5350 SMILES Strings for 5-hydroxytryptamine receptor 2C

Compound Name
SMILES String
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
NCCc1cn(c2ccccc12)S(=O)(=O)c1c(Cl)nc2sccn12
NCCC(=O)Nc1ccc2cnn(c2c1)S(=O)(=O)c1cccc2ccccc12
O=C(Nc1ccc2cnn(c2c1)S(=O)(=O)c1cccc2ccccc12)C1CCNCC1
O=C(Nc1ccc2cnn(c2c1)S(=O)(=O)c1cccc2ccccc12)C1CCCNC1
Clc1cccc(COc2ccc(Br)cc2OC2CNC2)c1
Cc1nc(COc2ccc(Cl)cc2OC2CNC2)cs1
FC(F)(F)c1cccc(COc2ccc(Cl)cc2OC2CNC2)n1
FC(F)(F)c1ccnc(COc2ccc(Cl)cc2OC2CNC2)c1
Clc1ccc(O[C@@H]2CCNC2)c(OCc2ccccc2)c1 |r|
CN1CC[C@H](C1)Oc1ccc(Cl)cc1OCc1ccccc1 |r|
Clc1cccc(COc2cc(Cl)ccc2O[C@@H]2CCNC2)c1 |r|
CN1CC[C@H](C1)Oc1ccc(Cl)cc1OCc1cccc(Cl)c1 |r|
Clc1cccc(COc2cc(Cl)ccc2O[C@H]2CCNC2)c1 |r|
C[C@@H](Oc1ccc(Cl)cc1OC1CNC1)c1cccc(c1)C(F)(F)F |r|
CC(Oc1ccc(Br)cc1OC1CNC1)c1cccc(Cl)c1
C[C@@H](Oc1ccc(Br)cc1OC1CNC1)c1cccc(c1)C(F)(F)F |r|
C[C@@H](Oc1ccc(Cl)cc1OC1CCNCC1)c1cccc(c1)C(F)(F)F |r|
Cc1ccc2CCC(Oc3ccc(Cl)cc3OC3CNC3)c2c1
Clc1ccc2CCC(Oc3ccc(Cl)cc3OC3CNC3)c2c1
FC(F)(F)c1ccc2CCC(Oc3ccc(Cl)cc3OC3CNC3)c2c1
Clc1ccc(OC2CCc3ccccc3C2)c(OC2CNC2)c1
COC(COc1ccc(Cl)cc1OC1CNC1)c1ccccc1
COc1ccc2CC(Cc2c1)Oc1ccc(Cl)cc1OC1CNC1
FC(F)(COc1ccc(Cl)cc1OC1CNC1)c1ccccc1
Clc1cccc(CCOc2ccc(Cl)cc2OC2CNC2)c1
Clc1ccc(OCCc2ccccc2)c(OC2CNC2)c1
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
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
CC1(CNC1)Oc1cc(Br)ccc1OCCc1ccccc1
C[C@@H]1NC[C@H]1Oc1cc(Br)ccc1OCc1cccc(F)c1 |r|
Clc1ccc(OC2CN(C2)c2ccccc2)c(OC2CNC2)c1
Cc1ccc(Oc2cc(Cl)ccc2O[C@H]2CCNC2)cc1 |r|
Cc1ccc(Oc2cc(Cl)ccc2O[C@@H]2CCNC2)cc1 |r|
CN1CC[C@H](C1)Oc1ccc(Cl)cc1Oc1ccc(C)cc1 |r|
Fc1ccc(Oc2cc(Cl)ccc2O[C@H]2CCNC2)cc1 |r|
Fc1ccc(Oc2cc(Cl)ccc2O[C@@H]2CCNC2)cc1 |r|
CN1CC[C@H](C1)Oc1ccc(Cl)cc1Oc1ccc(F)cc1 |r|
Cc1ccccc1Oc1cc(Cl)ccc1O[C@H]1CCNC1 |r|
Cc1cccc(Oc2cc(Cl)ccc2O[C@H]2CCNC2)c1 |r|
Cc1cc(Oc2cc(Cl)ccc2O[C@H]2CCNC2)ccc1F |r|
Clc1ccc(Oc2cc(Cl)ccc2O[C@H]2CCNC2)cc1 |r|
Clc1cccc(Oc2cc(Cl)ccc2O[C@H]2CCNC2)c1 |r|
Clc1ccc(O[C@H]2CCNC2)c(Oc2ccc(Br)cc2)c1 |r|
CC(C)c1ccc(Oc2cc(Cl)ccc2O[C@H]2CCNC2)cc1 |r|
O=S(=O)(c1c[nH]c2cccc(CCN3CCCCC3)c12)c1ccccc1
CCNC(=O)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl
CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
c1ccc2c(c1)NC(=O)N2CCCN3CCC(CC3)N4c5ccc(cc5NC4=O)Cl
OCCN1CCN(CC\C=C2/c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
CN1CCN(CC1)C1=Nc2cc(F)ccc2Cc2ccccc12 |t:8|
OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F
c1ccc2c(c1)C(=O)N(C(=O)N2)CCN3CCC(CC3)C(=O)c4ccc(cc4)F
CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12 |t:8|
CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1
CN1CCCCC1CCN1c2ccccc2Sc2ccc(cc12)S(C)=O
CN(C)S(=O)(=O)N[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC
Clc1cncc(n1)N1CCNCC1
c1ccc2c(c1)NC(=O)N2C3CCN(CC3)CCCC(c4ccc(cc4)F)c5ccc(cc5)F
C1CN(CCN1)c1ccc2ccccc2n1
CN1CCN(CC1)C1=Cc2cc(Cl)ccc2C(=CC#N)c2ccccc12 |w:17.19,t:8|
CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)c4c5ccc(cc5on4)F
[#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|
c1ccc(cc1)N2CNC(=O)C23CCN(CC3)CCCC(=O)c4ccc(cc4)F
CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
CN1CCN(CC1)C1=Nc2cscc2C(=CC#N)c2cscc12 |w:15.17,t:8|
CN1CCCC[C@H]1CCN2c3ccccc3Sc4c2cc(cc4)SC
CN(C)S(=O)(=O)c1ccc2Sc3ccccc3\C(=C\CCN3CCN(C)CC3)c2c1
O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12
CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7|
CCN(CC)CCOC(=O)c1cc(Cl)c(N)cc1OC
c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=N)N
NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCc1ccccc1 |w:14.15|
NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
C1CN(CCN1)c1cccc2OCCOc12
Clc1cccc(c1)N1CCNCC1
CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34
CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3cn(c4c3c(ccc4)C2=C1)C)C
CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12
OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1
CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)Cl
CN(C)CCCN1c2ccccc2Sc3c1cccc3
CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F
CN1CCN2c3ccccc3Cc4ccccc4[C@H]2C1
c1cnc(nc1)N2CCN(CC2)CCCCN3C(=O)CC4(CCCC4)CC3=O
CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1
CC1(CC(=O)N(C(=O)C1)CCCCN2CCN(CC2)c3ncccn3)C
CN(C)CCCN1c2ccccc2CCc3c1cccc3
CC(C)NC[C@@H](COc1cccc2c1cccc2)O
Cc1nc2C(O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
CCCN(CCC)C1Cc2c[nH]c3ccc(C(C)=O)c(C1)c23
Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc12
COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCC2CCN(CCNS(C)(=O)=O)CC2)cc(OC)c1
CN(C)Cc1nnc2CN=C(c3ccccc3)c3cc(Cl)ccc3-n12 |t:9|
[#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
CNCCCN1c2ccccc2CCc3c1cccc3
N[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
CN(C)CC/C=C\1/c2ccccc2COc3c1cccc3
CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CC
COc1ccc(OC[C@H]2CN(C)CC[C@@H]2c2ccccc2)cc1
CNCC[C@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F
CN(CCCN1c2ccccc2CCc2ccccc12)CC(=O)c1ccc(Cl)cc1
CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
c1ccc(cc1)[C@H](CCN)Oc2ccc(cc2)C(F)(F)F
[#6]-[#7]-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)F
CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
CNCCC(Oc1ccccc1C)c1ccccc1
Clc1cccc(c1)N1CCN(CCCn2nc3ccccn3c2=O)CC1
COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
CC(=O)c1ccc2Sc3ccccc3N(CCCN3CCN(CCO)CC3)c2c1
Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1 |t:13|
CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC
CCCCN1CCC(COC(=O)c2cc(Cl)c(N)c3OCCOc23)CC1
NCCc1c[nH]c2ccc(O)cc12
COc1cc(CC(C)N)c(OC)cc1Br
COc1cc(CC(C)N)c(OC)cc1I
COc1cc(CC(C)N)c(OC)cc1C
CC(N)Cc1ccc2OCOc2c1
Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
CC(C)NC[C@@H](COc1ccccc1CC=C)O
COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
O=C1CC2(CCCC2)CC(=O)N1CCNCC1COc2ccccc2O1
COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
C(CN1CCN(CC1)c1cccc2OCCOc12)C1Cc2ccccc12
C1C(Cc2ccccc12)N1CCN(CC1)c1cccc2OCCOc12
C(CN1CCN(CC1)c1cccc2OCCOc12)C1CCc2ccccc12
CC(C)(C)NCC(O)COc1cccc2CCCSc12
COc1ccccc1N1CCN(C[C@@H](C(=O)NC(C)(C)C)c2ccccc2)CC1 |r|
CC(C)n1cc(CCN)c2cc(C)ccc12
CC(C)n1cc(CCN)c2ccccc12
NCCc1c[nH]c2ccc(Br)cc12
CC(C)n1cc(CCN)c2cc(Br)ccc12
COc1ccc2c(c1)c(c[nH]2)CCN
Cc1ccc2c(c1)c(c[nH]2)CCN
CC(C)n1cc2CC3C(CC(CN3C)C(=O)NC3CCCCC3)c3cccc1c23
CC(CO)NC(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:22|
CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)NC1CCCCC1
CC(C)n1cc2CC3C(CC(CN3C)C(=O)NC3CCCC3O)c3cccc1c23
CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@@H]1CCC[C@@H]1O
COC1CCC(CC1)OC(=O)[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1 |wU:13.24,11.11,wD:14.28,(3.85,8.25,;3.08,6.91,;3.85,5.58,;5.39,5.58,;6.16,4.25,;5.39,2.91,;3.85,2.91,;3.08,4.25,;6.16,1.58,;5.39,.24,;3.85,.24,;6.16,-1.09,;6.16,-2.63,;7.49,-3.4,;8.83,-2.63,;10.16,-3.4,;10.16,-4.94,;11.31,-5.97,;10.68,-7.38,;9.15,-7.22,;8,-8.25,;6.54,-7.77,;6.22,-6.26,;7.49,-4.94,;8.83,-5.71,;8.83,-1.09,;10.16,-.32,;7.49,-.32,)|
CC(O)C(C)OC(=O)C1CC2C(Cc3cn(C(C)C)c4cccc2c34)N(C)C1
CC(O)C(C)OC(=O)C1CC2C(Cc3c[nH]c4cccc2c34)N(C)C1
CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1cn(C)c3cccc2c13
CCCN(CCC)CCc1cn(C(C)C)c2ccc(O)cc12
COC1CCC(CC1)OC(=O)C1CC2C(Cc3cn(C(C)C)c4cccc2c34)N(C)C1 |(1.08,-14.15,;-.25,-13.38,;-.25,-11.84,;1.09,-11.07,;1.09,-9.53,;-.24,-8.76,;-1.58,-9.53,;-1.58,-11.07,;-.24,-7.22,;-1.58,-6.45,;-2.91,-7.22,;-1.57,-4.91,;-.24,-4.14,;-.24,-2.6,;-1.57,-1.83,;-1.57,-.29,;-.24,.48,;.32,2.08,;1.86,2.08,;2.75,3.34,;2.1,4.74,;4.28,3.2,;2.43,.48,;3.76,-.29,;3.76,-1.83,;2.43,-2.6,;1.09,-1.83,;1.09,-.29,;-2.9,-2.6,;-4.24,-1.83,;-2.91,-4.14,)|
NCCc1c[nH]c2ccccc12
CCCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1
COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1
NC(SCCCc1cnc[nH]1)=NCCc1ccc(I)cc1 |w:11.12|
S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
CCCN(CCC)C1CCc2cccc(O)c2C1
FC(F)(F)c1ccc(cc1)N1CCN(CCn2c3ccccc3[nH]c2=O)CC1
COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r|
COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c4c(cccc4[nH]c3Br)C2=C1)C
OC(C1CCN(CCc2ccccc2)CC1)c1ccccc1
CC(=O)NCCc1c[nH]c2c1cc(cc2)OC
CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1 |c:8,15|
NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N1CCCCC1
Cc1nc2ccccn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1
Cc1cc(NC(=O)Nc2ccc3n(C)ccc3c2)sn1
COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
Cn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
CN1CC2C(C1)c1cc(Cl)ccc1Oc1ccccc21
OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13|
[#7]\[#6](-[#7])=[#7]\[#7]=[#6](-[#6]-1-[#6]-[#6]-[#6](Cl)-[#16]-1)-c1ccccc1 |w:4.3|
[#6]-[#6]-[#6]-c1c(-[#6]-[#8]-c2ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])cc2)ccc(-[#6](-[#6])=O)c1-[#8] |w:11.10|
