)cc12)[C@@H]1COc2c(F)ccc(C(N)=O)c2C1
CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
CCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(C(N)=O)c2C1
NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(C(N)=O)c2C1 |r|
CCCN(CCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
NC(=O)c1ccc(F)c2OCC(Cc12)N(CCc1c[nH]c2ccc(F)cc12)CC1CC1
NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)CC1CC1
CN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(C(N)=O)c2C1
CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@@H]1COc2c(F)ccc(C(N)=O)c2C1 |r|
COc1cccc2OCC(Cc12)N(C)CCCc1c[nH]c2ccc(F)cc12
NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCCc1c[nH]c2ccc(F)cc12)C1CCC1
NC(=O)c1ccc(F)c2OC[C@@H](Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1 |r|
NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCCc1c[nH]c2ccc(F)cc12)CC1CC1
CCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2cccc(OC)c2C1
CCN(CCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
COc1cccc2OC[C@@H](Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1 |r|
COc1cccc2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
NC(=O)c1ccc(F)c2OC[C@H](Cc12)N(CCCc1c[nH]c2ccc(F)cc12)CC1CC1
CCCN(CCCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
NC(=O)c1ccc(F)c2OC[C@@H](Cc12)N(CCCc1c[nH]c2ccc(F)cc12)CC1CC1
CCN(CCCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
NC(=O)c1ccc(F)c2OC[C@@H](Cc12)NCCCc1c[nH]c2ccc(F)cc12
NC(=O)c1ccc(F)c2OC[C@H](Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1 |r|
COc1cccc2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)CC1CC1
CCOc1ccccc1CC(N1CCNCC1)c1ccc(F)cc1
Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Fc1ccccc1C(Cc1ccccc1Cl)N1CCNCC1
CCOc1ccccc1C[C@H](N1CCNCC1)c1ccccc1
Clc1ccccc1CC(N1CCNCC1)c1nccs1
Clc1ccc(CC(N2CCNCC2)c2ccccc2)c(Cl)c1
Fc1cccc(c1)C(Cc1ccccc1Cl)N1CCNCC1
C(C(N1CCNCC1)c1ccccc1)c1ccccn1
Clc1cccc(Cl)c1CC(N1CCNCC1)c1ccccc1
Fc1ccc(cc1)C(Cc1ccccc1Cl)N1CCNCC1
Clc1ccccc1CC(N1CCCNCC1)c1ccccc1
C(C(N1CCNCC1)c1ccccc1)c1cccc2ccccc12
CCOc1ccccc1CC(N1CCNCC1)c1nccs1
CCOc1ccccc1CC(N1CCNCC1)c1cncs1
Clc1ccccc1CC(N1CCNCC1)c1cncs1
CCOc1ccccc1C[C@@H](N1CCNCC1)c1ccccc1
C(Cc1ccccc1)C(Cc1ccccc1)N1CCNCC1
CCOc1ccccc1CC(N1CCNCC1)c1ccccc1
C(C(N1CCNCC1)c1ccccc1)c1ccncc1
CCOc1ccccc1CC(N1CCNCC1)c1cccnc1
Clc1cccc(CC(N2CCNCC2)c2ccccc2)c1Cl
C(Cc1ccccc1)C(N1CCNCC1)c1ccccc1
Clc1ccc(Cl)c(CC(N2CCNCC2)c2ccccc2)c1
CCOc1ccccc1CC(N1CCNCC1)c1ccccc1F
Clc1ccccc1CC(N1CCNCC1)c1cccnc1
CCOc1ccccc1CC(N1CCNCC1)c1cccc(F)c1
C(C(N1CCNCC1)c1ccccc1)c1ccc2ccccc2c1
CCOc1ccccc1CC(N1CCCNCC1)c1ccccc1
Clc1cccc(CC(N2CCNCC2)c2ccccc2)c1
COc1cccc(CC(N2CCNCC2)c2ccccc2)c1
FC(F)(F)COc1ccccc1CC(N1CCNCC1)c1ccccc1
CCCOc1ccccc1CC(N1CCNCC1)c1ccccc1
FC(F)(F)c1ccccc1CC(N1CCNCC1)c1ccccc1
Oc1cccc(CC(N2CCNCC2)c2ccccc2)c1
Brc1ccccc1CC(N1CCNCC1)c1ccccc1
FC(F)(F)c1cccc(CC(N2CCNCC2)c2ccccc2)c1
NC(=O)c1cccc(CC(N2CCNCC2)c2ccccc2)c1
Cc1ccccc1CC(N1CCNCC1)c1ccccc1
C(C(N1CCNCC1)c1ccccc1)c1ccccc1
N#Cc1ccccc1CC(N1CCNCC1)c1ccccc1
CS(=O)(=O)c1ccccc1CC(N1CCNCC1)c1ccccc1
NC(=O)c1ccccc1CC(N1CCNCC1)c1ccccc1
N#Cc1cccc(CC(N2CCNCC2)c2ccccc2)c1
CCc1ccccc1CC(N1CCNCC1)c1ccccc1
FC(F)(F)Oc1ccccc1CC(N1CCNCC1)c1ccccc1
COc1ccccc1CC(N1CCNCC1)c1ccccc1
CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N2C |TLB:12:11:28:8.7,THB:3:5:28:8.7|
COC(=O)\C=C\[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:13:12:29:9.8,THB:5:6:29:9.8|
CN1C2CCC1[C@@H](COC(=O)CCCc1ccc(cc1)[N+]([O-])=O)[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:7:6:1:3.4,THB:25:23:1:3.4|
CN1C2CCC1[C@@H](CO)[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:7:6:1:3.4,THB:11:9:1:3.4|
CN1C2CCC1[C@@H](C=C)[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:7:6:1:3.4,THB:11:9:1:3.4|
CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CC=C |TLB:12:11:28:8.7,THB:3:5:28:8.7|
CN1C2CCC1[C@@H](COC(=O)CCCc1ccc(N)cc1)[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:7:6:1:3.4,THB:23:21:1:3.4|
COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N2C |TLB:11:10:27:7.6,THB:2:4:27:7.6|
CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2 |TLB:12:11:28:8.7,THB:3:5:28:8.7|
COC(=O)CC[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:13:12:29:9.8,THB:5:6:29:9.8|
CCCCN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCC |TLB:28:9:4:6.7,THB:12:10:4:6.7|
CC(C)CC(C1CCCCN1)c1ccc(Cl)cc1
CCC(C1CCCCN1)c1ccc(Cl)cc1
CC(C)CCC(C1CCCCN1)c1ccc(Cl)cc1
CCC(CC)C(C1CCCCN1)c1ccc(Cl)cc1
COC(=O)C(C1CCCCN1)c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1)C(CC1CCCCC1)C1CCCCN1
COc1cccc(c1)C(CC(C)C)C1CCCCN1
CCCCCC(C1CCCCN1)c1ccc(Cl)cc1
CCCC(C1CCCCN1)c1ccc(Cl)cc1
CC(C1CCCCN1)c1ccc(Cl)cc1
CCCC(C1CCCCN1)c1ccc(Cl)c(Cl)c1
COc1ccc(cc1)C(CC(C)C)C1CCCCN1
CC(C)(C)CC(C1CCCCN1)c1ccc(Cl)cc1
Clc1ccc(cc1)C(CCc1ccccc1)C1CCCCN1
Clc1ccc(cc1)C(Cc1ccccc1)C1CCCCN1
CC(C)C(C1CCCCN1)c1ccc(Cl)cc1
Clc1ccc(cc1)C(CC1CCCC1)C1CCCCN1
CC(=O)C(C1CCCCN1)c1ccccc1
Clc1ccc(cc1)C(C1CCCC1)C1CCCCN1
CC(C)CC(C1CCCCN1)c1cccc(Cl)c1
Clc1ccc(cc1)C(CCCc1ccccc1)C1CCCCN1
CC(C)CC(C1CCCCN1)c1ccc(Cl)c(Cl)c1
CC(C)CC(C1CCCCN1)c1ccc(cc1)C(C)C
CC(C)CC(C1CCCCN1C)c1ccc(Cl)c(Cl)c1
CCCCC(C1CCCCN1)c1ccc(Cl)cc1
COC(=O)C(C1CCCCN1)c1ccc(Cl)cc1
CCCCC(C1CCCCN1)c1ccc(Cl)c(Cl)c1
COC(=O)[C@H]1[C@H]2CCC(C[C@H]1c1ccc(Cl)cc1)N2C |r,THB:2:4:18:6.7|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(C)cc1)N2C |r,THB:2:4:18:6.7|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(Br)cc1)N2C |r,THB:2:4:18:6.7|
COC(=O)[C@H]1[C@H]2CCC(C[C@H]1c1ccc(C)cc1)N2C |r,THB:2:4:18:6.7|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(Cl)cc1)N2C |r,THB:2:4:18:6.7|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccccc1)N2C |r,THB:2:4:17:6.7|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(I)cc1)N2C |r,THB:2:4:18:6.7|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(F)cc1)N2C |r,THB:2:4:18:6.7|
COc1ccc(cc1OC)[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C |r,TLB:17:16:12.13:24,THB:5:10:12.13:24|
COc1ccc(cc1)[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C |r,TLB:15:14:10.11:22,THB:5:8:10.11:22|
CN1C2CCC1[C@@H]([C@@H](C2)c1ccc(C)cc1)c1ccc(C)cc1 |r,TLB:16:6:4.3:1,THB:9:7:4.3:1|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)c1ccc(F)cc1 |r,TLB:16:6:4.3:1,THB:9:7:4.3:1|
CN1C2CCC1[C@H]([C@H](C2)c1ccccc1)c1ccc(C)cc1 |r,TLB:15:6:4.3:1,THB:9:7:4.3:1|
COc1ccc(cc1OC)[C@@H]1C2CCC(C[C@H]1c1ccc(C)cc1)N2C |r,TLB:17:16:12.13:24,THB:5:10:12.13:24|
CN1C2CCC1[C@H]([C@H](C2)c1ccccc1)c1ccccc1 |r,TLB:15:6:4.3:1,THB:9:7:4.3:1|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)c1ccccc1 |r,TLB:16:6:4.3:1,THB:9:7:4.3:1|
CC(C)N1CCC(CC1)C(CN1CCN(CCCc2ccccc2-c2ccccc2)CC1)c1ccc(F)cc1 |w:9.10|
COc1ccc2ccccc2c1CCCCN1CCN(CC(C2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1 |w:21.22|
CC(C)N1CCC(CC1)C(CN1CCN(CCCc2ccccc2-c2ccc(F)cc2)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|
CC[C@@H]1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1Cl)[C@H]1CCCN2CCCC[C@H]12
COC(=O)[C@H]([C@H]1CCCCN1)c1ccc(Cl)c(Cl)c1
CC[C@@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1
Clc1ccc(cc1Cl)[C@@H]1CCCN2CCCC[C@H]12
O=C1CC[C@@H]([C@H]2CCCCN12)c1ccccc1
C[C@@H]1C[C@@H]([C@H]2CCCCN2C1)c1ccccc1
CC[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1
CC[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1
CO[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1
O[C@@H]1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1
COC(=O)[C@@H]([C@H]1CCCC[NH2+]1)c1ccc(Cl)c(Cl)c1
Clc1ccccc1[C@H]1CCCN2CCCC[C@H]12
OC[C@@H]([C@H]1CCCCN1)c1ccc(Cl)c(Cl)c1
O[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1
C[C@H]1C[C@@H]([C@H]2CCCCN2C1)c1ccccc1
C1CCN2CCC[C@@H]([C@H]2C1)c1ccccc1
COC(=O)C1=C(CCC1)c1ccc2ccccc2c1 |t:4|
CCOC(=O)C1=C(CCNC1)c1ccc(Cl)c(Cl)c1 |t:5|
COC(=O)[C@@H]1CCCC[C@@H]1c1ccc(cc1)C(F)(F)F
COC(=O)C1=C(CCC1)c1cccc(N)c1 |t:4|
COC(=O)C1=C(CCCC1)c1cccc(c1)C(F)(F)F |t:4|
COC(=O)C1=C(CCCCC1)c1ccc(cc1)-c1ccccc1 |t:4|
COC(=O)C1=C(CCCCC1)c1ccc2ccccc2c1 |t:4|
COC(=O)C1=C(CCCC1)c1ccc(cc1)-c1ccccc1 |t:4|
COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccccc1
COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)c(Cl)c1
COC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(I)cc1
COC(=O)[C@@H]1CCCC[C@@H]1c1ccc(OC(F)(F)F)cc1
COC(=O)C1=C(CCCC1)c1ccccc1 |t:4|
COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7|
COC(=O)C1=C(CCCC1)c1ccc(cc1)C(F)(F)F |t:4|
COC(=O)[C@@H]1CCCCC[C@@H]1c1ccc(cc1)-c1ccccc1
COC(=O)C1=C(CCC1)c1cccc(Cl)c1 |t:4|
COC(=O)C1=C(CCCC1)c1ccc(Cl)cc1 |t:4|
COC(=O)[C@@H]1CCCC[C@@H]1c1cccc(c1)C(F)(F)F
COC(=O)C1=C(CCCC1)c1cccc(Cl)c1 |t:4|
COC(=O)C1=C(CCC1)c1ccc(Cl)cc1 |t:4|
COC(=O)C1=C(CCCCC1)c1ccc(cc1)C(C)(C)C |t:4|
COC(=O)C1=C(CCCCC1)c1ccc(Cl)cc1 |t:4|
COC(=O)[C@@H]1CCCC[C@@H]1c1ccc(cc1)C(C)(C)C
COC(=O)C1=C(CCC1)c1ccc(OC)cc1 |t:4|
COC(=O)C1=C(CCCC1)c1ccc(O)cc1 |t:4|
COC(=O)[C@@H]1CN(C)CC[C@H]1c1ccccc1
COC(=O)C1=C(CCCC1)c1ccc(Cl)c(Cl)c1 |t:4|
COC(=O)C1=C(CCCC1)c1ccc(cc1)C(C)(C)C |t:4|
COC(=O)C1=C(CCC1)c1ccc(cc1)[N+]([O-])=O |t:4|
COC(=O)[C@@H]1CCCC[C@@H]1c1ccc(cc1)-c1ccccc1
C\C=C\C1=C(CCCC1)c1ccc(Cl)c(Cl)c1 |t:3|
COC(=O)C1=C(CCCC1)c1ccc(OC(F)(F)F)cc1 |t:4|
COC(=O)C1=C(CCC1)c1ccc(cc1)C(C)=O |t:4|
COC(=O)[C@@H]1CCCCC[C@@H]1c1ccc(cc1)C(C)(C)C
COC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1
COC(=O)C1=C(CCCCC1)c1cccc(Cl)c1 |t:4|
COC(=O)C1=C(CCC1)c1ccc(OC(F)(F)F)cc1 |t:4|
COC(=O)C1=C(CCCCC1)c1ccc(Cl)c(Cl)c1 |t:4|
COC(=O)C1=C(CCCC1)c1cccc(c1)[N+]([O-])=O |t:4|
COC(=O)C1=C(CCCC1)c1ccc2ccccc2c1 |t:4|
COC(=O)C1=C(CCC1)c1ccc(cc1)S(C)(=O)=O |t:4|
COC(=O)C1=C(CCC1)c1ccc(cc1)C(C)(C)C |t:4|
CCOC(=O)C1=C(CCNC1)c1ccc2ccccc2c1 |t:5|
CCOC(=O)C1=C(CCNC1)c1cccc(c1)[N+]([O-])=O |t:5|
CN(C)CCCc1c[nH]c2ccccc12
CNCC1CC1c1cccc2cc(ccc12)C#N |w:5.6,3.2|
CCN(C)CC1CC1c1ccc2ccccc2c1 |w:5.4,7.8|
CN(C)C[C@H]1C[C@@H]1c1c[nH]c2ccccc12
CN(C)CC1CC1c1cnc2ccccc2c1 |w:6.7,4.3|
CN(C)CC1CC1c1cccc2ccccc12 |w:6.7,4.3|
CN(C)CC1CC1c1ccc2ccccc2c1 |w:4.3,6.7|
CCN(CC)CC1CC1c1ccc2ccccc2c1 |w:8.9,6.5|
CCN(CC)CC1CC1c1cccc2cc(ccc12)C#N |w:6.5,8.9|
CN(C)CC1CC1c1ccc2cc(ccc2c1)C#N |w:6.7,4.3|
CN(C)CC1CC1c1cccc2c(cccc12)C#N |w:4.3,6.7|
CN(C)CC1CC1c1c[nH]c2ncccc12
CCNCC1CC1c1cccc2cc(ccc12)C#N |w:4.3,6.7|
CN(C)CC1CC1c1cccc2cc(ccc12)C#N |w:4.3,6.7|
CN(CC1CC1c1cccc2cc(ccc12)C#N)Cc1ccccc1 |w:3.2,5.6|
CN(C)CC1CC1c1csc2ccccc12 |w:6.7,4.3|
CCN(CC)CC1CC1c1cccc2ccccc12 |w:6.5,8.9|
CCN(C)CC1CC1c1cccc2ccccc12 |w:7.8,5.4|
CN(C)CC1CC1c1n[nH]c2ccc(cc12)C#N |w:6.7,4.3|
CN(C)CC1CC1c1ccc2cc(C#N)c(cc2c1)C#N |w:4.3,6.7|
CNCC1CC1c1ccc2ccccc2c1 |w:3.2,5.6|
CN(C)CC1CC1c1cncc2ccccc12 |w:6.7,4.3|
N#Cc1ccc2c(cccc2c1)C1CC1CN1CCCC1 |w:14.17,12.13|
CNCC1CC1c1cccc2ccccc12 |w:5.6,3.2|
CN(C)CC1CC1c1ccc2ccc(cc2c1)C#N |w:6.7,4.3|
CN(C)CC1CC1c1cnc2ccccn12 |w:6.7,4.3|
CN1CCc2ccc3[nH]c(=O)c4cccc5C[C@@H]1c2c3c45
CN1CCc2cccc-3c2[C@H]1Cc1cccc(-c2c(C)cccc2C#N)c-31 |wD:10.11,(21.5,-8.8,;21.5,-7.27,;22.84,-6.51,;22.87,-4.98,;21.53,-4.21,;21.56,-2.65,;20.23,-1.86,;18.86,-2.62,;18.86,-4.18,;20.19,-4.98,;20.19,-6.51,;18.86,-7.27,;17.55,-6.51,;16.21,-7.27,;14.91,-6.51,;14.91,-4.98,;16.21,-4.18,;16.18,-2.49,;14.78,-1.86,;13.54,-2.72,;14.66,-.33,;15.93,.56,;17.3,-.11,;17.42,-1.63,;18.76,-.84,;20.07,-.07,;17.55,-4.95,)|
CN1CCc2ccc3c4c2[C@H]1Cc1cccc(oc3=O)c41
CN1CCc2ccc3c4-c5c(cccc5C[C@@H]1c24)[C@@]3(C)O
CN1CCc2ccc3c4-c5c(cccc5C[C@@H]1c24)[C@]3(C)O
CN1CCc2ccc3Cc4cccc5C[C@]1(C)c2c3-c45
CN1CCc2ccc3c4c2[C@H]1Cc1cccc([nH]c3=O)c41
C[C@H]1c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45
CO[C@]1(C)c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45
CN1CCc2ccc3[C@@H](N)c4cccc5C[C@@H]1c2c3-c45
CN1CCc2ccc3[C@@H](NC(C)=O)c4cccc5C[C@@H]1c2c3-c45
CN1CCc2ccc3[C@H](N)c4cccc5C[C@@H]1c2c3-c45
CN1CCc2ccc3[C@H](O)c4cccc5C[C@@H]1c2c3-c45
CN1CCc2cccc-3c2[C@H]1Cc1cccc(-c2c(C)cccc2O)c-31 |wD:10.11,(3.15,-8.39,;3.15,-6.86,;4.49,-6.09,;4.51,-4.55,;3.18,-3.79,;3.2,-2.22,;1.86,-1.42,;.49,-2.19,;.49,-3.75,;1.83,-4.55,;1.83,-6.09,;.49,-6.86,;-.83,-6.09,;-2.17,-6.86,;-3.49,-6.09,;-3.49,-4.55,;-2.17,-3.75,;-2.21,-2.06,;-3.61,-1.42,;-4.85,-2.28,;-3.73,.12,;-2.45,1.01,;-1.08,.34,;-.95,-1.19,;.38,-.39,;-.83,-4.52,)|
CO[C@@]1(C)c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45
CN1CCc2ccc3oc(=O)c4cccc5C[C@@H]1c2c3c45
CN1CCc2ccc3[C@H](NC(C)=O)c4cccc5C[C@@H]1c2c3-c45
C[C@@H]1c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45
CN1CCc2ccc3[C@@H](O)c4cccc5C[C@@H]1c2c3-c45
[H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
CNCc1cc(ccc1Oc1cccc(Cl)c1)C(=O)N1CCN(CC1)C1CC1
CNCc1cc(ccc1Oc1ccc(Cl)cc1)C(=O)N1CCN(CC1)C1CCC1
CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CC1)C1CCC1
CNCc1cc(ccc1Oc1ccc(SC)c(C)c1)C(=O)N1CCN(CC1)C1CC1
CNCc1cc(ccc1Oc1ccc(SC)cc1)C(=O)N1CCCN(CC1)C(C)C
CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCCN(CC1)C(C)C
CNCc1cc(ccc1Oc1ccc(Cl)cc1)C(=O)N1CCCN(CC1)C1CC1
CNCc1cc(ccc1Oc1ccc(Cl)cc1F)C(=O)N1CCCN(CC1)C1CC1
CNCc1cc(ccc1Oc1ccc(F)cc1)C(=O)N1CCCN(CC1)C1CC1
CNCc1cc(ccc1Oc1ccccc1)C(=O)N1CCCN(CC1)C1CC1
CNCc1cc(ccc1Oc1ccccc1C#N)C(=O)N1CCCN(CC1)C1CC1
CNCc1cc(ccc1Oc1ccc(SC)cc1)C(=O)N1CCCN(CC1)C1CC1
CNCc1cc(ccc1Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCCN(CC1)C1CC1
CNCc1cc(ccc1Oc1ccc(SC(F)(F)F)cc1)C(=O)N1CCCN(CC1)C1CC1
CNCc1cc(ccc1Oc1ccccc1OC(F)(F)F)C(=O)N1CCCN(CC1)C1CC1
CNCc1cc(ccc1Oc1ccc(cc1)C#N)C(=O)N1CCCN(CC1)C1CC1
CNCc1cc(ccc1Oc1cccc(c1)C#N)C(=O)N1CCCN(CC1)C1CC1
CNCc1cc(ccc1Oc1cccc(Cl)c1)C(=O)N1CCCN(CC1)C(C)C
CNCc1cc(ccc1Oc1ccc(Cl)cc1)C(=O)N1CCCN(CC1)C(C)C
CSc1ccc(cc1)[C@@H]1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12
CNCc1cc(ccc1Oc1ccc(SC)cc1)C(=O)N1CCN(CC1)C(C)C
CNCc1cc(ccc1Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCN(CC1)C1CC1
CNCc1cc(ccc1Oc1cccc(F)c1)C(=O)N1CCN(CC1)C1CC1
CNCc1cc(ccc1Oc1ccccc1)C(=O)N1CCN(CC1)C1CC1
CNCc1cc(ccc1Oc1cccc(OC)c1)C(=O)N1CCN(CC1)C(C)C
CNCc1cc(ccc1Oc1ccc(Cl)cc1)C(=O)N1CCN(CC1)C1CCCC1
CNCc1cc(ccc1Oc1ccc(Cl)cc1)C(=O)N1CCN(CC1)C1CC1
CNCc1cc(ccc1Oc1ccc(Cl)cc1)C(=O)N1CCN(CC1)C(C)C
CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CC1)C1CCCC1
CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CC1)C1CC1
CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CC1)C(C)C
CNCc1cc(ccc1Oc1ccc(SC)c(C)c1)C(=O)N1CCN(CC1)C(C)C
CNCc1cc(ccc1Oc1ccc(SC)cc1)C(=O)N1CCN(CC1)C1CC1
CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCCN(CC1)C1CC1
CNCc1cc(ccc1Oc1ccc(SC)c(C)c1)C(=O)N1CCCN(CC1)C1CC1
CNCc1cc(ccc1Oc1ccc(F)c(Cl)c1)C(=O)N1CCCN(CC1)C1CC1
CNCc1cc(ccc1Oc1ccccc1C(F)(F)F)C(=O)N1CCCN(CC1)C1CC1
CNCc1cc(ccc1Oc1cccc(F)c1)C(=O)N1CCCN(CC1)C1CC1
CNCc1cc(ccc1Oc1ccccc1F)C(=O)N1CCCN(CC1)C1CC1
CNCc1cc(ccc1Oc1cccc(Cl)c1)C(=O)N1CCCN(CC1)C1CC1
CNCc1cc(ccc1Oc1cccc(OC)c1)C(=O)N1CCCN(CC1)C1CC1
CNCc1cc(NS(C)(=O)=O)ccc1Oc1ccc(Cl)cc1C
CNCc1cc(ccc1Oc1ccc(Cl)cc1C)N1CCCS1(=O)=O
CNCc1cc(ccc1Oc1ccc(Cl)cc1C)C(=O)N(C)C
CNCc1cc(ccc1Oc1ccc(Cl)cc1C)C(=O)NC
CNCc1cc(ccc1Oc1ccc(Cl)cc1C)C(N)=O
CNCc1cc(ccc1Oc1ccc(Cl)cc1Cl)N1CCCS1(=O)=O
CNCc1cc(ccc1Oc1ccc(Cl)cc1Cl)C(=O)N(C)C
CNCc1cc(ccc1Oc1ccc(Cl)cc1Cl)C(=O)NC
CNCc1cc(ccc1Oc1ccc(Cl)cc1Cl)C(N)=O
CNCc1cc(ccc1Oc1ccc(Cl)cc1Cl)C#N
CNCc1cc(ccc1Oc1ccc(Cl)cc1OC)C(=O)N(C)C
CNCc1cc(ccc1Oc1ccc(Cl)cc1OC)C(=O)NC
CNCc1cc(ccc1Oc1ccc(Cl)cc1OC)C(N)=O
CNCc1cc(ccc1Oc1ccc(Cl)cc1OC)C#N
CNCc1ccccc1Oc1ccc(OC)cc1Cl
CNCc1ccccc1Oc1ccc(Cl)cc1F
CNCc1ccccc1Oc1ccc(Cl)cc1C
CNCc1ccccc1Oc1ccc(Cl)cc1Cl
CNCc1ccccc1Oc1ccc(Cl)cc1OC
COc1cc(Cl)ccc1Oc1ccccc1CN(C)C
CN(C)Cc1ccccc1Oc1ccc(F)cc1Cl
CN(C)Cc1ccccc1Oc1ccc(Cl)cc1F
CN(C)Cc1ccccc1Oc1ccc(Cl)cc1Cl
CN(C)Cc1ccccc1Oc1ccccc1Cl
CN(C)Cc1ccccc1Oc1ccccc1
CNC[C@@H]1CCCC[C@@]1(OC)c1cccc(O)c1
CNC[C@H]1CCCC[C@]1(OC)c1cccc(O)c1
CNC[C@H]1CCCC[C@]1(OC)c1cccc(OC)c1
CO[C@]1(CCCC[C@H]1CN(C)C)c1ccccc1
COc1cccc(c1)[C@]1(CCCC[C@@H]1CN(C)C)OCCCO
CN(C)C[C@H]1CCCC[C@]1(OCCO)c1cccc(O)c1
COc1cccc(c1)[C@]1(CCCC[C@@H]1CN(C)C)OCCO
CO[C@@]1(CCCC[C@@H]1CN(C)C)c1cccc(c1)C#N
CO[C@@]1(CCCC[C@@H]1CN(C)C)c1ccccc1
CN(C)C[C@H]1CCCC[C@]1(OCC1CC1)c1cccc(O)c1
CCCCO[C@@]1(CCCC[C@@H]1CN(C)C)c1cccc(O)c1
CCCO[C@@]1(CCCC[C@@H]1CN(C)C)c1cccc(O)c1
CCO[C@@]1(CCCC[C@@H]1CN(C)C)c1cccc(O)c1
CO[C@@]1(CCCC[C@@H]1CN(C)C)c1cccc(O)c1
COc1cccc(c1)[C@]1(CCCC[C@@H]1CN(C)C)OCC1CC1
CCCCO[C@@]1(CCCC[C@@H]1CN(C)C)c1cccc(OC)c1
CCCO[C@@]1(CCCC[C@@H]1CN(C)C)c1cccc(OC)c1
CCO[C@@]1(CCCC[C@@H]1CN(C)C)c1cccc(OC)c1
COc1cccc(c1)[C@]1(CCCC[C@@H]1CN(C)C)OC
CNC[C@@H]1CCCC[C@@]1(OC)c1cccc(OC)c1
CSc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1
COc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 |r|
COC(=O)c1ccccc1S[C@H]([C@@H]1CNCCO1)c1ccccc1
FCCCOc1ccccc1S[C@H]([C@@H]1CNCCO1)c1ccccc1
FCCOc1ccccc1S[C@H]([C@@H]1CNCCO1)c1ccccc1
COc1ccccc1S[C@H]([C@@H]1CNCCO1)c1ccccc1
COC(=O)c1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1
CC#CCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCOc2c1
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCOc2c1
NC[C@@H]1C[C@@]1(C(=O)N(CC#C)CC#C)c1ccc2OCCOc2c1
NC[C@@H]1C[C@@]1(C(=O)N(CC=C)CC=C)c1ccc2OCCOc2c1
NC[C@@H]1C[C@@]1(C(=O)N(CC#C)CC(F)=C)c1ccc2OCCOc2c1
NC[C@@H]1C[C@@]1(C(=O)N(CC=C)CC(F)=C)c1ccc2OCCOc2c1
CN(CC(F)=C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCOc2c1
NC[C@@H]1C[C@@]1(C(=O)N(CC#C)CC1CC1)c1ccc2OCCOc2c1
NC[C@@H]1C[C@@]1(C(=O)N(CC#C)C1CC1)c1ccc2OCCOc2c1
CCN(CC#C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCOc2c1
CCN(CC1CC1)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCOc2c1
CCN(CC(F)=C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCOc2c1
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCOc2c1
NC[C@@H]1C[C@@]1(C(=O)N1CCc2ccccc2C1)c1ccc2OCOc2c1
NC[C@@H]1C[C@@]1(C(=O)N1CCc2sccc2C1)c1ccc2OCOc2c1
NC[C@@H]1C[C@@]1(C(=O)N1CCOc2ccccc12)c1ccc2OCOc2c1
NC[C@@H]1C[C@@]1(C(=O)N1CCc2ccccc12)c1ccc2OCOc2c1
NC[C@@H]1C[C@@]1(C(=O)N(CC#C)CC#C)c1ccc2OCOc2c1
NC[C@@H]1C[C@@]1(C(=O)N(CC=C)CC=C)c1ccc2OCOc2c1
CCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCOc2c1
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccc2CCCc2c1
CCCN(CC#CC)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCc2c1
CC#CCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCc2c1
NC[C@@H]1C[C@@]1(C(=O)N(CC=C)CC#C)c1ccc2OCCc2c1
NC[C@@H]1C[C@@]1(C(=O)N(CC=C)CC=C)c1ccc2OCCc2c1
CCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCc2c1
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCc2c1
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccc2occc2c1
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1cccc(F)c1
NCC1C(c2ccccc2)C1(C(=O)N1CCc2ccccc12)c1ccccc1 |w:10.25,3.3,2.1|
CCN(CC=C)C(=O)C1(C(CN)C1c1ccccc1)c1ccccc1 |w:9.9,8.7,12.13|
CCN(CC)C(=O)C1(C(CN)C1c1ccccc1)c1ccccc1 |w:8.8,7.6,11.12|
CCN(CC=C)C(=O)C1(C(CN)C1(C)C)c1ccccc1 |w:8.15,9.9|
CCN(CC)C(=O)C1(C(CN)C1(C)C)c1ccccc1 |w:7.14,8.8|
CCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCOc2c1
NC[C@@H]1C[C@@]1(C(=O)C1NCc2ccccc12)c1ccc2OCOc2c1 |w:7.7|
CCN(CC)C(=O)C1(CC1(C)CN)c1ccccc1 |w:7.13,9.10|
CCN(CC=C)C(=O)C1(CC1CN)c1ccccc1 |w:8.13,10.11|
NC[C@@H]1C[C@@]1(C(=O)N(CC#C)CC#C)c1ccc2OCCc2c1
CCCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCc2c1
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccc2sccc2c1
CC1(C)C(CN)C1(C(=O)N1CCc2ccccc12)c1ccccc1 |w:3.3,6.20|
NCC1CC1(C(=O)N1CCc2ccccc12)c1ccccc1 |w:2.1,4.18|
CCN(CC)C(=O)[C@]1(C[C@H]1CN(C)C)c1ccsc1
CCN(CC)C(=O)[C@]1(C[C@H]1CNC)c1ccsc1
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1csc2ccccc12
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1nc2ccccc2s1
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1cc2cc(F)ccc2s1
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1cc2ccccc2s1
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1cccnc1
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccn1
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1sc(Cl)c(Cl)c1Cl
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1cc(Cl)c(Cl)s1
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccc(Cl)s1
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccc(Br)s1
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1cccs1 |r|
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccsc1
CCN(C=C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCOc2c1
NC[C@@H]1C[C@@]1(C(=O)N1CCCc2ccccc12)c1ccsc1