[#6]-[#6]-[#6]-c1c(-[#6]-[#8]-c2ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c(-[#8]-[#6])c2)ccc(-[#6](=O)-[#6]-[#6])c1-[#8] |w:11.10|
[#6]-[#6]-[#6]-c1cc(ccc1-[#8]-c1cccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c1)C([#6])([#6])[#6] |w:15.15|
[#6]-[#6]-[#6]-c1c(-[#6]-[#8]-c2ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])cc2)ccc(-[#6](=O)-[#6]-[#6])c1-[#8] |w:11.10|
[#6]-c1ccc(-[#6])c(-[#6]-[#8]-c2ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])cc2)c1 |w:13.12|
[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cccc(-[#8]-[#6]-c2ccc(cc2)-[#6](=O)-c2ccccc2)c1 |w:5.5|
CCc1c(O)c(ccc1COc1ccc(C=O)cc1)C(C)=O
CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
CN(C)CCCN1c2ccccc2CCc3c1cc(cc3)Cl
C[N@](CCCOc1ccc(cc1Cl)Cl)CC#C
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|
CN1Cc2c(cccc2N)[C@@H](C1)c3ccccc3
CN(C)C\C=C(\c1ccc(Br)cc1)c1cccnc1
C(Oc1cccnc1)[C@@H]1CCN1 |r|
Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
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
CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1Cl
[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:16|
CCCN(CCC)CCc1c[nH]c2ccc(cc12)C(N)=O
C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@H]5CN([C@@H]6Cc7c[nH]c8c7c(ccc8)C6=C5)C
[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)NC(=O)N(CC)CC)c34 |r,c:12|
CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Cc1cc(c(c(c1CC2=NCCN2)C)O)C(C)(C)C
COc1cc(OC)c(cc1NS(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
CN1CC[C@@H]2CN3CCc4cccc([C@@H]2C1)c34 |r|
CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 |(27.19,-33.96,;28.52,-34.73,;28.53,-36.27,;27.2,-37.04,;27.2,-38.58,;25.86,-39.35,;28.53,-39.36,;28.53,-40.89,;29.87,-38.58,;29.86,-37.03,;31.19,-36.26,;31.19,-34.72,;32.53,-37.02,;33.86,-36.25,;35.2,-37.02,;36.52,-36.25,;36.52,-34.71,;35.19,-33.94,;33.85,-34.71,;34.61,-36.04,;35.74,-34.91,)|
OC(CN1CCN(CC1)c1cccc(Cl)c1)C(c1ccccc1)c1ccccc1
COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1OCCN(C)C
CN(C)C1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1
CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC
Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1 |r,TLB:21:22:28:26.25|
C[C@H](CCN1CCC(C)CC1)N(C)S(=O)(=O)c1cccc(C)c1
Cc1[nH]c2ccc(O)cc2c1CCN
C[C@@H](Cc1ccccc1)N
CN1CCc2cccc-3c2[C@H]1Cc4c3c(c(cc4)O)O
CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5Cc6c7c(cccc7[nH]c6Br)C5=C4)C)O
c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N
CN1CCN(CC1)c1nc2cc(ccc2n2cccc12)C(F)(F)F
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)c1ccccc1)N2C |@@:20|
C[C@H](Cc1ccccc1)N(C)CC#C |r|
CN1CC(CC2C1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)C3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O
c1cc(c(cc1CCN)O)O
CCc1cc(c(c(c1O)C(=O)NC[C@@H]2CCC[N@]2CC)OC)Cl
c1ccc(cc1)CCCN2CCN(CC2)CCOC(c3ccc(cc3)F)c4ccc(cc4)F
CC[C@@H]1CC2C[C@H]3C1N(C2)CCc1c3[nH]c2ccc(OC)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|
CN1C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12 |THB:9:7:1:3.4|
C1CN=C(N1)C1COc2ccccc2O1 |c:2|
NC(Cc1ccc(O)c(O)c1)C(O)=O
CN1C2CCC1CC(C2)OC(=O)c1cc(Cl)cc(Cl)c1 |THB:9:7:1:3.4|
C[C@@H](Cc1ccccc1)NC
COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1
NCC(O)c1ccc(O)c(O)c1
Cc1nccn1CC2CCc3c(c4ccccc4n3C)C2=O
Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10|
CCCN1CCCC(C1)c1cccc(O)c1
CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12 |r|
COc1ccc2c(c1)[nH]c3c2CCN4[C@@H]3C[C@H]5[C@@H](C4)C[C@H]([C@@H]([C@H]5C(=O)OC)OC)OC(=O)c6cc(c(c(c6)OC)OC)OC
Oc1cc2CCNC[C@H](c3ccccc3)c2cc1O
Oc1cc2CCN(CC=C)CC(c3ccccc3)c2cc1O
Oc1cc2[C@H](C[NH2+]CCc2c(Cl)c1O)c1ccccc1
Oc1cc2C(CN(CC=C)CCc2c(Cl)c1O)c1ccccc1
c1ccc(cc1)[C@@H]2C[C@H]2N
CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C
CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1
CCCCCCOc1c(nsn1)C2=CCCN(C2)C
c1cc2c(cc1C(=O)N)c(c[nH]2)CCN
FC(F)(F)c1cccc(c1)N1CCNCC1
CCCNC(C)Cc1cc(OC)c(Br)cc1OC
COc1ccc(OC)c(CC(C)N)c1
COc1cc(C(C)=O)c(OC)cc1CC(C)N
COc1cc(Cc2ccccc2)c(OC)cc1CC(C)N
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO |r,t:8|
COc1cc(C#N)c(OC)cc1CC(C)N
COc1cc(CC(C)N)c(OC)cc1F
CCCCCCc1cc(OC)c(CC(C)N)cc1OC
COc1cc(c(OC)cc1CC(C)N)[N+]([O-])=O
CCCc1cc(OC)c(CC(C)N)cc1OC
COc1cc(c(OC)cc1CC(C)N)C(C)(C)C
COc1cc(CC(C)N(C)C)c(OC)cc1Br
COCCOCCl
COc1cc(CC(C)[N+](C)(C)C)c(OC)cc1Br
COc1cc(CC(C)N)cc(OC)c1OC
COCCCC/C(=N\OCCN)/c1ccc(cc1)C(F)(F)F
CC(C)c1cc(nc(N)n1)-c1ccc(F)c2ccccc12
CC(C)(N)n1ccc2cc(F)c(F)cc12
Cn1cc(CCN)c2cc(O)ccc12
CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C
C[C@H](N)Cc1cccc(c1)C(F)(F)F
FC(F)(F)c1ccc(nc1Cl)N1CCNCC1
COc1ccc2CCCc2c1[C@@H]1CCNC1
CC(N)Cn1ccc2cc(F)c(Cl)cc12
COc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:9|
Fc1cccc2OC3CNCC3Oc12
CCN[C@@H](C)Cc1cccc(c1)C(F)(F)F |r|
CCN[C@H](C)Cc1cccc(c1)C(F)(F)F |r|
C[C@@H](N)Cc1cccc(c1)C(F)(F)F |r|
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(Br)c2)CC1
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1
CC1CCN(CC[C@H]2CCCCC2S(=O)(=O)c2cccc3ccccc23)CC1
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(C)c2)CC1
CC1CCN(CCC2CCCCC2S(=O)(=O)c2cccc3ccccc23)CC1
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 |r|
[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccsc2-[#6]-[#6]-c2ccccc-12
CCCN(CCC)C1CCc2cc(CS(=O)(=O)c3ccc(OC)cc3)ccc2C1
OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1
O=C(NCCCCN1C[C@@H]2COc3ccc(cc3[C@H]2C1)C#N)c1ccc(cc1)-c1ccccc1 |r|
O=C(NC1CC[C@H](CCN2CCc3cc(ccc3C2)C#N)CC1)c1ccnc2ccccc12 |wD:6.6,(-3.87,-1.76,;-3.86,-3.3,;-2.52,-4.08,;-1.18,-3.3,;-1.19,-1.76,;.15,-.99,;1.48,-1.76,;2.83,-.99,;4.16,-1.76,;5.49,-.99,;5.49,.54,;6.84,1.31,;8.17,.53,;9.5,1.3,;10.83,.53,;10.81,-1.01,;9.48,-1.78,;8.16,-1.01,;6.84,-1.78,;12.17,1.29,;13.5,2.07,;1.48,-3.3,;.15,-4.08,;-5.19,-4.09,;-5.19,-5.64,;-6.54,-6.41,;-7.87,-5.64,;-7.87,-4.09,;-9.19,-3.33,;-9.2,-1.81,;-7.87,-1.03,;-6.54,-1.78,;-6.54,-3.33,)|
c1cc(ccc1C(CCCN2CCC(CC2)(c3ccc(c(c3)C(F)(F)F)Cl)O)c4ccc(cc4)F)F
Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1
CCNC(C)Cc1cccc(c1)C(F)(F)F
CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C
CC(C)(N)Cc1ccccc1
COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
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(=O)NC(C)C)c2C1
CCCN(C(C)C)[C@H]1COc2cccc(C(N)=O)c2C1
CNCC[C@@H](c1cccs1)Oc2cccc3c2cccc3
Cc1ccc2c(c1)c3c([nH]2)[C@@H](NCC3)Cc4ccc(c(c4Cl)OC)OC
CC(N)Cn1ccc2c1-c1cc(C)ccc1C2(C)C
CCc1c(O)c2C(=O)CC3CN(C)CC3c2cc1OC
CCOC(=O)Cc1ccc(cc1)C1NCCc2c1[nH]c1ccc(Cl)cc21
Cc1cc2CCN(C(=O)Nc3cccc4ncccc34)c2cc1Cl
Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)|
[#6]-[#6](-[#6])-[#6](=O)[C@]12[#6](=O)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6])-[#6](=O)[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]-[#6@H](-[#6]\[#6]=[#6](/[#6])-[#6])[C@@]1([#6])[#6]-[#6]\[#6]=[#6](/[#6])-[#6])[#6]2=O |r,THB:38:37:6.8.14:22.23.29|
Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c1c1c5c(c(O)cc(O)c5c4=O)c4c(O)cc(O)c(c4c31)c2=O
OCC1OC(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C(O)C1O
OCC1OC(O)C(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C1O
c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O)O)O)O)O
Nc1c(Cl)cc(-c2nn(C3CCN(CCc4ccccc4)CC3)c(=O)o2)c2OCCOc12
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|
CNCC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1
CN(C)CCC[C@@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r|
CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(Cc3c[nH]c4cccc2c34)N(CC=C)C1
CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
C(N1CCN(CC1)c1ncccn1)c1ccc2OCOc2c1
CCCNC1CCc2nc(N)sc2C1
CCCN1CCC[C@@H]2Cc3nc(N)ncc3C[C@@H]12
CCCN(CCC)CCc1cccc2NC(=O)Cc12
Oc1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1 |c:15|
Nc1nc2CCN(CC=C)CCc2s1
CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
C[NH+](C)C1CCc2cc(O)c(O)cc2C1
CC(CN(C)C)CN1c2ccccc2Sc2ccc(cc12)C#N
c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4
CN(C)S(=O)(=O)c1ccc2Sc3ccccc3C(=CCCN3CCN(C)CC3)c2c1 |w:18.19|
NC(CSSCC(N)C(O)=O)C(O)=O
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
C(CS(=O)(=O)O)[C@@H](C(=O)O)N
N[C@@H](CCS(O)=O)C(O)=O |r|
N[C@H]1CCSC1=O |r|
CC(=O)NCCc1cccc2c1cc(cc2)OC
C[C@@H](Cc1ccc2c(c1)OCO2)NC
CCc1cc2c(ccc3cnn(CC(C)N)c23)o1
CCCN1CCOC2C1CCc1ccc(cc21)C(N)=O
COc1ccc(CC(=O)N(Cc2ccc(C)cc2)C2CCN(C)CC2)cc1
CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Fc1ccc(OCCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)cc1
CC(C)CC(N)C1(CCC1)c1ccc(Cl)cc1
CN1CC(C=C2C1Cc1c[nH]c3cccc2c13)C(=O)NC1(C)OC2(O)C3CCCN3C(=O)C(Cc3ccccc3)N2C1=O |c:4|
CCN(CC)C(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:22|
COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
CN(C)S(=O)(=O)NC1CC2C(Cc3cn(C)c4cccc2c34)N(C)C1
CN1CC(CNC(=O)OCc2ccccc2)CC2C1Cc1cn(C)c3cccc2c13
CCC(CO)NC(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:23|
CN1CCN2C(C1)c1ccccc1Cc1ccccc21
COc1ccc2CCCc2c1O[C@H]1CCNC1
CC(C)NCC(O)COc1cccc2[nH]ccc12
CCCN1CCCC2Cc3[nH]ncc3CC12
CSc1cc2CCN(C(=O)Nc3cccnc3)c2cc1C(F)(F)F
CC(C)CC(N(C)C)C1(CCC1)c1ccc(Cl)cc1
C[C@H](N)CN1CCc2ccc(Br)cc12
NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
CN1CCN(CC1)C2=Nc3cc(ccc3Nc4c2cccc4)Cl
CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
Cc1nc(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(Cl)c1
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
COc1ccc(cc1)-n1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1C
Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccc(Cl)cc1
CCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
CCc1nc(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(Cl)c1Cl
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)NCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc(F)cc1
Cc1nc(C(=O)NCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc2OCOc2c1
CCCc1nc(cn1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
CCCc1nc(cn1-c1ccccc1)C(=O)NCC(O)CN1CCN(CC1)c1cccc(C)c1C
CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc(OC)cc1
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
CC(C)COc1ccc(cc1)CNC(=O)N(Cc2ccc(cc2)F)C3CCN(CC3)C
[#6]-[#7](-[#6])-[#6]-[#6]-[#8]-[#7]\[#6](=[#6]\[#6]=[#6]-1\[#6]=[#6]-[#6](=O)-[#6]=[#6]-1)-c1ccccc1F |c:11,15|
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc3c4CCCc4c(=O)oc3c2)CC1
OCc1ccccc1N1CCN(CCCCOc2ccc3c4CCCc4c(=O)oc3c2)CC1
Clc1c(OCCCCN2CCN(CC2)c2nsc3ccccc23)ccc2c3CCCc3c(=O)oc12
Fc1ccc2c(noc2c1)C1CCN(CCCCOc2ccc3c4CCCc4c(=O)oc3c2Cl)CC1
OCc1ccccc1N1CCN(CCCCOc2ccc3c4CCCCc4c(=O)oc3c2)CC1
Clc1cccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1Cl
Clc1cccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
C(CN1CCO[C@H](COc2ccccc2)C1)N1CCc2ccccc12 |r|
Clc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1 |r|
COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1 |r|
Fc1ccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)cc1 |r|
CC1Cc2ccccc2N1C(=O)CN1CCO[C@@H](COc2cc(C)ccn2)C1 |r|
CNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
COc1cc(\C=C\C(=O)NCC=C)cc(OC)c1OC
CCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
CCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
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
Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1 |t:5|
C(OC1CCNCC1)c1ccc2ccccc2c1
OCCc1c[nH]c2ccc(O)cc12
[H][C@@]12CCC[C@]1([H])c1cccc3CNCCN2c13 |r|
COc1ccc2CNCCN3[C@@H]4CCC[C@@H]4c1c23 |r|
Oc1ccc2CNCCN3[C@@H]4CCC[C@@H]4c1c23 |r|
C#CCOCCOc1ccc2CNCCN3[C@@H]4CCC[C@@H]4c1c23 |r|
C#CCOCCOCCOc1ccc2CNCCN3[C@@H]4CCC[C@@H]4c1c23 |r|
C#COCCOCCOCCOc1ccc2CNCCN3[C@@H]4CCC[C@@H]4c1c23 |r|
COc1cc2[C@H]3CCC[C@H]3N3CCNCc(c1)c23 |r|
COc1ccc2CNCCN3[C@H]4CCC[C@H]4c1c23 |r|
CCCc1cnc2N3CCNC[C@H]3CCc2c1 |r|
[H][C@]12CCc3c(Cc4ccccc4)ccnc3N1CCNC2 |r|
COCCc1ccnc2N3CCNC[C@H]3CCc12 |r|
CCCCCc1ccnc2N3CCNC[C@H]3CCc12 |r|
CCCC(C)c1ccnc2N3CCNC[C@H]3CCc12 |r|
CCc1ccnc2N3CCNC[C@H]3CCc12 |r|
CC(C)c1ccnc2N3CCNC[C@H]3CCc12 |r|
CCCCc1ccnc2N3CCNC[C@H]3CCc12 |r|
CCCc1ccnc2N3CCNC[C@H]3CCc12 |r|
CC(C)Cc1ccnc2N3CCNC[C@H]3CCc12 |r|
[H][C@]12CCc3c(Cc4cccc(F)c4)ccnc3N1CCNC2 |r|
Fc1ccccc1Cc1ccnc2N3CCNC[C@H]3CCc12 |r|
Cc1ccnc2N3CCNC[C@H]3CCc12 |r|
CC(C)CCc1ccnc2N3CCNC[C@H]3CCc12 |r|
COCc1ccnc2N3CCNC[C@H]3CCc12 |r|
C(C1CCCCC1)c1ccnc2N3CCNC[C@H]3CCc12 |r|
[H][C@]12CCc3c(CC(C)(C)C)ccnc3N1CCNC2 |r|
OC(C1CCC1)c1ccnc2N3CCNC[C@H]3CCc12 |r|
C1CN2[C@H](CCc3c2nccc3-c2cccs2)CN1 |r|
[H][C@]12CCc3c(Cc4ccc(F)cc4)ccnc3N1CCNC2 |r|
CCCc1cnc2N3CCNC[C@H]3CCc2c1CC |r|
CCc1c(Cc2ccccc2)cnc2N3CCNC[C@H]3CCc12 |r|
C(C1CCCCO1)c1ccnc2N3CCNC[C@H]3CCc12 |r|
C(OCc1ccnc2N3CCNC[C@H]3CCc12)C1CCOCC1 |r|
Brc1ccnc2N3CCNCC3CCc12
C(C1CCC1)c1ccnc2N3CCNCC3CCc12
N#CCCc1ccnc2N3CCNC[C@H]3CCc12 |r|
C(c1ccccn1)c1ccnc2N3CCNC[C@H]3CCc12 |r|
C\C=C\Cc1ccnc2N3CCNC[C@H]3CCc12 |r|
CC(C)OCc1ccnc2N3CCNC[C@H]3CCc12 |r|
Clc1ccc(nc1)-c1ccnc2N3CCNC[C@H]3CCc12 |r|
C1CCC(C1)c1ccnc2N3CCNC[C@H]3CCc12 |r|
[H][C@]12CCc3c(ccnc3N1CCNC2)C1CCC1 |r|
[H][C@]12CCc3c(CCC(F)(F)F)ccnc3N1CCNC2 |r|
Brc1ccnc2N3CCCNC[C@H]3CCc12 |r|
FC(F)(F)CCc1ccnc2N3CCCNC[C@H]3CCc12 |r|
CC1CC2CNCCN2c2ncccc12
CSc1nc(Cl)c2CC[C@@H]3CNCCCN3c2n1 |r|
Clc1ncnc2N3CCCNC[C@H]3CCc12 |r|
C(Cc1ccnc2N3CCNC[C@H]3CCc12)c1ccccc1 |r|
CCc1c(CCC#N)cnc2N3CCNC[C@H]3CCc12 |r|
CCc1c(COC(C)C)cnc2N3CCNC[C@H]3CCc12 |r|
CCc1c(CC2CCCCC2)cnc2N3CCNC[C@H]3CCc12 |r|
CCc1c(CC2CCCCO2)cnc2N3CCNC[C@H]3CCc12 |r|
CCc1c(cnc2N3CCNC[C@H]3CCc12)C1CCC1 |r|
FC(F)(F)CCc1c(Cl)cnc2N3CCNC[C@H]3CCc12 |r|
CN1CCN2[C@H](CCc3c(CCC(F)(F)F)ccnc23)C1 |r|
CSc1nc(Cl)c2CC[C@@H]3CNCCN3c2n1 |r|
C(C1CCCC1)c1ccnc2N3CCNC[C@H]3CCc12 |r|
CCc1c(CC2CCCC2)cnc2N3CCNC[C@H]3CCc12 |r|
Brc1cncc2N3CCNC[C@H]3CCc12 |r|
[H][C@]12CCc3c(CCC)cncc3N1CCNC2 |r|
C(C1CCCCC1)c1cncc2N3CCNC[C@H]3CCc12 |r|
C(c1ccccc1)c1cncc2N3CCNC[C@H]3CCc12 |r|
[H][C@]12CCc3c(CC4CCC4)ccnc3N1CCNC2 |r|
Cc1ccc2c(Oc3cc(Cl)ccc3N=C2N2CCN(CC(C)(C)C(O)=O)CC2)c1 |c:15|
Cc1ccc2c(Oc3cc(F)ccc3N=C2N2CCN(CC(C)(C)C(O)=O)CC2)c1 |c:15|
Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3ccc(C)cc3Oc2c1 |t:5|
CC(C)(CN1CCN(CC1)C1=Nc2ccccc2Cc2ccccc12)C(O)=O |t:11|
Cc1ccc2c(Oc3ccc(F)cc3N=C2N2CCN(CC(C)(C)C(O)=O)CC2)c1 |c:15|
Cc1ccc2c(Oc3ccc(Cl)cc3N=C2N2CCN(CC(C)(C)C(O)=O)CC2)c1 |c:15|
CC(C)(CN1CCN(CC1)C1=Nc2cc(F)ccc2Oc2cc(F)ccc12)C(O)=O |t:11|
Cc1ccc2Oc3cc(ccc3C(=Nc2c1)N1CCN(CC(C)(C)C(O)=O)CC1)C(F)F |c:13|
Cc1ccc2Oc3ccc(Cl)cc3N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c2c1 |t:14|
COc1ccc2Oc3ccc(Cl)cc3N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c2c1 |t:15|
CC(C)(CN1CCN(CC1)C1=Nc2ccccc2Cc2cc(F)ccc12)C(O)=O |t:11|
Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3ccccc3Cc2c1 |t:5|
CC(C)(CN1CCN(CC1)C1=Nc2ccccc2Oc2cccc(F)c12)C(O)=O |t:11|
Cc1ccc2Oc3ccc(C)cc3C(=Nc2c1)C1CCN(CC(C)(C)C(O)=O)CC1 |c:14|
Cc1ccc2N=C(C3CCN(CC(C)(C)C(O)=O)CC3)c3cc(C)ccc3Oc2c1 |t:5|
Cc1ccc2c(Oc3ccc(C)cc3N=C2C2CCN(CC(C)(C)C(O)=O)CC2)c1 |c:15|
CC(C)(CN1CCC(CC1)C1=Nc2ccccc2Oc2ccccc12)C(O)=O |t:11|
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|
CN(C)[C@H]1C[C@@H](c2cccc(Br)c2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@H](c2cccc(Br)c2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@@H](c2cccc(Cl)c2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@H](c2cccc(Cl)c2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@@H](c2cccc(F)c2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@H](c2cccc(F)c2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@@H](c2cccc(c2)-c2cccs2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@H](c2cccc(c2)-c2cccs2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@@H](c2cccc(c2)-c2cccs2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@H](c2cccc(c2)-c2cccs2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@@H](c2cccc(c2)-c2ccco2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@H](c2cccc(c2)-c2ccco2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@@H](c2cccc(c2)-c2ccco2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@H](c2cccc(c2)-c2ccco2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@@H](c2cccc(c2)-c2ccncc2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@H](c2cccc(c2)-c2ccncc2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@@H](c2cccc(c2)-c2ccncc2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@H](c2cccc(c2)-c2ccncc2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@@H](c2cccc(c2)-c2ccccc2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@H](c2cccc(c2)-c2ccccc2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@@H](c2cccc(c2)-c2ccccc2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@H](c2cccc(c2)-c2ccccc2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@@H](c2cccc(c2)-c2ccccc2F)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@H](c2cccc(c2)-c2ccccc2F)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@@H](c2cccc(c2)-c2ccccc2F)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@H](c2cccc(c2)-c2ccccc2F)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@@H](c2cccc(c2)-c2cccc(F)c2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@H](c2cccc(c2)-c2cccc(F)c2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@@H](c2cccc(c2)-c2cccc(F)c2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@H](c2cccc(c2)-c2cccc(F)c2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@@H](c2cccc(c2)-c2ccc(F)cc2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@H](c2cccc(c2)-c2ccc(F)cc2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@@H](c2cccc(c2)-c2ccc(F)cc2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@H](c2cccc(c2)-c2ccc(F)cc2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@@H](c2cccc(c2)-c2ccc(Cl)cc2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@H](c2cccc(c2)-c2ccc(Cl)cc2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@@H](c2cccc(c2)-c2ccc(cc2)N(C)C)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@H](c2cccc(c2)-c2ccc(cc2)N(C)C)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@@H](c2cccc(c2)-c2ccc(cc2)N(C)C)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@H](c2cccc(c2)-c2ccc(cc2)N(C)C)c2ccccc2C1 |r|