NC[C@@H]1C[C@@]1(C(=O)C1NCc2ccccc12)c1ccsc1 |w:7.7|
NC[C@@H]1C[C@@]1(C(=O)N1CCc2ccccc2C1)c1ccsc1
COCCN(CC(F)=C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1
CN(CC(F)=C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1
CN(CC#C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1
COCCN(CC#C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1
COCCN(C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1
COCCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1
NC[C@@H]1C[C@@]1(C(=O)N(CC=C)CC#C)c1ccsc1
CN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1
CCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1 |r|
NC[C@@H]1C[C@@]1(C(=O)N1C=COc2ccccc12)c1ccsc1 |c:9|
NC[C@@H]1C[C@@]1(C(=O)N1CCCC=C1)c1ccsc1 |c:12|
NC[C@@H]1C[C@@]1(C(=O)N(CC#C)CC#C)c1ccsc1
NC[C@@H]1C[C@@]1(C(=O)N(CC=C)C1CC1)c1ccsc1
NC[C@@H]1C[C@@]1(C(=O)N(CC=C)CC=C)c1ccsc1
CCNC(=O)C1(CC1CN)c1ccccc1 |w:7.8,5.10|
NCC(=O)NCC1CC1(C(=O)C1NCCc2ccccc12)c1ccccc1 |w:11.11,6.5,8.23|
NCC(=O)NCC1CC1(C(=O)N1CCc2ccccc12)c1ccccc1 |w:6.5,8.22|
CCN(CC)C(=O)[C@]1(C[C@H]1CNC(=O)CN)c1ccccc1 |r|
NCC1CC1(C(=O)C1NCCc2ccccc12)c1ccccc1 |w:4.5,7.7,2.1|
NCC1CC1(C(=O)N1CCCc2ccccc12)c1ccccc1 |w:4.5,2.1|
NCC1CC1(C(=O)N1CCCCCC1)c1ccccc1 |w:4.5,2.1|
NCC1CC1(C(=O)N1CCCCC1)c1ccccc1 |w:4.5,2.1|
NCC1CC1(C(=O)N1CCOCC1)c1ccccc1 |w:4.5,2.1|
CC(C)N(C(C)C)C(=O)C1(CC1CN)c1ccccc1 |w:9.14,11.12|
CCN(Cc1ccccc1)C(=O)C1(CC1CN)c1ccccc1 |w:12.12,14.16|
CCN(CCOC)C(=O)C1(CC1CN)c1ccccc1 |w:9.14,11.12|
CCN(C1CCCCC1)C(=O)C1(CC1CN)c1ccccc1 |w:11.11,13.15|
CCCCN(CC)C(=O)C1(CC1CN)c1ccccc1 |w:9.14,11.12|
CCCN(CC)C(=O)C1(CC1CN)c1ccccc1 |w:8.13,10.11|
NCC1CC1(C(=O)NCc1ccccc1)c1ccccc1 |w:4.5,2.1|
NCC1CC1(C(=O)Nc1ccccc1)c1ccccc1 |w:4.5,2.1|
NCC1CC1(C(=O)NC1CC1)c1ccccc1 |w:4.12,2.1|
CCN(CC)C(=O)C1(CC1CNCc1ccncc1)c1ccccc1 |w:7.20,9.10|
CCN(CC)C(=O)C1(CC1CNCc1cccnc1)c1ccccc1 |w:7.20,9.10|
CCN(CC)C(=O)C1(CC1CNCc1ccccn1)c1ccccc1 |w:7.20,9.10|
CCN(CC)C(=O)C1(CC1CNCc1ccco1)c1ccccc1 |w:7.19,9.10|
CCN(CC)C(=O)C1(CC1CNCc1cnco1)c1ccccc1 |w:7.19,9.10|
CCN(CC)C(=O)C1(CC1CNCC(OC)OC)c1ccccc1 |w:7.18,9.10|
CCN(CC)C(=O)C1(CC1CNCC1CCCC1)c1ccccc1 |w:7.19,9.10|
CCN(CC)C(=O)C1(CC1CNCC(C)C)c1ccccc1 |w:9.10,7.16|
CCNCC1CC1(C(=O)N(CC)CC)c1ccccc1 |w:4.3,6.14|
CCN(CC)C(=O)[C@]1(C[C@H]1CNC)c1ccccc1
CC(C)N(C(C)C)C(=O)C1(CC1CNC(=O)CN)c1ccccc1 |w:9.8,11.12|
NCC1CC1(C(=O)N1CCCC1)c1ccccc1 |w:4.13,2.1|
CCN(C(=O)C1(CC1CN)c1ccccc1)c1ccccc1 |w:5.4,7.8|
CCN(C(=O)C1(CC1CN)c1ccccc1)C(C)(C)C |w:5.10,7.8|
CCN(C)C(=O)C1(CC1CN)c1ccccc1 |w:6.11,8.9|
CCN(CC)C(=O)[C@]1(C[C@H]1CN(C)C)c1ccccc1
CCN(CC)C(=O)C1(CC1CNCc1ccc[nH]1)c1ccccc1 |w:7.19,9.10|
CCN(CC)C(=O)C1(CC1CNCc1ncco1)c1ccccc1 |w:7.19,9.10|
CCCCNCC1CC1(C(=O)N(CC)CC)c1ccccc1 |w:6.5,8.16|
CCCCCCC(=O)OC[C@@H]1[C@H]2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2C |w:14.13,THB:9:10:25:13.12,17:16:25:13.12|
Clc1ccc(cc1Cl)[C@H]1CC2CCC(S2)[C@H]1COC(=O)CCC(=O)OC[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)S2 |w:30.33,27.46,10.15,13.14,THB:33:32:41:29.28,4:8:14:11.12,25:26:41:29.28,16:15:14:11.12|
Clc1ccc(cc1Cl)[C@H]1CC2CCC(O2)[C@H]1COC(=O)CCC(=O)OC[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)S2 |w:10.10,13.14,30.45,27.46,THB:4:8:14:11.12,33:32:41:29.28,16:15:14:11.12,25:26:41:29.28|
CN1C2CC[C@@H]1[C@@H](COC(=O)CCC(=O)OC[C@@H]1C3CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)S3)[C@H](C2)c1ccc(Cl)c(Cl)c1 |w:2.38,21.34,18.35,TLB:35:33:1:3.4,7:6:1:3.4,THB:24:23:32:20.19,16:17:32:20.19|
CN1C2CC[C@@H]1[C@@H](COC(=O)CCC(=O)OC[C@@H]1[C@H]3CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)O3)[C@H](C2)c1ccc(Cl)c(Cl)c1 |w:2.2,21.34,TLB:35:33:1:3.4,7:6:1:3.4,THB:24:23:32:20.19,16:17:32:20.19|
CN1C2CCC1[C@@H](COC(=O)CCCCCCCCCCC(=O)OC[C@@H]1C3CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N3C)[C@H](C2)c1ccc(Cl)c(Cl)c1 |w:29.29,26.27,2.47,5.4,TLB:44:42:1:3.4,7:6:1:3.4,THB:24:25:40:28.27,32:31:40:28.27|
CN1C2CCC1[C@@H](COC(=O)CCCCCCCCC(=O)OC[C@@H]1C3CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N3C)[C@H](C2)c1ccc(Cl)c(Cl)c1 |w:5.4,27.27,24.25,2.45,TLB:42:40:1:3.4,7:6:1:3.4,THB:30:29:38:26.25,22:23:38:26.25|
CN1C2CCC1[C@@H](COC(=O)CCCCCCC(=O)OC[C@@H]1C3CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N3C)[C@H](C2)c1ccc(Cl)c(Cl)c1 |w:2.2,5.4,25.25,22.23,TLB:40:38:1:3.4,7:6:1:3.4,THB:28:27:36:24.23,20:21:36:24.23|
CN1C2CCC1[C@@H](COC(=O)CCCCC(=O)OC[C@@H]1C3CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N3C)[C@H](C2)c1ccc(Cl)c(Cl)c1 |w:2.2,5.4,23.23,20.21,TLB:38:36:1:3.4,7:6:1:3.4,THB:26:25:34:22.21,18:19:34:22.21|
CN1C2CCC1[C@@H](COC(=O)CCC(=O)OC[C@@H]1C3CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N3C)[C@H](C2)c1ccc(Cl)c(Cl)c1 |w:2.39,5.4,21.21,18.19,TLB:36:34:1:3.4,7:6:1:3.4,THB:24:23:32:20.19,16:17:32:20.19|
CCCCN1CCC2(CC1)OC(OC)c1c2cnn1-c1ccccc1 |w:11.12|
CO[C@@H]1OC2(CCN(Cc3ccccc3)CC2)c2cnn(c12)-c1ccccc1 |r|
O[C@@H](CN[C@H]1CC[C@H](NC1)C(c1ccccc1)c1ccccc1)Cc1ccccc1
O[C@@H](CCN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccc(F)cc1
O[C@H](CCN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccc(F)cc1
O[C@H](CN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccc(F)cc1
O[C@@H](CN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccc(F)cc1
O[C@H](CN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccccc1
O[C@@H](CN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccccc1
O[C@H](CN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)Cc1ccccc1
O[C@@H](CN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)Cc1ccccc1
O[C@H](CN[C@H]1CC[C@H](NC1)C(c1ccccc1)c1ccccc1)Cc1ccccc1
O[C@H](CN[C@H]1CC[C@H](NC1)C(c1ccccc1)c1ccc(F)cc1)c1ccc(F)cc1 |w:10.18|
O[C@@H](CN[C@H]1CC[C@H](NC1)C(c1ccccc1)c1ccccc1)c1ccc(F)cc1
CN(C)Cc1cnc(C)cc1Oc1ccccc1Oc1ccccc1
CCCc1ccccc1Oc1cc(C)ncc1CN(C)C
CCCc1ccccc1Oc1cc(C)ncc1CNC
CC(C)c1ccccc1Oc1cc(C)ncc1CN(C)C
CNCc1cnc(C)cc1Oc1ccccc1C(C)C
CN(C)Cc1cnc(C)cc1Oc1ccccc1Cl
CNCc1cnc(C)cc1Oc1ccccc1Cl
CSc1ccccc1Oc1cc(C)ncc1CN(C)C
CNCc1cnc(C)cc1Oc1ccccc1SC
CN(C)Cc1cnc(C)cc1Oc1ccccc1C
CNCc1cnc(C)cc1Oc1ccccc1C
CCOc1ccccc1Oc1cc(C)ncc1CN(C)C
CCOc1ccccc1Oc1cc(C)ncc1CNC
COc1ccccc1Oc1cc(C)ncc1CN(C)C
CNCc1cnc(C)cc1Oc1ccccc1OC
CCc1ccccc1Oc1cc(C)ncc1CN(C)C
CCc1ccccc1Oc1cc(C)ncc1CNC
CCc1cc(Cl)ccc1Oc1cc(C)ncc1CN(C)C
CCc1cc(Cl)ccc1Oc1cc(C)ncc1CNC
CN(C)Cc1cnccc1Oc1ccc(Cl)cc1Cl
CNCc1cnccc1Oc1ccc(Cl)cc1Cl
CNCc1cnc(C)cc1Oc1ccc(C)cc1OC
CNCc1cnc(C)cc1Oc1ccc(Cl)cc1Br
CN(C)Cc1cnccc1Oc1ccc(Cl)cc1Br
CN(C)Cc1cnc(C)cc1Oc1ccc(Cl)cc1C
CNCc1cnc(C)cc1Oc1ccc(Cl)cc1C
CN(C)Cc1cnccc1Oc1ccc(Cl)cc1C
CCc1cc(Cl)ccc1Oc1ccncc1CNC
COc1cc(Cl)ccc1Oc1cc(C)ncc1CN(C)C
CNCc1cnc(C)cc1Oc1ccc(Cl)cc1OC
CNCc1cnccc1Oc1ccc(Cl)cc1OC
CCOc1cc(Cl)ccc1Oc1ccncc1CNC
CNCc1cnc(C)cc1Oc1ccc(F)cc1C
CNCc1cnccc1Oc1ccc(Cl)cc1Br
CNCc1cnccc1Oc1ccc(Cl)cc1C
CCc1cc(Cl)ccc1Oc1ccncc1CN(C)C
COc1cc(Cl)ccc1Oc1ccncc1CN(C)C
CCCCC1CCN(CC1)CCCN2c3ccccc3CCC2=O
O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1
O=C1CCc2ccccc2N1CCCN1CCN(CC1)c1ccccc1
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1cn(Cc2ccccc2)nn1 |r,TLB:0:1:4.3:6.7.8,16:6:4.3:1,THB:9:7:4.3:1|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1cn(CCN2CCCCC2)nn1 |r,TLB:0:1:4.3:6.7.8,16:6:4.3:1,THB:9:7:4.3:1|
CN1[C@H]2CC[C@@H]1[C@@H](C#Cc1ccc(N)cc1)[C@H](C2)c1ccc(Cl)cc1 |r,TLB:0:1:4.3:6.16.17,7:6:4.3:1,THB:18:16:4.3:1|
CN1[C@H]2CC[C@@H]1[C@@H](C#Cc1ccc(cc1)[N+]([O-])=O)[C@H](C2)c1ccc(Cl)cc1 |r,TLB:0:1:4.3:6.18.19,7:6:4.3:1,THB:20:18:4.3:1|
CN1[C@H]2CC[C@@H]1[C@@H](C#Cc1ccccc1)[C@H](C2)c1ccc(Cl)cc1 |r,TLB:0:1:4.3:6.15.16,7:6:4.3:1,THB:17:15:4.3:1|
CN1[C@H]2CC[C@@H]1[C@@H](C#Cc1ccccc1)[C@H](C2)c1ccc(C)cc1 |r,TLB:0:1:4.3:6.15.16,7:6:4.3:1,THB:17:15:4.3:1|
CN1[C@H]2CC[C@@H]1[C@@H](C#C)[C@H](C2)c1ccc(Cl)cc1 |r,TLB:0:1:4.3:6.9.10,7:6:4.3:1,THB:11:9:4.3:1|
CN1[C@H]2CC[C@@H]1[C@@H](C#C)[C@H](C2)c1ccc(C)cc1 |r,TLB:0:1:4.3:6.9.10,7:6:4.3:1,THB:11:9:4.3:1|
[#6]-[#7]-1-[#6@H]-2-[#6]-[#6]-[#6@@H]-1-[#6@H](\[#6]=[#6](/Br)Br)-[#6@H](-[#6]-2)-c1ccc(Cl)cc1 |r,TLB:0:1:4.3:6.11.12,7:6:4.3:1,THB:13:11:4.3:1|
[#6]-[#7]-1-[#6@H]-2-[#6]-[#6]-[#6@@H]-1-[#6@H](\[#6]=[#6](/Br)Br)-[#6@H](-[#6]-2)-c1ccc(-[#6])cc1 |r,TLB:0:1:4.3:6.11.12,7:6:4.3:1,THB:13:11:4.3:1|
[#6]-[#7]-1-[#6@H]-2-[#6]-[#6]-[#6@@H]-1-[#6@@H](\[#6]=[#6](/Br)Br)-[#6@H](-[#6]-2)-c1ccc(Cl)cc1 |r,TLB:0:1:4.3:6.11.12,7:6:4.3:1,THB:13:11:4.3:1|
[#6]-[#7]-1-[#6@H]-2-[#6]-[#6]-[#6@@H]-1-[#6@@H](\[#6]=[#6](/Br)Br)-[#6@H](-[#6]-2)-c1ccc(-[#6])cc1 |r,TLB:0:1:4.3:6.11.12,7:6:4.3:1,THB:13:11:4.3:1|
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccccc1)N2C |r,TLB:18:17:6.7:4.10.9,11:10:6.7:17,THB:2:4:6.7:17|
COc1ccccc1CNCCc1cc(OC)c(I)cc1OC
COc1ccc(Cc2cc(on2)[C@@H]2C3CCC(C[C@@H]2c2ccc(C)cc2)N3C)cc1 |r,THB:9:12:26:14.15|
COc1ccc(Cc2cc(on2)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)cc1 |r,THB:9:12:26:14.15|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)c1cc(Cc2ccc(C)cc2)no1 |r,TLB:16:6:1:4.3|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1cc(Cc2ccc(C)cc2)no1 |r,TLB:16:6:1:4.3|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)c1cc(Cc2ccc(Cl)cc2)no1 |r,TLB:16:6:1:4.3|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1cc(Cc2ccc(Cl)cc2)no1 |r,TLB:16:6:1:4.3|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)c1cc(Cc2ccc(F)cc2)no1 |r,TLB:16:6:1:4.3|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1cc(Cc2ccc(F)cc2)no1 |r,TLB:16:6:1:4.3|
COc1ccc(cc1)-c1cc(on1)[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C |r,THB:10:13:27:15.16|
COc1ccc(cc1)-c1cc(on1)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C |r,THB:10:13:27:15.16|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1cc(no1)-c1ccc(C)cc1 |r,TLB:16:6:1:4.3|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1cc(no1)-c1ccc(F)cc1 |r,TLB:16:6:1:4.3|
COc1ccc(cc1)-c1c(C)noc1[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C |r,THB:13:14:28:16.17|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)c1onc(C)c1-c1ccc(F)cc1 |r,TLB:16:6:1:4.3|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)c1cc(no1)-c1ccc(C)cc1 |r,TLB:16:6:1:4.3|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)c1cc(no1)-c1ccc(Cl)cc1 |r,TLB:16:6:1:4.3|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1cc(no1)-c1ccc(Cl)cc1 |r,TLB:16:6:1:4.3|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)c1cc(no1)-c1ccc(F)cc1 |r,TLB:16:6:1:4.3|
COc1ccc(cc1)-c1c(C)noc1[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C |r,THB:13:14:28:16.17|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)c1onc(C)c1-c1ccc(C)cc1 |r,TLB:16:6:1:4.3|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1onc(C)c1-c1ccc(C)cc1 |r,TLB:16:6:1:4.3|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)c1onc(C)c1-c1ccc(Cl)cc1 |r,TLB:16:6:1:4.3|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1onc(C)c1-c1ccc(Cl)cc1 |r,TLB:16:6:1:4.3|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1onc(C)c1-c1ccc(F)cc1 |r,TLB:16:6:1:4.3|
CCOc1ccccc1O[C@H]([C@H]1CNCCO1)c1ccccc1 |r|
CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1ccc(O)cc1C |r|
CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1cccc(C)c1C |r|
CNC[C@H]1OCc2ccccc2[C@H]1Oc1cccc(C)c1C |r|
CNC[C@H]1OCc2ccccc2[C@H]1Oc1ccccc1C(F)(F)F |r|
CNC[C@H]1OCc2ccccc2[C@H]1Oc1ccccc1Cl |r|
CNC[C@H]1COc2ccccc2[C@H]1Oc1ccccc1Cl |r|
CCc1ccccc1O[C@H]1[C@@H](CNC)COc2ccccc12 |r|
CCc1ccccc1O[C@@H]1[C@H](CNC)COc2ccccc12 |r|
CNC[C@@H]1OCc2ccccc2[C@H]1Oc1ccccc1C |r|
CNC[C@@H]1COc2ccccc2[C@H]1Oc1ccccc1C |r|
Cc1ccccc1O[C@H]1[C@@H](CN)OCc2ccccc12 |r|
Cc1ccccc1O[C@H]1[C@@H](CN)COc2ccccc12 |r|
CNC[C@H]1OCc2ccccc2[C@H]1Oc1ccccc1C |r|
CNC[C@H]1COc2ccccc2[C@H]1Oc1ccccc1C |r|
CNC[C@H]1CCc2ccccc2[C@H]1Oc1ccccc1C |r|
C[C@H]1NC[C@@H]2C[C@]12c1cccs1 |r|
C[C@@H]1NC[C@]2(C[C@@H]12)c1cccs1 |r|
C[C@H]1NC[C@]2(C[C@@H]12)c1cccs1 |r|
C1[C@@H]2CNC[C@]12c1cccs1 |r|
C1[C@H]2CNC[C@@]12c1cccs1 |r|
C1C2CNCC12c1cccs1
C1C2CNCC12c1csc2ccccc12
C1C2CNCC12c1cc2ccccc2s1
C1C2CNCC12c1cc2ccccc2o1
C1C2CNCC12c1ccc2ncccc2c1
C1C2CNCC12c1ccc2ccccc2c1
C1C2CNCC12c1ccc(cc1)-c1ccccc1
C1C2CNCC12c1ccc2OCOc2c1
Clc1ccc(cc1Cl)[C@@]12CNC[C@@H]1[C@H]2c1ccccc1 |r|
CN1CC2CC2(C1)c1cccs1
O=C1NCC2CC12c1cccs1
Clc1ccc(s1)[C@]12C[C@H]1CNC2 |r|
Clc1ccc(s1)[C@@]12C[C@@H]1CNC2 |r|
Brc1ccc(s1)C12CC1CNC2
Clc1cc(Cl)c(s1)C12CC1CNC2
Cc1csc(c1)C12CC1CNC2
FC(F)(F)c1ccc(s1)C12CC1CNC2
Brc1ccc(s1)[C@]12C[C@H]1CNC2 |r|
C1[C@H]2CNC[C@@]12c1ccsc1 |r|
C1[C@H]2CNC[C@@]12c1ccc2OCCc2c1 |r|
C1[C@H]2CNC[C@@]12c1ccc2CCCc2c1 |r|
Fc1ccc2sc(cc2c1)[C@@]12C[C@@H]1CNC2 |r|
C1C2CNCC12c1ccccc1
C[C@@H]1[C@H]2CNC[C@@]12c1ccc(Cl)c(Cl)c1 |r|
C[C@H]1[C@H]2CNC[C@@]12c1ccc(Cl)c(Cl)c1 |r|
Clc1ccc(cc1Cl)[C@]12C[C@@H]1CNC2 |r|
Clc1ccc(cc1Cl)[C@]12C[C@H]1CNC2 |r|
C1NC[C@@]2([C@H]1[C@H]2c1ccccc1)c1ccccc1 |r|
CC1(C)C2CNCC12c1ccccc1
FC12CC1(CNC2)c1ccccc1
Fc1ccc(s1)[C@@]12C[C@@H]1CNC2 |r|
Clc1ccc(s1)C12CC1CNC2
N[C@@H]1C[C@H](Oc2ccccc2)c2ccccc12 |r|
Cc1ccccc1O[C@@H]1CC[C@@H](N)c2ccccc12 |r|
CN[C@@H]1CC[C@H](Oc2ccccc2C)c2ccccc12 |r|
Cc1ccccc1O[C@H]1CC[C@@H](N)c2ccccc12 |r|
CN[C@@H]1C[C@H](Oc2ccccc2C)c2ccccc2C1 |r|
CN[C@H]1C[C@@H](Oc2ccccc2C)c2ccccc2C1 |r|
CN[C@H]1C[C@H](Oc2ccccc2C)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@@H](Oc2ccccc2C)c2ccccc2C1 |r|
CN[C@@H]1C[C@@H](Oc2ccccc2C)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@H](Oc2ccccc2C)c2ccccc12 |r|
CN[C@H]1C[C@H](Oc2ccccc2C)c2ccccc12 |r|
Cc1ccccc1O[C@H]1C[C@H](N)c2ccccc12 |r|
CC(C)N(C)[C@@H]1C[C@H](Oc2ccccc2C)c2ccccc12 |r|
CCN(CC)[C@@H]1C[C@H](Oc2ccccc2C)c2ccccc12 |r|
CCN[C@@H]1C[C@H](Oc2ccccc2C)c2ccccc12 |r|
COc1ccccc1O[C@H]1C[C@@H](N(C)C)c2ccccc12 |r|
CN(C)[C@@H]1C[C@H](Oc2ccccc2C)c2ccccc12 |r|
CN[C@@H]1C[C@H](Oc2ccccc2C)c2ccccc12 |r|
COc1ccc(O[C@H]2C[C@@H](N(C)C)c3ccccc23)cc1 |r|
CN(C)[C@@H]1C[C@H](Oc2ccc(Cl)cc2)c2ccccc12 |r|
CN[C@@H]1C[C@H](Oc2ccc(Cl)cc2)c2ccccc12 |r|
N[C@@H]1C[C@H](Oc2ccc(Cl)cc2)c2ccccc12 |r|
CN(C)[C@@H]1C[C@H](Oc2ccccc2)c2ccccc12 |r|
CN[C@@H]1C[C@H](Oc2ccccc2)c2ccccc12 |r|
CCOc1ccccc1N1CCN(CCCCn2nc(ccc2=O)-n2ccnc2)CC1
CC(C)Oc1ccccc1N1CCN(CCCCn2nc(ccc2=O)-n2ccnc2)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCCn2nc(ccc2=O)-n2ccnc2)CC1
CCOc1ccccc1N1CCN(CCCCn2nc(ccc2=O)-n2ccc3ccccc23)CC1
CC(C)Oc1ccccc1N1CCN(CCCCn2nc(ccc2=O)-n2ccc3ccccc23)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCCn2nc(ccc2=O)-n2ccc3ccccc23)CC1
O=c1ccc(nn1CCCCN1CCN(CC1)c1ncccn1)-n1ccnc1
O=c1ccc(nn1CCCCN1CCN(CC1)c1ncccn1)-n1ccc2ccccc12
O=c1ccc(nn1CCCCN1CCN(CC1)c1ccc2OCCOc2c1)-n1ccnc1
O=c1ccc(nn1CCCCN1CCN(CC1)c1ccc2OCCOc2c1)-n1ccc2ccccc12
COc1ccccc1N1CCN(CC1)C(=O)CCCn1nc(ccc1=O)-n1ccnc1
CCOc1ccccc1N1CCN(CC1)C(=O)CCCn1nc(ccc1=O)-n1ccnc1
CC(C)Oc1ccccc1N1CCN(CC1)C(=O)CCCn1nc(ccc1=O)-n1ccnc1
COc1ccccc1N1CCN(CCNC(=O)Cn2nc(ccc2=O)-n2ccnc2)CC1
CCOc1ccccc1N1CCN(CCNC(=O)Cn2nc(ccc2=O)-n2ccnc2)CC1
CC(C)Oc1ccccc1N1CCN(CCNC(=O)Cn2nc(ccc2=O)-n2ccnc2)CC1
CNCCC(c1ccccc1)n1ccc2ccccc12
CNCC[C@@H](N1C(=O)C(C)(C)c2cccc(F)c12)c1ccccc1 |r|
CNCC[C@@H](N1C(=O)C(C)(C)c2cccc(F)c12)c1cccc(F)c1 |r|
CNCC[C@@H](N1C(=O)C(C)(C)c2cccc(F)c12)c1cc(F)cc(Cl)c1 |r|
CNCC[C@@H](N1C(=O)C(C)(C)c2cccc(F)c12)c1cccc(Cl)c1 |r|
CNCC[C@@H](N1C(=O)C(C)(C)c2cccc(F)c12)c1cc(F)cc(F)c1 |r|
CNCC[C@@H](N1C(=O)C(C)(C)c2ccccc12)c1ccccc1 |r|
CNCC[C@H](N1C(=O)C(C)(C)c2ccccc12)c1ccccc1 |r|
CNCC[C@@H](N1C(=O)C2(CCCCC2)c2ccccc12)c1cccc(F)c1 |r|
CNCC[C@@H](N1C(=O)C2(CCCCC2)c2ccccc12)c1ccccc1 |r|
CNCC[C@H](N1C(=O)C2(CCCCC2)c2ccccc12)c1cccc(F)c1 |r|
CNCC[C@H](N1C(=O)C2(CCCCC2)c2ccccc12)c1ccccc1 |r|
NC(=O)c1ccc(Cl)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
NC(=O)c1cccc2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
CNC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
CNC(=O)c1ccc(F)c2OC[C@@H](Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1 |r|
COC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
OC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
CCNC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
CCCNC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
CC(C)NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
Fc1ccc2[nH]cc(CCCN(C3CCC3)C3COc4c(F)ccc(C(=O)NC5CC5)c4C3)c2c1
Fc1ccc2[nH]cc(CCCN(C3CCC3)C3COc4c(F)ccc(C(=O)NC5CCC5)c4C3)c2c1
Fc1ccc2[nH]cc(CCCN(C3CCC3)C3COc4c(F)ccc(C(=O)NC5CCCCC5)c4C3)c2c1
Fc1ccc2[nH]cc(CCCN(C3CCC3)C3COc4c(F)ccc(C(=O)NCC5CC5)c4C3)c2c1
CN(C)C(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(cc12)C#N)C1CCC1
COc1ccc2[nH]cc(CCCN(C3CCC3)C3COc4c(F)ccc(C(N)=O)c4C3)c2c1
NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(Cl)cc12)C1CCC1
NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2cc(F)ccc12)C1CCC1
COc1cccc2c(CCCN(C3CCC3)C3COc4c(F)ccc(C(N)=O)c4C3)c[nH]c12
NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2c(Cl)cccc12)C1CCC1
NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2c(F)cc(F)cc12)C1CCC1
CCCN(CCCCn1ccc2c(F)cccc12)C1COc2c(F)ccc(C(N)=O)c2C1
CCCN(CCCCn1ccc2cc(F)ccc12)C1COc2c(F)ccc(C(N)=O)c2C1
CCCN(CCCCn1ccc2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
CCCN(CCCCn1ccc2cccc(F)c12)C1COc2c(F)ccc(C(N)=O)c2C1
NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCCn1ccc2c(F)cccc12)CC1CC1
NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCCn1ccc2cc(F)ccc12)CC1CC1
NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCCn1ccc2ccc(F)cc12)CC1CC1
NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCCn1ccc2cccc(F)c12)CC1CC1
NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCCn1ccc2c(F)cccc12)C1CCC1
NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCCn1ccc2cc(F)ccc12)C1CCC1
NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCCn1ccc2ccc(F)cc12)C1CCC1
NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCCn1ccc2cccc(F)c12)C1CCC1
NC(=O)c1ccc(F)c2OC[C@@H](Cc12)NCC1CCc2[nH]c3ccc(F)cc3c2C1 |r|
CCCN(CC1CCc2[nH]c3ccc(F)cc3c2C1)[C@H]1COc2c(F)ccc(C(N)=O)c2C1 |r|
NC(=O)c1ccc(F)c2OC[C@@H](Cc12)N(CC1CC1)CC1CCc2[nH]c3ccc(F)cc3c2C1 |r|
CC(CCc1c[nH]c2ccc(F)cc12)N(CC1CC1)C1COc2c(F)ccc(C(N)=O)c2C1
CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(OC)c2C1
CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(OC)c2C1 |r|
CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@@H]1COc2c(F)ccc(OC)c2C1 |r|
CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(=O)NC)c2C1
CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(C(=O)NC)c2C1 |r|
CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2cccc(C(N)=O)c2C1 |r|
NCC1c2ccccc2Cc2cc(Br)ccc12
CCCCCCc1ccc2C(CN)c3ccccc3Cc2c1
CCn1c2ccccc2n([C@H](CCNC)c2ccccc2)c1=O |r|
CNCC[C@H](c1ccccc1)n1c2ccccc2n(C2CC2)c1=O |r|
CCCn1c2ccccc2n([C@H](CCNC)c2ccccc2)c1=O |r|
CNCC[C@H](c1ccccc1)n1c2c(F)cccc2n(C(C)C)c1=O |r|
CNCC[C@H](c1ccccc1)n1c2ccccc2n(-c2ccccc2)c1=O |r|
CNCC[C@H](c1ccccc1)n1c2c(F)cccc2n(-c2ccccc2F)c1=O |r,wU:4.11,(7.94,-18.99,;6.61,-19.76,;5.27,-18.98,;3.95,-19.76,;2.61,-18.99,;2.61,-17.45,;3.94,-16.69,;3.94,-15.15,;2.6,-14.38,;1.27,-15.16,;1.28,-16.7,;1.28,-19.76,;-.08,-19.19,;-.5,-17.7,;.58,-16.59,;-1.99,-17.32,;-3.06,-18.42,;-2.65,-19.91,;-1.15,-20.29,;-.38,-21.62,;-1,-23.03,;-2.54,-23.19,;-3.16,-24.6,;-2.25,-25.84,;-.71,-25.67,;-.1,-24.27,;1.43,-24.09,;1.12,-21.3,;2.27,-22.33,)|
CNCC[C@H](c1ccccc1)n1c2ccccc2sc1=O |r|
CNCC[C@@H](c1ccccc1)n1c2ccccc2n(-c2ccccc2)c1=O |r|
CNCC[C@@H](c1ccccc1)n1c2c(F)cccc2n(C(C)C)c1=O |r|
CCCn1c2ccccc2n([C@@H](CCNC)c2ccccc2)c1=O |r|
c1ccc(cc1)[C@@H](CCN)Oc2ccc(cc2)C(F)(F)F
COc1ccc(cc1OC)C1=NN(CCCCCNCC[C@H](Oc2ccc(cc2)C(F)(F)F)c2ccccc2)C(=O)C2CC=CCC12 |r,c:46,t:11|
COc1ccc(cc1OC)C1=NN(CCCCCNCC[C@@H](Oc2ccc(cc2)C(F)(F)F)c2ccccc2)C(=O)C2CC=CCC12 |r,c:46,t:11|
CNCC[C@@H](c1cccs1)c1cccc2ccccc12 |r|
CNCC[C@H](c1cccs1)c1cccc2ccccc12 |r|
CNCCC[C@@H](c1cccs1)c1cccc2ccccc12 |r|
CNCCC[C@H](c1cccs1)c1cccc2ccccc12 |r|
CNCC[C@@H](c1cccs1)c1cccc2[nH]ccc12 |r|
CNCC[C@H](c1cccs1)c1cccc2[nH]ccc12 |r|
CNCCC[C@@H](c1cccs1)c1cccc2[nH]ccc12 |r|
CNCCC[C@H](c1cccs1)c1cccc2[nH]ccc12 |r|
CNCC[C@@H](c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 |r|
CNCC[C@H](c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 |r|
CNCCC[C@@H](c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 |r|
CNCCC[C@H](c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 |r|
CNCC[C@@H](c1ccc(Cl)c(Cl)c1)c1cccc2[nH]ccc12 |r|
CNCC[C@H](c1ccc(Cl)c(Cl)c1)c1cccc2[nH]ccc12 |r|