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)CCc1c[nH]c2c1c(ccc2)O
COc1cc(c(OC)cc1C1CCCNC1)C(F)(F)F
CN1CCC(CC1)NC(=O)N(Cc1ccn(C)n1)Cc1ccc(Oc2ccccc2)cc1
CC(C)COc1ccc(CN(Cc2ccn(C)n2)C(=O)NC2CCCN(C)CC2)cc1
CC(C)COc1ccc(CN(Cc2ccc(F)cn2)C(=O)N[C@H]2CCNC[C@H]2F)cc1 |r|
CC(C)COc1ccc(CN(Cc2ccn(C)n2)C(=O)CC2CCN(C)CC2)cc1
CN1CCC(CC1)NC(=O)N(Cc1ccn(C)n1)Cc1ccc2OCCc2c1
CN1CCC(CC1)NC(=O)N(Cc1ccn(C)n1)Cc1ccc(cc1)C1CC1
CC(C)CNc1ccc(CN(Cc2ccn(C)n2)C(=O)NC2CCN(C)CC2)cc1
CC(C)COc1ccc(CN(Cc2ccc(C)cn2)C(=O)NC2CCN(C)CC2)cc1
CC(C)COc1ccc(CN(Cc2cc3ccccc3o2)C(=O)NC2CCN(C)CC2)cc1
CC(C)COc1ccc(CN(Cc2ccn(C)n2)C(=O)N[C@H]2CCN(C)CC22CC2)cc1 |r|
CC(C)COc1ccc(CN(Cc2ccn(C)n2)C(=O)NC2CCN(C)CC2)cc1
CN1CCC(CC1)NC(=O)N(Cc1ccn(C)n1)Cc1ccc(OC(F)(F)F)cc1
CC(C)COc1ccc(CN(Cc2cnn(C)n2)C(=O)OC2CCN(C)CC2)cc1
CCCCOc1ccc(CN(Cc2coc(C)n2)C(=O)NC2CCN(C)CC2)cc1
CC(C)COc1ccc(CN(Cc2cnn(C)n2)C(=O)NC2CCN(C)CC2)cc1
CCCCOc1ccc(CN(Cc2cnn(C)n2)C(=O)NC2CCN(C)CC2)c(F)c1
CC(C)COc1ccc(CN(Cc2cnn(C)n2)C(=O)N[C@H]2CCN(C)CC22CC2)cc1 |r|
CN1CCC(CC1)NC(=O)N(Cc1coc(C)n1)Cc1ccc(CCC(F)(F)F)cc1F
CCCc1ccc(CN(Cc2coc(C)n2)C(=O)NC2CCN(C)CC2)cc1F
CCCCOc1ccc(CN(Cc2coc(n2)C(F)F)C(=O)NC2CCN(C)CC2)cc1
CCCCOc1ccc(CN(Cc2coc(n2)C2CC2)C(=O)NC2CCN(C)CC2)cc1
CC(C)COc1ccc(CN(Cc2coc(C)n2)C(=O)NC2CCN(C)CC2)c(F)c1
CC(C)COc1ccc(CN(Cc2cnn(C)n2)C(=O)NC2CCN(C)CC2)c(F)c1
CN1CCC(CC1)NC(=O)N(Cc1cnn(C)n1)Cc1ccc(OCC(F)(F)C(F)(F)F)cc1F
CCCCOc1ccc(CN(Cc2coc(C)n2)C(=O)CC2CCN(C)CC2)cc1F
CCCCOc1ccc(CN(Cc2coc(C)n2)C(=O)CN2CCN(C)CC2)cc1F
CC(C)COc1ccc(CN(Cc2ccn(C)n2)C(=O)N[C@H]2CCNC[C@H]2F)cc1 |r|
CC(C)COc1ccc(CN(Cc2ccsc2)C(=O)NC2CCN(C)CC2)cc1
CC(C)COc1ccc(CN(Cc2cc(C)n(C)n2)C(=O)NC2CCN(C)CC2)cc1
CC(C)COc1ccc(CN(Cc2ccccn2)C(=O)NC2CCN(C)CC2)cc1
CC(C)COc1ccc(CN(Cc2ccc(C)s2)C(=O)NC2CCN(C)CC2)cc1
CC(C)COc1ccc(CN(Cc2cccn2C)C(=O)NC2CCN(C)CC2)cc1
COc1ccc(CN(Cc2ccn(C)n2)C(=O)NC2CCN(C)CC2)cc1C
CN1CCC(CC1)NC(=O)N(Cc1ccn(C)n1)Cc1ccc(OCCO)cc1
COc1ccc(CN(Cc2ccn(C)n2)C(=O)NC2CCN(C)CC2)c(F)c1
COc1ccc(CN(Cc2ccn(C)n2)C(=O)NC2CCN(C)CC2)cc1F
CC(C)COc1ccc(CN(Cc2ccc(F)cn2)C(=O)NC2CCN(C)CC2)cc1
CC(C)COc1ccc(CN(Cc2ccc(F)cn2)C(=O)NC2CCNCC2)cc1
CC(C)COc1ccc(CN(Cc2ccn(C)n2)C(=O)N[C@@H]2CCNC[C@H]2F)cc1 |r|
CC(C)COc1ccc(CN(Cc2ccncn2)C(=O)NC2CCN(C)CC2)cc1
CC(C)COc1ccc(CN(Cc2cnccn2)C(=O)NC2CCN(C)CC2)cc1
CCCOc1ccc(CN(Cc2ccc(F)cn2)C(=O)NC2CCN(C)CC2)cc1
CC(C)COc1ccc(CN(Cc2ccc(F)cn2)C(=O)N[C@@H]2CCNC[C@@H]2F)cc1 |r|
CC(C)COc1ccc(CN(Cc2ncccc2C)C(=O)NC2CCN(C)CC2)cc1
CC(C)COc1ccc(CN(Cc2ccco2)C(=O)NC2CCN(C)CC2)cc1
CC(C)COc1ccc(CN(Cc2nccs2)C(=O)NC2CCN(C)CC2)cc1
CN1CCC(CC1)NC(=O)N(Cc1ccn(C)n1)Cc1ccc2OCOc2c1
CC(C)COc1ccc(CN(Cc2ccn(C)n2)C(=O)N[C@@H]2CCNCC2(F)F)cc1 |r|
CC(C)COc1ccc(CN(Cc2ccn(C)n2)C(=O)N[C@H]2CCNCC22CC2)cc1 |r|
CC(C)COc1ccc(CN(Cc2ccc(cn2)C#N)C(=O)NC2CCN(C)CC2)cc1
CC(C)COc1ccc(CN(Cc2cccs2)C(=O)NC2CCN(C)CC2)cc1
CC(C)COc1ccc(CN(Cc2cocn2)C(=O)NC2CCN(C)CC2)cc1
CC(C)COc1ccc(CN(Cc2ccn(C)n2)C(=O)CN2CCN(C)CC2)cc1
CN1CCC(CC1)NC(=O)N(Cc1ccn(C)n1)Cc1ccc(C)cc1
CC(C)COc1ccc(CN(Cc2cc(C)on2)C(=O)NC2CCN(C)CC2)cc1
CC(C)COc1ccc(CN(Cc2ccn(C)c2)C(=O)NC2CCN(C)CC2)cc1
CC(C)COc1ccc(CN(Cc2nn(C)cc2Cl)C(=O)NC2CCN(C)CC2)cc1
COc1ccc(CN(Cc2ccc(F)cn2)C(=O)NC2CCN(C)CC2)cc1
CC(C)COc1ccc(CN(Cc2ccc(F)cn2)C(=O)NC2CCN(C)CC22CC2)cc1
CC(C)COc1ccc(CN(Cc2ccn(C)n2)C(=O)NC2CCN(C)CC22CC2)cc1
CC(C)Oc1ccc(CN(Cc2ccn(C)n2)C(=O)NC2CCN(C)CC2)cc1
CC(C)COc1ccc(CN(Cc2ccn(C)n2)C(=O)N[C@H]2CCN(C)C[C@H]2F)cc1 |r|
CC(C)COc1ccc(CN(Cc2ccc(F)cn2)C(=O)N[C@H]2CCN(C)C[C@H]2F)cc1 |r|
COc1ccc(CN(Cc2ccn(C)n2)C(=O)NC2CCN(C)CC2)nc1
CC(C)COc1ccc(CN(Cc2ccn(C)n2)C(=O)N[C@@H]2[C@H]3CN(C)C[C@@H]23)cc1 |r|
CC(C)COc1ccc(CN(Cc2ccn(C)n2)C(=O)NCC2CN(C)C2)cc1
CC(C)COc1ccc(CN(Cc2cnn(C)c2)C(=O)NC2CCN(C)CC2)cc1
CC(C)COc1ccc(CN(Cc2ccn(C)n2)C(=O)NC2CC3CC2CN3C)cc1
COCCN1CCC(CC1)NC(=O)N(Cc1ccn(C)n1)Cc1ccc(OCC(C)C)cc1
CC(C)COc1ccc(CN(Cc2ccn(C)n2)C(=O)N[C@H]2CCN(C)C[C@@H]2C)cc1 |r|
CC(C)COc1ccc(CN(Cc2ccn(C)n2)C(=O)N[C@@H]2CCN(C)C[C@H]2C)cc1 |r|
CC(C)COc1ccc(CN(Cc2ccn(C)n2)C(=O)NC2(C)CCN(C)CC2)cc1
CC(C)COc1ccc(CN(Cc2ccn(C)n2)C(=O)NC2CCN(C)C3(CCC3)C2)cc1
CC(C)COc1ccc(CN(Cc2ccn(C)n2)C(=O)NC23CCN(CC2)CC3)cc1
CCN1CCC(CC1)NC(=O)N(Cc1ccn(C)n1)Cc1ccc(OCC(C)C)cc1
CC(C)COc1ccc(CN(Cc2ccn(C)n2)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C)cc1 |r|
CC(C)COc1ccc(CN(Cc2ccn(C)n2)C(=O)NC2C3CCC2CN(C)C3)cc1
CC(C)COc1ccc(CN(Cc2ccn(C)n2)C(=O)NC2CCN(CC3CCC3)CC2)cc1
CC(C)COc1ccc(CN(Cc2coc(C)n2)C(=O)NC2CCN(C)CC2)cc1
CC(C)COc1ccc(CN(Cc2coc(C)n2)C(=O)N[C@H]2CCN(C)C[C@H]2F)cc1 |r|
CC(C)COc1ccc(CN(Cc2ccn(C)n2)C(=O)NC2CCNCC2)cc1
CC(C)COc1ccc(CN(Cc2coc(C)n2)C(=O)N[C@H]2CCNC[C@H]2F)cc1 |r|
CC(C)COc1ccc(CN(Cc2coc(C)n2)C(=O)OC2CCN(C)CC2)cc1
CC(C)COc1ccc(CN(Cc2ccn(C)n2)C(=O)OC2CCN(C)CC2)cc1
CC(C)COc1ccc(CN(Cc2ccc(C)[nH]2)C(=O)OC2CCN(C)CC2)cc1
CCCCOc1ccc(CN(Cc2coc(C)n2)C(=O)NC2CCN(C)CC2)cc1F
CN1CCC(CC1)NC(=O)N(Cc1coc(C)n1)Cc1ccc(OCC(F)(F)C(F)(F)F)cc1
CCCCOc1ccc(CN(Cc2coc(C)n2)C(=O)N[C@H]2CCN(C)CC22CC2)cc1 |r|
CCCCOc1ccc(CN(Cc2coc(C)n2)C(=O)N[C@H]2CCN(C)CC22CC2)cc1F |r|
CCCCOc1ccc(CN(Cc2coc(C)n2)C(=O)N[C@H]2CCN(C)CC22CC2)c(F)c1 |r|
CC(C)COc1ccc(CN(Cc2ccn(C)c2)C(=O)OC2CCN(C)CC2)cc1
CC(C)COc1ccc(CN(Cc2ccc(F)cn2)C(=O)OC2CCN(C)CC2)cc1
COc1ccc(CN(Cc2ccn(C)c2)C(=O)OC2CCN(C)CC2)cc1
COc1ccc(CN(Cc2coc(C)n2)C(=O)OC2CCN(C)CC2)cc1
CCCCOc1ccc(CN(Cc2cnn(C)n2)C(=O)N[C@H]2CCN(C)CC22CC2)cc1F |r|
CCCCOc1ccc(CN(Cc2cnn(C)n2)C(=O)N[C@H]2CCN(C)CC22CC2)c(F)c1 |r|
CCCCOc1ccc(CN(Cc2cnn(C)n2)C(=O)N[C@H]2CCN(C)CC22CC2)cc1 |r|
CCCCOc1ccc(CN(Cc2coc(C)n2)C(=O)CC2CCN(C)CC2)cc1
CCCCOc1ccc(CN(Cc2cnn(C)n2)C(=O)NC2CCN(C)CC2)cc1F
CN1CCC(CC1)NC(=O)N(Cc1coc(C)n1)Cc1ccc(CCC(F)(F)F)cc1
CCCCOc1ccc(CN(Cc2coc(C)n2)C(=O)CN2CCN(C)CC2)cc1
CCCc1ccc(CN(Cc2coc(C)n2)C(=O)NC2CCN(C)CC2)cc1
CN1CCC(CC1)NC(=O)N(Cc1coc(n1)C1CC1)Cc1ccc(OCC(F)(F)F)cc1
CN1CCC(CC1)NC(=O)N(Cc1coc(n1)C1CC1)Cc1ccc(OCC(F)(F)F)cc1F
CCCCOc1ccc(CN(Cc2coc(C)n2)C(=O)NC2CCN(C)CC2)c(F)c1
CCCc1ccc(CN(Cc2coc(C)n2)C(=O)NC2CCN(C)CC2)c(F)c1
CC(C)COc1ccc(CN(Cc2coc(C)n2)C(=O)NC2CCN(C)CC2)cc1F
CC(C)COc1ccc(CN(Cc2cnn(C)n2)C(=O)NC2CCN(C)CC2)cc1F
CCCCOc1ccc(CN(Cc2coc(CF)n2)C(=O)NC2CCN(C)CC2)cc1
CC(C)COc1ccc(CN(Cc2coc(CF)n2)C(=O)NC2CCN(C)CC2)cc1
CN1CCC(CC1)NC(=O)N(Cc1coc(C)n1)Cc1ccc(OCC(F)(F)C(F)(F)F)cc1F
CCCCOc1ccc(CN(Cc2coc(C)n2)C(=O)C(F)C2CCN(C)CC2)cc1F
CCCCOc1ccc(CN(Cc2coc(C)n2)C(=O)C[C@H]2[C@@H]3CNC[C@H]23)cc1F |r|
CCCCOc1ccc(CN(Cc2coc(C)n2)C(=O)CCC2CCNCC2)cc1F
COc1cc2c(CCNC(C)=O)cccc2cc1Cl
COc1cc2c(CCNC(C)=O)cccc2cc1F
CCN(CC)C(=O)N[C@@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C
[2H]C([2H])([2H])N2C[C@@H](NC(=O)N(CC)OC)C=C1c3cccc4[nH]cc(CC12)c34
[2H]C([2H])([2H])N2C[C@H](NC(=O)N(CC)OC)C=C1c3cccc4[nH]cc(CC12)c34
[2H]C([2H])([2H])N2C[C@@H](NC(=O)N(CC)CC)C=C1c3cccc4[nH]cc(CC12)c34
C[C@H](N)Cc1ccc2OCOc2c1 |r|
C[C@@H](N)Cc1ccc2OCOc2c1 |r|
COc1cc(cc(c1OC)OC)CCN
CC(C)N(CCc1c[nH]c2ccccc12)C(C)C
COc1ccc2[nH]cc(CCN(C(C)C)C(C)C)c2c1
COc1cc(CCN)c(OC)cc1Br
CCc1cc(OC)c(CCN)cc1OC
CCSc1cc(OC)c(CCN)cc1OC
NCCc1c2CCOc2c(Br)c2CCOc12
COc1cc(C[C@H](C)N)c(OC)cc1Br |r|
COc1cc(C[C@@H](C)N)c(OC)cc1Br |r|
CCSc1cc(OC)c(CC(C)N)cc1OC
COc1cc(C[C@@H](C)N)c(OC)cc1C
COc1cc(C[C@H](C)N)c(OC)cc1C
CCc1cc(OC)c(CC(C)N)cc1OC
CCc1cc(OC)c(C[C@H](C)N)cc1OC |r|
CCc1cc(OC)c(C[C@@H](C)N)cc1OC
COc1cc(C[C@@H](C)N)c(OC)cc1I
COc1cc(C[C@H](C)N)c(OC)cc1I
COc1ccc2[nH]cc(CCN(C)C(C)C)c2c1
COc1ccc2[nH]c(C)c(CCN(C)C)c2c1
CCCN(CCC)CCc1c[nH]c2ccccc12
CN(C)CCc1c[nH]c2cc(F)ccc12
CN(C)CCc1c[nH]c2c1cccc2
CCOc1cc(OC)c(CC(C)N)cc1OC
CCSc1cc(OC)c(CC(N)CC)cc1OC
CNC(C)Cc1ccc2c(c1)OCO2
CN[C@@H](C)Cc2ccc1OCOc1c2
CCc1cc(OC)c(C[C@@H](C)N)cc1OC
CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1[N@](C2)CCc4c3[nH]c5c4cc(cc5)OC
CN(C)CCc1c[nH]c2c1cc(cc2)OC
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
CCc1[nH]c2ccc(OC)cc2c1CCN(C)C
CC(C)COc1ccc(CC2=NOC3(CCN(C)CC3)N2Cc2ccc(F)cc2)cc1
CC(C)COc1ccc(C[C@H]2C(=O)NC3(CCN(C)CC3)N2Cc2ccc(F)cc2)cc1
CC(C)COc1ccc(CC2=NOC3(CCNCC3)N2Cc2ccc(F)cc2O)cc1
CC(C)COc1ccc(CN=C2NC(=O)CC3(CCN(C)CC3)N2Cc2ccc(F)cc2)cc1
Cc1nc(CN(Cc2ccc(OCC(C)C)cc2)C2=NOC3(CCN(C)CC3)N2)co1
CCCOc1ccc(CC2=NOC3(CCN(C)CC34CC4)N2Cc2ccn(C)n2)cc1
CC(C)COc1ccc(CN(Cc2ccn(C)n2)C2=NC(=O)C3(CCN(C)CC3)N2)cc1
CC(C)COc1ccc(CN(Cc2coc(C3CC3)n2)C2=NOC3(CCN(C)CC3)N2)cc1
Cc1nc(CN(Cc2ccc(OCC(C)C)cc2)C2=NC(=O)C3(CCN(C)CC3)N2)cs1
CC(C)COc1ccc(CN(Cc2coc(CF)n2)C2=NOC3(CCN(C)CC3)N2)cc1