CNCCC[C@@H](c1ccc(Cl)c(Cl)c1)c1cccc2[nH]ccc12 |r|
CNCCC[C@H](c1ccc(Cl)c(Cl)c1)c1cccc2[nH]ccc12 |r|
Cc1ccccc1S[C@H]([C@@H]1CNCCO1)c1ccccc1 |r|
FCCCc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 |r|
FCCc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 |r|
Cc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 |r|
CS(=O)(=O)Nc1ccc(cc1)OC[C@H](CNCCc2ccc(c(c2)Cl)Cl)O
CN(C)CCC1=C(C)Cc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12 |c:5|
CN(C)CCC1=CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12 |t:5|
Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1cccc(F)c1
CCCN(CCC)CCc1ccc(c(c1)OCCc2ccccc2)OC
Fc1ccc(cc1)N(CCCN1CCN(C[C@H](Cc2ccccc2)OC(=O)Cc2ccccc2)CC1)c1ccc(F)cc1 |r|
Fc1ccc(cc1)N(CCCN1CCN(C[C@H](Cc2ccccc2)OC(=O)C=C)CC1)c1ccc(F)cc1 |r|
CCCC(=O)O[C@H](CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
CCC(=O)O[C@H](CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
CC(=O)O[C@H](CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
O[C@@H](CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
O[C@H](CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
Fc1ccc(cc1)N(CCCN1CCN(CCC(OC(=O)CCCc2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)N(CCCN1CCN(CCC(OC(=O)CCc2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)N(CCCN1CCN(CCC(OC(=O)Cc2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)N(CCCN1CCN(CCC(OC(=O)C=C)c2ccccc2)CC1)c1ccc(F)cc1
CC(C)C(=O)OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
CCC(=O)OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
CC(=O)OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
NC[C@@H]1C[C@@]1(C(=O)N(CC=C)CC=C)c1cccs1 |r|
NC[C@@H]1C[C@@]1(C(=O)N1Cc2ccccc2C1)c1cccs1 |r|
NC[C@@H]1C[C@@]1(C(=O)N(CC=C)Cc1nccs1)c1cccs1 |r|
NC[C@@H]1C[C@@]1(C(=O)N(CC#C)CC#C)c1cccs1 |r|
CCN(CC)C(=O)[C@@]1(C[C@H]1CN)c1ccccc1 |r|
NC[C@@H]1C[C@@]1(C(=O)N(CC=C)C1CC1)c1cccs1 |r|
CCN(CC#C)C(=O)[C@]1(C[C@H]1CN)c1cccs1 |r|
CCN(CC(F)=C)C(=O)[C@]1(C[C@H]1CN)c1cccs1 |r|
CCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1cccs1 |r|
NCC1CCC(O1)c1ccccc1
NCC1CCC(O1)c1ccc(Cl)cc1
NCC1CCC(O1)c1ccc(Br)cc1
COc1ccc(cc1)C1CCC(CN)O1
CC(C)(C)c1ccc(cc1)C1CCC(CN)O1
NCC1CCC(O1)c1ccc2ccccc2c1
NCC1CCC(O1)c1cccc2ccccc12
NCC1CCC(CCc2ccccc2)O1
NCC1CCC(CCc2cccc3ccccc23)O1
NCC1CCC(CCc2c(F)c(F)c(F)c(F)c2F)O1
NCC1CCC(CCc2cccnc2)O1
NCCC1CCC(Cc2ccccc2)O1
Cc1cc(CCC2CCC(CCN)O2)ccc1F
NCCC1CCC(CCc2ccc(O)cc2)O1
NCCC1CCC(O1)c1ccco1
COc1ccc(F)cc1[C@H]1CC[C@H](CN)O1 |r|
COc1ccc(F)cc1C1CCC(CN)O1
COc1ccc(F)cc1[C@H]1CC[C@H](CCN)O1 |r|
COc1ccc(F)cc1[C@@H]1CC[C@H](CCN)O1 |r|
COc1ccc(F)cc1C[C@H]1CC[C@H](CN)O1 |r|
COc1ccc(F)cc1C[C@@H]1CC[C@H](CN)O1 |r|
COc1ccc(F)cc1C[C@H]1CC[C@H](CCN)O1 |r|
COc1ccc(F)cc1C[C@@H]1CC[C@H](CCN)O1 |r|
COc1ccc(F)cc1CC[C@H]1CC[C@H](CN)O1 |r|
COc1ccc(F)cc1CC[C@@H]1CC[C@H](CN)O1 |r|
COc1ccc(F)cc1CC[C@H]1CC[C@H](CCN)O1 |r|
COc1ccc(F)cc1CC[C@@H]1CC[C@H](CCN)O1 |r|
COc1ccc(F)cc1CCC[C@H]1CC[C@H](CN)O1 |r|
COc1ccc(F)cc1CCC[C@@H]1CC[C@H](CN)O1 |r|
COc1ccc(F)cc1CCCC[C@H]1CC[C@H](CN)O1 |r|
COc1ccc(F)cc1CCCCC1CCC(CCN)O1
COc1ccc(CCC2CCC(CCN)O2)c2ccccc12
COc1ccc2ccccc2c1CCC1CCC(CCN)O1
CCN(CC)CCn1c2ccccc2c(=O)c2ccccc12
CCN(CC)CCCn1c2ccccc2c(=O)c2ccccc12
CCN(CC)CCCCn1c2ccccc2c(=O)c2ccccc12
CCN(CC)CCCCCn1c2ccccc2c(=O)c2ccccc12
CCN(CC)CCCCCCn1c2ccccc2c(=O)c2ccccc12
CNC[C@@H](O)[C@@H](N(C)c1ccccc1)c1ccccc1 |r|
CNC[C@@H](O)[C@@H](N(C)c1cccc(C)c1)c1ccccc1 |r|
CNC[C@@H](O)[C@@H](N(C)c1ccc(C)cc1)c1ccccc1 |r|
CNC[C@@H](O)[C@@H](N(C)c1ccc(F)cc1)c1ccccc1 |r|
CNC[C@@H](O)[C@@H](N(C)c1ccccc1Cl)c1ccccc1 |r|
CNC[C@@H](O)[C@@H](N(C)c1cccc(Cl)c1)c1ccccc1 |r|
CNC[C@@H](O)[C@@H](N(C)c1ccc(Cl)cc1)c1ccccc1 |r|
CNC[C@@H](O)[C@@H](N(C)c1ccccc1OC)c1ccccc1 |r|
CNC[C@@H](O)[C@@H](N(C)c1cccc(OC)c1)c1ccccc1 |r|
CNC[C@@H](O)[C@@H](N(C)c1ccc(OC)cc1)c1ccccc1 |r|
CNC[C@@H](O)[C@@H](N(C)c1cccc2ccccc12)c1ccccc1 |r|
CNC[C@@H](O)[C@@H](N(C)c1ccccc1)c1cccc(Cl)c1 |r|
CNC[C@@H](O)[C@@H](N(C)c1ccccc1)c1ccc(Cl)cc1 |r|
CNC[C@@H](O)[C@@H](N(C)c1ccccc1)c1ccc(OC)cc1 |r|
CN([C@H]([C@H](O)CN)c1ccccc1)c1ccccc1 |r|
CN([C@H]([C@H](O)CN)c1cccc(F)c1)c1ccccc1 |r|
COc1ccc(cc1)[C@@H]([C@H](O)CN)N(C)c1ccccc1 |r|
CNC[C@@H](O)[C@H](N(C)c1ccccc1)c1ccccc1 |r|
CC(NC(C)(C)C)C(O)c1ccccc1
CC(NC(C)(C)C)C(=O)c1ccccc1
CC(C)(C)NC(CCC1CCCCC1)C(=O)c1cccc(Cl)c1
CC(C)CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
CC(NC1CCC1)C(=O)c1cccc(Cl)c1
CC(C)(C)NC1CCc2ccc(Cl)cc2C1=O
CC1N(Cc2ccc(Cl)cc2C1=O)C(C)(C)C
CCN(CC)C(C)C(=O)c1cccc(Cl)c1
CC(C)NC(C)C(=O)c1cccc(Cl)c1
CCCCCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
CCCCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
CCCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
CC(NC(C)(C)C)C(=O)c1cc(F)cc(F)c1
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(SC)cc1)N2C |r,TLB:11:10:19:7.6,THB:2:4:19:7.6|
CCSc1ccc(cc1)[C@H]1CC2CCC([C@H]1C(=O)OC)N2C |r,TLB:6:9:20:12.13,THB:16:15:20:12.13|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(SC(C)C)cc1)N2C |r,TLB:11:10:21:7.6,THB:2:4:21:7.6|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(SC(F)(F)F)cc1)N2C |r,TLB:11:10:22:7.6,THB:2:4:22:7.6|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(SC)c(Br)c1)N2C |r,TLB:11:10:20:7.6,THB:2:4:20:7.6|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(c(Br)c1)S(C)=O)N2C |r,TLB:11:10:21:7.6,THB:2:4:21:7.6|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)S(C)=O)N2C |r,TLB:11:10:20:7.6,THB:2:4:20:7.6|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)S(C)(=O)=O)N2C |r,TLB:11:10:21:7.6,THB:2:4:21:7.6|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(SC)cc1)N2 |r,TLB:11:10:19:7.6,THB:2:4:19:7.6|
CCSc1ccc(cc1)[C@H]1CC2CCC(N2)[C@H]1C(=O)OC |r,TLB:6:9:15:12.13,THB:17:16:15:12.13|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(SC)cc1)N2CCCF |r,TLB:11:10:19:7.6,THB:2:4:19:7.6|
CCSc1ccc(cc1)[C@H]1CC2CCC([C@H]1C(=O)OC)N2CCCF |r,TLB:6:9:20:12.13,THB:16:15:20:12.13|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(SC)cc1)N2CC=C |r,TLB:11:10:19:7.6,THB:2:4:19:7.6|
CCSc1ccc(cc1)[C@H]1CC2CCC([C@H]1C(=O)OC)N2CC=C |r,TLB:6:9:20:12.13,THB:16:15:20:12.13|
CCCN1C2CCC1[C@H]([C@H](C2)c1ccc(SC)cc1)C(=O)OC |r,TLB:19:8:3:5.6,THB:11:9:3:5.6|
CCCN1C2CCC1[C@H]([C@H](C2)c1ccc(SCC)cc1)C(=O)OC |r,TLB:20:8:3:5.6,THB:11:9:3:5.6|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(OC)cc1)N2C |r,TLB:11:10:19:7.6,THB:2:4:19:7.6|
CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1ccccc1C#N
CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1ccc(CCC(O)=O)cc1C#N |r|
CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1ccc(CCC(O)=O)cc1 |r|
CCOC(=O)CCc1ccc(OC[C@H](O)CNC(C)(C)Cc2ccc3ccccc3c2)c(c1)C#N |r|
Fc1ccc2[nH]c3CC(CNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)CCc3c2c1 |r|
Fc1ccc2[nH]c3CC(CCNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)CCc3c2c1 |r|
Fc1ccc2[nH]c3CC(CCCNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)CCc3c2c1 |r|
Fc1ccc2[nH]c3CCC(CNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)Cc3c2c1 |r|
Fc1ccc2[nH]c3CCC(CCNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)Cc3c2c1 |r|
Fc1ccc2[nH]c3CC(CN4CCN(CC4)c4cccc5[nH]c(=O)oc45)CCc3c2c1
Fc1ccc2[nH]c3CC(CCCN4CCN(CC4)c4cccc5[nH]c(=O)oc45)CCc3c2c1
Fc1ccc2[nH]c3CCC(CN4CCN(CC4)c4cccc5[nH]c(=O)oc45)Cc3c2c1
Fc1ccc2[nH]c3CCC(CN4CCC(CC4)Oc4cccc5[nH]c(=O)oc45)Cc3c2c1
Fc1ccc2[nH]c3CCC(CCN4CCC(CC4)Oc4cccc5[nH]c(=O)oc45)Cc3c2c1
Fc1ccc2[nH]c3CCC(CN4CCC(COc5cccc6[nH]c(=O)oc56)CC4)Cc3c2c1
Fc1ccc2[nH]c3CCC(CCN4CCC(COc5cccc6[nH]c(=O)oc56)CC4)Cc3c2c1
Fc1ccc2[nH]c3CCC(CN4CCN(Cc5cccc6[nH]c(=O)oc56)CC4)Cc3c2c1
Fc1ccc2[nH]c3CCC(CN4CCN(CC4)c4cccc5NC(=O)Cc45)Cc3c2c1
Fc1ccc2[nH]c3CCC(CN4C[C@H]5C[C@@H]4CN5c4cccc5[nH]c(=O)oc45)Cc3c2c1 |r|
Fc1ccc2[nH]c3CCC(CN4C[C@H]5C[C@@H]4CN5c4cccc5[nH]c(=O)oc45)Cc3c2c1 |r,THB:18:17:11.12:14,10:11:14:16.17|
C1CC2NC1CC(=C2)c1ccccc1 |c:7,TLB:8:6:3:0.1|
Fc1ccc(cc1)C1=CC2CCC(C1)N2 |t:8,TLB:4:7:14:11.10|
Clc1ccc(cc1)C1=CC2CCC(C1)N2 |t:8,TLB:4:7:14:11.10|
FC(F)(F)c1ccc(cc1)C1=CC2CCC(C1)N2 |t:11,TLB:7:10:17:14.13|
Clc1ccc(cc1Cl)C1=CC2CCC(C1)N2 |t:9,TLB:4:8:15:12.11|
C(OC1(CC2CCC(C1)N2)c1ccccc1)c1ccccc1 |TLB:1:2:9:5.6,THB:10:2:9:5.6|
Clc1ccc(COC2(CC3CCC(C2)N3)c2ccccc2)cc1 |TLB:6:7:14:10.11,THB:15:7:14:10.11|
Clc1ccc(COC2(CC3CCC(C2)N3)c2ccccc2)cc1Cl |TLB:6:7:14:10.11,THB:15:7:14:10.11|
Clc1ccc(cc1)C1(CC2CCC(C1)N2)OCc1ccccc1 |TLB:15:7:14:10.11,THB:4:7:14:10.11|
Clc1ccc(COC2(CC3CCC(C2)N3)c2ccc(Cl)cc2)cc1 |TLB:6:7:14:10.11,THB:15:7:14:10.11|
Clc1ccc(COC2(CC3CCC(C2)N3)c2ccc(Cl)c(Cl)c2)cc1 |TLB:6:7:14:10.11,THB:15:7:14:10.11|
FC(F)(F)c1ccc(cc1)C1(CC2CCC(C1)N2)OCc1ccccc1 |TLB:18:10:17:13.14,THB:7:10:17:13.14|
Clc1ccc(cc1Cl)C1(CC2CCC(C1)N2)OCc1ccccc1 |TLB:16:8:15:11.12,THB:4:8:15:11.12|
Clc1ccc(COC2(CC3CCC(C2)N3)c2ccc(Cl)c(Cl)c2)cc1Cl |TLB:6:7:14:10.11,THB:15:7:14:10.11|
NCC[C@@H](Oc1cccc2ccccc12)c1cccs1 |r|
NCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r|
COc1ccc(cc1OC)C1=NN(CCCCCNCC[C@@H](Oc2cccc3ccccc23)c2cccs2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:46,t:11|
COc1ccc(cc1OC)C1=NN(CCCCCNCC[C@H](Oc2cccc3ccccc23)c2cccs2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:46,t:11|
COc1ccc(cc1OC)C1=NNC(=O)[C@@H]2CC=CC[C@H]12 |r,c:18,t:11|
COc1ccc(cc1OC)C1=NN(CCCCCBr)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:24,t:11|
COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
CN1[C@H](C[C@H](OC(C)=O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 |r|
CN1[C@H](C[C@H](OS(=O)(=O)c2ccccc2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 |r|
CN1[C@H](C[C@H](OS(=O)(=O)c2cccs2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 |r|
CN1[C@H](C[C@H](OS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 |r|
CN1[C@H](C[C@H](OS(=O)(=O)c2cccc3ccccc23)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 |r|
CN1[C@H](C[C@H](OS(=O)(=O)c2ccc(C)cc2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 |r|
CCCC(=O)O[C@@H](C[C@@H]1CCC[C@H](CC(=O)c2ccccc2)N1C)c1ccccc1 |r|
CN1[C@H](C[C@H](OC(=O)c2cccs2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 |r|
CC(C)S(=O)(=O)O[C@@H](C[C@@H]1CCC[C@H](CC(=O)c2ccccc2)N1C)c1ccccc1 |r|
CN1[C@H](C[C@H](OS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 |r|
CCC(=O)O[C@@H](C[C@@H]1CCC[C@H](CC(=O)c2ccccc2)N1C)c1ccccc1 |r|
CN1[C@H](C[C@H](OS(=O)(=O)c2ccc(F)cc2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 |r|
CN1[C@H](C[C@H](OS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 |r|
CN1[C@H](C[C@H](OC(=O)c2ccccc2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 |r|
CCCCS(=O)(=O)O[C@@H](C[C@@H]1CCC[C@H](CC(=O)c2ccccc2)N1C)c1ccccc1 |r|
CN1[C@H](C[C@H](OS(=O)(=O)Cc2ccccc2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 |r|
COc1ccc(cc1)C(=O)O[C@@H](C[C@@H]1CCC[C@H](CC(=O)c2ccccc2)N1C)c1ccccc1 |r|
CN1[C@H](C[C@H](OC(=O)c2ccc(C)cc2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 |r|
CC(C)C(=O)O[C@@H](C[C@@H]1CCC[C@H](CC(=O)c2ccccc2)N1C)c1ccccc1 |r|
CNCCCN1Cc2ccccc2N(c2ccccc2)S1(=O)=O
CNCCCN1Cc2ccccc2N(c2ccccc2F)S1(=O)=O
CNCCCCN1Cc2ccccc2N(c2ccccc2F)S1(=O)=O
CNCCN1Cc2cc(F)ccc2N(c2ccccc2F)S1(=O)=O
CNCCCN1Cc2cc(F)ccc2N(c2ccccc2F)S1(=O)=O
CNCCCCN1Cc2cc(F)ccc2N(c2ccccc2F)S1(=O)=O
CNCCCC1Cc2ccccc2N(c2ccccc2)S1(=O)=O
CNCCCC1Cc2ccccc2N(c2c(F)cccc2F)S1(=O)=O
CNCCCC1Cc2cc(F)ccc2N(c2ccccc2)S1(=O)=O
CNCCCC1Cc2cc(F)ccc2N(c2ccccc2F)S1(=O)=O
CNCCCC1Cc2cc(F)ccc2N(c2c(F)cccc2F)S1(=O)=O
Oc1ccccc1C[C@@H](N1CCNCC1)c1ccccc1 |r|
CC(C)Oc1ccccc1CC(N1CCNCC1)c1ccccc1
C(C(N1CCNCC1)c1ccccc1)c1ccccc1OC1CC1
C(Oc1ccccc1CC(N1CCNCC1)c1ccccc1)C1CC1
C(C(N1CCNCC1)c1ccccc1)c1cccc2CCOc12
FC(F)Oc1ccccc1CC(N1CCNCC1)c1ccccc1
COc1c(F)cccc1CC(N1CCNCC1)c1ccccc1
COc1cccc(F)c1CC(N1CCNCC1)c1ccccc1
FC(F)Oc1cccc(F)c1CC(N1CCNCC1)c1ccccc1
COc1ccccc1CC(N1CCNCC1)c1ccccc1F
COc1ccccc1CC(N1CCNCC1)c1cccc(F)c1
COc1ccccc1CC(N1CCNCC1)c1ccc(F)cc1
FC(F)Oc1ccccc1CC(N1CCNCC1)c1ccccc1F
FC(F)Oc1ccccc1CC(N1CCNCC1)c1cccc(F)c1
FC(F)Oc1ccccc1CC(N1CCNCC1)c1ccc(F)cc1
Fc1ccccc1C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
Fc1cccc(c1)C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
Fc1ccc(cc1)C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
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,)|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(F)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Br)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7|
CN(C)CCC(c1ccc2ccccc2c1)n1ncnn1
CN(C)CCC(c1ccc(Cl)c(Cl)c1)n1ncnn1
CNCCC(c1ccc(Cl)c(Cl)c1)n1ncnn1
CNCC[C@@H](c1ccc(Cl)c(Cl)c1)n1nnc(C)n1 |r|
CNCC[C@@H](c1ccc(Cl)c(Cl)c1)n1nnc(n1)-n1nccn1 |r|
CNCCC(c1ccc2ccccc2c1)n1ncnn1
Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
NC(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1
NC(=O)CS(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
NC(=O)CS(=O)C(c1ccc(Br)cc1)c1ccc(Br)cc1
CN(C)C(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1
CN(C)C(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN(C)C(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1
CN(C)C(=O)CS(=O)C(c1ccc(F)cc1)c1ccc(F)cc1
CN(C)C(=O)CS(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN(C)C(=O)CS(=O)C(c1ccc(Br)cc1)c1ccc(Br)cc1
CNC(=O)CS(=O)C(c1ccc(Br)cc1)c1ccc(Br)cc1
CN(C)CCS(=O)C(c1ccccc1)c1ccccc1
CN(C)CCS(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(C)c(F)c1)N2 |r|
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(Cl)c(C)c1)N2C |r,TLB:20:19:6.7:4.10.9|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)c(C)c1)c1cc(no1)-c1ccccc1 |r,TLB:0:1:4.3:6.7.8|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)c(C)c1)c1cc(C)no1 |r,TLB:0:1:4.3:6.7.8|
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)c(C)c1)N2 |r|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1nc2cc(C)c(C)cc2[nH]1 |r,TLB:0:1:4.3:6.7.8|
COc1ccc(cc1)-c1cc(on1)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2C |r,TLB:28:27:15.16:13.19.18|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1cc(no1)-c1ccc(Cl)cc1 |r,TLB:0:1:4.3:6.7.8|
CCc1cc(on1)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C |r,TLB:22:21:9.10:7.13.12|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)C(=O)OC1CCC1 |r,TLB:0:1:4.3:6.7.8|
CC(C)OC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C |r,TLB:21:20:8.9:6.12.11|
CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(Cc3ccccc3)CC2)O1 |r|
COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CC3CCCCC3)CC2)O1
CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(CC(C)C)CC2)O1 |r|
COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CCC(C)C)CC2)O1
CCCCCCCCN1CCC2(CC1)OC(Cc1c2cnn1-c1ccccc1)OC
COC(=O)C1=C(CC2CCC1O2)c1nccs1 |t:4|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1cc3ccccc3[nH]1)O2 |r|
COC(=O)C1=C(CC2CCC1O2)c1ccc(cc1)-c1ccco1 |t:4|
COC(=O)C1=C(CC2CCC1O2)c1ccc(cc1)-c1cccs1 |t:4|
COC(=O)C1=C(CC2CCC1O2)c1ccc(cc1)-c1cccn1C |t:4|
COC(=O)C1=C(CC2CCC1O2)c1ccc(cc1)-c1nccs1 |t:4|
COC(=O)C1=C(CC2CCC1O2)c1cccc(c1)-c1ccco1 |t:4|
COC(=O)C1=C(CC2CCC1O2)c1cccc(c1)-c1cccs1 |t:4|
COC(=O)C1=C(CC2CCC1O2)c1cccc(c1)-c1cccn1C |t:4|
COC(=O)C1=C(CC2CCC1O2)c1cccc(c1)-c1nccs1 |t:4|
COC(=O)C1=C(CC2CCC1O2)c1cnc(s1)-c1cccc(Br)c1 |t:4|
COC(=O)C1=C(CC2CCC1O2)c1cc2ccccc2o1 |t:4|
COC(=O)C1=C(CC2CCC1O2)c1nc2ccccc2o1 |t:4|
COC(=O)C1=C(CC2CCC1O2)c1nc2ccccc2s1 |t:4|
COC(=O)C1=C(CC2CCC1O2)c1cc2ccccc2s1 |t:4|
COC(=O)C1=C(CC2CCC1O2)c1cc2ccccc2[nH]1 |t:4|
COC(=O)C1=C(CC2CCC1O2)c1cccs1 |t:4|
COC(=O)C1=C(CC2CCC1O2)c1ccco1 |t:4|
COC(=O)C1=C(CC2CCC1O2)c1cccn1C |t:4|
COC(=O)C1=C(CC2CCC1O2)c1ccc(o1)-c1ccccc1 |t:4|
COC(=O)C1=C(CC2CCC1O2)c1ccc(s1)-c1ccccc1 |t:4|
COC(=O)C1=C(CC2CCC1O2)c1ccc(-c2ccccc2)n1C |t:4|
O=C1C2=C(CC3CCC2O3)c2cc3ccccc3n12 |t:2|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(cc1)-c1ccco1)O2 |r|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(cc1)-c1cccs1)O2 |r|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(cc1)-c1cccn1C)O2 |r|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(cc1)-c1nccs1)O2 |r|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccco1)O2 |r|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1cccn1C)O2 |r|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1cccc(c1)-c1ccco1)O2 |r|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1cccc(c1)-c1cccs1)O2 |r|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1cccc(c1)-c1cccn1C)O2 |r|
COC(=O)[C@H]1C2CCC(C[C@H]1c1cccc(c1)-c1nccs1)O2 |r|
COC(=O)[C@H]1C2CCC(C[C@H]1c1cc3ccccc3o1)O2 |r|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1cc3ccccc3s1)O2 |r|
COC(=O)[C@H]1C2CCC(C[C@@H]1c1cc3ccccc3s1)O2 |r|
COC(=O)[C@H]1C2CCC(C[C@H]1c1cc3ccccc3[nH]1)O2 |r|
COC(=O)[C@H]1C2CCC(C[C@@H]1c1cc3ccccc3[nH]1)O2 |r|
COC(=O)[C@H]1C2CCC(C[C@H]1c1ccc(s1)-c1ccccc1)O2 |r|
COC(=O)[C@H]1C2CCC(C[C@H]1c1ccc(o1)-c1ccccc1)O2 |r|
COC(=O)[C@H]1C2CCC(C[C@@H]1c1cccs1)O2 |r|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1cccs1)O2 |r|
Nc1c2CCCCc2nc2cccc(N3CCN(CCCCc4c[nH]c5ccc(cc45)C#N)CC3)c12
Nc1c2CCCc2nc2cccc(N3CCN(CCCCc4c[nH]c5ccc(cc45)C#N)CC3)c12
COC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3cccc4nc5CCCCc5c(N)c34)c2c1
COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3cccc4nc5CCCCc5c(N)c34)c2c1
C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(F)cc1
C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(cc1)[N+]([O-])=O |r|
O=C(NC1CCCC1)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1
CN(C)C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1
C[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 |r|
C[C@H]1CCCN1C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 |r|
C[C@@H]1CCCN1CCN1CCc2cc(ccc2C1=O)-c1ccc(cc1)C(=O)N1CCCC1 |r|
CCNC(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCC[C@H]3C)CCc2c1 |r|
C[C@@H]1[C@H]2CN(CCC3(CCCCC3)C(O)=O)CC[C@@H]2Cc2[nH]c3ccc(cc3c12)C(F)(F)F |r|
C(N1CCCC1)c1ccccc1
Fc1cccc(CN2CCCC2)c1
COc1ccc(CN2CCCC2)cc1OC
C(Cc1ccccn1)N1CCCC1
C(N1C2CCC1CC2)c1ccccc1
Fc1cccc(CN2C3CCC2CC3)c1
Fc1cccc(CCCN2CCCC2)c1
C(Cc1ccccc1)N1CCCC1
Fc1cccc(CCN2CCCC2)c1
COc1ccc(CN2C3CCC2CC3)cc1OC
C(N1CCCC1)c1cccnc1
Clc1ccc(cc1)N1CCCN(CCCc2nc3ccccc3s2)CC1
Clc1ccc(cc1)N1CCCN(CCCCc2nc3ccccc3s2)CC1
Clc1ccc(cc1)N1CCCN(CCCC(=O)c2nc3ccccc3s2)CC1
Clc1ccc(cc1)N1CCCN(CCCCC(=O)c2nc3ccccc3s2)CC1
Clc1ccc(cc1)N1CCN(CCCc2nc3ccccc3s2)CC1
Clc1ccc(cc1)N1CCN(CCCCc2nc3ccccc3s2)CC1
OC1(CCN(CCCCc2nc3ccccc3s2)CC1)c1ccc(Cl)cc1
C(CCc1nc2ccccc2s1)CN1CCc2ccccc2C1
C(CCc1nc2ccccc2s1)CN1Cc2ccccc2C1
Clc1ccc(cc1)N1CCN(CCCC(=O)c2nc3ccccc3s2)CC1
O=C(CCCN1CCN(CC1)c1ccccc1)c1nc2ccccc2s1
O=C(CCCN1CCC(CC1)c1ccccc1)c1nc2ccccc2s1
Clc1ccc2n(C3CCN(CCCCC(=O)c4nc5ccccc5s4)CC3)c(=O)[nH]c2c1
O=C(CCCCN1Cc2ccccc2C1)c1nc2ccccc2s1
Clc1ccc(cc1)N1CCN(CCCCC(=O)c2nc3ccccc3s2)CC1
O=C(CCCCN1CCN(CC1)c1ccccc1)c1nc2ccccc2s1
O=C(CCCCN1CCC(CC1)c1ccccc1)c1nc2ccccc2s1
NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1
C[C@@H]([C@@H](O)c1ccc(Cl)c(Cl)c1)N1CCC(Cc2ccccc2)=CC1 |r,c:24|
COc1ccc2cc(ccc2c1Cl)[C@H](O)[C@H](C)N1CCC(O)(Cc2ccccc2)CC1 |r|
OC(CCN1CCC(Cc2ccccc2)=CC1)c1ccc(Cl)c(Cl)c1 |c:15|
OC(CCN1CCC(O)(Cc2ccccc2)CC1)c1ccc(Cl)c(Cl)c1
COc1ccc2cc(ccc2c1Cl)C(O)CCN1CCC(O)(Cc2ccccc2)CC1
COc1ccc2cc(ccc2c1Cl)C(O)CCN1CCC(Cc2ccccc2)=CC1 |c:30|
OC(CCN1CCC(Cc2ccccc2)=CC1)c1csc2ccccc12 |c:15|
COc1ccc(cc1)C(O)CCN1CCC(Cc2ccccc2)=CC1 |c:24|
OC(CCN1CCC(Cc2ccccc2)=CC1)c1cc2ccccc2s1 |c:15|
CN1O[C@@]2(CC1=O)C[C@@H]1CC[C@H](C2)N1 |r,TLB:4:3:10.9:13,THB:2:3:10.9:13|
Fc1cc(ccc1Cl)C(Oc1ccccc1)C1CNC1
Clc1ccc(OC(C2CNC2)c2ccc3ccccc3c2)cc1Cl
C1NCC1C(Oc1ccccc1)c1ccc2ccccc2c1
CCCOC(C1CNC1)c1ccc2ccccc2c1
CCCOC(C1CNC1)c1ccc(Cl)c(Cl)c1
Cc1c(Sc2ccc(Cl)cc2)c2ncccc2n1CC(O)=O
COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)cnc12
COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)ccc12
COc1ccc(cc1)[C@@H](CN(C)C)C1(O)CCCCC1
CN(C)C[C@@H](c1ccc(cc1)OC)C2(CCCCC2)O
COc1ccc(cc1)[C@@H](CN(C)C)[Si]1(O)CCCCC1 |r|
Cc1ccc(Sc2ccccc2)c(c1)N1CCNCC1
Cc1cccc(Sc2ccccc2N2CCNCC2)c1C
Clc1cccc(Sc2ccccc2N2CCNCC2)c1Cl
COc1cccc(Sc2ccccc2N2CCNCC2)c1OC
Cc1ccc(Sc2ccccc2N2CCNCC2)cc1C
Clc1ccc(Sc2ccccc2N2CCNCC2)cc1Cl
COc1ccc(Sc2ccccc2N2CCNCC2)cc1OC
Cc1ccccc1Sc1ccccc1N1CCNCC1
COc1ccccc1Sc1ccccc1N1CCNCC1
Cc1cccc(Sc2ccccc2N2CCNCC2)c1
COc1cccc(Sc2ccccc2N2CCNCC2)c1