CCCCOc1ccc(CN(Cc2coc(C)n2)C2=NOC3(CCN(C)CC3)N2)cc1
CCCc1ccc(CN(Cc2coc(C)n2)C2=NOC3(CCN(C)CC3)N2)cc1
Cc1nc(CN(Cc2nc3cc(Cl)ccc3o2)C2=NOC3(CCN(C)CC3)N2)co1
Cc1nc(CN(Cc2cc3ccccc3o2)C2=NOC3(CCN(C)CC3)N2)co1
Cc1nc(CN(Cc2ccc(OCC(F)(F)C(F)(F)F)cc2F)C2=NOC3(CCN(C)CC3)N2)co1
CCCCOc1ccc(CN(Cc2coc(CF)n2)C2=NOC3(CCN(C)CC3)N2)cc1
CCCCOc1ccc(CN(Cc2cnn(C)n2)C2=NOC3(CCN(C)CC3)N2)cc1
CCCCOc1ccc(CN(Cc2coc(C)n2)C2=NOC3(CCN(C)CC3)N2)c(F)c1
CCCCOc1ccc(CN(Cc2coc(C)n2)C2=NOC3(CCN(C)CC3)N2)cc1F
Cc1nc(CN(Cc2ccc(CCC(F)(F)F)cc2)C2=NOC3(CCN(C)CC3)N2)co1
Cc1nc(CN(Cc2ccc(OCC(C)C)cc2F)C2=NOC3(CCN(C)CC3)N2)co1
Cc1nc(CN(Cc2ccc(OCC(C)C)c(F)c2)C2=NOC3(CCNCC3)N2)co1
CC(C)COc1ccc(CC2=NOC3(CCN(C)CC3)N2Cc2ccc(F)cc2O)cc1
CC(C)COc1ccc(CN(Cc2ccc(F)cn2)C2=NOC3(CCN(C)CC3)N2)cc1
CC(C)COc1ccc(CCC2=NOC3(CCN(C)CC3)N2Cc2ccc(F)cc2)cc1
CC(C)COc1ccc(CN(Cc2ccn(C)n2)C2=NOC3(CCN(C)CC3)N2)cc1
CN1CCC2(CC1)NC(N(Cc1ccc(OCC(F)(F)C(F)F)cc1)Cc1ccn(C)n1)=NO2
CC(C)COc1ccc(CN(Cc2ccccn2)C2=NOC3(CCN(C)CC3)N2)cc1
Cc1cccc(CN(Cc2ccc(OCC(C)C)cc2)C2=NOC3(CCN(C)CC3)N2)n1
CCCOc1ccc(CN(Cc2ccn(C)n2)C2=NOC3(CCN(C)CC3)N2)cc1
CC(C)COc1ccc(CN(Cc2ccn(C(F)F)n2)C2=NOC3(CCN(C)CC3)N2)cc1
Cc1ccc(CN(Cc2ccc(OCC(C)C)cc2)C2=NOC3(CCN(C)CC3)N2)nc1
Cc1nc(CN(Cc2ccc(OCC(C)C)cc2)C2=NOC3(CCN(C)CC3)N2)cs1
Cc1nc(CN(Cc2ccc(OCC(C)C)cc2)C2=NOC3(CCN(C)CC3)N2)no1
CC(C)COc1ccc(CN(Cc2cn(C)cn2)C2=NOC3(CCN(C)CC3)N2)cc1
CC(C)COc1ccc(CN(Cc2ccc(F)cc2)C2=NC3(CCN(C)CC3)CO2)cc1
CC(C)COc1ccc(CN(Cc2ccc(F)cc2)C2=NC(=O)C3(CCN(C)CC3)N2)cc1
CC(C)COc1ccc(CN(Cc2ccc(F)cc2)C2=NC(=O)C3(CCNCC3)N2)cc1
CC(C)CNc1ccc(CN(Cc2ccn(C)n2)C2=NOC3(CCN(C)CC3)N2)cc1
CCCOc1ccc(CC2=NOC3(CCN(C)CC3)N2Cc2ccc(F)cn2)cc1
CCCOc1ccc(CC2=NOC3(CCN(C)CC3)N2Cc2ccn(C)n2)cc1
CCCOc1ccc(CC2=NOC3(CCN(C)CC34CC4)N2Cc2ccc(F)cn2)cc1
CCCOc1ccc(CN(Cc2coc(C)n2)C2=NOC3(CCN(C)CC3)N2)cc1
CCCOc1ccc(CC2=NOC3(CCN(C)CC34CC4)N2Cc2cc(C)n(C)n2)cc1
CC(C)COc1ccc(CN(Cc2ccc(F)cn2)C2=NC(=O)C3(CCN(C)CC3)N2)cc1
CC(C)COc1ccc(CN(Cc2cocn2)C2=NOC3(CCN(C)CC3)N2)cc1
Cc1cnc(CN(Cc2ccc(OCC(C)C)cc2)C2=NOC3(CCN(C)CC3)N2)o1
COc1ccc(CC2=NOC3(CCN(C)CC34CC4)N2Cc2cc(C)n(C)n2)cc1
Cc1cc(CN2C(Cc3ccc(OC(F)F)cc3)=NOC23CCN(C)CC32CC2)nn1C
CC(C)COc1ccc(CN(Cc2ccn(C)n2)C2=NOC3(CCNCC3)N2)cc1
CCCOc1ccc(CC2=NOC3(CCNCC34CC4)N2Cc2ccn(C)n2)cc1
Cn1ccc(CN2C(Cc3ccc(OC4CC4)cc3)=NOC23CCNCC32CC2)n1
Cc1nc(CN(Cc2ccc(OCC(C)C)cc2)C2=NC(=O)C3(CCN(C)CC3)N2)co1
CCCOc1ccc(CNC2=NOC3(CCN(C)CC34CC4)N2Cc2ccn(C)n2)cc1
CN1CCC2(ON=C(Cc3ccc(OC4CC4)cc3)N2Cc2ccn(C)n2)C2(CC2)C1
CC(C)COc1ccc(CN(Cc2ccc(F)cn2)C2=NC(=O)C3(CCN(C)CC34CC4)N2)cc1
CC(C)COc1ccc(CN(Cc2ccn(C)n2)C2=NC(=O)C3(CCN(C)CC34CC4)N2)cc1
CCCOc1ccc(CC2=NOC3(CCN(C)CC34CC4)N2Cc2ccn(C)n2)cc1
CCCOc1ccc(CC2=NOC3(CCN(C)CC34CC4)N2Cc2ccn(C)n2)cc1
CC(C)COc1ccc(CN(Cc2cnn(C)c2)C2=NOC3(CCN(C)CC3)N2)cc1
Cc1nc(CN(Cc2ccc(OCC(F)(F)F)cc2)C2=NOC3(CCN(C)CC3)N2)co1
Cc1nc(CN(Cc2ccc(OCC(C)C)cc2)C2=NOC3(CCNCC3)N2)co1
CC(C)COc1ccc(CN(Cc2coc(C(F)F)n2)C2=NOC3(CCN(C)CC3)N2)cc1
Cc1nc(CN(Cc2ccc(OCC(C)C)cc2)C2=NC3(CCNCC3)ON2C)co1
Cc1nc(CN(Cc2ccc(OCC(C)C)cc2)C2=NC3(CCN(C)CC3)ON2C)co1
Cc1ncc(CN(Cc2ccc(OCC(C)C)cc2)C2=NOC3(CCN(C)CC3)N2)o1
Cc1coc(CN(Cc2ccc(OCC(C)C)cc2)C2=NOC3(CCN(C)CC3)N2)n1
CC(C)COc1ccc(CN(Cc2ccc(F)cc2)C2=NOC3(CCN(C)CC3)N2)cc1
Cc1cc(CN(Cc2ccc(OCC(C)C)cc2)C2=NC(=O)C3(CCN(C)CC3)N2)nn1C
CC(C)COc1ccc(CN(Cc2ccc(F)cc2)C2=NOC3(CCN(C)CC3)N2)cc1
Cc1cnc(CN(Cc2ccc(OCC(C)C)cc2)C2=NC(=O)C3(CCN(C)CC3)N2)nc1
Cc1ccc(CN(Cc2ccc(OCC(C)C)cc2)C2=NC(=O)C3(CCN(C)CC3)N2)nc1
CC(C)COc1ccc(CN(Cc2ccco2)C2=NC(=O)C3(CCN(C)CC3)N2)cc1
Cc1nc(CN(Cc2ccc(OCC(F)(F)C(F)F)cc2)C2=NOC3(CCN(C)CC3)N2)co1
Cc1nc(CN(Cc2ccc(OCC(C)(F)F)cc2)C2=NOC3(CCN(C)CC3)N2)co1
Cc1nc(CN(Cc2ccc(OCC(F)F)cc2)C2=NOC3(CCN(C)CC3)N2)co1
CCc1nc(CN(Cc2ccc(OCC(C)C)cc2)C2=NOC3(CCN(C)CC3)N2)co1
Cc1nc(CN(Cc2cccs2)C2=NOC3(CCN(C)CC3)N2)co1
Cc1cc(CN(Cc2ccc(OCC(C)C)cc2)C2=NOC3(CCN(C)CC3)N2)co1
COc1ccc(CN(Cc2coc(C)n2)C2=NOC3(CCN(C)CC3)N2)cc1
CC(C)COc1ccc(CN(Cc2cnn(C)n2)C2=NOC3(CCN(C)CC3)N2)cc1
Cc1nc(CN(Cc2ccsc2)C2=NOC3(CCN(C)CC3)N2)co1
CC(C)COc1ccc(CN(C2=NOC3(CCN(C)CC3)N2)C(C)c2ccc(F)cc2)cc1
Cc1cc(CN(Cc2ccc(OCC(C)C)cc2)C2=NOC3(CCN(C)CC3)N2)no1
Cc1cc(CN(Cc2ccc(OCC(C)C)cc2)C2=NOC3(CCN(C)CC3)N2)on1
CCCCc1ccc(CN(Cc2coc(C)n2)C2=NOC3(CCN(C)CC3)N2)cc1
Cc1ccc(CN(Cc2ccc(OCC(C)C)cc2)C2=NOC3(CCNCC3)N2)cn1
Cc1nc(CN(Cc2ccc(OCC3CC3)cc2)C2=NOC3(CCN(C)CC3)N2)co1
Cc1ccc(CN(Cc2ccc(OCC(C)C)cc2)C2=NOC3(CCN(C)CC3)N2)cn1
Cc1nc(CN(Cc2ccc(OCC(F)(F)C(F)(F)F)cc2)C2=NOC3(CCN(C)CC3)N2)co1
Cc1nc(CN(Cc2ccc(OCC3CCC3)cc2)C2=NOC3(CCN(C)CC3)N2)co1
Cc1nc(CN(Cc2ccc(OCC3CC(F)(F)C3)cc2)C2=NOC3(CCN(C)CC3)N2)co1
Cc1nc(CN(Cc2ccc(OCC(C)C)cc2)C2=NO[C@@]3(CCNC[C@H]3F)N2)co1
CN1CCC2(CC1)NC(N(Cc1ccc(OCC(F)(F)F)cc1)Cc1coc(C3CC3)n1)=NO2
COc1ccc2oc(CN(Cc3coc(C)n3)C3=NOC4(CCN(C)CC4)N3)nc2c1
CC1NC(CN(Cc2nc3cc(Br)ccc3o2)C2=NOC3(CCN(C)CC3)N2)=CO1
Cc1nc(CN(Cc2cn3ccccc3n2)C2=NOC3(CCN(C)CC3)N2)co1
CCCCOc1ccc(CN(Cc2coc(C)n2)C2=NOC3(CCN(C)CC3)N2)c(Br)c1
Cc1nc(CN(Cc2ccc3c(c2)nnn3C)C2=NOC3(CCN(C)CC3)N2)co1
Cc1nc(CN(Cc2nc3ccccc3o2)C2=NOC3(CCN(C)CC3)N2)co1
Cc1nc(CN(Cc2cnc3ccccc3c2)C2=NOC3(CCN(C)CC3)N2)co1
Cc1nc(CN(Cc2ccc3ncccc3c2)C2=NOC3(CCN(C)CC3)N2)co1
Cc1nc(CN(Cc2ccc3ccccc3c2)C2=NOC3(CCN(C)CC3)N2)co1
Cc1nc(CN(Cc2nc3ccccc3s2)C2=NOC3(CCN(C)CC3)N2)co1
CC(C)COc1ccc(CN(Cc2ccn(C3CC3)n2)C2=NOC3(CCN(C)CC3)N2)cc1
Cc1ccc2cc(CN(Cc3coc(C)n3)C3=NOC4(CCN(C)CC4)N3)sc2c1
Cc1nc(CN(Cc2cc3ccc(Br)cc3s2)C2=NOC3(CCN(C)CC3)N2)co1
CN1CCC2(CC1)NC(N(Cc1cnn(C)n1)Cc1ccc(OCC(F)(F)C(F)(F)F)cc1F)=NO2
CC(C)COc1ccc(CN(Cc2cnn(C)n2)C2=NOC3(CCN(C)CC3)N2)c(F)c1
CC(C)COc1ccc(CN(Cc2cnn(C)n2)C2=NOC3(CCN(C)CC3)N2)cc1F
CN1CCC2(CC1)NC(N(Cc1coc(C3CC3)n1)Cc1ccc(OCC(F)(F)F)cc1F)=NO2
CCCc1ccc(CN(Cc2coc(C)n2)C2=NOC3(CCN(C)CC3)N2)c(F)c1
CCCc1ccc(CN(Cc2coc(C)n2)C2=NOC3(CCN(C)CC3)N2)cc1F
CCCCOc1ccc(CN(Cc2cnn(C)n2)C2=NOC3(CCN(C)CC3)N2)cc1F
CCCCOc1ccc(CN(Cc2cnn(C)n2)C2=NOC3(CCN(C)CC3)N2)c(F)c1
CN1CCC2(CC1)NC(N(Cc1ccc(OCC(F)(F)F)c(F)c1)Cc1coc(C3CC3)n1)=NO2
Cc1nc(CN(Cc2ccc(OCC(C)C)cc2)C2=NOC3(CCN(C)CC3)N2)c(C)o1
CC(C)COc1ccc(CN(Cc2coc(-c3ccccc3)n2)C2=NOC3(CCN(C)CC3)N2)cc1
Cc1nc(CN(Cc2ccc(Cc3ccccc3)cc2)C2=NOC3(CCN(C)CC3)N2)co1
COc1ccc(CN(Cc2coc(C)n2)C2=NOC3(CCN(C)CC3)N2)cn1
COc1ccc(CN(Cc2coc(C)n2)C2=NOC3(CCN(C)CC3)N2)nc1
Cc1nc(CN(Cc2csc3ccccc23)C2=NOC3(CCN(C)CC3)N2)co1
Cc1nc(CN(Cc2cc3ccccc3s2)C2=NOC3(CCN(C)CC3)N2)co1
CCOCc1ccc(CN(Cc2coc(C)n2)C2=NOC3(CCN(C)CC3)N2)cc1
CCCOc1ccc(CN(Cc2coc(C)n2)C2=NOC3(CCN(C)CC3)N2)c(Cl)c1
Cc1nc(CN(Cc2ccc(OCC(C)C)c(F)c2)C2=NOC3(CCN(C)CC3)N2)co1
CCCOc1ccc(CN(Cc2coc(C)n2)C2=NOC3(CCNCC3)N2)c(Cl)c1
Cc1nc(CN(Cc2ccc(OCC(C)C)cc2F)C2=NOC3(CCNCC3)N2)co1
CN1CCC2(CC1)NC(N(Cc1ccc(OCC(F)(F)F)cc1)Cc1coc(CF)n1)=NO2
CCCCc1ccc(CN(Cc2cnn(C)n2)C2=NOC3(CCN(C)CC3)N2)cc1
CCCCOc1ccc(CN(Cc2coc(C)n2)C2=NOC3(CCNCC3)N2)cc1
COc1cc(c(OC)cc1CCN)C(F)(F)F
[2H]C([2H])(N)Cc1cc(OC)c(C(F)(F)F)cc1OC
COc1cc(SC(F)(F)F)c(OC)cc1CCN
COc1cc(SC(F)(F)F)c(OC)cc1CCNCC1CC1
Cc1ncnc(C)c1-c1cc(NC(=O)c2cccn2C)ccc1OCCN1CCCC1
Cc1ncnc(C)c1-c1cc(NC(=O)c2ccnn2C)ccc1OCCN1CCCC1
Cc1ncnc(C)c1-c1cc(NC(=O)c2cc(F)ccn2)ccc1OCCN1CCCC1
Cc1ncsc1C(=O)Nc1ccc(OCCN2CCCC2)c(-c2c(C)ncnc2C)c1
Cc1ncoc1C(=O)Nc1ccc(OCCN2CCCC2)c(-c2c(C)ncnc2C)c1
Cc1ncnc(C)c1-c1cc(NC(=O)c2cnsc2C)ccc1OCCN1CCCC1
Cc1ncnc(C)c1-c1cc(NC(=O)C2C3COCC32)ccc1OCCN1CCCC1
Cc1ncnc(C)c1-c1cc(NC(=O)C2(F)CC2)ccc1OCCN1CCCC1
Cc1ncnc(C)c1-c1cc(NC(=O)Cn2cccc2)ccc1OCCN1CCCC1
COC4(C(=O)Nc3ccc(OCCN1CCCC1)c(c2c(C)ncnc2C)c3)CC4
Cc1ncnc(C)c1-c1cc(NC(=O)C2CC2)ccc1OCCN1CCCC1
Cc1ncnc(C)c1-c1cc(NC(=O)Cc2cncs2)ccc1OCCN1CCCC1
Cc1ncsc1CC(=O)Nc1ccc(OCCN2CCCC2)c(-c2c(C)ncnc2C)c1
Cc1ncnc(C)c1-c1cc(NC(=O)CCc2nccs2)ccc1OCCN1CCCC1
Cc1ncnc(C)c1-c1cc(NC(=O)CCc2cncs2)ccc1OCCN1CCCC1
Cc1ncnc(C)c1-c1cc(NC(=O)Cc2ccno2)ccc1OCCN1CCCC1
Cc1ncc(CC(=O)Nc2ccc(OCCN3CCCC3)c(-c3c(C)ncnc3C)c2)s1
Cc1ncnc(C)c1-c1cc(NC(=O)Cc2ccn(C)c2)ccc1OCCN1CCCC1
Cc1ncnc(C)c1-c1cc(NC(=O)c2ccccc2)ccc1OCCN1CCCC1
Cc1ncnc(C)c1-c1cc(NC(=O)c2ccc(F)cc2)ccc1OCCN1CCCC1
COc4cccc(C(=O)Nc3ccc(OCCN1CCCC1)c(c2c(C)ncnc2C)c3)c4
Cc1ncnc(C)c1-c1cc(NC(=O)Cc2cccc(F)c2)ccc1OCCN1CCCC1
COc4ccc(CC(=O)Nc3ccc(OCCN1CCCC1)c(c2c(C)ncnc2C)c3)cc4
Cc1ncnc(C)c1-c1cc(NC(=O)c2c(F)cnn2C)ccc1OCCN1CCCC1
CCOC1CC1C(=O)Nc1ccc(OCCN2CCCC2)c(-c2c(C)ncnc2C)c1
Cc1ncnc(C)c1-c1cc(NC(=O)C2(CF)CC2)ccc1OCCN1CCCC1
Cc1ncnc(C)c1-c1cc(NC(=O)c2ccnn2C)ccc1OCCN1CCC1
Cc1ncnc(C)c1-c1cc(NC(=O)C2(F)CC2)ccc1OCCN1CCC1
Cc1ncsc1C(=O)Nc1ccc(OCCN2CCC2)c(-c2c(C)ncnc2C)c1
Cc1ncoc1CC(=O)Nc1ccc(OCCN2CCC2)c(-c2c(C)ncnc2C)c1
Cc1ncnc(C)c1-c1cc(NC(=O)c2ccccc2)ccc1OCCN1CCC1
Cc1ncnc(C)c1-c1cc(NC(=O)c2ccc(F)cc2)ccc1OCCN1CCC1
COc4cccc(C(=O)Nc3ccc(OCCN1CCC1)c(c2c(C)ncnc2C)c3)c4
Cc1ncnc(C)c1-c1cc(NC(=O)Cc2cccc(F)c2)ccc1OCCN1CCC1
Cc1ncnc(C)c1-c1cc(NC(=O)Cc2cncc(F)c2)ccc1OCCN1CCC1
Cc1ncnc(C)c1-c1cc(NC(=O)c2c(F)cnn2C)ccc1OCCN1CCC1
COc4ccc(C(=O)Nc3ccc(OCCN1CCC1)c(c2c(C)ncnc2C)c3)cc4
Cc1ncnc(C)c1-c1cc(NC(=O)c2ccccc2F)ccc1OCCN1CCC1
Cc1ccccc1C(=O)Nc1ccc(OCCN2CCC2)c(-c2c(C)ncnc2C)c1
N#Cc1cccc(C(=O)Nc2ccc(OCCN3CCC3)c(-c3c(C)ncnc3C)c2)c1
Cc1ncnc(C)c1-c1cc(NC(=O)C2CC2)ccc1OCCN1CCC1