Cc1nccn1CC2CCc3c(c4ccccc4n3C)C2=O
c1cnc(nc1)N2CCN(CC2)CCCCN3C(=O)CC4(CCCC4)CC3=O
CC(C)(C)c1ccc(Sc2ccccc2N2CCNCC2)cc1
FC(F)(F)c1ccc(Sc2ccccc2N2CCNCC2)cc1
Cc1ccc(Sc2ccccc2N2CCNCC2)cc1
Fc1ccc(Sc2ccccc2N2CCNCC2)cc1
Clc1ccc(Sc2ccccc2N2CCNCC2)cc1
COc1ccc(Sc2ccccc2N2CCNCC2)cc1
C1CN(CCN1)c1ccccc1Sc1ccccc1
Cc1ccc(Sc2ccc(C)cc2N2CCNCC2)cc1
Cc1ccc(Sc2ccc(F)cc2)c(c1)N1CCNCC1
Cc1ccc(Sc2ccc(Cl)cc2)c(c1)N1CCNCC1
COc1ccc(Sc2ccc(C)cc2N2CCNCC2)cc1
Cc1ccc(Oc2ccccc2N2CCNCC2)c(C)c1
Cc1ccc(Sc2ccccc2N2CCCNCC2)c(C)c1
CN1CCN(CC1)c1ccccc1Sc1ccc(C)cc1C
Cc1ccc(Sc2c(C)cccc2N2CCNCC2)c(C)c1
Cc1ccc(Sc2cc(C)ccc2N2CCNCC2)c(C)c1
Cc1ccc(Sc2ccc(C)cc2N2CCNCC2)c(C)c1
Cc1ccc(Sc2cccc(C)c2N2CCNCC2)c(C)c1
Cc1ccc(Sc2ccccc2N2CCNCC2)c(Cl)c1
COc1cc(C)ccc1Sc1ccccc1N1CCNCC1
COc1ccc(Sc2ccccc2N2CCNCC2)c(Cl)c1
Clc1ccc(Sc2ccccc2N2CCNCC2)c(Cl)c1
COc1ccc(Sc2ccccc2N2CCNCC2)c(OC)c1
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2CC#CCF |r,TLB:19:18:10.4.9:6.7|
COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC |TLB:8:19:10.11:17,13:15:10.11:17,THB:9:10:19.15:17,18:19:9.12:7,10:9:19.15:7,12:11:19.15:17,16:15:9.12:7,11:12:19.15:7,6:7:9.12:19.15|
COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC |TLB:9:20:11.12:18,14:16:11.12:18,THB:10:11:20.16:18,19:20:10.13:8,11:10:20.16:8,13:12:20.16:18,17:16:10.13:8,12:13:20.16:8,7:8:10.13:20.16|
COc1ccccc1CCN1C2C3C4C5C3C1(O)C1C5CC4C21 |TLB:11:22:13.14:20,16:18:13.14:20,THB:12:13:22.18:20,21:22:12.15:10,13:12:22.18:10,15:14:22.18:20,19:18:12.15:10,14:15:22.18:10,9:10:12.15:22.18|
CCCN1CCC(CC1)c1cc2ccccc2s1
CCCN1CCC(CC1)c1ccc2ccccc2c1
CCCN1CCC(CC1)c1cccc2ccccc12
CCCN1CCC(CC1)N1C(=O)C(=O)c2ccccc12
CCCN1CCC(CC1)n1c2ccc(Cl)cc2n(C)c1=O
CCCN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O
CCCN1CCC(CC1)n1cnc2ccccc12
CCCN1CCC(CC1)n1ccc2ccccc12
CCCN1CCC(CC1)c1n[nH]c2ccccc12
CCCN1CCC(CC1)c1noc2cc(F)ccc12
CCCN1CCC(CC1)c1coc2ccccc12
CCCN1CCC(CC1)c1csc2ccccc12
CCCN1CCC(CC1)c1cn(C)c2ccc(F)cc12
CCCN1CCC(CC1)c1cn(C)c2cc(F)ccc12
CCCN1CCC(CC1)c1c[nH]c2cc(F)ccc12
CN1CC(c2ccc(F)c(F)c2)c2ccccc2C1
CN1CC(c2ccc(Cl)cc2)c2ccccc2C1
COc1ccc2CN(C)CC(c3ccccc3)c2c1
CN1CC(c2ccccc2)c2cc(C)ccc2C1
CN1CC(c2ccccc2)c2ccc(C)c(C)c2C1
CCOc1ccc2C(CN(C)Cc2c1)c1ccccc1
COc1ccc2C(CN(C)Cc2c1)c1ccccc1
CCc1ccc2C(CN(C)Cc2c1)c1ccccc1
CN1CC(c2ccccc2)c2ccc(C)cc2C1
CN1CC(c2ccccc2)c2ccccc2C1
CN1CC(c2ccccc2)c2cccc(O)c2C1
COc1cccc2C(CN(C)Cc12)c1ccccc1
CN1CC(c2ccccc2)c2cccc(C)c2C1
CN1C[C@@H](c2cccc(F)c2)c2ccc(C)cc2C1 |r|
CN1CC(c2ccc(Cl)cc2)c2ccc(C)cc2C1
CN1C[C@@H](c2ccc(F)cc2)c2ccc(C)cc2C1 |r|
CN1CC(c2cc(F)cc(F)c2)c2ccc(C)cc2C1
CN1CC(c2cccc(Cl)c2)c2ccc(C)cc2C1
CN1CC(c2ccc(F)c(F)c2)c2ccc(C)cc2C1
CN1CC(c2ccc(C)cc2)c2ccc(C)cc2C1
CN1CC(c2ccc(F)c(F)c2)c2ccc(O)cc2C1
COc1ccc2C(CN(C)Cc2c1)c1ccc(C)c(F)c1
COc1ccc2C(CN(C)Cc2c1)c1cccc(C)c1
COc1ccc2C(CN(C)Cc2c1)c1ccc(F)c(F)c1
CN1CC(c2ccccc2)c2ccc(F)cc2C1
CN1CC(c2ccc(C)cc2)c2cccc(C)c2C1
CN1CC(c2ccc(F)c(C)c2)c2ccccc2C1
CN1CC(c2ccc(C)c(F)c2)c2ccccc2C1
CN1CC(c2ccc(Cl)c(F)c2)c2ccccc2C1
C(Cc1ccc2nn[nH]c2c1)N1CCN(CC1)c1cccc2ccccc12
C(Cc1ccc2NCNc2c1)N1CCN(CC1)c1cccc2ccccc12
Cc1cccc(N2CCN(CCc3ccc4nn[nH]c4c3)CC2)c1C
CN(C)CCCc1c[nH]c2cccc(Cl)c12
CN(C)CCCc1c[nH]c2ccc(Cl)cc12
CN(C)CCCc1c[nH]c2c(Cl)cccc12
Fc1ccc2[nH]cc(CC3CN4CCC3CC4)c2c1 |(-5.29,-1.31,;-3.94,-2.08,;-3.94,-3.62,;-2.61,-4.39,;-1.28,-3.62,;.19,-4.09,;1.08,-2.85,;.19,-1.59,;.67,-.13,;-1.02,.35,;-1.75,-.45,;-3.24,-.05,;-4.73,-.45,;-4.33,1.04,;-2.64,1.45,;-2.98,2.57,;-3.85,1.84,;-1.28,-2.08,;-2.61,-1.31,)|
CN(C)CCCc1c[nH]c2ccc(O)cc12
CN(C)CCCc1c[nH]c2ccc(OCc3ccccc3)cc12
N#Cc1ccc2[nH]cc(SC[C@@H]3C[N@]4CC[C@H]3CC4)c2c1 |wU:13.12,11.10,16.17,TLB:10:11:15.14:17.18,(-6.29,-.5,;-4.96,-1.27,;-3.63,-2.05,;-3.63,-3.57,;-2.3,-4.35,;-.97,-3.57,;.5,-4.04,;1.41,-2.8,;.5,-1.57,;.96,-.1,;2.47,.23,;2.94,1.69,;4.43,2.02,;2.77,4.11,;1.27,3.79,;.42,2.51,;1.91,2.83,;2.1,4.56,;3.24,5.58,;-.97,-2.05,;-2.3,-1.27,)|
CN(C)CCCc1c[nH]c2cc(Cl)ccc12
COc1ccc2[nH]cc(CCCN(C)C)c2c1
CN(C)CCCc1c[nH]c2ccc(I)cc12
CN(C)CCc1c[nH]c2c1cc(cc2)O
CN(C)CCCc1c[nH]c2ccc(Br)cc12
CN(C(C)=O)c1cccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
CC(=O)Nc1ccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1
COc1cccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
CC(=O)Nc1cccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
Cc1ccc2c(OCCN3CCN(Cc4cccc5cccnc45)CC3)cccc2n1
COc1ccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1NS(C)(=O)=O
CC(C)S(=O)(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
CN(c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1)S(C)(=O)=O
CCNC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCC4=O)CC3)cccc2n1
CCN(C(C)=O)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
CC(C)C(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
CCC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCS4(=O)=O)CC3)cccc2n1
CC(=O)Nc1ccccc1CN1CCN(CCOc2cccc3nc(C)ccc23)CC1
COc1ccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1
Cc1ccc2c(OCCN3CCN(Cc4ccccc4)CC3)cccc2n1
Cc1ccc2c(OCCN3CCC(Cc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1
CN(C)CC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
CN(C(C)=O)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
CC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Cc1ccc2c(cccc2n1)N1CCN(Cc2ccc3OCC(=O)Nc3c2)CC1
Cc1ccc2c(OCCN3CC(COc4ccc5OCC(=O)Nc5c4)C3)cccc2n1
Cc1ccc2c(OC3CCN(Cc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
Cc1ccc2c(OC3CCN(CCc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
Cc1ccc2c(cccc2n1)N1CCN(CCCCc2ccc3OCC(=O)Nc3c2)CC1
CC(CN1CCC(Cc2ccc3OCC(=O)Nc3c2)CC1)Oc1cccc2nc(C)ccc12
Cc1ccc2c(OCC3CCN(Cc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
Cc1ccc2c(OCC3CCN(CC(=O)c4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
Cc1ccc2c(cccc2n1)N1CCN(CCCc2ccc3OCC(=O)Nc3c2)CC1
CC1(C)Cc2cccc(N3CCN(CCc4ccc5OCC(=O)Nc5c4)CC3)c2O1
Cc1cc2c(cccc2[nH]1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Cc1ncc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
O=C1COc2ccc(CCN3CCN(CC3)c3cccc4cccnc34)cc2N1
O=C1COc2ccc(CCN3CCN(CC3)c3nccc4ccccc34)cc2N1
O=C1COc2ccc(CCN3CCN(CC3)c3cccc4nc(ccc34)-c3ccccc3)cc2N1
Cc1cc(N2CCN(CCc3ccc4OCC(=O)Nc4c3)CC2)c2ccc(C)nc2c1
Cc1ccc2c(cc(Cl)cc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Cc1ccc2c(cc(F)cc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Cc1ccc2c(ccc(Cl)c2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Cc1ccc2c(ccc(F)c2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Cc1ccc2c(cccc2n1)N1C[C@H]2C[C@@H]1CN2CCc1ccc2OCC(=O)Nc2c1 |r|
CC1CN(CCc2ccc3OCC(=O)Nc3c2)CCN1c1cccc2nc(C)ccc12
C[C@@H]1CN(CCN1CCc1ccc2OCC(=O)Nc2c1)c1cccc2nc(C)ccc12 |r|
C[C@H]1CN(CCN1CCc1ccc2OCC(=O)Nc2c1)c1cccc2nc(C)ccc12 |r|
Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2F)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2cc3NC(=O)COc3cc2F)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2cc(F)c3OCC(=O)Nc3c2)CC1
CCN1C(=O)COc2ccc(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cc12
CN1C(=O)COc2ccc(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cc12
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3NC(=O)COc23)CC1
CN1C(=O)COc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12
Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3NC(=O)COc3c2)CC1
CN1C(=O)COc2cc(CCN3CCN(CC3)c3cccc4nc(C)ccc34)ccc12
CCN1C(=O)COc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12
CC(C)N1C(=O)COc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3N(C4CC4)C(=O)COc23)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3N(CC4CC4)C(=O)COc23)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3N(CC(F)F)C(=O)COc23)CC1
C[C@@H]1CN(CCN1CCc1cccc2N(C)C(=O)COc12)c1cccc2nc(C)ccc12 |r|
C[C@H]1CN(CCN1CCc1cccc2N(C)C(=O)COc12)c1cccc2nc(C)ccc12 |r|
CN1C(=O)COc2c(CCN3CCN(CC3)c3cc(F)cc4nc(C)ccc34)cccc12
C[C@@H]1CN(CCN1CCc1cccc2N(C)C(=O)COc12)c1cc(F)cc2nc(C)ccc12 |r|
CN1C(=O)COc2c(CCCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12
C[C@@H]1CN(CCN1CCCc1cccc2N(C)C(=O)COc12)c1cccc2nc(C)ccc12 |r|
CN1C(=O)COc2c(CCCN3CCN(CC3)c3cc(F)cc4nc(C)ccc34)cccc12
C[C@@H]1CN(CCN1CCCc1cccc2N(C)C(=O)COc12)c1cc(F)cc2nc(C)ccc12 |r|
Cc1ccc2c(cccc2n1)N1CCN(CCCc2cccc3NC(=O)COc23)CC1
COc1cccc(CN(C2CCNCC2)c2ccc3[nH]ccc3c2)c1
NS(=O)(=O)c1cccc(CN(C2CCNCC2)c2ccc3[nH]ccc3c2)c1
N#Cc1ccc(CN(C2CCNCC2)c2ccc3[nH]ccc3c2)cc1
N#Cc1cccc(CN(C2CCNCC2)c2ccc3[nH]ccc3c2)c1
N#Cc1ccccc1CN(C1CCNCC1)c1ccc2[nH]ccc2c1
Fc1ccc(CN(C2CCNCC2)c2ccc3[nH]ccc3c2)cc1
Fc1cccc(CN(C2CCNCC2)c2ccc3[nH]ccc3c2)c1
Fc1ccccc1CN(C1CCNCC1)c1ccc2[nH]ccc2c1
C(C1CCOCC1)N(C1CCNCC1)c1ccc2[nH]ccc2c1
C(Cc1ccccc1)N(C1CCNCC1)c1ccc2[nH]ccc2c1
O=C(N(C1CCNCC1)c1ccc2[nH]ccc2c1)c1ccccc1
CC(N(C1CCNCC1)c1ccc2[nH]ccc2c1)c1ccccc1
Cn1ccc2cc(ccc12)N(Cc1ccccc1)C1CCNCC1
C(N(C1CCNCC1)c1ccc2sccc2c1)c1ccccc1
C(N(C1CCNCC1)c1ccc2[nH]ncc2c1)c1ccccc1
C(N(C1CCNC1)c1ccc2[nH]ccc2c1)c1ccccc1
C(N(C1CCCNC1)c1ccc2[nH]ccc2c1)c1ccccc1
C(N(C1CCNCC1)c1ccc2[nH]ccc2c1)c1ccccc1
CNCCN(c1ccccc1)c1ccc2[nH]ccc2c1
CNCCC(c1ccccc1)c1ccc2[nH]ccc2c1
C1CC(CCN1)N(c1ccccc1)c1ccc2[nH]ccc2c1
CCOC[C@@H]1[C@H]2CNC[C@@]12c1ccc(Cl)c(Cl)c1 |r|
COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r|
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3NC(=O)CCc23)CC1
CN1C(=O)CCc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12
CN1C(=O)CCc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)c(C)ccc12
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3[nH]c(=O)ccc23)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2c(C)ccc3n(C)c(=O)ccc23)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2c(Cl)ccc3n(C)c(=O)ccc23)CC1
C[C@@H]1CN(CCN1CCc1c(C)ccc2n(C)c(=O)ccc12)c1cccc2nc(C)ccc12 |r|
C[C@@H]1CN(CCN1CCc1cccc2n(C)c(=O)ccc12)c1cc(F)cc2nc(C)ccc12 |r|
C[C@H]1CN(CCN1CCc1c(C)ccc2n(C)c(=O)ccc12)c1cccc2nc(C)ccc12 |r|
C[C@H]1CN(CCN1CCc1cccc2n(C)c(=O)ccc12)c1cc(F)cc2nc(C)ccc12 |r|
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3n(C)c(=O)ccc23)C(C)(C)C1
Cc1ccc2c(cccc2n1)C1CCN(CCc2c(C)ccc3n(C)c(=O)ccc23)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2c(C)ccc3NC(=O)CCc23)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3n(C)c(=O)ccc23)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2c(F)ccc3n(C)c(=O)ccc23)CC1
Cc1ccc2c(cc(F)cc2n1)N1CCN(CCc2c(C)ccc3n(C)c(=O)ccc23)CC1
C[C@H]1CN(CCN1CCc1cccc2n(C)c(=O)ccc12)c1cccc2nc(C)ccc12 |r|
C[C@H]1CN(CCN1CCc1c(C)ccc2n(C)c(=O)ccc12)c1cc(F)cc2nc(C)ccc12 |r|
Cc1ccc2c(cccc2n1)N1CCN(CCc2c(C)ccc3[nH]c(=O)ccc23)CC1
FC(F)(F)c1cc(COCC(N2CCNCC2)c2ccc(Cl)c(Cl)c2)cc(c1)C(F)(F)F
Fc1ccc(cc1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1
COc1cccc(c1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1
Brc1cc(Br)cc(COC[C@@H](N2CCNCC2)c2ccccc2)c1
FC(F)(F)c1cc(COCC(N2CCNCC2)c2ccccc2Cl)cc(c1)C(F)(F)F
CC(C)(C)c1cc(COCC(N2CCNCC2)c2ccccc2)cc(c1)C(C)(C)C
FC(F)(F)c1cc(COCC(N2CCNCC2)c2cccc(Cl)c2)cc(c1)C(F)(F)F
Clc1cc(Cl)cc(COC[C@@H](N2CCNCC2)c2ccccc2)c1
Clc1cc(Cl)cc(COC[C@H](N2CCNCC2)c2ccccc2)c1
Brc1cc(I)cc(COCC(N2CCNCC2)c2ccccc2)c1
FC(F)(F)c1cc(COCC(N2CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
Fc1cccc(C(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)N2CCNCC2)c1F
COc1c(Br)cc(Br)cc1COCC(N1CCNCC1)c1ccccc1
COc1ccccc1C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1
COc1ccc(cc1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1
CC(C)c1cccc(c1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1
Fc1cc(COCC(N2CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
Clc1cccc(COCC(N2CCNCC2)c2ccccc2)c1
Fc1ccccc1C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1
Fc1cc(F)cc(COCC(N2CCNCC2)c2ccccc2)c1
Brc1cc(Br)cc(COC[C@H](N2CCNCC2)c2ccccc2)c1
CCN(C)C(=O)Oc1ccc(cc1)C(CCOc1ccc(cc1)[N+]([O-])=O)NC
CCN(C)C(=O)Oc1ccc2C(CCOc3ccc(cc3)[N+]([O-])=O)N(C)C(C)C=Cc2c1 |c:29|
FCCOC(=O)[C@@H]1[C@H]2CC[C@H](C[C@@H]1c1ccc(\C=C/I)cc1)N2 |r,TLB:13:12:22:8.9,THB:4:6:22:8.9|
CN(C)Cc1cc(I)ccc1Sc1ccccc1CO
CN(C)Cc1cc(I)ccc1Sc1ccccc1N
Clc1cccc(N2CCN(CCCCNS(=O)(=O)c3cncc4ccccc34)CC2)c1Cl
Clc1cccc(N2CCN(CCCCNS(=O)(=O)c3cc4ccccc4cn3)CC2)c1Cl
Clc1cccc(N2CCN(CCCCNS(=O)(=O)c3ccc4cccnc4c3)CC2)c1Cl
Clc1cccc(N2CCN(CCCCNS(=O)(=O)c3cnc4ccccc4c3)CC2)c1Cl
Clc1cccc(N2CCN(CCCNS(=O)(=O)c3ccc4cccnc4c3)CC2)c1Cl
OCC[C@@]1(CCCNC1)c1cc2ccccc2o1 |r|
OCC[C@]1(CCCNC1)c1ccc(Cl)c(Cl)c1 |r|
OCC[C@@]1(CCCNC1)c1ccc(Cl)c(Cl)c1 |r|
OCC[C@]1(CCCCNC1)c1ccc(Cl)c(Cl)c1 |r|
OCC[C@@]1(CCCCNC1)c1ccc(Cl)c(Cl)c1 |r|
COCCN1CC=CC[C@@H](C1)c1ccc(Cl)c(Cl)c1 |r,c:6|
OCCN1CC=CC[C@@H](C1)c1ccc(Cl)c(Cl)c1 |r,c:5|
Clc1ccc(cc1Cl)C1CCCCNC1
CN1CCCCC(C1)c1ccc(Cl)c(Cl)c1
C1NCC(CC=C1)c1cc2ccccc2o1 |c:5|
CN1CC=CCC(C1)c1cc2ccccc2o1 |c:3|
Fc1ccc(cc1Cl)C1CNCC=CC1 |c:13|
CN1CC=CCC(C1)c1ccc(Cl)c(C)c1 |c:3|
Cc1ccc(cc1Cl)C1CNCC=CC1 |c:13|
C1NCC(CC=C1)c1ccc2ccccc2c1 |c:5|
Clc1ccc(cc1Cl)[C@H]1CNCC=CC1 |r,c:13|
Clc1ccc(cc1Cl)[C@@H]1CNCC=CC1 |r,c:13|
CN1CC=CC[C@H](C1)c1ccc(Cl)c(Cl)c1 |r,c:3|
CN1CC=CC[C@@H](C1)c1ccc(Cl)c(Cl)c1 |r,c:3|
CN1C[C@H](c2ccccc2)c2cccc(N)c2C1
CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCC(=O)Nc3cccc(c3)-c3ccc4c(COC4(CCCN(C)C)c4ccc(F)cc4)c3)c3ccc(cc3oc2c1)=[N+](CC)CC |(19.16,-47.15,;19.13,-48.69,;20.44,-49.49,;20.41,-51.03,;21.72,-51.83,;21.79,-48.75,;23.12,-49.55,;24.48,-48.8,;24.5,-47.26,;25.84,-46.5,;27.16,-47.29,;27.14,-48.84,;28.46,-49.62,;29.8,-48.87,;29.83,-47.33,;28.51,-46.54,;28.53,-45,;29.88,-44.25,;28.13,-43.51,;27.02,-45.39,;31.12,-49.66,;30.34,-51,;31.88,-51.02,;32.47,-48.91,;33.79,-49.7,;35.14,-48.95,;36.46,-49.74,;37.8,-48.99,;39.12,-49.78,;40.47,-49.03,;40.49,-47.49,;41.79,-49.82,;43.14,-49.07,;44.46,-49.86,;45.8,-49.11,;45.83,-47.57,;47.13,-49.92,;48.46,-49.15,;48.46,-47.6,;49.79,-46.83,;51.12,-47.6,;51.12,-49.15,;49.79,-49.91,;52.45,-49.91,;53.78,-49.15,;55.12,-49.92,;55.11,-51.46,;53.78,-52.23,;54.1,-53.73,;55.63,-53.89,;56.26,-52.49,;57.02,-51.15,;58.56,-51.14,;59.32,-49.8,;60.87,-49.79,;61.63,-48.46,;61.64,-51.12,;57.59,-53.26,;58.93,-52.49,;60.26,-53.26,;60.25,-54.8,;61.59,-55.57,;58.92,-55.57,;57.59,-54.8,;52.45,-51.45,;25.87,-44.97,;27.21,-44.23,;27.25,-42.69,;25.93,-41.9,;24.58,-42.64,;24.55,-44.17,;23.2,-44.92,;23.18,-46.45,;21.83,-47.2,;25.96,-40.36,;27.31,-39.61,;28.63,-40.41,;24.65,-39.56,;23.3,-40.31,)|
CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCN3[C@@H]4CC[C@@H]3[C@H]([C@H](C4)c3ccc(Cl)c(Cl)c3)C(=O)OC)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:35.35,38.39,39.53,40.44,TLB:50:39:34:36.37,THB:33:34:40.41.39:36.37,42:40:34:36.37,(30.38,-12.98,;30.41,-14.51,;29.1,-15.31,;29.13,-16.85,;27.81,-17.65,;27.75,-14.57,;26.42,-15.37,;25.06,-14.63,;25.03,-13.08,;23.7,-12.33,;22.38,-13.12,;22.4,-14.66,;21.07,-15.45,;19.74,-14.7,;19.71,-13.15,;21.03,-12.36,;21.01,-10.82,;19.66,-10.08,;21.4,-9.33,;22.52,-11.21,;18.41,-15.49,;19.19,-16.82,;17.65,-16.84,;17.07,-14.74,;15.75,-15.53,;14.4,-14.78,;13.08,-15.57,;11.73,-14.82,;10.41,-15.61,;9.07,-14.86,;9.04,-13.32,;7.75,-15.64,;7.73,-17.17,;6.42,-17.97,;6.46,-19.51,;6.72,-21.05,;5.73,-22.4,;6.91,-21.68,;7.52,-20.34,;9.27,-20.31,;9.54,-21.86,;8.56,-21.05,;10.31,-23.19,;11.84,-23.18,;12.62,-24.5,;11.85,-25.85,;12.62,-27.18,;10.31,-25.85,;9.54,-27.19,;9.54,-24.52,;10.09,-19.01,;9.38,-17.65,;11.63,-19.07,;12.35,-20.44,;23.67,-10.79,;22.33,-10.05,;22.29,-8.52,;23.61,-7.72,;24.96,-8.46,;24.98,-10,;26.33,-10.74,;26.36,-12.28,;27.71,-13.02,;23.58,-6.18,;22.23,-5.44,;20.91,-6.24,;24.89,-5.38,;26.23,-6.13,)|
CCNc1cc(cc(COCC2(CCN(C)CC2)c2ccc(F)cc2)n1)C(F)(F)F
CCN(CC)c1cc(cc(COCC2(CCN(C)CC2)c2ccc(F)cc2)n1)C(F)(F)F
CN(C)c1cc(cc(COCC2(CCNCC2)c2ccc(F)cc2)n1)C(F)(F)F
CN1CCC(COCc2cc(Cl)cc(n2)C(F)(F)F)(CC1)c1ccccc1
FC(F)(F)c1cc(Cl)cc(COCC2(CCNCC2)c2ccccc2)n1
Clc1cc(COCC2(CCNCC2)c2ccccc2)cc(Cl)n1
CN1CCC(COCc2cncc(Br)c2)(CC1)c1ccccc1
Brc1cncc(COCC2(CCNCC2)c2ccccc2)c1
CN1CCC(COCc2cc(cc(Cl)n2)C(F)(F)F)(CC1)c1ccccc1F
CN1CCC(COCc2cc(cc(Cl)n2)C(F)(F)F)(CC1)c1ccc(F)cc1
Fc1ccc(cc1)C1(COCc2cc(cc(Cl)n2)C(F)(F)F)CCNCC1
CN1CCC(COCc2cc(cc(Cl)n2)C(F)(F)F)(CC1)c1ccc(Cl)cc1
CN1CCC(COCc2cc(cc(Cl)n2)C(F)(F)F)(CC1)c1ccccc1
FC(F)(F)c1cc(Cl)nc(COCC2(CCNCC2)c2ccccc2)c1
FC(F)(F)c1cc(Cl)cc(COCC2(CCNCC2)c2ccccc2)c1
CN1CCC(COCc2cc(cc(n2)C2CC2)C(F)(F)F)(CC1)c1cccc(F)c1
CN1CCC(COCc2cc(cc(n2)C2CC2)C(F)(F)F)(CC1)c1cccc(Cl)c1
CN1CCC(COCc2cc(cc(n2)C2CC2)C(F)(F)F)(CC1)c1ccc(Cl)cc1
CN1CCC(COCc2cc(cc(n2)C2CC2)C#N)(CC1)c1ccc(F)cc1
CN1CCC(COCc2cc(cc(n2)C2CC2)C2CC2)(CC1)c1ccc(F)cc1
CN1CCC(COCc2cc(cc(n2)C2CCCC2)C(F)(F)F)(CC1)c1ccc(F)cc1
CN1CCC(COCc2cc(cc(n2)C2(F)CC2)C(F)(F)F)(CC1)c1ccccc1
CN1CCC(COCc2cc(cc(n2)C2(F)CC2)C(F)(F)F)(CC1)c1ccc(F)cc1
CN1CCC(COCc2cc(cc(n2)C2CC2(C)C)C(F)(F)F)(CC1)c1ccc(F)cc1
CC1CC1c1cc(cc(COCC2(CCN(C)CC2)c2ccc(F)cc2)n1)C(F)(F)F
FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)nc(c1)C1CC1
CN1CCC(COCc2cc(cc(n2)C2CC2)C(F)(F)F)(CC1)c1ccccc1
CN1CCC(COCc2cc(cc(n2)C2CC2)C(F)(F)F)(CC1)c1ccc(F)cc1
[#6]-[#7]-1-[#6]-[#6]C([#6]-[#8]-[#6]-c2cc(cc(\[#6]=[#6](/[#6])-[#6])n2)C(F)(F)F)([#6]-[#6]-1)c1ccc(F)cc1
C\C=C\c1cc(cc(COCC2(CCN(C)CC2)c2ccc(F)cc2)n1)C(F)(F)F
CC(C)Cc1cc(cc(COCC2(CCN(C)CC2)c2ccc(F)cc2)n1)C(F)(F)F
CC(C)c1cc(cc(COCC2(CCN(C)CC2)c2ccc(F)cc2)n1)C(F)(F)F
COc1cc(cc(COCC2(CCN(C)CC2)c2ccc(F)cc2)n1)C(F)(F)F
CN1CCC(COCc2cc(cc(n2)C#N)C(F)(F)F)(CC1)c1ccccc1
CN1CCC(COCc2cc(ccn2)C(F)(F)F)(CC1)c1ccc(F)cc1
CN1CCC(COCc2cc(cc(n2)N2CCC(CC2)C#N)C(F)(F)F)(CC1)c1ccc(F)cc1
CN1CCN(CC1)c1cc(cc(COCC2(CCNCC2)c2ccccc2)n1)C(F)(F)F
CN1CCC(COCc2cc(cc(n2)N2CCC(C2)C#N)C(F)(F)F)(CC1)c1ccc(F)cc1
CN1CCC(COCc2cc(cc(n2)N2CC=CC2)C(F)(F)F)(CC1)c1ccc(F)cc1 |c:17|
CN1CCC(COCc2cc(cc(n2)N2CCC3CC23)C(F)(F)F)(CC1)c1ccc(F)cc1
CN1CCC(COCc2cc(cc(n2)N2CCCC2)C(F)(F)F)(CC1)c1ccccc1
FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)nc(c1)N1CCCC1
CC(C)CN(CC(C)C)c1cc(cc(COCC2(CCN(C)CC2)c2ccc(F)cc2)n1)C(F)(F)F
CCN(C)c1cc(cc(COCC2(CCN(C)CC2)c2ccc(F)cc2)n1)C(F)(F)F
CCC(CC)Nc1cc(cc(COCC2(CCN(C)CC2)c2ccc(F)cc2)n1)C(F)(F)F
CN(CCCN1c2ccccc2CCc2ccccc12)C(=O)COCCOCC(=O)N(C)CCCN1c2ccccc2CCc2ccccc12
CN(CCCN1c2ccccc2CCc2ccccc12)CCOCCOCCOCCN(C)CCCN1c2ccccc2CCc2ccccc12
CN(CCCN1c2ccccc2CCc2ccccc12)CCOCCOCCN(C)CCCN1c2ccccc2CCc2ccccc12
CN(CCCN1c2ccccc2CCc2ccccc12)CCOCCN(C)CCCN1c2ccccc2CCc2ccccc12
CC(C)[C@@]1(O)C=C2[C@H](O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(O)=O)[C@H]2C[C@@H]1O |r,t:5|
FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
CN1CCC(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(CC1)c1ccccc1
FC(F)(F)c1cc(COCC2(CCCCNCC2)c2ccccc2)cc(c1)C(F)(F)F
FC(F)(F)c1cc(COCC2(CCCNCCC2)c2ccccc2)cc(c1)C(F)(F)F
CN1CCCC[C@](COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(C1)c1ccccc1 |r|
CN1CCCC[C@@](COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(C1)c1ccccc1 |r|
FC(F)(F)c1cc(COC[C@]2(CCCCNC2)c2ccccc2)cc(c1)C(F)(F)F |r|
FC(F)(F)c1cc(COC[C@@]2(CCCCNC2)c2ccccc2)cc(c1)C(F)(F)F |r|
FC(F)(F)c1cc(COC[C@]2(CCCN(Cc3ccccc3)CC2)c2ccccc2)cc(c1)C(F)(F)F |r|
FC(F)(F)c1cc(COC[C@@]2(CCCN(Cc3ccccc3)CC2)c2ccccc2)cc(c1)C(F)(F)F |r|
CCN1CCC[C@](COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(CC1)c1ccccc1 |r|
CCN1CCC[C@@](COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(CC1)c1ccccc1 |r|
CN1CCC[C@](COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(CC1)c1ccccc1 |r|
CN1CCC[C@@](COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(CC1)c1ccccc1 |r|
FC(F)(F)c1cc(COC[C@]2(CCCNCC2)c2ccccc2)cc(c1)C(F)(F)F |r|
FC(F)(F)c1cc(COC[C@@]2(CCCNCC2)c2ccccc2)cc(c1)C(F)(F)F |r|
FC(F)(F)c1cc(COCC2(CCCCC2)c2ccccc2)cc(c1)C(F)(F)F
FC(F)(F)c1cc(COCC2(CCCNC2)c2ccccc2)cc(c1)C(F)(F)F
FC(F)(F)c1cc(COCC2(CCNC(=O)C2)c2ccccc2)cc(c1)C(F)(F)F
CC(C)(C)OC(=O)N1CCC(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(CC1)c1ccccc1
NC(=O)CCCc1c[nH]c2ccc(F)cc12
Fc1ccc2[nH]cc(CCCC#N)c2c1
NCC(N)CCc1c[nH]c2ccc(F)cc12
Fc1ccc2[nH]cc(CCCSC#N)c2c1
ONCCCc1c[nH]c2ccc(F)cc12
CCN(CCCc1c[nH]c2ccc(F)cc12)S(C)(=O)=O
CCN(CCc1c[nH]c2ccc(F)cc12)S(C)(=O)=O
NCCSCCCc1c[nH]c2c(F)cccc12
NCCSCCc1c[nH]c2c(F)cccc12
NCCSCCCc1c[nH]c2ccc(F)cc12
NCCSCCc1c[nH]c2ccc(F)cc12
OCCNCCCc1c[nH]c2ccc(F)cc12
OCCNCCc1c[nH]c2ccc(F)cc12
Fc1ccc2[nH]cc(CCCN3CCN(CC3)c3ccccc3)c2c1
NCCCCc1c[nH]c2c(F)cccc12
NCCCc1c[nH]c2c(F)cccc12
NCCc1c[nH]c2c(F)cccc12
COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)Cc2c1
CN1CCN(CC1)c1ccc2CN(Cc2c1)C(=O)OCc1ccccc1
OC(CN1CCN(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1
OC(CCN1CCN(CC1)c1ccccc1-c1ccccc1)c1ccc(Cl)c(Cl)c1
Clc1ccc(CCN2CCN(CC2)c2ccccc2-c2ccccc2)cc1Cl
Fc1ccc(cc1)-c1ccccc1N1CCN(CCc2ccc(Cl)c(Cl)c2)CC1
COc1ccccc1N1CCN(CCC(O)c2csc3ccc(F)cc23)CC1
COc1ccccc1N1CCN(CCCN2CCOc3ccccc23)CC1
Fc1cccc(c1)-c1ccccc1N1CCN(CCc2ccc(Cl)c(Cl)c2)CC1
Clc1ccc(CCN2CCN(CC2)c2nsc3ccccc23)cc1Cl
FCCOc1ccccc1CCC1CCN(CCc2ccc(F)cc2)CC1
FCCOc1ccc(CCN2CCN(CCc3ccccc3)CC2)cc1
FCCOc1ccc(CCN2CCC(CCc3ccccc3)CC2)cc1
FCCOc1cccc(CCC2CCN(CCc3ccccc3)CC2)c1
FCCOc1ccc(CCN2CCN(CCc3ccccc3Cl)CC2)cc1
FCCOc1ccccc1CCN1CCN(CCc2ccccc2Cl)CC1
FCCOc1cccc(CCN2CCN(CCc3ccccc3)CC2)c1
FCCOc1cccc(CCN2CCC(CCc3ccccc3)CC2)c1
FCCOc1ccc(CCC2CCN(CCc3ccccc3Cl)CC2)cc1
COc1ccc(CCN2CCC(CCc3ccccc3OCCF)CC2)cc1
FCCOc1ccccc1CCC1CCN(CCc2ccccc2)CC1
COc1ccc(CCN2CCC(CCc3cccc(OCCF)c3)CC2)cc1
FCCOc1ccccc1CCN1CCN(CCc2ccccc2)CC1
FCCOc1ccccc1CCC1CCN(CCc2ccccc2Cl)CC1
COc1ccccc1CCN1CCC(CCc2cccc(OCCF)c2)CC1
FCCOc1ccccc1CCN1CCN(CCc2ccc(F)cc2)CC1
COc1ccccc1CCN1CCC(CCc2ccccc2OCCF)CC1
CC(C)(C)OC(=O)NCCCCCCn1cc(CCCCN2CCC(CC2)c2ccc(cc2)-c2cc(cc3cc(ccc23)-c2ccc(cc2)C(F)(F)F)C(O)=O)nn1
CCOC(=O)C1CN(CCn2c(=O)[nH]c3ccccc3c2=O)CCC1c1ccc(F)cc1
c1ccc2c(c1)C(=O)N(C(=O)N2)CCN3CCC(CC3)C(=O)c4ccc(cc4)F
[H][C@]12CC[C@](C1)([C@H](COC)CN2)c1ccc(Cl)c(Cl)c1 |r|
Clc1ccc(cc1Cl)[C@@]12CC1CNC2 |r|
C[C@@]1(O)CC[C@@](CN)(CC1)c1ccc(Cl)c(Cl)c1 |r,wD:1.1,5.10,(7.5,-16.66,;6.74,-15.34,;5.97,-16.66,;5.42,-14.57,;5.42,-13.04,;6.74,-12.26,;7.51,-10.92,;9.05,-10.91,;8.08,-13.04,;8.08,-14.57,;5.97,-10.92,;4.43,-10.93,;3.65,-9.6,;4.42,-8.25,;3.64,-6.92,;5.97,-8.25,;6.73,-6.91,;6.74,-9.58,)|
Clc1ccc(cc1Cl)[C@@H]1CCNC[C@@]11CCOC1 |r|
[H][C@@]12CCCN1C[C@H](c1ccc(cc1)C#C)c1ccccc21 |r|
[H][C@@]12CC[C@@](C1)([C@H](COC)CN2)c1ccc(Cl)c(Cl)c1 |r|
Clc1ccc(cc1Cl)C1CCNCC11CCOCC1
C[C@@]1(O)CC[C@](CN)(CC1)c1ccc(Cl)c(Cl)c1 |r,wU:1.1,wD:5.10,(13.4,-17.03,;14.17,-15.7,;14.93,-17.03,;15.51,-14.94,;15.51,-13.4,;14.17,-12.62,;14.94,-11.28,;16.48,-11.28,;12.85,-13.4,;12.85,-14.94,;13.39,-11.29,;11.86,-11.3,;11.08,-9.97,;11.85,-8.62,;11.07,-7.29,;13.39,-8.61,;14.16,-7.28,;14.17,-9.95,)|
[H][C@]12CC[C@]([H])(CC(C1)Oc1ccc3oc(=O)c(C)cc3c1)N2 |r,TLB:9:7:22:3.2|
CN(C)CC(c1ccc(OC(=O)c2ccc(C)cc2)cc1)C1(O)CCCCC1
[H][C@]1(CN(C)Cc2cc(ccc12)-c1ccc(N)nn1)c1ccc2ccccc2c1 |r|
CN(C)C[C@@]1(CC[C@@](C)(O)CC1)c1ccc(Cl)c(Cl)c1 |r,wU:7.7,wD:4.12,(15.77,-23.8,;16.54,-22.46,;15.77,-21.12,;18.09,-22.47,;18.86,-21.14,;20.2,-20.37,;20.2,-18.83,;18.86,-18.05,;19.63,-16.7,;18.08,-16.71,;17.53,-18.83,;17.53,-20.37,;19.63,-22.47,;18.85,-23.8,;19.61,-25.14,;21.15,-25.14,;21.92,-26.48,;21.92,-23.8,;23.47,-23.8,;21.15,-22.47,)|
N[C@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r|
Clc1ccc(cc1Cl)[C@]12CC1CNC2 |r|
Cc1ccc(cc1)C12CC1CNC2
C1C2CNC[C@]12c1ccc2ccccc2c1 |r|
CNC[C@]1(CC[C@@](C)(O)CC1)c1ccc(Cl)c(Cl)c1 |r,wU:6.7,wD:3.11,(25.66,-8.12,;24.9,-9.46,;23.36,-9.46,;22.59,-10.8,;23.92,-11.58,;23.92,-13.12,;22.59,-13.88,;21.82,-15.21,;23.35,-15.21,;21.26,-13.12,;21.26,-11.58,;21.81,-9.47,;20.27,-9.47,;19.49,-8.14,;20.26,-6.79,;19.48,-5.46,;21.81,-6.79,;22.57,-5.45,;22.58,-8.12,)|
[H][C@@]12CC[C@@](C1)([C@@H](COC)CN2)c1ccc(Cl)c(Cl)c1 |r|
[H][C@@]12CCOC[C@]1([H])[C@@H](CCN2)c1ccc(Cl)c(Cl)c1 |r|
CN(C)C[C@@H]([C@H](O)C1CCCCC1)c1ccc2ccccc2c1 |r|
CNC[C@H]([C@@H](O)c1ccccc1)c1ccc2ccccc2c1 |r|
CN(C)CC(c1ccc(OC(=O)c2ccccc2)cc1)C1(O)CCCCC1
CC1CCCN(C1)C(=O)CSC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 |r|
C#Cc1ccc(cc1)C1CN2CCCC2c2ccccc12
CN1CC(c2ccc(Cl)c(Cl)c2)c2cccc(N)c2C1
[H][C@]12CC[C@](C1)([C@@H](COC)CN2)c1ccc(Cl)c(Cl)c1 |r|
[H][C@]12CC[C@]([H])([C@@H](COC)[C@H](C1)c1ccc(Cl)c(Cl)c1)N2C |r,TLB:12:10:2.3:20,7:6:2.3:20|
[H][C@]12CC[C@]([H])([C@@H](COCC)[C@H](C1)c1ccc(Cl)c(Cl)c1)N2C |r,TLB:13:11:2.3:21,7:6:2.3:21|
CN(C)C[C@]1(CC[C@@](C)(O)CC1)c1ccc2ccccc2c1 |r,wU:7.8,wD:4.12,(46.19,-9.32,;45.43,-10.66,;46.2,-11.98,;43.89,-10.66,;43.12,-12,;44.46,-12.78,;44.46,-14.31,;43.12,-15.07,;42.36,-16.4,;43.89,-16.4,;41.81,-14.31,;41.81,-12.78,;42.35,-10.66,;40.81,-10.67,;40.03,-9.34,;40.8,-8,;40.03,-6.67,;40.79,-5.33,;42.34,-5.32,;43.12,-6.66,;42.35,-8,;43.12,-9.33,)|
Clc1ccc(cc1Cl)C1CCNCC11COC1
COCCOc1cc(Br)cc(CC2CCN(CCc3cc4OCCOc4cc3Cl)CC2)c1
COCCOc1cc(CC2CCN(CCc3cc4OCCOc4cc3Cl)CC2)ccc1Br
COCCOc1cc(Br)cc(CC2CCN(CCc3ccc4OCCOc4c3)CC2)c1
COCCOc1cc(CC2CCN(CCc3ccc4OCCCc4c3)CC2)ccc1Br
COCCOc1cc(CC2CCN(CCc3ccc4C(=O)CCOc4c3)CC2)ccc1Br
COCCOc1cc(CC2CCN(CCc3ccc4CCCC(=O)c4c3)CC2)ccc1Br
COCCOc1cc(CC2CCN(CCc3ccc4OCCCC(=O)c4c3)CC2)ccc1Br
COCCOc1cccc(CC2CCN(CCc3ccc4OCCC(=O)c4c3)CC2)c1
COCCOc1cc(CC2CCN(CCc3ccc4OCCC(=O)c4c3)CC2)ccc1Cl
CCc1ccc(CC2CCN(CCc3ccc4OCCC(=O)c4c3)CC2)cc1OCCOC
COCCOc1cc(CC2CCN(CCc3ccc4OCCC(=O)c4c3)CC2)ccc1C(C)C
COCCOc1cc(CC2CCN(CCc3ccc4OCCC(=O)c4c3)CC2)ccc1C
COCCOc1cc(CC2CCN(CCc3ccc4OCCC(=O)c4c3)CC2)ccc1F
COCCOc1cc(CC2CCN(CCc3ccc4OCCC(=O)c4c3)CC2)ccc1Br
COCCOc1cc(CC2CCN(CCc3ccc4OCCC(=O)c4c3)CC2)ccc1I
COCCOc1cc(CC2CCN(CCc3ccc4OCCOc4c3)CC2)ccc1Br
COCCOc1cc(CC2CCN(CCc3ccc4CCCOc4c3)CC2)ccc1Br
COCCOc1cc(CC2CCN(CCc3ccc4OCCS(=O)(=O)c4c3)CC2)ccc1Br
COCCOc1cccc(CC2CCN(CCc3cc4OCCOc4cc3Cl)CC2)c1Br
COCCOc1cc(Br)cc(CC2CCN(CCc3ccc4OCCC(=O)c4c3)CC2)c1
COCCOc1cc(CC2CCN(CCc3ccc4OCCC(O)c4c3)CC2)ccc1Br
COc1ccc(cc1)C(CN(C)C)[Si]1(O)CCCCC1
COc1ccc(cc1)C(CN(C)C)[Si]1(O)CCCC1
O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1cccc2sccc12)c1cncc2ccccc12 |r|
Clc1cccc(N2CCN(CCCNC(=O)c3cc4ccccc4s3)CC2)c1Cl
O=C(NCCCN1CCN(CC1)c1ccccc1)c1ccc2ccccc2n1
O=C(NCCCN1CCN(CC1)c1ccccn1)c1cccc2ccccc12
Clc1cccc(N2CCN(CCCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
Clc1ccc(N2CCN(CCCNC(=O)c3ccc4ccccc4n3)CC2)c(Cl)c1
Clc1ccc(cc1)N1CCN(CCCNC(=O)c2ccc3ccccc3c2)CC1
O=C(NCCCN1CCN(CC1)c1ncccn1)c1ccc2ccccc2c1
Clc1cc(Cl)cc(c1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Clc1ccc(cc1)N1CCN(CCCNC(=O)c2cc3ccccc3s2)CC1
FC(F)(F)c1ccc(cc1)N1CCN(CCCNC(=O)c2cc3ccccc3o2)CC1
Clc1ccc(cc1Cl)N1CCN(CCCNC(=O)c2ccc3ccccc3n2)CC1
Clc1ccc(cc1)N1CCN(CCCNC(=O)c2ccc3ccccc3n2)CC1
COc1ccccc1N1CCN(CCCNC(=O)c2ccc3ccccc3n2)CC1
Cc1ccc(cc1)N1CCN(CCCNC(=O)c2ccc3ccccc3n2)CC1
Cc1ccc(cc1)N1CCN(CCCNC(=O)c2ccc3ccccc3c2)CC1
O=C(NCCCN1CCN(CC1)c1ncccn1)c1ccc2ccccc2n1
Clc1cccc(N2CCN(CCCNC(=O)c3ccc4ccccc4c3)CC2)c1Cl
O=C(NCCCN1CCN(CC1)c1ccccn1)c1ccc2ccccc2c1
Clc1cccc(N2CCN(CCCNC(=O)c3cccc4ccccc34)CC2)c1Cl
Clc1cc(Cl)cc(c1)C(=O)NCCCN1CCN(CC1)c1ncccn1
Clc1cc(Cl)cc(c1)C(=O)NCCCN1CCN(CC1)c1ccccn1
COc1ccccc1N1CCN(CCCNC(=O)c2ccc(cc2)-c2ccccc2)CC1
COc1ccc(cc1)N1CCN(CCCNC(=O)c2ccc3ccccc3n2)CC1
Clc1cccc(N2CCN(CCCNC(=O)c3ccc4ccccc4n3)CC2)c1Cl
O=C(NCCCN1CCN(CC1)c1ccccn1)c1ccc2ccccc2n1
Clc1cccc(N2CCN(CCCNC(=O)c3ccc(cc3)-c3ccccc3)CC2)c1Cl
O=C(NCCCN1CCN(CC1)c1ncccn1)c1cccc2ccccc12
N#Cc1ccc2[nH]cc(CCN3CCN(CC3)c3ccccc3-c3ccccc3)c2c1
Fc1ccc2[nH]cc(CCN3CCN(CC3)c3ccccc3-c3ccccc3F)c2c1
Fc1cc(N2CCN(CCc3coc4ccccc34)CC2)c2ncccc2c1
C(Cc1cc2ccccc2o1)N1CCN(CC1)c1ccccc1-c1ccccc1
Fc1ccc2[nH]cc(CCN3CCN(CC3)c3ccccc3-c3ccccc3)c2c1
Fc1ccc(cc1)-c1ccccc1N1CCN(CCc2c[nH]c3ccc(F)cc23)CC1
Fc1cccc(c1)-c1ccccc1N1CCN(CCc2c[nH]c3ccc(F)cc23)CC1
Fc1ccc2[nH]cc(CCCN3CCN(CC3)c3ccccc3-c3ccccc3)c2c1
Fc1cccc(c1)-c1cc(F)ccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
Fc1cccc(c1)-c1c(F)cccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
Fc1cccc(c1)-c1ccc(F)cc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
Cc1cccc(c1)-c1ccccc1N1CCN(CCc2c[nH]c3ccc(F)cc23)CC1
Cc1ccc(cc1)-c1ccccc1N1CCN(CCc2c[nH]c3ccc(F)cc23)CC1
Fc1cccc(c1)-c1ccccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
Fc1cccc(c1)-c1cc(F)ccc1N1CCN(CCCCc2c[nH]c3ccc(F)cc23)CC1
Fc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(c1)-c1ccccc1
C(Cc1coc2ccccc12)N1CCN(CC1)c1ccccc1-c1ccccc1
OC1(CCN(CCCN(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
COc1ccc(cc1)N(CCCCN1CCC(O)(CC1)c1ccc(Cl)c(c1)C(F)(F)F)c1ccc(OC)cc1
OC1(CCN(CCCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
OC1(CCN(CCCC(c2ccccc2)c2ccccc2)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
CN(CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1)Cc1ccc(cc1)C(=O)c1ccc(OCC#C)cc1 |r|
CN(C)CCC[C@]1(OCc2cc(CNC(=O)c3cc(CN=[N+]=[N-])cc(c3)N=[N+]=[N-])ccc12)c1ccc(F)cc1 |r|
CN(C)CCC[C@]1(OCc2cc(CNC(=O)c3ccc(cc3)C(=O)c3ccc(OCC#C)cc3)ccc12)c1ccc(F)cc1 |r|
Brc1ccc(cc1)N1CCN(CCCOc2ccc3ccccc3c2)CC1
C(COc1ccc2ccccc2c1)CN1CCC(Cc2ccccc2)CC1
COc1ccccc1N1CCN(CCCOc2ccc3ccccc3c2)CC1
FC(F)(F)c1ccc(cc1)N1CCN(CCCCOc2ccc3ccccc3c2)CC1
Clc1ccc(N2CCN(CCCCOc3ccc4ccccc4c3)CC2)c(Cl)c1
Brc1ccc(cc1)N1CCN(CCCCOc2ccc3ccccc3c2)CC1
COc1ccccc1N1CCN(CCCCOc2ccc3ccccc3c2)CC1
Fc1ccc(cc1)N1CCN(CCOc2ccc3ccccc3c2)CC1
Clc1cccc(c1)N1CCN(CCOc2ccc3ccccc3c2)CC1
C(CN1CCC(CC1)c1ccccc1)Cn1nnnc1C(c1ccccc1)c1ccccc1
Fc1ccc(cc1)N1CCN(CCCCOc2ccc3ccccc3c2)CC1
C(CN1CCN(CC1)c1ccccn1)Oc1ccc2ccccc2c1
Fc1cccc(F)c1N1CCN(CCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCCC(=O)c2cc3CCN4c3c(CCC4=O)c2)CC1
Cc1ccc2CCC(CC3CN=CN3)=Cc2c1 |c:11,14|
C(c1c[nH]cn1)C1=Cc2ccccc2CC1 |t:7|
CC1(C)CC(CC2CN=CN2)=Cc2ccccc12 |c:8,11|
[H][C@]1(C[C@@]23CC2c2ccccc2CC3)CN=CN1 |c:18|
C1C2(CC11CN=CN1)Cc1ccccc1C2 |c:6|
Cc1ccc2CCC(CC3CN=C(N)O3)=Cc2c1 |c:15,t:11|
[H][C@@]1(C[C@@]23CC2c2ccccc2CC3)CN=CN1 |c:18|
Cc1cccc2CCC(CC3CN=CN3)=Cc12 |c:12,15|
Clc1cccc2CCC(CC3CN=CN3)=Cc12 |c:12,15|
[H][C@@]1(CN=CN1)C1C[C@@]11CCc2ccccc2C1 |c:3|
C(C1Cc2ccccc2C1)C1CN=CN1 |c:14|
Clc1cccc2ccc(CC3CN=CN3)cc12 |c:12|
Cc1cc2CC(CC3CN=CN3)Cc2cc1C |c:9|
C(C1CN=CN1)c1cc2cc(ccc2o1)-c1ccccc1 |c:3|
C[C@@]1(C[C@@H]2CN=CN2)CCc2ccccc2C1 |c:5|
Cc1ccc2C=C(CC3CN=C(N)O3)CCc2c1 |t:5,10|
Clc1cccc2CCC(CC3CN=CN3)Cc12 |c:12|
C(C1CN=CN1)C1CCc2ccccc2C1 |c:3|
COc1cccc2CCC(CC3CN=CN3)=Cc12 |c:13,16|
C(C1CNC=N1)C1CCc2ccccc2O1 |c:4|
NC1=NC(CC2=Cc3ccccc3CC2)CO1 |t:1,5|
Fc1cccc2CCC(CC3CN=CN3)=Cc12 |c:12,15|
FC(F)(F)c1ccc2CCC(CC3CN=CN3)=Cc2c1 |c:14,17|
[H][C@]12CC[C@]3(CN=CN3)C[C@]1([H])Cc1ccccc1C2 |c:6|
C(C1CN=CN1)C1=Cc2ccccc2C1 |c:3,t:7|
C(C1CN=CN1)c1cc2ccccc2o1 |c:3|
[H][C@]1(CN=CN1)C1CC11Cc2ccccc2C1 |c:3|
[H][C@]12Cc3ccccc3C[C@@]1([H])[C@]2([H])C1CN=CN1 |c:19|
Fc1ccc2oc(CC3CN=CN3)cc2c1 |c:10|
Fc1cc2CC(CC3CN=CN3)Cc2cc1F |c:9|
Cc1ccc2C=C(CC3CN=CN3)CCc2c1 |c:10,t:5|
[H][C@]1(CN=CN1)C1C[C@@]11CCc2ccccc2C1 |c:3|
[H][C@]12Cc3ccccc3C[C@@]1([H])[C@@]2([H])C1CN=CN1 |c:19|
CC1(CC2=Cc3ccccc3CC2)CN=CN1 |c:16,t:3|
Fc1cccc2CC(CC3CN=CN3)Cc12 |c:11|
C[C@@]1(C[C@H]2CN=CN2)CCc2ccccc2C1 |c:5|
COc1ccc2CCC(CC3CN=CN3)=Cc2c1 |c:12,15|
CCC1(Cc2ccccc2C1)c1cnc[nH]1
C(C1CN=CN1)C1COc2ccccc2O1 |c:3|
[H][C@@]12CCc3ccccc3[C@]1([H])[C@@]2([H])[C@]1([H])CN=CN1 |c:20|
[H][C@@]1(CN=CN1)C1CC11Cc2ccccc2C1 |c:3|
CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(N)[C@H](O)[C@H](C)O1)c(Cl)c2 |r|
C(C1CN=CN1)C1=Cc2ccccc2CC1 |c:3,t:7|
[H][C@]12CC[C@@]3(CN=CN3)C[C@]1([H])Cc1ccccc1C2 |c:6|
NC1=NC(CC2=Cc3ccccc3CC2)CN1 |t:1,5|
C(C1CN=CN1)C1=Cc2ccccc2OC1 |c:3,t:7|
NC1=NCC(CC2=Cc3ccccc3CC2)O1 |t:1,6|
Fc1ccc2CCC(CC3CN=CN3)=Cc2c1 |c:11,14|
C(CN(Cc1ccccc1)c1ccccc1)CN1CCN(CCCc2ccccc2)CC1
COc1ccc(cc1)N(CCN1CCN(CCCc2ccccc2)CC1)Cc1ccccc1
C(CN1CCN(CCN(Cc2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Fc1ccc(CN(CCCN2CCN(CCCc3ccccc3)CC2)c2ccccn2)cc1
Cc1ccc(\C=C\CN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
COc1ccc(CN(CCCN2CCN(CCCc3ccccc3)CC2)c2ccccn2)cc1
O=C(CCCCN1CCN(CCCc2ccccc2)CC1)N(Cc1ccccc1)c1ccccc1
Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(Cl)cc1Cl
C(CN(Cc1ccccc1)c1ccccn1)CN1CCN(CCCc2ccccc2)CC1
Fc1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccc(F)cc3)CC2)cc1
Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccccc1
Fc1ccc(CN(CCN2CCN(CCCc3ccccc3)CC2)c2ccccn2)cc1
C(CCN1CCN(CCCc2ccccc2)CC1)CN(Cc1ccccc1)c1ccccc1
Fc1ccc(\C=C\CN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Cc1ccc(CN(CCN2CCN(CCCc3ccccc3)CC2)c2ccccc2)cc1
C(CN1CCN(C\C=C\c2ccccc2)CC1)N(Cc1ccccc1)c1ccccn1
COc1ccc(cc1)N(CCN1CCN(C\C=C\c2ccccc2)CC1)Cc1ccccc1
Fc1ccc(CN(CCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1
Fc1ccc(\C=C\CN2CCN(CCOC(c3ccccc3)c3ccc(F)cc3)CC2)cc1
Fc1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(Cl)cc1
C(CCN(Cc1ccccc1)c1ccccc1)CCN1CCN(CCCc2ccccc2)CC1
COc1cccc(c1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1cccc(Br)c1
C(CN1CCN(C\C=C\c2ccccc2)CC1)N(Cc1ccccc1)c1ccccc1
Fc1ccc(CN(CCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1
O=C(CN1CCN(CCCc2ccccc2)CC1)N(Cc1ccccc1)c1ccccc1
Fc1ccc(cc1)C(OCCN1CCN(CC1)C(=O)\C=C\c1ccccc1Cl)c1ccc(F)cc1
Fc1ccc(\C=C\CN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccccc1
Fc1ccc(cc1)C(OCCN1CCN(C\C=C\Cc2ccccc2)CC1)c1ccc(F)cc1
COc1ccc(\C=C\C(=O)N2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
COc1ccc(CN(CCN2CCN(CCCc3ccccc3)CC2)c2ccccn2)cc1
Fc1ccc(cc1)C(OCCN1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(CCCN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Cc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccccc1
O=C(CCCN1CCN(CCCc2ccccc2)CC1)N(Cc1ccccc1)c1ccccc1
Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccc(Cl)cc2)CC1)c1ccc(F)cc1
Clc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(Cl)cc1
Brc1ccc(CN(CCN2CCN(CCCc3ccccc3)CC2)c2ccc(Br)cc2)cc1
COc1ccc(CN(CCN2CCN(C\C=C\c3ccccc3)CC2)c2ccccn2)cc1
O=C(CCCN1CCN(CCCc2ccccc2)CC1)N(Cc1ccccc1)c1ccccn1
CN(CCN1CCN(CCCc2ccccc2)CC1)CCc1ccccc1
COc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccccc1
Cc1ccc(\C=C\C(=O)N2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
COc1ccc(OC)c(\C=C\CN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1
Fc1ccc(cc1)C(OCCN1CCN(CC1)C(=O)\C=C\c1c(Cl)cccc1Cl)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(CC1)C(=O)\C=C\c1ccc(Cl)cc1)c1ccc(F)cc1
C(CN1CCN(CCN(Cc2ccccc2)c2ccccn2)CC1)Cc1ccccc1
COc1ccc(OC)c(\C=C\C(=O)N2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1
CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1
O=C1COc2ccc(OC3CCN(CCOc4cccc5[nH]c(cc45)C#N)CC3)cc2N1
O=C1COc2ccc(OCC3CCCN(CCOc4cccc5ncccc45)C3)cc2N1
O=C1COc2ccc(CC3CCN(CCOc4cccc5ncccc45)CC3)cc2N1
O=C1COc2ccc(OC3CCN(CCOc4cccc5[nH]ccc45)CC3)cc2N1
O=C1COc2ccc(OC3CCN(CCOc4cccc5cccnc45)CC3)cc2N1
O=C1COc2ccc(OCC3CCN(CCOc4cccc5ncccc45)C3)cc2N1
O=C1COc2ccc(OC3CCN(CCOc4nccc5ccccc45)CC3)cc2N1
CC1(C)OC2C=CC=CC2=C1OCCN1CCC(CC1)Oc1ccc2OCC(=O)Nc2c1 |c:5,7,10|
O=C1COc2ccc(OC3CCN(CCOc4cccc5ccccc45)CC3)cc2N1
O=C1COc2ccc(CN3CCN(CCOc4cccc5ncccc45)CC3)cc2N1
O=C1COc2ccc(OC3CCN(CCOc4cccc5ncccc45)CC3)cc2N1
Cc1ccc2c(OCCN3CCN(Cc4ccc(C)c(c4)[N+]([O-])=O)CC3)cccc2n1
Cc1ccc2c(OCCN3CCN(Cc4ccc(Cl)c(c4)[N+]([O-])=O)CC3)cccc2n1
Cc1ccc2c(OCCN3CCN(Cc4c(Cl)cccc4Cl)CC3)cccc2n1
Cc1ccc2c(OCCN3CCN(Cc4ccc(F)c(c4)[N+]([O-])=O)CC3)cccc2n1
Cc1ccc2c(OCCN3CCN(Cc4ccc(O)c(c4)[N+]([O-])=O)CC3)cccc2n1
Cc1ccc2c(OCCN3CCN(Cc4cccc5cc[nH]c45)CC3)cccc2n1
Cc1ccc2c(OCCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cccc2n1
Cc1ccc2c(OCCN3CCN(CN4OC5=CCC(=O)C=C5C=C4)CC3)cccc2n1 |c:21,24,t:16|
Cc1ccc2c(OCCN3CCN(Cc4cccc5[nH]cnc45)CC3)cccc2n1
Cc1ccc2c(OCCN3CCN(Cc4cc(Cl)ccc4Cl)CC3)cccc2n1
C[n+]1ccc(cc1)-c1ccc(SS(C)(=O)=O)cc1
C[N+](C)(C)CCSS(C)(=O)=O
C[n+]1ccc(cc1)-c1ccccc1
CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl
Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4F)CC3)cc(Cl)cc2n1
Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cc(cc2n1)C#N
Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cc(Cl)cc2n1
Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)ccc(F)c2n1
Cc1ccc2c(OCCN3CCC(Cc4cc5NC(=O)COc5cc4F)CC3)cccc2n1
Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)ccc(Cl)c2n1
Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5OCC(=O)Nc5c4)CC3)cc(Cl)cc2n1
Cc1ccc2c(OCCN3CCC(Cc4cc5NC(=O)COc5cc4F)CC3)cc(F)cc2n1
Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5OCC(=O)Nc5c4)CC3)cc(F)cc2n1
Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5OCC(=O)Nc5c4)CC3)cccc2n1
Cc1ccc2c(OCCN3CCC(Cc4cc5NC(=O)COc5cc4F)CC3)cc(Cl)cc2n1
Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)c(F)ccc2n1
Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4F)CC3)cccc2n1
Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4F)CC3)cc(F)cc2n1
Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cc(F)cc2n1
[H][C@]12[#6]-[#6]-[#6](-[#6][C@]3([#6]\[#6]=[#6](\[#6])-[#6])[#6](=O)[C@]4([#6]\[#6]=[#6](\[#6])-[#6])[#6]-[#6@H](-[#6]\[#6]=[#6](\[#6])-[#6])[C@@]([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[C@]([#6](=O)-[#6](-[#6])-[#6])([#6]3=O)[#6]4=O)=[#6][C@]1([H])[#6@H](-[#6]-[#6][C@@]2([#6])[#8]-[#8])-[#6](-[#6])-[#6] |r,c:46,THB:44:43:6.41.12:20.21.27|
COC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
OC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
Cn1c2nc3n(CCCN4CCN(CC4)c4ccccc4)ccn3c2c(=O)n(C)c1=O
COc1ccccc1N1CCN(CCCN2C(=O)NC3(CCCc4ccccc34)C2=O)CC1
COc1ccccc1N1CCN(CCCn2c(cn3c2nc2n(C)c(=O)n(C)c(=O)c32)-c2ccccc2)CC1
O=C1NC2(CCCc3ccccc23)C(=O)N1CCCN1CCc2ccccc2C1
FC(F)(F)c1cccc(c1)N1CCN(CCCN2C(=O)NC3(CCCc4ccccc34)C2=O)CC1
Clc1cccc(c1)N1CCN(CCCN2C(=O)NC3(CCCc4ccccc34)C2=O)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCN2C(=O)NC3(CCc4ccccc34)C2=O)CC1
COc1ccccc1N1CCN(CCCN2C(=O)NC3(CCc4ccccc34)C2=O)CC1
Cn1c2nc3n(CCCN4CCN(CC4)c4cccc(Cl)c4)c(cn3c2c(=O)n(C)c1=O)-c1ccccc1
Cn1c2nc3n(CCCN4CCN(CC4)c4ccccc4)c(cn3c2c(=O)n(C)c1=O)-c1ccccc1
Cc1cn2c(nc3n(C)c(=O)n(C)c(=O)c23)n1CCCN1CCc2ccccc2C1
Cc1cn2c(nc3n(C)c(=O)n(C)c(=O)c23)n1CCCN1CCN(CC1)c1cccc(Cl)c1
COc1ccccc1N1CCN(CCCn2c(C)cn3c2nc2n(C)c(=O)n(C)c(=O)c32)CC1
COc1ccccc1N1CCN(CCCn2ccn3c2nc2n(C)c(=O)n(C)c(=O)c32)CC1
Cc1cn2c(nc3n(C)c(=O)n(C)c(=O)c23)n1CCCN1CCN(CC1)c1ccccc1
Clc1cccc(c1)N1CCN(CCCN2C(=O)NC3(CCc4ccccc34)C2=O)CC1
O=C1NC2(CCCc3ccccc23)C(=O)N1CCCN1CCN(CC1)c1ccccc1
Cn1c2nc3n(CCCN4CCc5ccccc5C4)c(cn3c2c(=O)n(C)c1=O)-c1ccccc1
Cn1c2nc3n(CCCN4CCN(CC4)c4cccc(Cl)c4)ccn3c2c(=O)n(C)c1=O
Cc1cn2c(nc3n(C)c(=O)n(C)c(=O)c23)n1CCCN1CCN(CC1)c1cccc(Cl)c1Cl
O=C1NC2(CCc3ccccc23)C(=O)N1CCCN1CCN(CC1)c1ccccc1
C(Cc1ccc2[nH]cnc2c1)N1CCN(CC1)c1cccc2ccccc12
[H][C@]1(CCNC1)[C@H](Oc1c(F)c(F)cc(F)c1F)c1ccccc1 |r|
[H][C@]1(CCNC1)[C@H](Oc1ccccc1[N+]([O-])=O)c1ccccc1 |r|
[H][C@]1(CCNC1)[C@H](Oc1ccccc1C)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1c(F)cc(Cl)cc1Cl)c1ccccc1 |r|
[H][C@]1(CCNC1)[C@H](Oc1c(Cl)c(F)cc(F)c1Cl)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1c(Cl)ccc(Cl)c1Cl)c1ccccc1 |r|
[H][C@]1(CCNC1)[C@H](Oc1cc(Cl)cc(Cl)c1Cl)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1ccc(Cl)cc1C)c1ccccc1 |r|
[H][C@]1(CCNC1)[C@H](Oc1ccc(Cl)cc1OC)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1ccc(Cl)cc1OC)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1c(F)cccc1F)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1ccc(F)cc1F)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1ccc(Cl)cc1Cl)c1ccccc1 |r|
[H][C@]1(CCNC1)[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1cccc(Cl)c1Cl)c1ccccc1 |r|
[H][C@]1(CCNC1)[C@H](Oc1ccccc1F)c1ccccc1 |r|
[H][C@]1(CCNC1)[C@H](Oc1ccc(Cl)cc1)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1cccc(Cl)c1)c1ccccc1 |r|
[H][C@]1(CCNC1)[C@@H](Oc1ccccc1OC)c1ccccc1 |r|
[H][C@]1(CCNC1)[C@H](Oc1ccccc1OC)c1ccccc1 |r|
CCN(CC)C(=O)C1(CC1CN)c1ccccc1
[H][C@@]1(CCNC1)[C@@H](Oc1c(Cl)cc(Cl)cc1-c1ccccn1)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1c(C)cc(Cl)cc1-c1ccccn1)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1c(F)c(F)cc(F)c1F)c1ccccc1 |r|
[H][C@]1(CCNC1)[C@H](Oc1c(Cl)ccc(Cl)c1Cl)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1ccc(Cl)cc1F)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1ccc(cc1OC)[N+]([O-])=O)c1ccccc1 |r|
[H][C@]1(CCNC1)[C@H](Oc1ccccc1Cl)c1ccccc1 |r|
[H][C@]1(CCNC1)[C@H](Oc1cc(F)cc(F)c1)c1ccccc1 |r|
[H][C@]1(CCNC1)[C@H](Oc1c(Cl)cccc1Cl)c1ccccc1 |r|
[H][C@]1(CCNC1)[C@@H](Oc1c(F)ccc(F)c1Cl)c1ccccc1 |r|
[H][C@]1(CCNC1)[C@H](Oc1c(F)ccc(F)c1Cl)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1c(Cl)c(F)cc(F)c1Cl)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1cc(Cl)cc(Cl)c1Cl)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1c(Cl)cccc1Cl)c1ccccc1 |r|
[H][C@]1(CCNC1)[C@H](Oc1cccc(c1)C#N)c1ccccc1 |r|
[H][C@]1(CCNC1)[C@H](Oc1cccc(Cl)c1)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@H](Oc1ccccc1OC)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1ccccc1C)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1c(F)ccc(F)c1F)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1ccccc1Cl)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@H](Oc1c(F)ccc(F)c1Cl)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1c(F)ccc(F)c1Cl)c1ccccc1 |r|