COC1CCN(CCOc2ccc(NC(=O)C3CC3)cc2-c2c(C)ncnc2C)CC1
CO[C@@H]4CCN(CCOc2ccc(NC(=O)C1CC1)cc2c3c(C)ncnc3C)C4
COCCNCCOc2ccc(NC(=O)C1CC1)cc2c3c(C)ncnc3C
Cc1ncnc(C)c1-c1cc(NC(=O)C2CC2)ccc1OC1CNC1
Cc1ncnc(C)c1-c1cc(NC(=O)C2(F)CC2)ccc1OC1CNC1
Cc1ncnc(C)c1-c1cc(NC(=O)c2ccccc2)ccc1OC1CNC1
Cc1ncnc(C)c1-c1cc(NC(=O)[C@@H]2C[C@H]2F)ccc1O[C@@H]1CCCNC1
Cc1ncnc(C)c1-c1cc(NC(=O)c2ncsc2C)ccc1OC[C@H]1CCCCN1
Cc1ncnc(C)c1-c1cc(NC(=O)c2cccn2C)ccc1OC[C@H]1CCCCN1
Cc1ncnc(C)c1-c1cc(NC(=O)C2(F)CC2)ccc1OC[C@H]1CCCCN1
CCC[C@@H](F)C(=O)Nc1ccc(OC[C@H]2CCCCN2)c(-c2c(C)ncnc2C)c1
Cc1ncnc(C)c1-c1cc(NC(=O)C2(F)CCC2)ccc1OC[C@H]1CCCCN1
CCOC1CC1C(=O)Nc1ccc(OC[C@H]2CCCCN2)c(-c2c(C)ncnc2C)c1
COCCNCCOc2ccc(NC(=O)C1(F)CC1)cc2c3c(C)ncnc3C
Cn1cc(CCN)c2c3CCCOc3ccc12
CN(C)CCc1cn(C)c2ccc3OCCCc3c12
CN(C)CCc1c[nH]c2ccc3OCCCc3c12
CN(C)CCc1c[nH]c2cc3CCCOc3cc12
NCCc1c[nH]c2ccc3OCCCc3c12
COc1ccc2[nH]cc(C[C@@H]3CCCN3C)c2c1
COc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
C(Nc1cccnc1)c1cn(Cc2ccccc2)c2ccccc12
NC[C@@H]1OC(Cc2c(O)c(O)ccc12)C1CCCCC1
CC(C)(C)C1Cc2c(O)c(O)ccc2[C@H](CN)O1
NC[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)c1ccccc1
Oc1ccc2[C@H](CNCC=C)OC(Cc2c1O)C1CCCCC1
NC[C@@H]1OC(Cc2c(O)c(O)ccc12)c1ccccc1
NC[C@H]1O[C@H](Cc2c(O)c(O)ccc12)c1ccccc1
COc1ccccc1N1CCN(CCCCNC(=O)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CC1 |TLB:26:25:28:20.21.22,26:21:28:27.25.24|
COc1ccc2c(c1)-c1c(cnn1C[C@H](C)N)C2(C)C |r|
COc1ccc2Cc3cnn(C[C@H](C)N)c3-c2c1 |r|
Cc1ccc(cc1C)N1CCN(Cc2nc3ccccc3[nH]2)CC1
c1cc(cc(c1)Cl)CCNCCc2ccc3ccc(nc3c2)N
Cc1nc2CCCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12
Cc1nc2C(O)CCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12
Cc1nc2n(CCCC2(F)F)c(=O)c1CCN1CCN(CC1)c1cccc2sccc12
Cc1nc2ccccn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12
Cc1nc2C(F)CCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12
Cc1nc2ccc(cc2o1)NC(=O)Nc3ccnc4c3nccc4
CN1CCCC(CC1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CC)CC2)c2ncccc2c1
CC(N)Cc1c[nH]c2ccc(O)cc12
COc1ccc2[nH]c(C)c(CCN)c2c1
FC(F)(F)c1ccc2c(c1)nc(N1CCNCC1)c1cccn21
O=c1ccc2[nH]cc(C3=CCNCC3)c2[nH]1 |t:8|
CN1CCN(CC1)c1ccc2CN(Cc2c1)C(=O)OCc1ccccc1
CC(=C)CN1CCN(CC1)c1ccc2CCN(Cc2c1)C(=O)OCc1ccccc1
O=C(OCc1ccccc1)N1CCc2ccc(cc2C1)N1CCN(CC1)C1CCCC1
COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)CCc2c1
COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)Cc2c1
CCOC(=O)CCN1CCN(CC1)c1ccc2CCN(Cc2c1)C(=O)OCc1ccccc1
O=C(NCCN1CCN(CC1)c1ccccc1)c1ccccn1
Clc1ccc(cc1)N1CCN(CCCNC(=O)c2ccccn2)CC1
Clc1ccc(cc1Cl)N1CCN(CCCNC(=O)c2ccccn2)CC1
Fc1ccccc1N1CCN(CCCNC(=O)c2ccccn2)CC1
Fc1ccc(cc1)N1CCN(CCCNC(=O)c2ccccn2)CC1
O=C(NCCCN1CCN(CC1)c1ccccn1)c1ccccn1
O=C(NCCCN1CCN(CC1)c1ncccn1)c1ccccn1
O=C(NCCCN1CCN(Cc2ccc3OCOc3c2)CC1)c1ccccn1
O=C(NCCCN1CCN(CC1)C(=O)c1ccco1)c1ccccn1
Clc1ccc(cc1)C(N1CCN(CCCNC(=O)c2ccccn2)CC1)c1ccccc1
Fc1ccc(cc1)C(N1CCN(CCCNC(=O)c2ccccn2)CC1)c1ccc(F)cc1
O=C(NCCCN1CCN(CC1)c1cccc2ccccc12)c1ccccn1
COc1ccccc1N1CCN(CCNC(=O)c2ccccn2)CC1
COc1ccc(cc1)N1CCN(CCNC(=O)c2ccccn2)CC1
CCOc1ccccc1N1CCN(CCNC(=O)c2ccccn2)CC1
O=C(NCCN1CCN(CC1)c1ccccc1C#N)c1ccccn1
FC(F)(F)c1cccc(c1)N1CCN(CCNC(=O)c2ccccn2)CC1
Cc1cccc(N2CCN(CCNC(=O)c3ccccn3)CC2)c1C
Clc1ccccc1N1CCN(CCNC(=O)c2ccccn2)CC1
Clc1cccc(c1)N1CCN(CCNC(=O)c2ccccn2)CC1
Clc1ccc(cc1)N1CCN(CCNC(=O)c2ccncc2)CC1
Clc1ccc(cc1Cl)N1CCN(CCNC(=O)c2ccccn2)CC1
Fc1ccccc1N1CCN(CCNC(=O)c2ccccn2)CC1
Fc1ccc(cc1)N1CCN(CCNC(=O)c2ccccn2)CC1
O=C(NCCN1CCN(CC1)c1ccccn1)c1ccccn1
O=C(NCCN1CCN(CC1)c1ncccn1)c1ccccn1
O=C(NCCN1CCN(CC1)C(=O)c1ccco1)c1ccccn1
Clc1ccc(cc1)C(N1CCN(CCNC(=O)c2ccccn2)CC1)c1ccccc1
Fc1ccc(cc1)C(N1CCN(CCNC(=O)c2ccccn2)CC1)c1ccc(F)cc1
O=C(NCCCN1CCN(CC1)c1ccccc1)c1ccccn1
COc1ccccc1N1CCN(CCCNC(=O)c2ccccn2)CC1
CCOc1ccccc1N1CCN(CCCNC(=O)c2ccccn2)CC1
O=C(NCCCN1CCN(CC1)c1ccccc1C#N)c1ccccn1
CC(CNC(=O)c1ccccn1)N1CCN(CC1)c1cccc(c1)C(F)(F)F
Clc1ccccc1N1CCN(CCCNC(=O)c2ccccn2)CC1
Clc1cccc(c1)N1CCN(CCCNC(=O)c2ccccn2)CC1
O=C(NCCN1CCN(Cc2ccc3OCOc3c2)CC1)c1ccccn1
O=C(NCCN1CCN(CC1)c1cccc2ccccc12)c1ccccn1
COc1ccc(cc1)N1CCN(CCCNC(=O)c2ccccn2)CC1
Cc1cccc(N2CCN(CCCNC(=O)c3ccccn3)CC2)c1C
CNC(=O)c1cc(OCCCCN2CCN(CC2)c2nsc3ccccc23)ccn1
CNC(=O)c1cc(OCCCCN2CCC(CC2)c2noc3cc(F)ccc23)ccn1
CNC(=O)c1cc(OCCCCN2CCN(CC2)c2cccc3sccc23)ccn1
CNc1ccccc1C1=N[C@@H](CO)[C@H](C)S1 |r,t:9|
C[C@H]1SC(=N[C@@H]1CO)c1ccccc1O |r,c:3|
COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1N=C(S[C@@H]1C)c1ccccc1O |r,c:16|
C[C@@H]1SC(=N[C@H]1CO)c1ccco1 |r,c:3|
C[C@H]1SC(=N[C@H]1Cc1c[nH]cn1)c1ccc(cc1)-c1ccccc1 |r,c:3|
C[C@@H]1SC(=N[C@H]1Cc1c[nH]cn1)c1ccccc1O |r,c:3|
Oc1ccccc1C1=NC(Cc2c[nH]cn2)C(S1)c1ccccc1 |t:8|
C[C@@H]1SC(=N[C@H]1CO)c1ccccc1 |r,c:3|
C[C@@H]1SC(=N[C@H]1CO)c1cc2ccccc2cc1O |r,c:3|
C[C@@H]1SC(=N[C@H]1CO)c1c[nH]c2ccccc12 |r,c:3|
CCCCOc1ccc(cc1)C1=N[C@@H](CO)[C@H](C)S1 |r,t:12|
CCCCCCOc1ccc(cc1)C1=N[C@@H](CO)[C@H](C)S1 |r,t:14|
C[C@@H]1SC(=N[C@H]1Cc1c[nH]cn1)c1ccccc1 |r,c:3|
C[C@@H]1SC(=N[C@@H]1Cc1c[nH]cn1)c1ccccc1 |r,c:3|
C[C@@H]1SC(=N[C@H]1Cc1c[nH]cn1)c1ccc(cc1)-c1ccccc1 |r,c:3|
C[C@H]1SC(=N[C@H]1CO)c1ccccc1O |r,c:3|
NC(=O)c1csc(n1)-c1ccccc1O
OC[C@@H]1CSC(=N1)c1ccccc1O |r,c:5|
Oc1ccccc1-c1nc(C=O)cs1
C[C@@H]1SC(=N[C@H]1[C@@H]1SC[C@@](C)(N1C)C(O)=O)c1ccccc1O |r,c:3|
C[C@@H]1SC(=N[C@H]1CO)c1ccsc1 |r,c:3|
C[C@@H]1SC(=N[C@@H]1CO)c1ccccc1O |r,c:3|
NC(=O)C1CSC(=N1)c1ccccc1O |c:6|
C[C@@H]1SC(=N[C@H]1[C@H]1SC[C@@](C)(N1C)C(O)=O)c1ccccc1O |r,c:3|
Oc1ccccc1C1=NC(Cc2c[nH]cn2)CS1 |t:8|
COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1N=C(S[C@@H]1C)c1ccccc1O |r,c:16|
[H][C@]12CCC[C@@]1([H])N=C(S2)c1ccccc1O |r,c:8|
C[C@@H]1SC(=N[C@H]1CO)c1cccs1 |r,c:3|
CCCCCCCCOc1ccc(cc1)C1=N[C@@H](CO)[C@H](C)S1 |r,t:16|
C[C@@H]1SC(=N[C@H]1CO)c1ccccc1O |r,c:3|
CN1CCc2c(C1)c1cc(C)ccc1n2CCc1ccccc1
Clc1ccc(cc1)-c1noc2CCNCCc12
Fc1ccc(cc1)-c1n[nH]c2CCNCCc12
Cc1ccc(cc1)-c1n[nH]c2CCNCCc12
Fc1ccc(cc1)-c1noc2CCNCCc12
Clc1ccc(cc1)-c1n[nH]c2CCNCCc12
Cc1ccc(cc1)-c1noc2CCNCCc12
[H][C@]12CCc3ccncc3N1CCNC2 |r|
[H][C@]12CCc3cccnc3N1CCNC2 |r|
[H][C@]12CCc3c(Br)ccnc3N1CCNC2 |r|
COc1ccc2ccc3CCC(CNC(C)=O)c3c2c1
CCCNC(=S)NCC1CCc2ccc3ccc(OC)cc3c12
CNC(=O)NCC1CCc2ccc3ccc(OC)nc3c12
COCC(=O)NCC1CCc2ccc3ccc(OC)cc3c12
COc1ccc2ccc3CCC(CNC(C)=O)c3c2n1
COC(=O)NCC1CCc2ccc3ccc(OC)cc3c12
COc1ccc2ccc3CCC(CNS(C)(=O)=O)c3c2c1
COc1ccc2ccc3CCC(C)(CNS(C)(=O)=O)c3c2c1
CNC(=O)NCC1CCc2ccc3ccc(OC)cc3c12
CCCNC(=O)NCC1CCc2ccc3ccc(OC)cc3c12
CCNC(=O)NCC1(C)CCc2ccc3ccc(OC)cc3c12
CCCNC(=O)NCC1(C)CCc2ccc3ccc(OC)cc3c12
CNC(=S)NCC1CCc2ccc3ccc(OC)cc3c12
CCNC(=S)NCC1CCc2ccc3ccc(OC)cc3c12
CNC(=S)NCC1(C)CCc2ccc3ccc(OC)cc3c12
CCNC(=S)NCC1(C)CCc2ccc3ccc(OC)cc3c12
COc1ccc2ccc3CCC(CCNC(C)=O)c3c2c1
CCCNC(=O)NCC1CCc2ccc3ccc(OC)nc3c12
CCCNC(=S)NCC1(C)CCc2ccc3ccc(OC)cc3c12
COc1ccc2ccc3CCC(C)(CNC(C)=O)c3c2c1
COc1ccc2ccc3CCC(CCNC(C)=O)c3c2n1
CCS(=O)(=O)NCC1CCc2ccc3ccc(OC)cc3c12
CCNC(=O)NCC1CCc2ccc3ccc(OC)cc3c12
COc1ccc2ccc3CCC(CNC(N)=S)c3c2c1
COc1ccc2ccc3CCC(CNC(N)=O)c3c2c1
[H][C@]12C[C@]([H])(C=C1)[C@@]1([H])C(=O)N(CCCCN3CCN(CC3)c3cccc4sccc34)C(=O)[C@@]21[H] |r,c:5|
CCC1(C)CC(=O)N(CCCCN2CCN(CC2)c2cccc3sccc23)C(=O)C1
O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1cccc2sccc12
[H][C@]12CC[C@]([H])(C1)[C@]1([H])C(=O)N(CCCCN3CCN(CC3)c3cccc4sccc34)C(=O)[C@]21[H] |r|
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(CCCCCc2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
OC1(CCN(CCCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
OC1(CCN(CCCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
[#8]C1([#6]-[#6]-[#7](-[#6]-[#6]-[#6]\[#6]=[#6](/c2ccc(F)cc2)-c2ccc(F)cc2)-[#6]-[#6]1)c1ccc(Cl)c(c1)C(F)(F)F
Fc1ccc2c(noc2c1)C1CCN(CCCC(=O)c2cc3CCN4c3c(CCC4=O)c2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCCC(=O)c2cc3CCN4c3c(CCC4=O)c2)CC1
OC(CCCCN1CCC(CC1)c1noc2cc(F)ccc12)c1cc2CCN3c2c(CCC3=O)c1
OC(CCCN1CCC(CC1)c1noc2cc(F)ccc12)c1cc2CCN3c2c(CCC3=O)c1
Fc1ccc2c(noc2c1)C1CCN(CCCCc2cc3CCN4c3c(CCC4=O)c2)CC1
CCOC(=O)c1[nH]c2ccc(CCN3C(=O)CNC3=O)cc2c1CCN(C)C
CC(N)Cn1ccc2cc(Cl)c(F)cc12
CC(N)Cn1ccc2cc(F)ccc12
CC(N)Cn1ccc2c(C)cccc12
C[C@H](N)Cn1ccc2c(Cl)c(F)ccc12 |r|
C[C@H](N)Cn1ccc2cc(F)c(Cl)cc12
C[C@@H](N)Cn1ccc2cc(F)c(F)cc12 |r|
CC(N)Cn1ccc2c(F)cccc12
COc1ccc-2c(Cc3ccn(CC(C)N)c-23)c1
CC(N)Cn1ccc2c1-c1cc(F)ccc1C2(C)C
COc1cccc2Cc3ccn(CC(C)N)c3-c12
CC(N)Cc1c[nH]c2ccc(F)cc12
C[C@H](N)Cn1ccc2cc(F)c(F)cc12
COc1ccc2c(c1)-c1c(ccn1CC(C)N)C2(C)C
CC(N)Cn1ccc2cc(C)ccc12
COc1ccc2Cc3ccn(CC(C)N)c3-c2c1
COc1ccc2Cc3ccn(C[C@H](C)N)c3-c2c1 |r|
CC(N)Cn1ccc2Cc3ccc(F)cc3-c12
C[C@@H](N)Cn1ccc2cc(F)c(Cl)cc12 |r|
CC(N)Cn1ccc2ccc(C)cc12
CC(N)Cn1ccc2ccc(F)cc12
CC(N)Cn1ccc2Cc3ccc(Br)cc3-c12
C[C@@H](N)Cn1ccc2c(Cl)c(F)ccc12 |r|
CC(N)Cn1ccc2Cc3ccc(Cl)cc3-c12
COc1ccc2n(CC(C)N)ccc2c1
CC(N)Cn1ccc2cc(Br)ccc12
CC(N)Cn1ccc2cc(Cl)ccc12
COc1ccc2Cc3ccn(C[C@@H](C)N)c3-c2c1 |r|
CC(N)Cn1ccc2Cc3ccc(C)cc3-c12
COc1cccc-2c1Cc1ccn(CC(C)N)c-21
COc1cccc2n(CC(C)N)ccc12
COc1cc2CCN(C(=O)Nc3cccnc3)c2cc1C(F)(F)F
CSc1c(Cl)cc2N(CCc2c1Cl)C(=O)Nc1cccnc1
COC(=O)c1cc2CCN(C(=O)Nc3cccnc3)c2cc1Cl
Cc1cc2CCN(C(=O)Nc3cccnc3)c2cc1Cl
O=C(Nc1cccnc1)N1CCc2ccccc12
Cc1cc2N(CCc2cc1Cl)C(=O)Nc1cccnc1
CSc1ccc2N(CCc2c1Cl)C(=O)Nc1cccnc1
CC(C)c1cc2CCN(C(=O)Nc3cccnc3)c2cc1Cl
[O-][N+](=O)c1cc(Br)cc2CCN(C(=O)Nc3cccnc3)c12
Clc1ccc2CCN(C(=O)Nc3cccnc3)c2c1Cl
CCOc1cc2CCN(C(=O)Nc3cccnc3)c2cc1C(F)(F)F
Clc1ccc2N(CCc2c1Cl)C(=O)Nc1cccnc1
Clc1cc2CCN(C(=O)Nc3cccnc3)c2cc1Cl
CSc1cc2CCN(C(=O)Nc3cccnc3)c2cc1C(F)(F)C(F)(F)F
Cc1ccc2N(CCc2c1Br)C(=O)Nc1cccnc1
Clc1cc2N(CCc2cc1-c1ccccc1)C(=O)Nc1cccnc1
CC(C)(C)c1ccc2N(CCc2c1Cl)C(=O)Nc1cccnc1
CSc1cc2N(CCc2cc1Br)C(=O)Nc1cccnc1
FC(F)(F)c1cc2N(CCc2cc1Cl)C(=O)Nc1cccnc1
Cc1cc2CCN(C(=O)Nc3cccnc3)c2cc1I
CC(C)c1cc2CCN(C(=O)Nc3cccnc3)c2cc1C(F)(F)F
Clc1ccc2N(CCc2c1)C(=O)Nc1cccnc1
FC(F)(F)c1cc2N(CCc2cc1OCC1CC1)C(=O)Nc1cccnc1
Cc1ccc2N(CCc2c1I)C(=O)Nc1cccnc1
CCCc1cc2CCN(C(=O)Nc3cccnc3)c2cc1Cl
CSc1cc2CCN(C(=O)Nc3cccnc3)c2cc1C#N
FC(F)(F)c1ccc2N(CCc2c1)C(=O)Nc1cccnc1
CCCSc1cc2CCN(C(=O)Nc3cccnc3)c2cc1C(F)(F)F
CC(C)Oc1cc2CCN(C(=O)Nc3cccnc3)c2cc1Cl
[O-][N+](=O)c1ccc2N(CCc2c1)C(=O)Nc1cccnc1
O=C(Nc1cccnc1)N1CCc2cc(ccc12)-c1ccccc1
Clc1cccc2N(CCc12)C(=O)Nc1cccnc1
CC(=O)c1cc2CCN(C(=O)Nc3cccnc3)c2cc1C(F)(F)F
Clc1ccc2CCN(C(=O)Nc3cccnc3)c2c1
Cc1ccc2N(CCc2c1)C(=O)Nc1cccnc1
CSc1cc2CCN(C(=O)Nc3cccnc3)c2cc1I
CC(C)Oc1cc2CCN(C(=O)Nc3cccnc3)c2cc1C(F)(F)F
CCSc1cc2CCN(C(=O)Nc3cccnc3)c2cc1C(F)(F)F
CN(C)c1ccc2N(CCc2c1)C(=O)Nc1cccnc1
FC(F)(F)c1ccc2CCN(C(=O)Nc3cccnc3)c2c1
Clc1cc2N(CCc2cc1I)C(=O)Nc1cccnc1
CC(C)(C)c1cc2CCN(C(=O)Nc3cccnc3)c2cc1Cl
Cc1cc2CCN(C(=O)Nc3cccnc3)c2cc1Br
CCc1cc2CCN(C(=O)Nc3cccnc3)c2cc1Cl
Cc1c(Cl)cc2N(CCc2c1Cl)C(=O)Nc1cccnc1
CSc1ccc2N(CCc2c1)C(=O)Nc1cccnc1
CC(C)c1ccc2N(CCc2c1)C(=O)Nc1cccnc1
CC(C)Sc1cc2CCN(C(=O)Nc3cccnc3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3cccnc3)c2cc1C(F)(F)C(F)(F)F
COc1cc2CCN(C(=O)Nc3cccnc3)c2cc1Br
CCOc1cc2CCN(C(=O)Nc3cccnc3)c2cc1Cl
CSc1cc2CCN(C(=O)Nc3cccnc3)c2cc1OC(F)(F)F
CSc1cc2CCN(C(=O)Nc3cccnc3)c2cc1Br
CSc1cc2CCN(C(=O)Nc3cccnc3)c2cc1Cl
CN(C)CCc1c([nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc12)C(=O)NCc1ccccc1
CN(C)CCc1c([nH]c2ccc(CCN3C(=O)CNC3=O)cc12)C(=O)NCc1ccccc1
COc1ccccc1N1CCN(CC2CC(=O)c3ccccc23)CC1
Fc1ccc(cc1)C(=O)C1CCN(CCC2CCc3sccc3C2=O)CC1
Fc1ccc(cc1)C(=O)C1CCN(CCC2Cc3sccc3C2=O)CC1
Fc1ccc(cc1)C(=O)C1CCN(CC2Cc3sccc3C(=O)C2)CC1
COc1ccccc1N1CCN(CCC2CCc3sccc3C2=O)CC1
Fc1ccc(cc1)C(=O)CCCN1CCN(CC2Cc3sccc3C(=O)C2)CC1
Fc1ccc2c(noc2c1)C1CCN(CC2Cc3sccc3C(=O)C2)CC1
Fc1ccc(cc1)C(=O)CCCN1CCN(CC2CC(=O)c3ccccc23)CC1
Fc1ccc2c(noc2c1)C1CCN(CCC2Cc3sccc3C2=O)CC1
Fc1ccc(cc1)C(=O)CCCN1CCN(CCC2CCc3sccc3C2=O)CC1
Fc1ccc2c(noc2c1)C1CCN(CCC2CCc3sccc3C2=O)CC1
Fc1ccc(cc1)C(=O)CCCN1CCN(CCC2Cc3sccc3C2=O)CC1
COc1ccccc1N1CCN(CC2Cc3sccc3C(=O)C2)CC1
Fc1ccc(cc1)C(=O)C1CCN(CC2CC(=O)c3ccccc23)CC1
CN(C)[C@H]1C[C@@H](C1)c1c[nH]c2ccc(CC3COC(=O)N3)cc12 |wU:3.2,wD:5.7,(12.22,-9.08,;13.25,-7.93,;14.76,-8.24,;12.76,-6.47,;11.38,-5.77,;12.08,-4.41,;13.46,-5.09,;11.59,-2.95,;12.5,-1.69,;11.59,-.45,;10.13,-.94,;8.79,-.17,;7.46,-.94,;7.46,-2.48,;6.12,-3.25,;6.12,-4.79,;4.88,-5.7,;5.36,-7.16,;6.9,-7.17,;7.98,-8.25,;7.37,-5.7,;8.79,-3.25,;10.13,-2.48,)|
CNC(=O)Cn1c2CN(CCCCC34CCCc5cccc(NC3=O)c45)CCc2c2ccccc12
[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N[C@]1(C)O[C@@]2(O)[C@H](Cc5ccccc5)NC(=O)[C@H](CC(C)C)N2C1=O)c34 |c:12|
NCCCC1(CCCN)CCc2cccc(O)c2C1
O=C(C=Cc1ccccc1)N(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)Cc1cccnc1
CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)C=Cc1ccccc1
CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1
Cc1ccc2c(OCCN3CCN(Cc4cccc5cccnc45)CC3)cccc2n1
COc1cc(NC(=O)c2ccc(cc2)-c2ccccc2)ccc1OCCN(C(C)C)C(C)C
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2cccc(c2C1=O)C(F)(F)F
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2cccc(Cl)c2C1=O
COc1ccc(cc1OCCN1CCCCC1)N1Cc2ccccc2C1=O
COc1ccc(cc1OCCN1CCCCC1)N1Cc2cccc(F)c2C1=O
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2ccc(Cl)cc2C1=O
COc1ccc(cc1OCCN1[C@@H](C)CCC[C@H]1C)N1Cc2cc(Cl)cc(Cl)c2C1=O
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2c(C1=O)c(ccc2F)C(F)(F)F
COc1ccc(cc1OCCN1CCCCC1)N1Cc2ccc(Cl)cc2C1=O
COc1ccc(cc1OCCN1CCCCC1C)N1Cc2cc(Cl)cc(Cl)c2C1=O
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2cccc(Br)c2C1=O
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2cccc(C)c2C1=O
COc1ccc(cc1OCCN1CCCCCC1)N1Cc2cc(Cl)cc(Cl)c2C1=O
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2cc(C)cc(C)c2C1=N
COc1cccc2CN(C(=O)c12)c1ccc(OC)c(OCCN2CCCCC2)c1
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2cccc(C#N)c2C1=O
COc1ccc(cc1OCCN1CCCCC1)N1Cc2c(cccc2Cl)C1=O
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2cc(Cl)c(C)c(Cl)c2C1=O
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2c(C1=O)c(Cl)cc(F)c2F
COc1ccc(cc1OCCN1CCOCC1)N1Cc2cc(Cl)cc(Cl)c2C1=O
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2cc(Cl)ccc2C1=O
COc1ccc(cc1OCCN1CCC(C)(C)CC1)N1Cc2cc(Cl)cc(Cl)c2C1=O
COc1ccc(cc1OCCN1CCC(C)CC1)N1C(C)c2cccc(Cl)c2C1=O
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2cc(C)cc(C)c2C1=O
COc1ccc(cc1OCCN1CCCC(C)C1)N1Cc2cc(Cl)cc(Cl)c2C1=O
COc1ccc(cc1OCCN1CCCCC1)N1Cc2cccc(Cl)c2C1=O
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2cc(F)cc(c2C1=O)C(F)(F)F
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2cc(Cl)c(Cl)c(C)c2C1=O
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2cc(Cl)cc(Cl)c2C1=O
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2cc(Cl)c(Cl)cc2C1=O
COc1ccc(cc1OCCN1CCCCC1)N1Cc2cc(Cl)ccc2C1=O
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2c(cccc2Cl)C1=O
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2ccc(Cl)c(Cl)c2C1=O
COc1ccc(cc1OCCN1CCCCC1)N1Cc2c(C1=O)c1ccc(F)cc1n2C
COc1ccc(cc1OCCN1CCCCC1)N1Cc2c(C1=O)c1cc(Cl)ccc1n2C
COc1ccc(cc1OCCN1CCCCC1)N1Cc2c(C1=O)c1ccccc1n2C
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2c(C1=O)c1cc(F)ccc1n2C
COc1ccc(cc1OCCN1CCC(C)CC1)N1C(O)c2c(C1=O)c1ccccc1n2C
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2sc3ccccc3c2C1=O
COc1ccc(cc1OCCN1CCCCC1)N1Cc2sc3ccccc3c2C1=O
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2c(C1=O)c1cc(Cl)ccc1n2C
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2c(C1=O)c1cccc(F)c1n2C
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2c(C1=O)c1ccc(Cl)cc1n2C
COc1ccc2n(C)c3CN(C(=O)c3c2c1)c1ccc(OC)c(OCCN2CCCCC2)c1
COc1ccc(cc1OCCN1CCCCC1)N1Cc2c(C1=O)c1ccc(Cl)cc1n2C
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2c(C1=O)c1ccc(F)cc1n2C
COc1ccc(cc1OCCN1CCCCC1)N1Cc2c(C1=O)c1cc(Cl)c(Cl)cc1n2C
C[C@H]1Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
Fc1ccc2[nH]cc(C3=CCN(CCCCN4C(=O)c5ccccc5C4=O)CC3)c2c1 |t:8|
Cc1ccc2c(OCCN3CCC(Cc4cc5NC(=O)COc5cc4F)CC3)cc(Cl)cc2n1
Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5OCC(=O)Nc5c4)CC3)cc(F)cc2n1
Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5OCC(=O)Nc5c4)CC3)cc(Cl)cc2n1
Cc1ccc2c(OCCN3CCC(Cc4cc5NC(=O)COc5cc4F)CC3)cc(F)cc2n1
Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4F)CC3)cc(F)cc2n1
Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4F)CC3)cc(Cl)cc2n1
Cn1ncc2c1CC(CN1CCC(CC1)C(=O)c1ccc(F)cc1)CC2=O
Cc1noc2CC(CN3CCC(CC3)c3noc4cc(F)ccc34)CC(=O)c12
Cn1ncc2c1CC(CN1CCC(CC1)c1noc3cc(F)ccc13)CC2=O
Fc1ccc2c(noc2c1)C1CCN(CC2Cc3[nH]ncc3C(=O)C2)CC1
Fc1ccc(cc1)C(=O)C1CCN(CC2Cc3[nH]ncc3C(=O)C2)CC1
Cc1noc2CC(CN3CCC(CC3)C(=O)c3ccc(F)cc3)CC(=O)c12
C[C@H]1CNCCc2c1cc(cc2)Cl
COc1ccc2C(C)CNCCc2c1
C[C@H]1CNCCc2ccc(Cl)c(Cl)c12
CC1CNCCc2cccc(Cl)c12
Clc1ccc2CCNCCc2c1
COc1cc2CCNCC(C)c2cc1Cl
CC[C@H]1CNCCc2ccc(Cl)cc12
C[C@@H]1CNCCc2ccc(Cl)c(Cl)c12
CC1CNCCc2cc(Cl)ccc12
CC1CNCCc2ccc(Cl)cc12
COc1cc2CCNC[C@@H](C)c2cc1Cl
CC1CNCCc2ccccc12
CC1CNCCc2ccc(cc12)C(F)(F)F
CC1CNCCc2cc(F)c(Cl)cc12
COc1ccc2CCNCC(C)c2c1
CC1CNCCc2c(Cl)cccc12
C[C@H]1CNCCc2cc(Cl)c(Cl)cc12
C[C@@H]1CNCCc2ccc(Cl)cc12
C[C@@H]1CNCCc2cc(Cl)c(Cl)cc12
COc1cc2C(C)CNCCc2cc1Cl
C1Cc2ccccc2CCN1
CC[C@@H]1CNCCc2ccc(Cl)cc12
C[C@H]1CNCCc2ccc(cc12)C(F)(F)F
CC1CNCCc2c(Cl)cc(Cl)cc12
CC1CNCCc2ccc(F)cc12
CC1CNCCc2ccc(Cl)c(Cl)c12
CC1CNCCc2cc(Cl)c(Cl)cc12
CC1(C)CNCCc2ccc(Cl)cc12
CC1CNCCc2ccc(Br)cc12
C[C@@H]1CNCCc2ccc(Cl)c(F)c12
COc1cc2CCNC[C@H](C)c2cc1Cl
CC1CNCCc2ccc(Cl)c(F)c12
C[C@@H]1CNCCc2ccc(cc12)C(F)(F)F
COC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
OC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
Clc1cc2NC(=O)[C@H]3CNCCN3c2cc1Cl
CC1NCCc2c(C)c3ccc(Cl)c(C)c3n12
CCOc1ccc2n3CCCc3c(C[C@H](C)N)c2c1 |r|
Clc1ccc(c(Cl)c1)-c1ccc(cc1)-c1cc2[C@@H]3CNC[C@@H]3N3CCCSc(c1)c23 |r|
CC(Oc1cncc(n1)N1CCNCC1)c1cccc(F)c1
CCc1cc2c(ccc3cnn(C[C@H](C)N)c23)o1
C1C[C@H]2[C@@H](C1)N1CCNCC3CCCC2C13 |r|
C[C@H]1CNC[C@@H](C)N1C(=O)OCc1c(F)cc(OCc2c(C)noc2C)cc1F |r|
Cc1cccc(N2CCN(CCc3ccc4nn[nH]c4c3)CC2)c1C
C(Cc1ccc2nn[nH]c2c1)N1CCN(CC1)c1cccc2ccccc12
COc1ccccc1N1CCN(CCc2ccc3[nH]nnc3c2)CC1