[H][C@]1(CCNC1)[C@H](Oc1cc(Cl)cc(Cl)c1)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1ccccc1OC)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1cc(Cl)cc(Cl)c1)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1 |r|
CCNC[C@@H]1CCC[C@H]1c1ccc2[nH]cc(C#N)c2c1 |r|
CNC[C@@H]1CCC[C@H]1c1ccc2[nH]cc(C#N)c2c1 |r|
CN(C)C[C@@H]1CCC[C@H]1c1ccc2n(C)cc(C#N)c2c1 |r|
CN(C)C[C@@H]1C[C@H]1c1ccc2[nH]cc(C#N)c2c1 |r|
CN(C)C[C@@H]1C[C@H]1c1ccc2[nH]ccc2c1 |r|
CN(C[C@@H]1CCC[C@H]1c1ccc2[nH]cc(C#N)c2c1)Cc1ccccc1 |r|
CN(C)C[C@H]1CCC[C@H]1c1ccc2[nH]cc(C#N)c2c1 |r|
CN(C)C[C@H]1C[C@@H]1Cc1ccc2[nH]cc(C#N)c2c1 |r|
CCN(CC)C[C@@H]1CCC[C@H]1c1ccc2[nH]cc(C#N)c2c1 |r|
CCN(C)C[C@@H]1CCC[C@H]1c1ccc2[nH]cc(C#N)c2c1 |r|
CN(C)C[C@@H]1CCC[C@H]1c1ccc2[nH]cc(C#N)c2c1 |r|
CNC[C@H]1CCC[C@H]1c1ccc2[nH]cc(C#N)c2c1 |r|
N#Cc1c[nH]c2ccc(cc12)[C@@H]1CCC[C@H]1CN1CCCC1 |r|
CN1CC(C1)(OCc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1
CN1CC(C1)(OCc1ccccc1)c1ccc(Cl)c(Cl)c1
CN1CC(C1)(OCc1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC(C1)(OCc1ccc(Cl)c(Cl)c1)c1ccccc1
Clc1ccc(cc1Cl)C1(CNC1)OCc1ccccc1
Clc1ccc(cc1)C1(CNC1)OCc1ccc(Cl)c(Cl)c1
Clc1ccc(cc1)C1(CNC1)OCc1ccccc1
Clc1ccc(COC2(CNC2)c2ccccc2)cc1Cl
CN1CC(C1)(OCc1ccccc1)c1ccccc1
CN1CC(C1)(OCc1ccc(Cl)cc1)c1ccccc1
Clc1ccc(COC2(CNC2)c2ccccc2)cc1
CN1CC(C1)(OCc1ccccc1)c1ccc(Cl)cc1
C(OC1(CNC1)c1ccccc1)c1ccccc1
CN1CC(C1)(OCc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1
Clc1ccc(COC2(CNC2)c2ccc(Cl)c(Cl)c2)cc1
Clc1ccc(COC2(CNC2)c2ccc(Cl)cc2)cc1
Clc1ccc(COC2(CNC2)c2ccc(Cl)c(Cl)c2)cc1Cl
CN1CC(C1)(OCc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1
COC[C@H](C1CCNCC1)c1ccc(Cl)c(Cl)c1
CN(C)OC(=O)C(C1CCNCC1)c1ccc(Cl)c(Cl)c1
COC[C@@H](C1CCNCC1)c1ccc(Cl)c(Cl)c1
COCC(C1CCNCC1)c1ccc(Cl)cc1
CCCC(=O)C(C1CCNCC1)c1ccc(Cl)c(Cl)c1
COCC(C1CCNCC1)c1ccc(F)c(Cl)c1
CC(=O)C(C1CCNCC1)c1ccc(Cl)c(Cl)c1
CC(C1CCNCC1)c1ccc(Cl)c(Cl)c1
COCC(C1CCNCC1)c1ccc(Cl)c(Cl)c1
CCSCC(C1CCNCC1)c1ccc(Cl)c(Cl)c1
CSCC(C1CCNCC1)c1ccc(Cl)c(Cl)c1
COCC(C1CCNCC1)c1ccc2ccccc2c1
CS(=O)(=O)CC(C1CCNCC1)c1ccc(Cl)c(Cl)c1
CCOCC(C1CCNCC1)c1ccc(Cl)c(Cl)c1
CCOC(=O)C(C1CCNCC1)c1ccc(Cl)c(Cl)c1
COCC(C1CCNCC1)c1cccc(Cl)c1
COC(=O)C(C1CCNCC1)c1ccc(Cl)c(Cl)c1
CCC(=O)C(C1CCNCC1)c1ccc(Cl)c(Cl)c1
OCC(C1CCNCC1)c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1)C1C(CNC1=O)c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1)C1CNC(=O)C1c1ccc2ccccc2c1
Clc1ccc(cc1)C1CNC(=O)C1c1ccc(Cl)cc1
Clc1cccc(c1)C1CNC(=O)C1c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1Cl)C1CNC(=O)C1c1ccc2ccccc2c1
Clc1ccccc1N1CCN(CCc2ccccc2)CC1
Clc1ccccc1N1CCN(CCCc2ccccc2)CC1
Clc1cccc(c1)N1CCN(CCc2ccccc2)CC1
C(CN1CCN(CC1)c1ccccn1)Cc1ccccc1
Clc1ccc(cc1)N1CCN(CCc2ccccc2)CC1
Clc1cccc(c1)N1CCN(CCCc2ccccc2)CC1
Clc1ccc(cc1)N1CCN(CCCc2ccccc2)CC1
CN(C)CCCC1(OCc2cc(CNCc3csc4ccccc34)ccc12)c1ccc(F)cc1
CN(CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1)Cc1c[nH]c2ccccc12
CN(CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1)Cc1ccnc2ccccc12
CN(CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1)CCc1ccccc1
CN(CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1)CC1CC1
CN(C)CCCC(O)(c1ccc(Br)cc1)c1ccc(cc1CO)C#N
CN(C)CCCC1(OCc2cc(CNCc3ccc-4c(Cc5ccccc-45)c3)ccc12)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(CN)ccc12)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(CN(C)CCCC3(OCc4cc(ccc34)C#N)c3ccc(F)cc3)ccc12)c1ccc(F)cc1
COc1ccc2[nH]cc(CN(C)CCCC3(OCc4cc(ccc34)C#N)c3ccc(F)cc3)c2c1
CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(Br)cc1
CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(cc1)-c1cccc(c1)C#N
CN(CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1)Cc1csc2ccccc12
CN(CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1)C1CCC(=CC1)c1c[nH]c2ccccc12 |c:29|
CN(CCN)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
CN(CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1)Cc1ccc-2c(Cc3ccccc-23)c1
CN(CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1)Cc1ccc2ccccc2c1
CN(CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1)Cc1ccncc1
CN(CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1)Cc1ccc(cc1)N(C)C
CN(CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1)Cc1coc2ccccc12
CCCCN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
CN(C)CCCC1(COc2ccc(Br)cc12)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(cc1)-c1cccc(N)c1
CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(\C=C\c2ccccc2)cc1
CN(C)CCCC1(OCc2c1cccc2I)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(\C=C\Cc3ccccc3)ccc12)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(ccc12)-c1ccc(cc1)[N+]([O-])=O)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(CNCc3ccc4c(COC4(CCCN(C)C)c4ccc(F)cc4)c3)ccc12)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(CNCc3coc4ccccc34)ccc12)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(CN3CCN(CC3)c3cccc(Cl)c3Cl)ccc12)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(CN3CCOCC3)ccc12)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(CN3CCCCC3)ccc12)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(ccc12)C(N)=O)c1ccc(F)cc1
COC(=O)c1ccc2c(COC2(CCCN(C)C)c2ccc(F)cc2)c1
CN(CCCCc1ccccc1)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(CN(C)C)ccc12)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(CN3CCN(CC3)c3ccccc3)ccc12)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(C=O)ccc12)c1ccc(F)cc1
COc1ccccc1N1CCN(Cc2ccc3c(COC3(CCCN(C)C)c3ccc(F)cc3)c2)CC1
CCCN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(CNCc3ccc4ccccc4c3)ccc12)c1ccc(F)cc1
COc1ccc2[nH]cc(CCCN3CCN(CCCc4c[nH]c5ccc(F)cc45)CC3)c2c1
COc1ccc2[nH]cc(CCCN3CCN(CCCc4c[nH]c5ccc(OC)cc45)CC3)c2c1
COc1ccc2[nH]cc(CCCN3CCN(CCCc4c[nH]c5ccc(Br)cc45)CC3)c2c1
COc1ccc2[nH]cc(CCCN3CCN(CCCc4c[nH]c5ccccc45)CC3)c2c1
Fc1ccc2[nH]cc(CCCN3CCN(CCCc4c[nH]c5ccccc45)CC3)c2c1
Brc1ccc2[nH]cc(CCCN3CCN(CCCc4c[nH]c5ccccc45)CC3)c2c1
Fc1ccc2[nH]cc(CCCN3CCN(CCCc4c[nH]c5ccc(F)cc45)CC3)c2c1
Fc1ccc2[nH]cc(CCCN3CCN(CCCc4c[nH]c5ccc(Br)cc45)CC3)c2c1
Brc1ccc2[nH]cc(CCCN3CCN(CCCc4c[nH]c5ccc(Br)cc45)CC3)c2c1
C(CN1CCN(CCCc2c[nH]c3ccccc23)CC1)Cc1c[nH]c2ccccc12
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C\C=C\I |r,THB:19:18:4.10.9:6.7|
[H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(O)=O)N2C\C=C\I |r|
[H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)OCCF)N2C\C=C\I |r|
[H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)OC)N2C\C=C\I |r|
[O-][S+](CCNCCCc1ccccc1)C(c1ccc(Br)cc1)c1ccc(Br)cc1
[O-][S+](CCNCCCc1ccccc1)C(c1ccc(F)cc1)c1ccc(F)cc1
NCC[S+]([O-])C(c1ccccc1)c1ccccc1
[O-][S+](CC(=O)NCCCc1ccccc1)C(c1ccc(Br)cc1)c1ccc(Br)cc1
[O-][S+](CCNCCCc1ccccc1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
CCCCNCC[S+]([O-])C(c1ccccc1)c1ccccc1
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2c(F)cccc2N(CC(F)(F)F)C1=O
CNCc1cc(ccc1Cl)OCc2ccc3ccc(nc3c2)N
COc1ccc2[nH]cc(C3CCN(CCN4C(=O)CC(C4=O)c4c[nH]c5ccc(F)cc45)CC3)c2c1
COc1ccc2[nH]cc(C3CC(=O)N(CCN4CCC(CC4)c4c[nH]c5ccc(OC)cc45)C3=O)c2c1
Fc1ccc2[nH]cc(C3CC(=O)N(CCN4CCC(CC4)c4c[nH]c5ccc(F)cc45)C3=O)c2c1
COc1ccc2[nH]cc(C3CCN(CCCN4C(=O)CC(C4=O)c4c[nH]c5ccc(F)cc45)CC3)c2c1
Fc1ccc2[nH]cc(C3CC(=O)N(CCCN4CCC(CC4)c4c[nH]c5ccc(F)cc45)C3=O)c2c1
Fc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCC(CC4)c4c[nH]c5ccccc45)C3=O)c2c1
COc1ccc2[nH]cc(C3CC(=O)N(CCN4CCC(CC4)c4c[nH]c5ccc(F)cc45)C3=O)c2c1
COc1ccc2[nH]cc(C3CC(=O)N(CCN4CCC(CC4)c4c[nH]c5ccccc45)C3=O)c2c1
COc1ccc2[nH]cc(C3CC(=O)N(CCCN4CCC(CC4)c4c[nH]c5ccc(F)cc45)C3=O)c2c1
COc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCC(CC4)c4c[nH]c5ccc(OC)cc45)C3=O)c2c1
COc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCC(CC4)c4c[nH]c5ccccc45)C3=O)c2c1
Fc1ccc2[nH]cc(C3CC(=O)N(CCN4CCC(CC4)c4c[nH]c5ccccc45)C3=O)c2c1
Fc1ccc2[nH]cc(C3CC(=O)N(CCCN4CCC(CC4)c4c[nH]c5ccccc45)C3=O)c2c1
COc1ccc2[nH]cc(C3CC(=O)N(CCCN4CCC(CC4)c4c[nH]c5ccc(OC)cc45)C3=O)c2c1
COc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCC(CC4)c4c[nH]c5ccc(F)cc45)C3=O)c2c1
COc1ccc2[nH]cc(C3CC(=O)N(CCCN4CCC(CC4)c4c[nH]c5ccccc45)C3=O)c2c1
Fc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCC(CC4)c4c[nH]c5ccc(F)cc45)C3=O)c2c1
COc1ccc2[nH]cc(C3CCN(CCCCN4C(=O)CC(C4=O)c4c[nH]c5ccc(F)cc45)CC3)c2c1
CN(C)C(=O)Oc1ccc(CN2CCN(CC#C)CC2)c2cccnc12
CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
COCc1ccc(cc1)-c1ccc(cc1)N(C[C@@H](N)[C@@H](C)OC)C(=O)[C@@H]1C[C@H]1c1ccccn1
N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3c4CCCCc4nc4ccccc34)c2c1
CN(C)C(=O)Oc1ccc2C(CCOc3ccc(cc3)[N+]([O-])=O)N(C)CC=Cc2c1
CN(C)C(=O)Oc1ccc(cc1)[C@@H](N)CCOc1ccc(cc1)[N+]([O-])=O |r|
CN(C)C(=O)Oc1ccc2[C@@H](CCOc3ccc(cc3)[N+]([O-])=O)NCC=Cc2c1 |r,c:26|
CN[C@H](CCOc1ccc(cc1)[N+]([O-])=O)c1ccc(OC(=O)N(C)C)cc1
N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3c4CCCc4nc4ccccc34)c2c1
CNC(CCOc1ccc(cc1)[N+]([O-])=O)c1ccc(OC(=O)N(C)C)cc1
CN(C)C(=O)Oc1ccc2[C@H](CCOc3ccc(cc3)[N+]([O-])=O)N(C)CC=Cc2c1
CCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
CCCCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
COc1cc(\C=C\C(O)=O)cc(OC)c1OC
FC(F)Oc1ccc(NC(=O)NC2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cn1
COc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(OC)cc23)c1=O
Clc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(33.29,-6.1,;31.96,-5.32,;31.97,-3.79,;30.64,-3.01,;29.3,-3.78,;29.3,-5.32,;30.63,-6.09,;30.62,-7.62,;29.29,-8.39,;27.96,-7.61,;26.63,-8.39,;26.63,-9.93,;27.96,-10.69,;29.28,-9.93,;30.61,-10.7,;30.6,-12.24,;31.94,-9.94,;33.27,-10.72,;34.61,-9.96,;35.94,-10.74,;37.28,-9.97,;38.61,-10.75,;39.94,-9.99,;41.27,-10.78,;41.25,-12.32,;39.91,-13.08,;38.59,-12.3,;39.9,-14.62,;38.65,-15.51,;39.11,-16.98,;40.64,-16.99,;41.66,-18.14,;43.17,-17.84,;43.65,-16.37,;42.64,-15.23,;41.14,-15.53,;31.95,-8.4,;33.29,-7.64,)|
Fc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5)c5CCCCn5c4=O)C3)c2c1
COc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O
Fc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(55.11,-5.24,;53.78,-4.47,;53.79,-2.93,;52.45,-2.15,;51.11,-2.93,;51.12,-4.46,;52.44,-5.23,;52.44,-6.77,;51.11,-7.54,;49.78,-6.76,;48.45,-7.54,;48.45,-9.08,;49.78,-9.84,;51.1,-9.08,;52.42,-9.85,;52.42,-11.39,;53.76,-9.09,;55.09,-9.87,;56.43,-9.1,;57.76,-9.88,;59.1,-9.12,;60.43,-9.9,;61.75,-9.14,;63.08,-9.92,;63.07,-11.47,;61.73,-12.22,;60.41,-11.44,;61.72,-13.76,;60.46,-14.65,;60.93,-16.12,;62.46,-16.13,;63.48,-17.29,;64.98,-16.98,;65.47,-15.52,;64.45,-14.37,;62.95,-14.68,;53.77,-7.55,;55.11,-6.79,)|
Cc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(77.72,-5.34,;76.39,-4.57,;76.4,-3.03,;75.06,-2.26,;73.72,-3.03,;73.73,-4.57,;75.05,-5.33,;75.05,-6.87,;73.72,-7.64,;72.39,-6.86,;71.06,-7.64,;71.06,-9.18,;72.39,-9.94,;73.71,-9.18,;75.03,-9.95,;75.03,-11.49,;76.37,-9.19,;77.7,-9.97,;79.04,-9.2,;80.37,-9.98,;81.71,-9.22,;83.04,-10,;84.36,-9.24,;85.69,-10.02,;85.68,-11.57,;84.34,-12.32,;83.02,-11.54,;84.33,-13.86,;83.07,-14.75,;83.54,-16.22,;85.07,-16.24,;86.09,-17.39,;87.59,-17.08,;88.08,-15.62,;87.06,-14.47,;85.56,-14.78,;76.38,-7.65,;77.72,-6.89,)|
COc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(14.06,-25.37,;12.72,-26.14,;11.39,-25.36,;11.4,-23.82,;10.06,-23.05,;8.72,-23.82,;8.73,-25.36,;10.05,-26.12,;10.05,-27.66,;8.72,-28.43,;7.39,-27.65,;6.06,-28.43,;6.06,-29.97,;7.39,-30.73,;8.71,-29.97,;10.03,-30.74,;10.03,-32.28,;11.37,-29.98,;12.7,-30.76,;14.04,-29.99,;15.37,-30.77,;16.71,-30.01,;18.04,-30.79,;19.36,-30.03,;20.69,-30.81,;20.68,-32.36,;19.34,-33.11,;18.02,-32.34,;19.33,-34.65,;18.07,-35.55,;18.53,-37.01,;20.07,-37.03,;21.09,-38.18,;22.59,-37.88,;23.08,-36.41,;22.06,-35.26,;20.56,-35.57,;11.38,-28.44,;12.72,-27.68,)|
Cc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O
COc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O
Fc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(c5CCCCn5c4=O)-c4ccccc4F)C3)c2c1 |(86.87,-54.87,;85.36,-55.18,;84.87,-56.64,;83.36,-56.95,;82.35,-55.79,;80.81,-55.78,;80.35,-54.31,;81.61,-53.42,;81.62,-51.88,;82.96,-51.12,;82.97,-49.58,;81.64,-48.8,;80.31,-49.56,;78.98,-48.78,;77.65,-49.54,;76.32,-48.76,;74.98,-49.53,;73.65,-48.75,;73.66,-47.21,;74.99,-46.45,;72.33,-46.43,;71,-47.2,;69.67,-46.42,;68.34,-47.2,;68.34,-48.74,;69.67,-49.5,;70.99,-48.74,;72.31,-49.51,;72.3,-51.05,;72.33,-44.89,;71,-44.12,;71,-42.59,;72.34,-41.81,;73.67,-42.59,;73.67,-44.13,;75,-44.9,;80.29,-51.1,;82.84,-54.34,;84.34,-54.03,)|
Cc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O |(10.75,-5.73,;9.42,-4.96,;9.42,-3.42,;8.09,-2.64,;6.75,-3.42,;6.75,-4.95,;8.08,-5.72,;8.07,-7.26,;6.74,-8.03,;5.41,-7.25,;4.08,-8.03,;4.08,-9.57,;5.41,-10.33,;6.74,-9.57,;8.06,-10.34,;8.05,-11.88,;9.4,-9.58,;10.73,-10.36,;12.06,-9.59,;13.39,-10.37,;14.73,-9.61,;16.06,-10.39,;17.39,-9.63,;18.72,-10.41,;18.7,-11.96,;17.36,-12.71,;16.04,-11.93,;17.35,-14.25,;16.1,-15.14,;16.56,-16.61,;18.1,-16.62,;19.11,-17.78,;20.62,-17.47,;21.11,-16.01,;22.61,-15.7,;20.09,-14.86,;18.59,-15.17,;9.4,-8.04,;10.74,-7.28,)|
COc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O |(34.44,-5.01,;33.1,-5.77,;31.77,-5,;31.78,-3.46,;30.44,-2.68,;29.1,-3.46,;29.1,-4.99,;30.43,-5.76,;30.43,-7.3,;29.1,-8.07,;27.77,-7.29,;26.44,-8.07,;26.44,-9.61,;27.77,-10.37,;29.09,-9.61,;30.41,-10.38,;30.4,-11.92,;31.75,-9.62,;33.08,-10.4,;34.42,-9.63,;35.75,-10.41,;37.09,-9.65,;38.42,-10.43,;39.74,-9.67,;41.07,-10.45,;41.06,-11.99,;39.72,-12.75,;38.4,-11.97,;39.71,-14.29,;38.45,-15.18,;38.91,-16.65,;40.45,-16.66,;41.47,-17.82,;42.97,-17.51,;43.46,-16.05,;44.97,-15.74,;42.44,-14.9,;40.94,-15.21,;31.76,-8.08,;33.1,-7.31,)|
Fc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O
COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5)c5CCCCn5c4=O)C3)c2c1
COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(c5CCCCn5c4=O)-c4ccccc4F)C3)c2c1 |(23.43,-56.48,;22.41,-55.33,;20.9,-55.64,;20.42,-57.1,;18.91,-57.41,;17.89,-56.25,;16.36,-56.24,;15.9,-54.77,;17.15,-53.88,;17.16,-52.34,;18.5,-51.58,;18.51,-50.04,;17.18,-49.26,;15.86,-50.01,;14.53,-49.24,;13.19,-50,;11.86,-49.22,;10.52,-49.98,;9.19,-49.21,;9.2,-47.67,;10.54,-46.9,;7.87,-46.89,;6.54,-47.66,;5.21,-46.88,;3.88,-47.66,;3.88,-49.2,;5.21,-49.96,;6.53,-49.2,;7.86,-49.97,;7.85,-51.51,;7.87,-45.35,;6.55,-44.58,;6.55,-43.05,;7.89,-42.27,;9.22,-43.05,;9.21,-44.59,;10.54,-45.36,;15.84,-51.56,;18.39,-54.8,;19.89,-54.49,)|
COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(c5CCCCn5c4=O)-c4ccccc4C)C3)c2c1 |(45.69,-56.48,;44.67,-55.33,;43.16,-55.64,;42.68,-57.1,;41.17,-57.41,;40.15,-56.25,;38.62,-56.24,;38.16,-54.77,;39.41,-53.88,;39.42,-52.34,;40.76,-51.58,;40.78,-50.04,;39.45,-49.26,;38.12,-50.01,;36.79,-49.24,;35.45,-50,;34.12,-49.22,;32.78,-49.98,;31.45,-49.21,;31.46,-47.67,;32.8,-46.9,;30.13,-46.89,;28.8,-47.66,;27.47,-46.88,;26.14,-47.66,;26.14,-49.2,;27.47,-49.96,;28.79,-49.2,;30.12,-49.97,;30.11,-51.51,;30.14,-45.35,;28.81,-44.58,;28.81,-43.05,;30.15,-42.27,;31.48,-43.05,;31.47,-44.59,;32.8,-45.36,;38.1,-51.56,;40.65,-54.8,;42.15,-54.49,)|
COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(c5CCCCn5c4=O)-c4ccccc4OC)C3)c2c1 |(68.42,-56.82,;67.4,-55.67,;65.89,-55.98,;65.4,-57.44,;63.89,-57.75,;62.88,-56.6,;61.34,-56.58,;60.88,-55.11,;62.14,-54.22,;62.15,-52.68,;63.49,-51.93,;63.5,-50.38,;62.17,-49.6,;60.85,-50.36,;59.52,-49.58,;58.18,-50.34,;56.85,-49.56,;55.51,-50.33,;54.18,-49.55,;54.19,-48.01,;55.53,-47.25,;52.86,-47.23,;51.53,-48,;50.2,-47.22,;48.87,-48,;48.87,-49.54,;50.2,-50.3,;51.52,-49.54,;52.84,-50.31,;52.84,-51.85,;52.86,-45.69,;51.54,-44.93,;51.53,-43.39,;52.87,-42.62,;54.21,-43.39,;54.2,-44.93,;55.53,-45.7,;56.87,-44.94,;60.83,-51.9,;63.37,-55.14,;64.87,-54.83,)|
COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccc(F)cc5)c5CCCCn5c4=O)C3)c2c1
COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccc(C)cc5)c5CCCCn5c4=O)C3)c2c1
Clc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O
Cc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O
O=c1c(-c2ccccc2)c2CCCCn2c(=O)n1CCCCN1CCCC(C1)c1c[nH]c2ccccc12
Fc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O
Fc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(c5CCCCn5c4=O)-c4ccccc4Cl)C3)c2c1 |(66.44,-55.06,;64.93,-55.37,;64.45,-56.83,;62.94,-57.13,;61.92,-55.98,;60.39,-55.97,;59.93,-54.5,;61.18,-53.61,;61.19,-52.07,;62.53,-51.31,;62.55,-49.77,;61.22,-48.98,;59.89,-49.74,;58.56,-48.96,;57.22,-49.73,;55.89,-48.95,;54.55,-49.71,;53.23,-48.93,;53.23,-47.39,;54.57,-46.63,;51.9,-46.61,;50.57,-47.38,;49.24,-46.61,;47.91,-47.38,;47.91,-48.92,;49.24,-49.69,;50.56,-48.92,;51.89,-49.69,;51.88,-51.23,;51.91,-45.08,;50.58,-44.31,;50.58,-42.78,;51.92,-42,;53.25,-42.78,;53.24,-44.31,;54.58,-45.09,;59.87,-51.29,;62.42,-54.52,;63.92,-54.22,)|
Fc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccc(Cl)cc5)c5CCCCn5c4=O)C3)c2c1
COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(c5CCCCn5c4=O)-c4ccccc4Cl)C3)c2c1 |(87.71,-36.28,;86.68,-35.13,;85.17,-35.44,;84.69,-36.9,;83.18,-37.21,;82.16,-36.05,;80.63,-36.04,;80.17,-34.57,;81.42,-33.68,;81.43,-32.14,;82.77,-31.38,;82.79,-29.84,;81.46,-29.06,;80.13,-29.82,;78.8,-29.04,;77.46,-29.8,;76.13,-29.02,;74.79,-29.79,;73.46,-29.01,;73.47,-27.47,;74.81,-26.7,;72.14,-26.69,;70.81,-27.46,;69.48,-26.68,;68.15,-27.46,;68.15,-29,;69.48,-29.76,;70.8,-29,;72.13,-29.77,;72.12,-31.31,;72.15,-25.15,;70.82,-24.38,;70.82,-22.85,;72.16,-22.07,;73.49,-22.85,;73.48,-24.39,;74.81,-25.16,;80.11,-31.36,;82.66,-34.6,;84.16,-34.29,)|
COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccc(Cl)cc5)c5CCCCn5c4=O)C3)c2c1
COc1ccc(cc1)[C@H]([S@@+]([O-])Cc1cncs1)c1ccccc1 |r|
[O-][S+](Cc1csc(n1)C1CC1)C(c1ccccc1)c1ccccc1
[O-][S+](Cc1cncs1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
[O-][S@+](Cc1cncs1)[C@H](c1ccccc1)c1ccc(Cl)cc1 |r|
COc1ccc(cc1)[C@H]([S@+]([O-])Cc1cncs1)c1ccccc1 |r|
[O-][S@+](Cc1cncs1)[C@H](c1ccccc1)c1ccc(Br)cc1 |r|
Cc1ccc(cc1)[C@H]([S@+]([O-])Cc1cncs1)c1ccccc1 |r|
Cc1nc(C[S+]([O-])C(c2ccccc2)c2ccccc2)sc1C
NC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1 |r|
Cc1ccc(cc1)C([S+]([O-])Cc1cncs1)c1ccc(C)cc1
[O-][S@+](Cc1cscn1)[C@H](c1ccccc1)c1ccc(Br)cc1 |r|
[O-][S@+](Cc1cncs1)[C@H](c1ccccc1)c1ccc(F)cc1 |r|
Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 |(29.98,-5.28,;29.99,-6.82,;28.67,-7.59,;28.68,-9.13,;27.35,-9.9,;27.36,-11.44,;28.69,-12.2,;28.7,-13.75,;27.36,-14.52,;26.03,-13.75,;24.57,-14.23,;23.66,-13,;24.55,-11.74,;26.02,-12.21,;30.02,-9.9,;31.35,-9.12,;31.34,-7.58,;32.66,-6.8,;34,-7.57,;34.01,-9.11,;35.33,-6.79,;35.32,-5.25,;33.97,-4.49,;33.64,-2.99,;32.12,-2.84,;31.5,-4.24,;32.64,-5.27,)|
Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F |(17.28,-55.18,;17.28,-53.64,;18.61,-52.87,;18.61,-51.33,;17.26,-50.56,;16.94,-49.07,;15.41,-48.91,;14.79,-50.31,;15.93,-51.33,;15.95,-52.87,;14.62,-53.65,;14.63,-55.19,;13.29,-55.96,;11.96,-55.19,;10.63,-55.96,;10.64,-57.5,;11.97,-58.26,;11.98,-59.81,;10.64,-60.59,;9.31,-59.81,;7.83,-60.29,;6.93,-59.04,;7.84,-57.79,;9.31,-58.27,;11.95,-53.66,;13.28,-52.88,;13.27,-51.34,;11.93,-50.58,;14.38,-50.56,;13.26,-49.79,)|
FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12
FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12
[H][C@]12OC(C)(C)O[C@@]1([H])[C@@]1([H])Cn3cc(COCCCCCCN(CCc4ccc5ccccc5c4)CC[C@@]([H])(O1)[C@@H]2OCCC(C)C)nn3 |r|
[H][C@]12OC(C)(C)O[C@@]1([H])[C@@]1([H])COCc3cn(C[C@@]4([H])O[C@]([H])(CCN(CCc5ccc6ccccc6c5)CC[C@@]([H])(O1)[C@@H]2OCCC(C)C)[C@H](OCCC(C)C)[C@@]1([H])OC(C)(C)O[C@@]41[H])nn3 |r|
COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)CC2)CC1
COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5)c5ccccn5c4=O)C3)c2c1
Fc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5)c5ccccn5c4=O)C3)c2c1
COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5Cl)c5ccccn5c4=O)C3)c2c1 |(22.43,-29.85,;21.41,-28.7,;19.9,-29.01,;19.41,-30.47,;17.9,-30.77,;16.89,-29.62,;15.35,-29.61,;14.89,-28.14,;16.15,-27.25,;16.16,-25.71,;17.5,-24.95,;17.51,-23.41,;16.18,-22.62,;14.86,-23.39,;13.53,-22.61,;12.19,-23.38,;10.86,-22.6,;9.52,-23.36,;8.19,-22.58,;8.2,-21.04,;9.54,-20.28,;6.87,-20.26,;6.87,-18.73,;5.54,-17.96,;5.54,-16.42,;6.88,-15.65,;8.22,-16.42,;8.21,-17.96,;9.54,-18.74,;5.54,-21.03,;4.21,-20.25,;2.88,-21.03,;2.88,-22.57,;4.21,-23.33,;5.53,-22.57,;6.85,-23.34,;6.84,-24.88,;14.84,-24.93,;17.38,-28.16,;18.88,-27.86,)|
Fc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5Cl)c5ccccn5c4=O)C3)c2c1 |(21.5,-27.9,;19.99,-28.21,;19.5,-29.68,;17.99,-29.98,;16.97,-28.83,;15.44,-28.82,;14.98,-27.35,;16.23,-26.45,;16.24,-24.91,;17.58,-24.16,;17.6,-22.62,;16.27,-21.83,;14.94,-22.6,;13.61,-21.82,;12.27,-22.58,;10.94,-21.8,;9.61,-22.57,;8.28,-21.79,;8.28,-20.25,;9.62,-19.49,;6.95,-19.47,;6.96,-17.93,;5.63,-17.17,;5.63,-15.63,;6.97,-14.86,;8.3,-15.63,;8.3,-17.17,;9.63,-17.94,;5.62,-20.24,;4.29,-19.46,;2.96,-20.24,;2.96,-21.78,;4.29,-22.54,;5.62,-21.78,;6.94,-22.55,;6.93,-24.09,;14.92,-24.14,;17.47,-27.37,;18.97,-27.06,)|
COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccc(C)cc5)c5ccccn5c4=O)C3)c2c1
COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccc(F)cc5)c5ccccn5c4=O)C3)c2c1
COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccc(Cl)cc5)c5ccccn5c4=O)C3)c2c1
COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5C)c5ccccn5c4=O)C3)c2c1 |(48.24,-15.82,;47.22,-14.66,;45.71,-14.97,;45.22,-16.44,;43.71,-16.74,;42.7,-15.59,;41.16,-15.58,;40.7,-14.11,;41.95,-13.21,;41.96,-11.68,;43.31,-10.92,;43.32,-9.38,;41.99,-8.59,;40.66,-9.36,;39.33,-8.58,;37.99,-9.34,;36.67,-8.57,;35.33,-9.33,;34,-8.55,;34,-7.01,;35.34,-6.25,;32.67,-6.23,;32.68,-4.7,;31.35,-3.93,;31.35,-2.39,;32.69,-1.62,;34.02,-2.39,;34.02,-3.93,;35.35,-4.71,;31.34,-7,;30.01,-6.22,;28.69,-7,;28.69,-8.54,;30.01,-9.3,;31.34,-8.54,;32.66,-9.31,;32.65,-10.85,;40.64,-10.9,;43.19,-14.13,;44.69,-13.83,)|
COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5F)c5ccccn5c4=O)C3)c2c1 |(24.47,-44.01,;23.45,-42.86,;21.94,-43.17,;21.45,-44.63,;19.94,-44.94,;18.93,-43.79,;17.39,-43.77,;16.93,-42.3,;18.18,-41.41,;18.19,-39.87,;19.54,-39.11,;19.55,-37.57,;18.22,-36.79,;16.89,-37.55,;15.56,-36.78,;14.23,-37.54,;12.9,-36.76,;11.56,-37.52,;10.23,-36.75,;10.24,-35.21,;11.57,-34.44,;8.9,-34.43,;8.91,-32.89,;7.58,-32.12,;7.58,-30.59,;8.92,-29.81,;10.25,-30.59,;10.25,-32.13,;11.58,-32.9,;7.57,-35.2,;6.24,-34.42,;4.92,-35.2,;4.92,-36.74,;6.24,-37.5,;7.57,-36.74,;8.89,-37.51,;8.88,-39.05,;16.87,-39.09,;19.42,-42.33,;20.92,-42.02,)|
Cc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O
Fc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O
Cc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O |(35.43,-3.91,;34.1,-3.14,;34.11,-1.6,;32.78,-.82,;31.44,-1.6,;31.44,-3.13,;32.76,-3.9,;32.76,-5.44,;31.43,-6.21,;30.1,-5.43,;28.77,-6.21,;28.77,-7.75,;30.1,-8.51,;31.42,-7.75,;32.75,-8.52,;32.74,-10.06,;34.08,-7.76,;35.41,-8.54,;36.75,-7.77,;38.08,-8.55,;39.42,-7.79,;40.75,-8.57,;42.07,-7.8,;43.4,-8.58,;43.39,-10.13,;42.05,-10.88,;40.73,-10.11,;42.04,-12.42,;40.78,-13.31,;41.25,-14.78,;42.78,-14.8,;43.8,-15.95,;45.31,-15.65,;45.8,-14.18,;47.3,-13.87,;44.78,-13.03,;43.28,-13.34,;34.09,-6.22,;35.43,-5.46,)|
Fc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5F)c5ccccn5c4=O)C3)c2c1 |(23.53,-42.07,;22.03,-42.37,;21.54,-43.84,;20.03,-44.14,;19.01,-42.99,;17.48,-42.98,;17.01,-41.51,;18.27,-40.62,;18.28,-39.08,;19.62,-38.32,;19.64,-36.78,;18.31,-35.99,;16.98,-36.76,;15.65,-35.98,;14.31,-36.75,;12.98,-35.97,;11.64,-36.73,;10.31,-35.95,;10.32,-34.41,;11.66,-33.65,;8.99,-33.63,;8.99,-32.1,;7.67,-31.33,;7.67,-29.79,;9.01,-29.02,;10.34,-29.79,;10.33,-31.33,;11.66,-32.11,;7.66,-34.4,;6.33,-33.62,;5,-34.4,;5,-35.94,;6.33,-36.7,;7.65,-35.94,;8.98,-36.71,;8.97,-38.25,;16.96,-38.3,;19.51,-41.53,;21.01,-41.23,)|
COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O
Fc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O
Clc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O
Cc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(34.58,-4.89,;33.25,-4.11,;33.25,-2.57,;31.92,-1.8,;30.58,-2.57,;30.58,-4.11,;31.91,-4.88,;31.9,-6.41,;30.57,-7.18,;29.24,-6.4,;27.92,-7.18,;27.92,-8.72,;29.24,-9.48,;30.57,-8.72,;31.89,-9.49,;31.88,-11.03,;33.23,-8.73,;34.56,-9.51,;35.9,-8.75,;37.22,-9.52,;38.56,-8.76,;39.89,-9.54,;41.22,-8.77,;42.55,-9.56,;42.54,-11.1,;41.19,-11.85,;39.87,-11.08,;41.18,-13.39,;39.93,-14.29,;40.39,-15.76,;41.93,-15.77,;42.94,-16.92,;44.45,-16.62,;44.94,-15.15,;43.92,-14.01,;42.42,-14.31,;33.23,-7.19,;34.57,-6.43,)|
O=c1c(-c2ccccc2)c2ccccn2c(=O)n1CCCCN1CCCC(C1)c1c[nH]c2ccccc12
COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(OC)cc23)c1=O
Fc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccc(Cl)cc5)c5ccccn5c4=O)C3)c2c1
Clc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(10.92,-18.52,;9.59,-17.75,;9.59,-16.21,;8.26,-15.43,;6.92,-16.21,;6.92,-17.74,;8.25,-18.51,;8.24,-20.05,;6.91,-20.81,;5.58,-20.04,;4.25,-20.81,;4.25,-22.35,;5.58,-23.12,;6.91,-22.35,;8.23,-23.13,;8.22,-24.67,;9.57,-22.37,;10.9,-23.14,;12.24,-22.38,;13.56,-23.16,;14.9,-22.4,;16.23,-23.17,;17.56,-22.41,;18.89,-23.19,;18.88,-24.73,;17.53,-25.49,;16.21,-24.71,;17.52,-27.03,;16.27,-27.92,;16.73,-29.39,;18.27,-29.41,;19.28,-30.56,;20.79,-30.25,;21.28,-28.79,;20.26,-27.64,;18.76,-27.95,;9.57,-20.83,;10.91,-20.06,)|
COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5OC)c5ccccn5c4=O)C3)c2c1 |(48.24,-29.68,;47.22,-28.53,;45.71,-28.84,;45.22,-30.31,;43.71,-30.61,;42.7,-29.46,;41.16,-29.45,;40.7,-27.98,;41.95,-27.08,;41.96,-25.54,;43.31,-24.79,;43.32,-23.25,;41.99,-22.46,;40.66,-23.23,;39.33,-22.45,;38,-23.21,;36.67,-22.43,;35.33,-23.2,;34,-22.42,;34,-20.88,;35.34,-20.12,;32.67,-20.1,;32.68,-18.56,;31.35,-17.8,;31.35,-16.26,;32.69,-15.49,;34.02,-16.26,;34.02,-17.8,;35.35,-18.57,;36.69,-17.81,;31.34,-20.87,;30.01,-20.09,;28.69,-20.87,;28.69,-22.41,;30.01,-23.17,;31.34,-22.41,;32.66,-23.18,;32.65,-24.72,;40.64,-24.77,;43.19,-28,;44.69,-27.69,)|
COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O
COc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O |(36.77,-17.02,;35.43,-17.78,;34.1,-17.01,;34.11,-15.47,;32.78,-14.69,;31.44,-15.47,;31.44,-17,;32.76,-17.77,;32.76,-19.31,;31.43,-20.07,;30.1,-19.3,;28.77,-20.07,;28.77,-21.62,;30.1,-22.38,;31.42,-21.62,;32.75,-22.39,;32.74,-23.93,;34.08,-21.63,;35.41,-22.4,;36.75,-21.64,;38.08,-22.42,;39.42,-21.66,;40.75,-22.43,;42.07,-21.67,;43.4,-22.45,;43.39,-23.99,;42.05,-24.75,;40.73,-23.97,;42.04,-26.29,;40.78,-27.18,;41.25,-28.65,;42.78,-28.66,;43.8,-29.82,;45.31,-29.51,;45.8,-28.05,;47.3,-27.74,;44.78,-26.9,;43.28,-27.21,;34.09,-20.09,;35.43,-19.32,)|
Cc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O
COc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(36.19,-18.42,;34.85,-19.19,;33.52,-18.41,;33.53,-16.88,;32.19,-16.1,;30.85,-16.88,;30.85,-18.41,;32.18,-19.18,;32.18,-20.71,;30.85,-21.48,;29.52,-20.71,;28.19,-21.48,;28.19,-23.02,;29.52,-23.79,;30.84,-23.02,;32.16,-23.8,;32.15,-25.34,;33.5,-23.03,;34.83,-23.81,;36.17,-23.05,;37.5,-23.83,;38.84,-23.06,;40.17,-23.84,;41.49,-23.08,;42.82,-23.86,;42.81,-25.4,;41.47,-26.16,;40.15,-25.38,;41.46,-27.7,;40.2,-28.59,;40.66,-30.06,;42.2,-30.07,;43.22,-31.23,;44.73,-30.92,;45.21,-29.46,;44.19,-28.31,;42.69,-28.61,;33.51,-21.49,;34.85,-20.73,)|
Fc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(9.7,-33.63,;8.37,-32.85,;8.37,-31.31,;7.04,-30.54,;5.7,-31.31,;5.7,-32.85,;7.03,-33.61,;7.02,-35.15,;5.69,-35.92,;4.36,-35.14,;3.03,-35.92,;3.03,-37.46,;4.36,-38.22,;5.69,-37.46,;7.01,-38.23,;7,-39.77,;8.35,-37.47,;9.68,-38.25,;11.01,-37.49,;12.34,-38.26,;13.68,-37.5,;15.01,-38.28,;16.34,-37.51,;17.67,-38.3,;17.65,-39.84,;16.31,-40.59,;14.99,-39.82,;16.3,-42.13,;15.05,-43.03,;15.51,-44.5,;17.04,-44.51,;18.06,-45.66,;19.57,-45.36,;20.06,-43.89,;19.04,-42.74,;17.54,-43.05,;8.35,-35.93,;9.69,-35.17,)|
CCCN(CC[C@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,9.11,wD:24.26,6.6,(12.17,-57.06,;12.17,-55.52,;10.84,-54.75,;10.84,-53.21,;12.18,-52.44,;13.51,-53.21,;14.85,-52.45,;14.83,-53.98,;16.33,-52.85,;16.73,-51.37,;15.24,-50.96,;18.07,-50.6,;19.4,-51.38,;19.39,-52.92,;20.77,-50.64,;20.76,-49.1,;22.08,-48.34,;23.41,-49.1,;24.74,-48.33,;26.07,-49.11,;26.07,-50.65,;24.73,-51.41,;23.4,-50.63,;22.09,-51.39,;9.51,-52.44,;9.51,-50.9,;8.18,-50.12,;6.85,-50.89,;5.38,-50.41,;4.47,-51.66,;2.93,-51.66,;5.38,-52.92,;6.85,-52.44,;8.18,-53.2,)|
Fc1ccc2c(noc2c1)C1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3nsc4ccccc34)c2c1
Fc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(c1)-c1ccsc1
Fc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(c1)-c1ccoc1
Fc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(c1)-c1cn[nH]c1
Fc1ccc(C2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(c1)-c1ccccc1
Fc1ccc(C2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(c1)-c1ccsc1
Fc1ccc2[nH]cc(CCN3CCN(CC3)c3nsc4ccccc34)c2c1
Fc1ccc2[nH]cc(CCCN3CCN(CC3)c3nsc4ccccc34)c2c1
Fc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(c1)-c1cccs1
Cn1cc(cn1)-c1cc(F)ccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
Fc1ccc(OCCN2CCC(CC2)c2c[nH]c3ccc(F)cc23)c(c1)-c1ccccc1
Fc1cccc(c1)-c1cc(F)ccc1OCCN1CCC(CC1)c1c[nH]c2ccc(F)cc12
Clc1ccccc1OCc1cc(OC[C@@H]2CCCN2)no1
Fc1ccccc1OCc1cc(OC[C@@H]2CCCN2)no1
CN(CCOc1cc(COc2ccccc2)on1)C1CCCCC1
C(Oc1ccccc1)c1cc(no1)N1CCNCC1
CN(CCOc1cc(COc2ccccc2)on1)CC1CC1
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
COc1ccccc1CCN1CCN(CCc2ccccc2OC)CC1
CN1[C@H](CCc2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1
COc1ccccc1CCN1CCN(CCc2ccccc2)CC1
Clc1ccccc1CCN1CCN(CCc2ccccc2Cl)CC1
COc1ccccc1N1CCN(CCCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
Clc1ccc(cc1)N1CCN(CCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
Clc1ccc(cc1)N1CCN(CCCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
C(CN1CCN(CC1)c1ccccn1)Cn1nnnc1C(c1ccccc1)c1ccccc1
C(CCn1nnnc1C(c1ccccc1)c1ccccc1)CN1CCN(CC1)c1ccccn1
Clc1cccc(N2CCN(CCCn3nnnc3C(c3ccccc3)c3ccccc3)CC2)c1Cl
Clc1ccc(cc1)N1CCN(CCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
C(CN1CCN(CC1)c1ncccn1)Cn1nnnc1C(c1ccccc1)c1ccccc1
Clc1cccc(N2CCN(CCn3nnnc3C(c3ccccc3)c3ccccc3)CC2)c1Cl
C(Cn1nnnc1C(c1ccccc1)c1ccccc1)N1CCN(CC1)c1ncccn1
C(Cn1nnnc1C(c1ccccc1)c1ccccc1)N1CCN(CC1)c1ccccn1
Clc1cccc(N2CCN(CCCCn3nnnc3C(c3ccccc3)c3ccccc3)CC2)c1Cl
COc1ccccc1N1CCN(CCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
COc1ccccc1N1CCN(CCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
C(CCn1nnnc1C(c1ccccc1)c1ccccc1)CN1CCN(CC1)c1ncccn1
CCCCCn1c2ccccc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O
CCCn1c2ccccc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O
CCOC(=O)Cc1nn(CNC(=O)CCN2CCN(CC2)c2ccccc2F)c(=O)c2ccccc12
CCOC(=O)Cc1nn(CNC(=O)CCN2CCN(CC2)c2ccc(F)cc2)c(=O)c2ccccc12
CCOC(=O)Cc1nn(CNC(=O)CCN2CCN(CC2)c2ccccc2Cl)c(=O)c2ccccc12
CCOC(=O)Cc1nn(CNC(=O)CCN2CCN(CC2)c2cccc(Cl)c2)c(=O)c2ccccc12
CCOC(=O)Cc1nn(CNC(=O)CCN2CCN(CC2)c2cccc(c2)C(F)(F)F)c(=O)c2ccccc12
CCOC(=O)Cc1nn(CNC(=O)CCN2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)c(=O)c2ccccc12
CCOC(=O)Cc1nn(CNC(=O)CCN2CCN(CC2)c2ccc(cc2)C(=O)OC)c(=O)c2ccccc12
CCOC(=O)Cc1nn(CNC(=O)CCN2CCN(CC2)c2ccc(OC)cc2)c(=O)c2ccccc12
CCOC(=O)Cc1nn(CNC(=O)CCN2CCN(CC2)c2ccccc2OC)c(=O)c2ccccc12
CCOC(=O)Cc1nn(CNC(=O)CCN2CCN(CC2)c2cccc(OC)c2)c(=O)c2ccccc12
CCOC(=O)Cc1nn(CNC(=O)CCN2CCN(CC2)c2ccccc2OCC)c(=O)c2ccccc12
CCOC(=O)Cc1nn(CNC(=O)CCN2CCN(CC2)c2ccc(C)cc2)c(=O)c2ccccc12
CCOC(=O)Cc1nn(CNC(=O)CCN2CCN(CC2)c2ccc(C)c(C)c2)c(=O)c2ccccc12
CCOC(=O)Cc1nn(CNC(=O)CCN2CCN(CC2)c2cccc(C)c2C)c(=O)c2ccccc12
CCOC(=O)Cc1nn(CNC(=O)CCN2CCN(CC2)c2ccc(C)cc2C)c(=O)c2ccccc12
CCOC(=O)Cc1nn(CNC(=O)CCN2CCN(CC2)c2c(C)cccc2C)c(=O)c2ccccc12
CCOC(=O)Cc1nn(CNC(=O)CCN2CCN(CC2)c2ccc(C)c(C)c2)c(=O)c2c(F)cccc12
CCOC(=O)Cc1nn(CNC(=O)CCN2CCN(CC2)c2cccc(C)c2C)c(=O)c2c(F)cccc12
CCOC(=O)Cc1nn(CNC(=O)CCN2CCN(CC2)c2ccc(C)c(C)c2)c(=O)c2cc(F)ccc12
CCOC(=O)Cc1nn(CNC(=O)CCN2CCN(CC2)c2cccc(C)c2C)c(=O)c2cc(F)ccc12
CCOC(=O)Cc1nn(CNC(=O)CN2CCN(CC2)c2ccc(C)c(C)c2)c(=O)c2ccccc12
CCOC(=O)Cc1nn(CNC(=O)CN2CCN(CC2)c2cccc(C)c2C)c(=O)c2ccccc12
CCOC(=O)Cc1nn(CNC(=O)CN2CCN(CC2)c2ccc(C)c(C)c2)c(=O)c2c(F)cccc12
CCOC(=O)Cc1nn(CNC(=O)CN2CCN(CC2)c2cccc(C)c2C)c(=O)c2c(F)cccc12
CCOC(=O)Cc1nn(CNC(=O)CN2CCN(CC2)c2ccc(C)c(C)c2)c(=O)c2cc(F)ccc12
CCOC(=O)Cc1nn(CNC(=O)CN2CCN(CC2)c2cccc(C)c2C)c(=O)c2cc(F)ccc12
CCOC(=O)Cc1nn(CNC(=O)CCCN2CCN(CC2)c2ccc(C)c(C)c2)c(=O)c2ccccc12
CCOC(=O)Cc1nn(CNC(=O)CCCN2CCN(CC2)c2cccc(C)c2C)c(=O)c2ccccc12
CCOC(=O)Cc1nn(CNC(=O)CCCN2CCN(CC2)c2ccc(C)c(C)c2)c(=O)c2c(F)cccc12
CCOC(=O)Cc1nn(CNC(=O)CCCN2CCN(CC2)c2cccc(C)c2C)c(=O)c2c(F)cccc12
CCOC(=O)Cc1nn(CNC(=O)CCCN2CCN(CC2)c2ccc(C)c(C)c2)c(=O)c2cc(F)ccc12
CCOC(=O)Cc1nn(CNC(=O)CCCN2CCN(CC2)c2cccc(C)c2C)c(=O)c2cc(F)ccc12
Cc1cccc(N2CCN(CCCC(=O)NCn3nc(CC(N)=O)c4cccc(F)c4c3=O)CC2)c1C
Cc1cccc(N2CCN(CCCC(=O)NCn3nc(CC(N)=O)c4ccc(F)cc4c3=O)CC2)c1C
Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12
OC(CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccc(F)cc1
OC(CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccc(cc1)C(F)(F)F
COc1ccc(CC(O)CN2CCN(CCSC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
O[C@H](CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
O[C@@H](CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
Fc1ccc(cc1)C(SCCN1CCN(CC1)C(=O)CCc1ccccc1)c1ccc(F)cc1
CC(=O)CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
OC(CN1CCN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccc(F)cc1
OC(CN1CCN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccc(cc1)C(F)(F)F
COc1ccc(CC(O)CN2CCN(CC[S+]([O-])C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
O[C@H](CN1CCN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
O[C@@H](CN1CCN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
C[C@H](O)CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 |r|
C[C@@H](O)CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 |r|
Fc1ccc(cc1)C(SCCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
CCC(=O)N1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
C[C@H](O)CN1CCN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 |r|
C[C@@H](O)CN1CCN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 |r|
[O-][S+](CCCN1CCN(CCCc2ccccc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
C[C@H]1CN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1 |r|
CC(O)CN1[C@@H](C)CN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]1C |r|
C[C@H](O)CN1[C@@H](C)CN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]1C |r|
C[C@@H](O)CN1[C@@H](C)CN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]1C |r|
C[C@H]1CN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CC(O)Cc1ccccc1 |r|
CC(O)CN1[C@@H](C)CN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]1C |r|
C[C@H]1CN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CC(O)Cc1ccccc1 |r|
OC(CN1CCC2(C1)CCN(CCSC(c1ccc(F)cc1)c1ccc(F)cc1)CC2)c1ccccc1
CC(O)CN1CCC2(C1)CCN(CC[S+]([O-])C(c1ccc(F)cc1)c1ccc(F)cc1)CC2
O=c1n(CCCCN2CCN(CC2)c2cccc3sccc23)nc2ccccn12
Fc1cccn2c1nn(CCCCN1CCN(CC1)c1cccc3sccc13)c2=O
COc1cccc2nn(CCCCN3CCN(CC3)c3cccc4sccc34)c(=O)n12
O=c1n(CCCCN2CCN(CC2)c2cccc3sccc23)nc2ccc(cn12)C#N
CN(C)CCN1c2ccccc2N(C)c2ccccc2C1=O
CN(C)CCN1c2ccccc2CCc2ccccc2C1=O
CN(C)CCCN1c2ccccc2CCc2ccccc2C1=O
CN(C)CCN1c2ccccc2\C=C/c2ccccc2C1=O |c:13|
CN(C)CCCN1c2ccccc2\C=C/c2ccccc2C1=O |c:14|
COc1cc2N(CCN(C)C)C(=O)c3ccccc3N(C)C(=O)c2cc1OC
CN(C)CCCN1c2ccccc2N(Cc2ccccc2)C(=O)c2ccccc2C1=O
O=C1N(CCCN2CCOCC2)c2ccccc2\C=C/c2ccccc12 |c:20|
Cc1ccc(nc1)N1CCN(CCCCc2ccc(F)cc2)CC1
Fc1ccc(CCCCN2CCN(CC2)c2ccc(cn2)-c2ccccc2)cc1
Fc1ccc(CCCCN2CCN(CC2)c2cccc(n2)-c2ccccc2)cc1
Fc1ccc(cc1)C(=O)CCCN1CCCN(CC1)c1ccc(Cl)cn1
Fc1ccc2C(=O)C(CCN3CCCN(CC3)c3ccccn3)Cc2c1
Fc1ccc2CC(CCN3CCCN(CC3)c3ccccn3)Cc2c1
Fc1ccc2C(=O)C(CCN3CCCN(CC3)c3ccc(Cl)cn3)Cc2c1
Fc1ccc2C(=O)C(CCN3CCCN(CC3)c3ccc(Cl)cc3)Cc2c1
Fc1ccc(CCCCN2C3CCC2CN(C3)c2ccc(Cl)cn2)cc1 |TLB:8:9:15.16.14:11.12,THB:17:15:9:11.12|
Fc1ccc(cc1)C(=O)CCCN1C2CCC1CN(C2)c1ccc(Cl)cn1 |TLB:11:12:18.19.17:14.15,THB:20:18:12:14.15|
Fc1ccc(CCCCN2CCN(CC2)c2ccncc2)cc1
CN1CCc2ccc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2C1=O
Fc1ccc(cc1)C(SCCNC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(CN2CCC(CC2)NCCSC(c2ccc(F)cc2)c2ccc(F)cc2)cc1
Fc1ccc(cc1)C(SCCNC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(SCCNC1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(SCCNC1CCN(CCc2ccccc2)CC1)c1ccc(F)cc1
[O-][S+](CCNC1CCN(Cc2ccc(F)cc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
OC(CN1CCC(CC1)NCCSC(c1ccc(F)cc1)c1ccc(F)cc1)Cc1ccccc1
OC(CN1CCC(CC1)NCC[S+]([O-])C(c1ccc(F)cc1)c1ccc(F)cc1)Cc1ccccc1
Fc1ccc(cc1)C(SCCN1CCC(CC1)NCc1ccccc1)c1ccc(F)cc1
Fc1ccc(CNC2CCN(CCSC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Fc1ccc(cc1)C(SCCN1CCC(CC1)NCc1ccc(Cl)cc1)c1ccc(F)cc1
Fc1ccc(cc1)C(SCCN1CCC(CC1)NCc1ccc(cc1)C(F)(F)F)c1ccc(F)cc1
OC(CNC1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Fc1ccc(cc1)C(SCCNC1CCN(CC1)C(=O)c1ccccc1)c1ccc(F)cc1
Fc1ccc(cc1)C(SCCNC1CCN(CC1)C(=O)c1ccc(F)cc1)c1ccc(F)cc1
Fc1ccc(cc1)C(SCCNC1CCN(CC1)C(=O)c1cc2ccccc2o1)c1ccc(F)cc1
Fc1ccc(cc1)C(SCCNC1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)c1ccc(F)cc1
Fc1ccc(cc1)C(SCCNC1CCN(Cc2cc3ccccc3[nH]2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(SCCNC1CCN(Cc2cc3ccccc3o2)CC1)c1ccc(F)cc1
[O-][S+](CCNC1CCN(CC1)C(=O)c1ccccc1)C(c1ccc(F)cc1)c1ccc(F)cc1
[O-][S+](CCNC1CCN(CC1)C(=O)c1ccc(F)cc1)C(c1ccc(F)cc1)c1ccc(F)cc1
CC(C)(C)C(=O)N1CCC(CC1)NCCSC(c1ccc(F)cc1)c1ccc(F)cc1
Fc1ccc(cc1)C(SCCNC1CCN(CC1)C(=O)C1CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(SCCNC1CCN(CC2CC2)CC1)c1ccc(F)cc1
CC(C)(C)CN1CCC(CC1)NCCSC(c1ccc(F)cc1)c1ccc(F)cc1
CC(C)(C)C(=O)N1CCC(CC1)NCC[S+]([O-])C(c1ccc(F)cc1)c1ccc(F)cc1
CC(C)(C)CN1CCC(CC1)NCC[S+]([O-])C(c1ccc(F)cc1)c1ccc(F)cc1
Fc1ccc(cc1)C(SCCNC1CCN(CC1)C(=O)c1ccccc1F)c1ccc(F)cc1
Fc1ccc(cc1)C(SCCNC1CCN(CC1)C(=O)c1ccc(F)cc1F)c1ccc(F)cc1
[O-][S+](CCNC1CCN(CC1)C(=O)c1ccccc1F)C(c1ccc(F)cc1)c1ccc(F)cc1
[O-][S+](CCNC1CCN(CC1)C(=O)c1ccc(F)cc1F)C(c1ccc(F)cc1)c1ccc(F)cc1
CN(CCSC(c1ccc(F)cc1)c1ccc(F)cc1)C1CCN(CC1)C(=O)c1ccc(F)cc1
CN(CCSC(c1ccc(F)cc1)c1ccc(F)cc1)C1CCN(CC1)C(=O)c1ccccc1F
CC(C)N(CCSC(c1ccc(F)cc1)c1ccc(F)cc1)C1CCN(CC1)C(=O)c1ccccc1F
CN(CC[S+]([O-])C(c1ccc(F)cc1)c1ccc(F)cc1)C1CCN(CC1)C(=O)c1ccccc1F
NC(=O)CS(=O)C(c1ccc(F)cc1)c1ccc(F)cc1
NC(=O)C[S@+]([O-])C(c1ccc(F)cc1)c1ccc(F)cc1 |r|
NC(=O)C[S@@+]([O-])C(c1ccc(F)cc1)c1ccc(F)cc1 |r|
Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1CNC(=O)C1COCCO1
Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1CNC(=O)C1CCCO1
[2H]C([2H])([2H])OCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1
CC(C)OCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1
CCOCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1
COC(C)(C)C(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1
CC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1
CCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1
CCCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1
Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1CNC(=O)c1ccccc1
COCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1
COCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1
COCCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1
COC(C)C(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1
C(COc1cc(COc2ccccc2)on1)NC1CCC1
COc1cc2c(cc1OC)C(=O)[C@@H](C2)CC3CCN(CC3)Cc4ccccc4
O=C(CN1CCN(CC1)C(=O)c1ccccc1)N1CCN(CCCc2c[nH]c3ccccc23)CC1
Clc1ccc(cc1)C(=O)N1CCN(CC(=O)N2CCN(CCCc3c[nH]c4ccccc34)CC2)CC1
COc1ccc(cc1)C(=O)N1CCN(CC(=O)N2CCN(CCCc3c[nH]c4ccccc34)CC2)CC1
Brc1ccc(cc1)C(=O)N1CCN(CC(=O)N2CCN(CCCc3c[nH]c4ccccc34)CC2)CC1
Cc1ccc(cc1)C(=O)N1CCN(CC(=O)N2CCN(CCCc3c[nH]c4ccccc34)CC2)CC1
Fc1ccc(cc1)C(=O)N1CCN(CC(=O)N2CCN(CCCc3c[nH]c4ccccc34)CC2)CC1
Clc1cccc(c1)C(=O)N1CCN(CC(=O)N2CCN(CCCc3c[nH]c4ccccc34)CC2)CC1
COc1cccc(c1)C(=O)N1CCN(CC(=O)N2CCN(CCCc3c[nH]c4ccccc34)CC2)CC1
Brc1cccc(c1)C(=O)N1CCN(CC(=O)N2CCN(CCCc3c[nH]c4ccccc34)CC2)CC1
Fc1cccc(c1)C(=O)N1CCN(CC(=O)N2CCN(CCCc3c[nH]c4ccccc34)CC2)CC1
Fc1ccccc1C(=O)N1CCN(CC(=O)N2CCN(CCCc3c[nH]c4ccccc34)CC2)CC1
Fc1ccc2[nH]cc(CCCN3CCN(CC3)C(=O)CN3CCN(CC3)C(=O)c3ccccc3)c2c1
Fc1ccc2[nH]cc(CCCN3CCN(CC3)C(=O)CN3CCN(CC3)C(=O)c3ccc(Cl)cc3)c2c1
COc1ccc(cc1)C(=O)N1CCN(CC(=O)N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)CC1
Fc1ccc2[nH]cc(CCCN3CCN(CC3)C(=O)CN3CCN(CC3)C(=O)c3ccc(Br)cc3)c2c1
Cc1ccc(cc1)C(=O)N1CCN(CC(=O)N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)CC1
Fc1ccc(cc1)C(=O)N1CCN(CC(=O)N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)CC1
Fc1ccc2[nH]cc(CCCN3CCN(CC3)C(=O)CN3CCN(CC3)C(=O)c3cccc(Cl)c3)c2c1
COc1cccc(c1)C(=O)N1CCN(CC(=O)N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)CC1
Fc1ccc2[nH]cc(CCCN3CCN(CC3)C(=O)CN3CCN(CC3)C(=O)c3cccc(Br)c3)c2c1
Fc1cccc(c1)C(=O)N1CCN(CC(=O)N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)CC1
Fc1ccc2[nH]cc(CCCN3CCN(CC3)C(=O)CN3CCN(CC3)C(=O)c3ccccc3Br)c2c1
COc1ccc2[nH]cc(CCCN3CCN(CC3)C(=O)CN3CCN(CC3)C(=O)c3ccccc3)c2c1
COc1ccc2[nH]cc(CCCN3CCN(CC3)C(=O)CN3CCN(CC3)C(=O)c3ccc(Cl)cc3)c2c1
COc1ccc(cc1)C(=O)N1CCN(CC(=O)N2CCN(CCCc3c[nH]c4ccc(OC)cc34)CC2)CC1
COc1ccc2[nH]cc(CCCN3CCN(CC3)C(=O)CN3CCN(CC3)C(=O)c3ccc(Br)cc3)c2c1
COc1ccc2[nH]cc(CCCN3CCN(CC3)C(=O)CN3CCN(CC3)C(=O)c3ccc(C)cc3)c2c1
COc1ccc2[nH]cc(CCCN3CCN(CC3)C(=O)CN3CCN(CC3)C(=O)c3ccc(F)cc3)c2c1
COc1ccc2[nH]cc(CCCN3CCN(CC3)C(=O)CN3CCN(CC3)C(=O)c3cccc(Cl)c3)c2c1
COc1cccc(c1)C(=O)N1CCN(CC(=O)N2CCN(CCCc3c[nH]c4ccc(OC)cc34)CC2)CC1
COc1ccc2[nH]cc(CCCN3CCN(CC3)C(=O)CN3CCN(CC3)C(=O)c3cccc(Br)c3)c2c1
COc1ccc2[nH]cc(CCCN3CCN(CC3)C(=O)CN3CCN(CC3)C(=O)c3cccc(F)c3)c2c1
COc1ccc2[nH]cc(CCCN3CCN(CC3)C(=O)CN3CCN(CC3)C(=O)c3ccccc3Br)c2c1
O=C1CCc2cc(CCCCN3CCN(CC3)c3ccccn3)ccc2N1
O=C1CCc2cc(OCCCN3CCN(CC3)c3ccccn3)ccc2N1
O=C1CCc2cc(OCCCN3CCCN(CC3)c3ccccn3)ccc2N1
OC1C(CCN2CCN(CC2)c2ccccn2)Cc2cc(F)ccc12
Clc1ccc2C(=O)C(CCCCN3CCN(CC3)c3ccccn3)Cc2c1
CC1(CCCN2CCN(CC2)c2ccccn2)Cc2cc(Cl)ccc2C1=O
CC1(CCCCN2CCN(CC2)c2ccccn2)Cc2cc(Cl)ccc2C1=O
CC(C)C[C@@H](N)C(=O)Nc1ccc(-c2cnco2)c(OC(F)F)c1 |r|
O=c1ccccn1-c1ccc(cc1)N1CCN(CCCCCc2c[nH]c3ccc(cc23)C#N)CC1
O=c1ccccn1-c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
O=c1ccccn1-c1ccc(cc1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
O=c1ccccn1-c1ccc(cc1)N1CCN(CCc2c[nH]c3ccc(cc23)C#N)CC1
Cc1ccn(-c2ccc(cc2)N2CCN(CCCCCc3c[nH]c4ccc(cc34)C#N)CC2)c(=O)c1
Cc1ccn(-c2ccc(cc2)N2CCN(CCCCc3c[nH]c4ccc(cc34)C#N)CC2)c(=O)c1
Cc1ccn(-c2ccc(cc2)N2CCN(CCCc3c[nH]c4ccc(cc34)C#N)CC2)c(=O)c1
Cc1ccn(-c2ccc(cc2)N2CCN(CCc3c[nH]c4ccc(cc34)C#N)CC2)c(=O)c1
COc1ccn(-c2ccc(cc2)N2CCN(CCCCCc3c[nH]c4ccc(cc34)C#N)CC2)c(=O)c1
COc1ccn(-c2ccc(cc2)N2CCN(CCCCc3c[nH]c4ccc(cc34)C#N)CC2)c(=O)c1
COc1ccn(-c2ccc(cc2)N2CCN(CCCc3c[nH]c4ccc(cc34)C#N)CC2)c(=O)c1
COc1ccn(-c2ccc(cc2)N2CCN(CCc3c[nH]c4ccc(cc34)C#N)CC2)c(=O)c1
Fc1ccc(=O)n(c1)-c1ccc(cc1)N1CCN(CCCCCc2c[nH]c3ccc(cc23)C#N)CC1
Fc1ccc(=O)n(c1)-c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Fc1ccc(=O)n(c1)-c1ccc(cc1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
Fc1ccc(=O)n(c1)-c1ccc(cc1)N1CCN(CCc2c[nH]c3ccc(cc23)C#N)CC1
O=c1n(ccc2ccccc12)-c1ccc(cc1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
O=c1n(ccc2ccccc12)-c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
O=c1n(ccc2ncccc12)-c1ccc(cc1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
O=c1n(ccc2ncccc12)-c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
O=c1n(ccc2occc12)-c1ccc(cc1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
O=c1n(ccc2occc12)-c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
CNCCC(Oc1ccc(Br)c(F)c1)c1ccccc1
CNCCC(Oc1ccc(Cl)c(F)c1)c1ccccc1
CNCCC(Oc1ccc(I)cc1F)c1ccccc1
CNCCC(Oc1ccc(Cl)cc1F)c1ccccc1
CNCCC(Oc1ccc(I)cc1)c1ccccc1
CNCCC(Oc1cccc(Cl)c1)c1ccccc1
CNCCC(Oc1ccc(Cl)cc1)c1ccccc1
CNCCC(Oc1ccc(F)cc1)c1ccccc1
COCCCC\C(=N/OCCN)c1ccc(Cl)cc1
COCCCC\C(=N/OCCN)c1ccc(I)cc1
COCCCC\C(=N/OCCN)c1ccc(Br)cc1F
COCCCC\C(=N/OCCN)c1ccc(Br)c(F)c1
COCCCC\C(=N/OCCN)c1ccc(Cl)c(Cl)c1
CNCCC(Oc1ccc(Br)cc1F)c1ccccc1
CNCCC(Oc1ccc(Br)cc1)c1ccccc1
CNCCC(Oc1cccc(F)c1)c1ccccc1
CNCCC(Oc1ccccc1)c1ccccc1
COCCCC\C(=N/OCCN)c1ccc(F)cc1
COCCCC\C(=N/OCCN)c1ccc(Br)cc1
COCCCC\C(=N/OCCN)c1ccc(Cl)cc1F
COCCCC\C(=N/OCCN)c1ccc(Cl)c(F)c1
CNCCC(Oc1ccc(Cl)c(Cl)c1)c1ccccc1
C1CC2CC(CC1N2)Oc1ccccc1
COC(=O)C1CCC2CC(O)C1N2c1ccc(Cl)c(Cl)c1 |TLB:13:12:6.5.4:8.9|
COC(=O)C1CCC2CC(O)C1N2c1ccccc1 |TLB:13:12:6.5.4:8.9|
Clc1ccc(OC2CC3CCC(C2)N3)cc1
Clc1cccc(OC2CC3CCC(C2)N3)c1
Clc1ccccc1OC1CC2CCC(C1)N2
c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)Br
CCS(=O)(=O)[C@@]1(CC[C@@](N=C1N)(CF)c2cc(ccc2F)NC(=O)c3cc4c(cn3)OC(O4)(F)F)C
COc1ccc2C[C@@H]3[C@H]4CCCC[C@]4(CCN3C)c2c1 |THB:17:16:8:18.6.5|
CN1CC[C@]23CCCC[C@@H]2[C@H]1Cc1ccc(O)cc31 |THB:0:1:9:18.11.12|
[H][C@]12Cc3ccc(OC(F)(F)F)cc3[C@@]3(CCCC[C@]13[H])CCN2C |r,THB:4:3:19:23.21.22,12:13:19:23.21.22|
[H][C@]12Cc3ccc(OC(F)F)cc3[C@@]3(CCCC[C@]13[H])CCN2C |r,THB:4:3:18:22.20.21,11:12:18:22.20.21|
[H][C@]12Cc3ccc(cc3[C@@]3(CCCC[C@]13[H])CCN2C)C(F)(F)F |r,THB:4:3:14:18.16.17,7:8:14:18.16.17|
[H][C@]12Cc3ccc(cc3[C@@]3(CCCC[C@]13[H])CCN2C)C(F)F |r,THB:4:3:14:18.16.17,7:8:14:18.16.17|
[H][C@]12Cc3ccc(cc3[C@@]3(CCCC[C@]13[H])CCN2C)C(F)(F)C(F)(F)F |r,THB:4:3:14:18.16.17,7:8:14:18.16.17|
[H][C@]12Cc3ccc(cc3[C@@]3(CCCC[C@]13[H])CCN2C)C(C)(F)F |r,THB:4:3:14:18.16.17,7:8:14:18.16.17|
[H][C@@]12C[C@H](c3ccc(cc3)-c3cc(cc4cc(ccc34)-c3ccc(cc3)C(F)(F)F)C(=O)OCC(=O)N(C)C)[C@@]([H])(CN1)C2 |r|
O=C1C(CC2CCN(Cc3ccccc3)CC2)Cc2cc(ccc12)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccccc23)CC1
Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(cc3)C(=O)CCC3CCN(Cc4ccccc4)CC3)c2c1
Clc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(cc3)C(=O)CCC3CCN(Cc4ccccc4)CC3)c2c1
COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(cc3)C(=O)CCC3CCN(Cc4ccccc4)CC3)c2c1
Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(cc3)C(=O)CCC3CCN(Cc4ccccc4)CC3)c2c1
COC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(cc3)C(=O)CCC3CCN(Cc4ccccc4)CC3)c2c1
O=C(CCC1CCN(Cc2ccoc2)CC1)c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
O=C(CCC1CCN(Cc2cccnc2)CC1)c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
O=C(CCC1CCN(Cc2ccsc2)CC1)c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
O=C(CCC1CCN(Cc2cc[nH]c2)CC1)c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
O=C1C(CC2CCN(Cc3ccccc3)CC2)Cc2cc(ccc12)N1CCN(Cc2c[nH]c3ccc(cc23)C#N)CC1
O=C1C(CC2CCN(Cc3ccccc3)CC2)Cc2cc(ccc12)N1CCN(CCc2c[nH]c3ccc(cc23)C#N)CC1
O=C1C(CC2CCN(Cc3ccccc3)CC2)CC2C=C(C=CC12)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1 |c:21,23|
O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)N1CCN(Cc2c[nH]c3ccc(cc23)C#N)CC1
O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)N1CCN(CCc2c[nH]c3ccc(cc23)C#N)CC1
O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
O=C(CCC1CCN(Cc2ccsc2)CC1)c1ccc(cc1)N1CCN(Cc2c[nH]c3ccc(cc23)C#N)CC1
O=C(CCC1CCN(Cc2ccsc2)CC1)c1ccc(cc1)N1CCN(CCc2c[nH]c3ccc(cc23)C#N)CC1
O=C(CCC1CCN(Cc2ccsc2)CC1)c1ccc(cc1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
O=C(CCC1CCN(Cc2cc[nH]c2)CC1)c1ccc(cc1)N1CCN(Cc2c[nH]c3ccc(cc23)C#N)CC1
O=C(CCC1CCN(Cc2cc[nH]c2)CC1)c1ccc(cc1)N1CCN(CCc2c[nH]c3ccc(cc23)C#N)CC1
O=C(CCC1CCN(Cc2cc[nH]c2)CC1)c1ccc(cc1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
CC(C)(O)c1ccc(NC(=O)c2ccnn(-c3ccccc3OCC(F)(F)F)c2=O)cc1
CC(C)(O)c1ccc(cc1)N1Cc2c(ccnc2-c2ccc(F)cc2OCC(F)(F)F)C1=O
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(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|
Oc1ccc(\C=C\C(=O)NCCCCN(CCCNC(=O)\C=C\c2ccc(O)cc2)C(=O)\C=C/c2ccc(O)cc2)cc1
COc1ccccc1N1CCN(CCn2cc(COCC(COc3ccc(cc3)[Si]([18F])(C(C)(C)C)C(C)(C)C)OCc3cn(CCN4CCN(CC4)c4ccccc4OC)nn3)nn2)CC1
COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(O)c1
[H][C@@]12C[C@H](CC)[C@@]3([H])C(C1)c1[nH]c4ccc(O)cc4c1CCN3C2 |r,TLB:2:1:6:19.10.21.20,18:19:9.1.23:6,11:10:9.1.23:6,THB:4:3:8.9:23.22,21:22:8.9:3.2,10:8:23.22:3.2|
[H][C@]12C[C@H](CC)[C@]3([H])N(C1)CCc1c([nH]c4ccc(OCC)cc14)[C@]3([H])C2 |r,TLB:4:3:24.26:9.8,2:1:6:12.13.10.11,23:12:26.1.9:6,14:13:26.1.9:6,THB:10:8:24.26:3.2,13:24:9.8:3.2|
[H][C@]12C[C@H](CC)[C@]3([H])N(C1)CCc1c([nH]c4ccc(cc14)C#N)[C@]3([H])C2 |r,TLB:4:3:23.25:9.8,2:1:6:12.13.10.11,20:12:25.1.9:6,14:13:25.1.9:6,THB:10:8:23.25:3.2,13:23:9.8:3.2|
[H][C@]12C[C@H](CC)[C@]3([H])N(C1)CCc1c([nH]c4ccccc14)[C@]3([H])C2 |r,TLB:4:3:21.23:9.8,20:12:23.1.9:6,2:1:6:12.13.10.11,14:13:23.1.9:6,THB:10:8:21.23:3.2,13:21:9.8:3.2|
[H][C@]12C[C@H](CC)[C@]3([H])N(C1)CCc1c(n(C)c4ccccc14)[C@]3([H])C2 |r,TLB:14:13:9.1.24:6,4:3:8.9:24.22,21:12:9.1.24:6,2:1:13.12.11.10:6,THB:13:22:8.9:3.2,10:8:24.22:3.2|
[H][C@]12C[C@H](CC)[C@]3([H])N(C1)CCc1c(n(C)c4ccc(OC)cc14)[C@]3([H])C2 |r,TLB:4:3:24.26:9.8,2:1:6:12.13.10.11,23:12:26.1.9:6,14:13:26.1.9:6,THB:10:8:24.26:3.2,13:24:9.8:3.2|
[H][C@]12C[C@H](CC)[C@]3([H])N(C1)CCc1c(n(C)c4ccc(O)cc14)[C@]3([H])C2
[H][C@]12C[C@H](CC)[C@]3([H])N(C1)CCc1c(n(C)c4ccc(cc14)C#N)[C@]3([H])C2 |r,TLB:14:13:9.1.26:6,21:12:9.1.26:6,4:3:8.9:26.24,2:1:13.12.11.10:6,THB:13:24:8.9:3.2,10:8:26.24:3.2|
[H][C@]12C[C@H](CC)[C@]3([H])N(C1)CCc1c(n(C)c4ccc(CC)cc14)[C@]3([H])C2 |r,TLB:4:3:24.26:9.8,2:1:6:12.13.10.11,23:12:26.1.9:6,14:13:26.1.9:6,THB:10:8:24.26:3.2,13:24:9.8:3.2|
[H][C@]12C[C@H](CC)[C@]3([H])N(C1)CCc1c(n(CC)c4ccc(O)cc14)[C@]3([H])C2
[H][C@]12C[C@H](CC)[C@]3([H])N(C1)CCc1c([nH]c4ccc(OC)c(Br)c14)[C@]3([H])C2 |r,TLB:4:3:24.26:9.8,2:1:6:12.13.10.11,23:12:26.1.9:6,14:13:26.1.9:6,THB:10:8:24.26:3.2,13:24:9.8:3.2|
CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCc3cccc(c3)C(CCNC)Oc3ccccc3OC)c3ccc(cc3oc2c1)=[N+](CC)CC |(-8.01,9.63,;-8.01,11.17,;-6.68,11.94,;-6.68,13.48,;-8.01,14.25,;-5.34,11.17,;-5.34,9.62,;-4,8.85,;-2.67,9.62,;-1.32,8.85,;-1.32,7.31,;-2.66,6.53,;-2.65,4.99,;-1.32,4.23,;.01,5,;.01,6.54,;1.34,7.31,;2.68,6.54,;2.12,8.64,;.58,8.64,;-1.32,2.69,;-2.87,2.69,;-2.1,1.36,;.01,1.92,;1.34,2.69,;2.68,1.92,;2.68,.38,;4.01,-.39,;4.01,-1.93,;5.34,-2.7,;6.68,-1.93,;5.34,-4.24,;6.68,-5.01,;6.68,-6.55,;8.01,-7.32,;8.01,-8.85,;6.68,-9.62,;5.35,-8.86,;5.34,-7.32,;4.01,-9.63,;2.68,-8.86,;1.35,-9.63,;.01,-8.86,;-1.32,-9.63,;4.01,-11.17,;2.68,-11.94,;1.34,-11.17,;.01,-11.94,;.02,-13.48,;1.35,-14.25,;2.68,-13.48,;4.01,-14.25,;5.35,-13.48,;.01,9.63,;1.35,8.86,;2.68,9.64,;2.67,11.17,;1.34,11.94,;.01,11.17,;-1.33,11.94,;-2.67,11.17,;-4,11.94,;4.01,11.94,;4.01,13.48,;2.67,14.25,;5.34,11.17,;5.34,9.63,)|
CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCNCCCC3(OC(C)(C)c4ccccc34)c3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |(-13.51,6.61,;-13.51,8.15,;-12.18,8.92,;-12.18,10.46,;-13.51,11.23,;-10.84,8.15,;-10.84,6.6,;-9.5,5.83,;-8.17,6.61,;-6.82,5.83,;-6.82,4.29,;-8.16,3.52,;-8.15,1.98,;-6.82,1.21,;-5.49,1.98,;-5.49,3.52,;-4.15,4.29,;-2.82,3.52,;-3.38,5.63,;-4.92,5.63,;-6.82,-.33,;-8.37,-.33,;-7.6,-1.66,;-5.49,-1.09,;-5.49,-2.63,;-4.16,-3.4,;-4.16,-4.94,;-2.82,-5.71,;-2.82,-7.25,;-1.49,-8.02,;-1.49,-9.56,;-.16,-7.25,;1.18,-8.02,;2.51,-7.25,;3.84,-8.02,;5.18,-7.25,;6.51,-8.02,;7.85,-7.25,;9.18,-8.02,;9.51,-9.52,;11.05,-9.69,;11.05,-11.23,;12.38,-10.46,;11.67,-8.32,;13.17,-7.85,;13.51,-6.32,;12.36,-5.26,;10.86,-5.73,;10.51,-7.25,;9.18,-6.48,;7.85,-5.71,;7.85,-4.18,;9.18,-3.41,;10.51,-4.17,;10.52,-5.71,;-5.49,6.61,;-4.15,5.84,;-2.82,6.62,;-2.83,8.15,;-4.16,8.92,;-5.49,8.15,;-6.83,8.93,;-8.17,8.15,;-9.5,8.93,;-1.49,8.92,;-1.49,10.46,;-2.83,11.23,;-.16,8.15,;-.16,6.61,)|
CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCc3ccc4c(c3)C(C)(C)OC4(CCCNC)c3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |(-13.21,5.78,;-13.21,7.32,;-11.88,8.09,;-11.88,9.63,;-13.21,10.4,;-10.54,7.32,;-10.54,5.77,;-9.2,5,;-7.87,5.77,;-6.52,5,;-6.52,3.46,;-7.86,2.68,;-7.85,1.14,;-6.52,.38,;-5.19,1.15,;-5.19,2.69,;-3.86,3.46,;-2.52,2.69,;-4.62,4.79,;-3.08,4.79,;-6.52,-1.16,;-8.07,-1.16,;-7.3,-2.49,;-5.19,-1.93,;-5.19,-3.47,;-3.86,-4.24,;-3.86,-5.78,;-2.52,-6.55,;-2.52,-8.09,;-1.19,-8.86,;-1.19,-10.4,;.14,-8.09,;1.48,-8.86,;2.81,-8.09,;2.81,-6.55,;4.14,-5.78,;5.48,-6.55,;5.48,-8.09,;4.15,-8.86,;6.93,-8.54,;6.53,-10.03,;8.02,-9.63,;7.84,-7.3,;6.97,-6.09,;8.06,-4.99,;9.55,-5.39,;10.64,-4.3,;12.12,-4.7,;13.21,-3.61,;6.57,-4.6,;5.08,-4.2,;4.69,-2.72,;5.77,-1.63,;7.26,-2.02,;7.66,-3.5,;-5.19,5.78,;-3.85,5.01,;-2.52,5.79,;-2.53,7.32,;-3.86,8.09,;-5.19,7.32,;-6.53,8.09,;-7.87,7.32,;-9.2,8.09,;-1.19,8.09,;-1.19,9.63,;-2.53,10.4,;.14,7.32,;.14,5.78,)|
CCCCc1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)-c1ccc(OCCCN(CC)CC)cc1
CCCCc1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
CCCCn1nc(cc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
CCCCn1c(nc2cc(ccc12)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1)-c1cccc(Oc2ccc(Cl)cc2)c1
CCCCc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Cc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
CCc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
CCCc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
CC(C)c1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
CCCCc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(Cc2c[nH]c3ccc(cc23)C#N)CC1
CCCCc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCc2c[nH]c3ccc(cc23)C#N)CC1
CCCCc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
CCCCc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2cn(C)c3ccc(cc23)C#N)CC1
Cc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2cn(C)c3ccc(cc23)C#N)CC1
CCn1cc(CCCCN2CCC(CC2)c2nc(c(C)s2)-c2ccc(Oc3ccc(Cl)cc3)cc2)c2cc(ccc12)C#N
CCCc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2cn(C)c3ccc(cc23)C#N)CC1
CCCCc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2cn(CC)c3ccc(cc23)C#N)CC1
CCCCc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2cn(CCC)c3ccc(cc23)C#N)CC1
CCCCc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2cn(C(C)C)c3ccc(cc23)C#N)CC1
CCCCc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(Cc2cn(C)c3ccc(cc23)C#N)CC1
CCc1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
CCCc1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
CCCCCc1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
CC(C)c1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Clc1ccc(Oc2ccc(cc2)-n2cc(nc2C2CC2)C2CCN(CCCCc3c[nH]c4ccc(cc34)C#N)CC2)cc1
Clc1ccc(Oc2ccc(cc2)-n2cc(nc2C2CCC2)C2CCN(CCCCc3c[nH]c4ccc(cc34)C#N)CC2)cc1
Clc1ccc(Oc2ccc(cc2)-n2cc(nc2C2CCCC2)C2CCN(CCCCc3c[nH]c4ccc(cc34)C#N)CC2)cc1
Clc1ccc(Oc2ccc(cc2)-n2cc(nc2C2CCCCC2)C2CCN(CCCCc3c[nH]c4ccc(cc34)C#N)CC2)cc1
CCCCc1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(Cc2c[nH]c3ccc(cc23)C#N)CC1
CCCCc1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCc2c[nH]c3ccc(cc23)C#N)CC1
CCCCc1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
CCCCCc1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2cn(C)c3ccc(cc23)C#N)CC1
CCCCCc1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2cn(CC)c3ccc(cc23)C#N)CC1
CCCCCc1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2cn(CCC)c3ccc(cc23)C#N)CC1
CCCCCc1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2cn(C(C)C)c3ccc(cc23)C#N)CC1
Fc1ccc2[nH]cc(CCCNCC3CCN(CC3)C(=O)c3ccc(F)c(Cl)c3)c2c1
Fc1ccc2[nH]cc(CCCNCC3CCN(CC3)C(=O)c3ccc(Cl)c(Cl)c3)c2c1
[H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)OC)N2C |r|
[H][C@@]12CC[C@@]([H])(O1)[C@H]([C@H](C2)c1ccc(Cl)c(Cl)c1)C(=O)OC |r|
Clc1ccc(cc1)-c1cnc(nc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Fc1ccc(c(F)c1)-c1cnc(nc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
NC(=O)c1cccc(c1)-c1cnc(nc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Fc1ccc(cc1)-c1cnc(nc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
NC(=O)c1ccc(cc1)-c1cnc(nc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
COc1cc(F)ccc1-c1cnc(nc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
COc1ccccc1-c1cnc(nc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
CCCN1CCN(CC1)c1ccc2CCCC(N(C)C(=O)OCc3ccccc3)c2c1
O=C1CN2c3c(cccc3[C@@H]3CN(CCCc4n[nH]c5cc(F)ccc45)CC[C@@H]32)N1
O=C1CN2c3c(cccc3[C@@H]3CN(CCCOc4ccc(F)c(F)c4)CC[C@@H]32)N1
CC(O)CN1CCCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
CC(O)CN1CCCN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
OC(Cc1ccccc1)CN1CCCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
[O-][S+](CCN1CCCN(CC(O)Cc2ccccc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
COc1ccc(CC(O)CN2CCCN(CCSC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
COc1ccc(CC(O)CN2CCCN(CC[S+]([O-])C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
OC(Cc1ccc(F)cc1)CN1CCCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
[O-][S+](CCN1CCCN(CC(O)Cc2ccc(F)cc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
CC(O)CN1CCC(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
CC(O)CN1CCC(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
C[C@H](O)CN1CCC(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
C[C@H](O)CN1CCC(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
C[C@@H](O)CN1CCC(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
C[C@@H](O)CN1CCC(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
OC(Cc1ccccc1)CN1CCC(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
[O-][S+](CCC1CCN(CC(O)Cc2ccccc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
COc1ccc(N2CCN(CCSC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
COc1ccc(N2CCN(CC[S+]([O-])C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Fc1ccc(C(SCCN2CCN(c3ccncc3)CC2)c2ccc(F)cc2)cc1
[O-][S+](CCN1CCN(c2ccncc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
Fc1ccc(C(SCCN2CCN(c3ncccn3)CC2)c2ccc(F)cc2)cc1
[O-][S+](CCN1CCN(c2ncccn2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
Fc1ccc(C(SCCN2CCCN(c3ncccn3)CC2)c2ccc(F)cc2)cc1
[O-][S+](CCN1CCCN(c2ncccn2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
CC(F)CN1[C@H](C)CN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H]1C
CC(F)CN1[C@H](C)CN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H]1C
NC(=O)c1ccc2[nH]cc(CCCN3CCC(c4ccc(F)cc4-c4ccccc4)CC3)c2c1
CSc1ccccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
COc1ccccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
CCOc1ccccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
O=c1ccc2ccc(CCCCCN3CCN(c4cccc5sncc45)CC3)cc2[nH]1
NC(=O)c1cc2cc(N3CCN(CCc4ccc5ccc(=O)[nH]c5c4)CC3)ccc2o1
NC(=O)c1cc2cc(N3CCN(CCc4ccc5[nH]c(=O)ccc5c4)CC3)ccc2o1
NC(=O)c1cc2cc(N3CCN(CCc4ccc5c(c4)NC(=O)CC5)CC3)ccc2o1
NC(=O)c1cc2cc(N3CCN(CCc4ccc5c(c4)CCC(=O)N5)CC3)ccc2o1
NC(=O)c1cc2cc(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)ccc2o1
NC(=O)c1cc2cc(N3CCN(CCc4cc5c(cc4F)OCC(=O)N5)CC3)ccc2o1
NC(=O)c1cc2cc(N3CCN(CCc4ccc5c(c4)CC(=O)N5)CC3)ccc2o1
NC(=O)c1cc2cc(N3CCN(CCc4cc5c(cc4F)NC(=O)C5)CC3)ccc2o1
NC(=O)c1cc2cc(N3CCN(CCc4ccc5[nH]c(=O)oc5c4)CC3)ccc2o1
Cn1c(=O)oc2cc(CCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)ccc21
NC(=O)c1cc2cc(N3CCN(CCc4cccc5c4CC(=O)N5)CC3)ccc2o1
CC(=O)Nc1nc2ccc(CCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)cc2s1
NC(=O)c1cc2cc(N3CCN(CCc4ccc5nc(N)sc5c4)CC3)ccc2o1
NC(=O)c1cc2cc(N3CCN(CCc4ccc5ccc(=O)[nH]c5c4)CC3)ccc2s1
NC(=O)c1cc2cccc(N3CCN(CCc4ccc5ccc(=O)[nH]c5c4)CC3)c2s1
NC(=O)c1cc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CC5)CC3)cccc2s1
CNC(=O)c1cc2c(N3CCN(CCc4ccc5ccc(=O)[nH]c5c4)CC3)cccc2s1
NC(=O)c1cc2cc(N3CCN(CCCc4ccc5c(c4)CC(=O)N5)CC3)ccc2o1
NC(=O)c1cc2cc(N3CCN(CCCc4ccc5c(c4)CCC(=O)N5)CC3)ccc2o1
CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|
COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |r,wD:7.7,(46.55,-39.62,;46.55,-41.16,;47.89,-41.93,;49.21,-41.16,;50.55,-41.92,;51.88,-41.15,;52.18,-39.65,;51.41,-38.32,;49.87,-38.32,;52.18,-36.98,;51.41,-35.66,;52.17,-34.32,;53.72,-34.32,;54.49,-35.66,;53.72,-36.99,;53.7,-39.47,;54.46,-38.13,;54.34,-40.87,;53.21,-41.9,;53.22,-43.46,;51.89,-44.23,;50.55,-43.47,;49.22,-44.25,;47.88,-43.47,;46.55,-44.24,;46.51,-45.79,;47.74,-46.72,;45.04,-46.23,;44.16,-44.97,;45.09,-43.74,;44.64,-42.27,)|
C1[C@@H](NC2CCNCC2)[C@@H]1c1ccccc1 |r|
OC(=O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 |r|