C(Cc1ccc2[nH]cnc2c1)N1CCN(CC1)c1cccc2ccccc12
[H][C@@]12CNC[C@@H](C)N1C(=O)c1ccccc1C2 |r|
[H][C@@]12CNCCN1C(=O)c1ccc(Cl)cc1C2 |r|
[H][C@@]12CNCCN1C(=O)c1ccc(C)cc1C2 |r|
[H][C@@]12CNCCN1C(=O)c1cc(ccc1C2)C#N |r|
[H][C@@]12CNCCN1C(=O)c1cc(Cl)ccc1C2 |r|
[H][C@@]12CNCCN1C(=O)c1cc(CC)ccc1C2 |r|
[H][C@@]12CNCCN1C(=O)c1c(C2)cccc1C#N |r|
[H][C@@]12CNCCN1C(=O)c1c(CC)cccc1C2 |r|
[H][C@@]12CN[C@H](C)CN1C(=O)c1ccccc1C2 |r|
[H][C@@]12CN(C)CCN1C(=O)c1ccccc1C2 |r|
C[C@@]12CNCCN1C(=O)c1ccccc1C2 |r|
[H][C@@]12CNCCN1C(=O)c1c(C)cc(CC)cc1C2 |r|
[H][C@@]12CNCCN1C(=O)c1cccc(OCCC)c1C2 |r|
[H][C@@]12CNCCN1C(=O)c1cccc(OC)c1C2 |r|
[H][C@@]12CNCCN1C(=O)c1cccc(c1C2)C(F)(F)F |r|
[H][C@@]12CNCCN1C(=O)c1cccc(CC)c1C2 |r|
[H][C@@]12CNCCN1C(=O)c1ccc(OC)cc1C2 |r|
[H][C@@]12CNCCN1C(=O)c1cc(C)ccc1C2 |r|
[H][C@@]12CNCCN1C(=O)c1c(C2)cccc1OC |r|
[H][C@@]12CNCCN1C(=O)c1c(C2)cccc1C1CC1 |r|
[H][C@@]12CNCCN1C(=O)c1ccccc1[C@H]2C |r|
[H][C@@]12CNCCN1C(=O)c1ccc3CCCOc3c1C2 |r|
[H][C@@]12CNCCN1C(=O)c1c(C)cc(C)cc1C2 |r|
[H][C@@]12CNCCN1C(=O)c1cccc(OCC)c1C2 |r|
[H][C@@]12CNCCN1C(=O)c1ccc(CCC)cc1C2 |r|
[H][C@@]12CNCCN1C(=O)c1c(C)cccc1C2 |r|
[H][C@@]12CNCCN1C(=O)c1ccc(cc1C2)C(F)(F)F |r|
[H][C@@]12CNCCN1C(=O)c1c(C)ccc(OC)c1C2 |r|
[H][C@@]12CNCCN1C(=O)c1cc(OC)ccc1C2 |r|
[H][C@@]12CNCCN1C(=O)c1c(Cl)cccc1C2 |r|
[H][C@@]12CNCCN1C(=O)c1ccc(cc1C2)C#N |r|
[H][C@@]12CNCCN1C(=O)c1cc(ccc1C2)C(F)(F)F |r|
[H][C@@]12CN[C@@H](C)CN1C(=O)c1ccccc1C2 |r|
[H][C@@]12CNCCN1C(=O)c1c(C2)cccc1C(F)(F)F |r|
[H][C@@]12CNCCN1C(=O)c1ccccc1C2 |r|
[H][C@@]12CNCCN1C(=O)c1cccc(C)c1C2 |r|
[H][C@@]12CNCCN1C(=O)c1ccc(C)c(OC)c1C2 |r|
[H][C@@]12CNCCN1C(=O)c1ccc(CC)cc1C2 |r|
[H][C@@]12CNC[C@H](C)N1C(=O)c1ccccc1C2 |r|
[H][C@]12CNCCN1C(=O)c1ccccc1C2 |r|
Clc1ccc(cc1)-n1cc(CCCCN2CCN(CC2)c2ccccc2)cn1
Clc1ccc(cc1)-n1cc(COCCN2CCN(CC2)c2ccccc2)cn1
Clc1ccc(cc1)-n1cc(CN2CCN(CC2)c2ccccc2)cn1
Clc1ccc(cc1)-n1cc(CCCCCN2CCN(CC2)c2ccccc2)cn1
Clc1ccc(cc1)-n1cc(CCCN2CCN(CC2)c2ccccc2)cn1
Clc1ccc(cc1)-n1cc(COCCCN2CCN(CC2)c2ccccc2)cn1
COc1cc(CCNCc2ccc(Cl)cc2)c(OC)cc1Br
CCNCCc1c[nH]c2ccc(OC)cc12
COc1cc(CCN(C)C)c(OC)cc1Br
COc1ccc2[nH]cc(CCNCc3ccc(Br)cc3)c2c1
CNCCc1cc(OC)c(Br)cc1OC
COc1cc(CCN2CCCCC2)c(OC)cc1Br
COc1ccc2[nH]cc(CCNCc3ccc(I)cc3)c2c1
COc1ccc2[nH]cc(CCNCc3ccc(cc3)[N+]([O-])=O)c2c1
COc1ccc2[nH]cc(CCNCc3ccc(Cl)cc3)c2c1
COc1ccc2[nH]cc(CCNCc3ccc(N)cc3)c2c1
COc1cc(CCNCCCc2ccccc2)c(OC)cc1Br
COc1cc(CCNCc2ccccc2)c(OC)cc1Br
COc1cc(CCNCCCCc2ccccc2)c(OC)cc1Br
COc1cc(CCNCc2ccc(C)cc2)c(OC)cc1Br
COc1ccc2[nH]cc(CCNCc3ccc(F)cc3)c2c1
COc1cc(CCNCc2ccc(cc2)[N+]([O-])=O)c(OC)cc1Br
COc1cc(CCNCc2ccc(F)cc2)c(OC)cc1Br
COc1cc(CCNCc2ccc(N)cc2)c(OC)cc1Br
COc1ccc2[nH]cc(CCNCCCCc3ccccc3)c2c1
COc1ccc2[nH]cc(CCN3CCCCC3)c2c1
COc1ccc2[nH]cc(CCNCc3ccc(C)cc3)c2c1
COc1ccc(CNCCc2cc(OC)c(Br)cc2OC)cc1
CCNCCc1cc(OC)c(Br)cc1OC
COc1ccc2[nH]cc(CCNCCCc3ccccc3)c2c1
COc1cc(CCNCc2ccc(I)cc2)c(OC)cc1Br
COc1ccc2[nH]cc(CCNCc3ccccc3)c2c1
CNCCc1c[nH]c2ccc(OC)cc12
COc1ccc(CNCCc2c[nH]c3ccc(OC)cc23)cc1
COc1cc(CCNCc2ccc(Br)cc2)c(OC)cc1Br
[#6]-[#7]-1-[#6]-[#6]-[#6](=[#6]-[#6]-1)-[#6]-1=[#6]-c2ccccc2\[#6](=[#6](\[#6])-[#6])-c2ccccc-12 |c:4,t:8|
[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-1=[#6]-c2ccccc2\[#6](=[#6](\[#6])-[#6])-c2ccccc-12 |t:8|
C\C=C1\c2ccccc2C=C(N2CCN(C)CC2)c2ccccc12 |t:10|
CC1c2ccccc2C=C(N2CCN(C)CC2)c2ccccc12 |t:9|
CN1CCC(=CC1)C1=Cc2ccccc2C(=C)c2ccccc12 |c:4,t:8|
CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(Cl)cc12 |t:8|
[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-1=[#6]-c2cc(Cl)ccc2\[#6](=[#6](/[#6])-[#6])-c2ccccc-12 |t:8|
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(C)c2ccccc12 |t:8|
CN1CCN(CC1)C1=Cc2ccccc2Cc2ccc(Cl)cc12 |t:8|
C[C@H]1c2ccccc2C=C(C2=CCN(C)CC2)c2ccccc12 |t:9,11|
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Oc2ccccc12 |t:8|
CN1CCC(CC1)C1=Cc2cc(Cl)ccc2Cc2ccccc12 |t:8|
CN1CCN(CC1)C1=Cc2cc(Cl)ccc2Cc2ccccc12 |t:8|
C[C@@H]1c2ccccc2C=C(C2=CCN(C)CC2)c2ccccc12 |t:9,11|
CC1CCN(CC1)C1=Cc2cc(Cl)ccc2Cc2ccccc12 |t:8|
CN1CCN(CC1)C1=Cc2ccccc2Oc2ccccc12 |t:8|
CC1c2ccccc2C=C(C2=CCN(C)CC2)c2ccccc12 |t:9,11|
CN1CCN(CC1)C1=Cc2ccccc2Oc2ccc(Cl)cc12 |t:8|
CN1CCN(CC1)C2=Nc3ccccc3Nc4c2cccc4
CN1CCN(CC1)C1=Cc2cc(Cl)ccc2Oc2ccccc12 |t:8|
CN1CCN(CC1)C1=Cc2ccccc2C(=C)c2ccccc12 |t:8|
CCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
Cc1nccn1C[C@H]1CCc2c(C1=O)c1cccc3CCCn2c13
[H][C@@]12CCC[C@]1([H])c1cccc3CNCCN(C2)c13 |r|
Fc1ccc(CCCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)cc1
COc1ccc(OCCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)cc1
Fc1ccc(OCCCN2CCC(CC2)Nc2ccccc2)cc1
O=C1NCN(c2ccccc2)C11CCN(CCCCc2ccccc2)CC1
O=C1NCN(c2ccccc2)C11CCN(CCCc2ccccc2)CC1
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)NC(=O)c1ccccc1
CN(C)CCCOc1ccc(F)cc1
O=C1NCN(c2ccccc2)C11CCN(CCCCOc2ccccc2)CC1
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)Nc1ccccc1
Fc1ccc(cc1)C(=O)CCCN1CCCCC1
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(=O)c1ccc(F)cc1
NCCCOc1ccc(F)cc1
Fc1ccc(OCCCN2CCC(CC2)C(=O)c2ccc(F)cc2)cc1
NCCCC(=O)c1ccc(F)cc1
O=C1NCN(c2ccccc2)C11CCN(CCCOc2ccccc2)CC1
Fc1ccc(OCCCN2CCC(CC2)C(=O)Nc2ccccc2)cc1
[O-][N+](=O)c1ccc(OCCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)cc1
c1ccc(cc1)N2CNC(=O)C23CCNCC3
O=C1NCN(c2ccccc2)C11CCN(CCc2ccccc2)CC1
Fc1ccc(cc1)C(=O)CCCN1CCC(Cc2ccccc2)CC1
CN(C)CCCC(=O)c1ccc(F)cc1
CN(C1CCN(CCCOc2ccc(F)cc2)CC1)c1ccccc1
Fc1ccc(OCCCN2CCC(CC2)NC(=O)c2ccccc2)cc1
[#7][#6](-[#7])=[#7][#6](=O)-c1ccc2-c3ccccc3C3([#6]-[#6]-[#6]-[#8]3)c2c1
CB1Nc2cccc(OCC(O)CN(C)C)c2C=C1 |c:18|
CB1Nc2c(OCC(O)CN(C)C)cccc2C=C1 |c:18|
CC(N)Cc1c2CCOc2c(Br)c2CCOc12
CC[C@H]1c2ccccc2N(C[C@@]1(C)N)c1ccccc1 |r|
CC[C@H]1c2cc(C)ccc2OC[C@@]1(C)N |r|
[H][C@@]12CCN[C@]1(C)CN(c1ccccc1)c1ccccc21 |r|
CC[C@H]1c2cc(OC)ccc2CC[C@@]1(C)N |r|
[H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
[H][C@@]1(O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O)[C@H](NC(=O)[C@@H]1C[C@H](CCCCCCCCCCC)CCN1)[C@H](C)Cl |r|
CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3cn(c4c3c(ccc4)C2=C1)C)C
COc1ccccc1C1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)n2N)CC1
Cc1sc2nc(SCCCN3CCN(CC3)c3ncccn3)n(N)c(=O)c2c1C
COc1ccccc1N1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)n2N)CC1
COc1cc(CCN)c2CCOc2c1OC
COc1c2OCCc2c(CCN)c2CCOc12
CCOc1c(OC)cc(CCN)cc1OC
Fc1cccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
COc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(C)CC1 |c:14|
CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(O)cc12 |t:8|
CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8|
CN1CCN(CC1)C1=Nc2cc(O)ccc2Nc2ccccc12 |t:8|
COc1ccc2Nc3ccccc3N=C(N3CCN(C)CC3)c2c1 |t:14|
CN1CCN(CC1)C1=Nc2cc(OS(=O)(=O)C(F)(F)F)ccc2Nc2ccccc12 |t:8|
Cn1c2ccc(CCN3CCN(CC3)c3ccccc3)cc2sc1=O
O=c1[nH]c2ccc(CCN3CCN(CC3)c3ccccc3)cc2s1
COc1ccccc1N1CCN(CCCCc2ccc3[nH]c(=O)sc3c2)CC1
Cn1c2ccc(CCN3CCN(CC3)c3cccc(c3)C(F)(F)F)cc2sc1=O
COc1ccccc1N1CCN(CCc2ccc3n(C)c(=O)sc3c2)CC1
COc1ccccc1N1CCN(CCc2ccc3N(C)C(=O)COc3c2)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCc2ccc3[nH]c(=O)sc3c2)CC1
Cn1c2ccc(CCN3CCN(CC3)c3ccccc3O)cc2sc1=O
COc1ccccc1N1CCN(CCCCc2ccc3n(C)c(=O)sc3c2)CC1
COc1ccccc1N1CCN(CCCc2ccc3n(C)c(=O)sc3c2)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCCc2ccc3[nH]c(=O)sc3c2)CC1
CN1C(=O)COc2cc(CCN3CCN(CC3)c3cccc(c3)C(F)(F)F)ccc12
CN1C(=O)COc2cc(CCCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)ccc12
COc1ccccc1N1CCN(CCCc2ccc3[nH]c(=O)sc3c2)CC1
COc1ccccc1N1CCN(CCc2ccc3[nH]c(=O)sc3c2)CC1
Oc1ccccc1N1CCN(CCc2ccc3[nH]c(=O)sc3c2)CC1
COc1cc(Br)c2OC[C@H]3C[C@@H](N)Cc1c23
C[C@@H](N)Cc1c2CCOc2c(Br)c2CCOc12
COc1cc(Br)c2OC[C@@H]3C[C@@H](N)Cc1c23
NC1CC1c1c[nH]c2ccccc12
N[C@@H]1C[C@H]1c1c[nH]c2ccccc12
NC1CC1c1c[nH]c2ccc(F)cc12
N[C@H]1C[C@@H]1c1c[nH]c2ccccc12
CC(CN)c1c[nH]c2ccccc12
COc1cccc2[nH]cc(C3CC3N)c12
COc1ccc2[nH]cc(C3CC3N)c2c1
COc1ccc2[nH]cc(C(C)CN)c2c1
CCCCN1CN(C)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
CN1CNC(=O)C11CCN(CCCC(=O)c2ccc(F)cc2)CC1
Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)NCNC2=O
NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)NC1CCCCC1
NC(=O)C1(N)CCN(CCCC(=O)c2ccc(F)cc2)CC1
CC(C)NC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)C(N)=O
CCN1CN(C)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
CC(C)N1CNC(=O)C11CCN(CCCC(=O)c2ccc(F)cc2)CC1
CC(C)N1CN(C)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
CCN1CNC(=O)C11CCN(CCCC(=O)c2ccc(F)cc2)CC1
Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)C1CCCCC1
CNC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)C(N)=O
CCCN1CN(C)C2(CCN(CCCOc3ccc(F)cc3)CC2)C1=O
CN1CN(C)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
CCCN1CN(C)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
CN1CN(Cc2ccccc2)C(=O)C11CCN(CCCC(=O)c2ccc(F)cc2)CC1
CN1CNC(=O)C11CCN(CCCOc2ccc(F)cc2)CC1
CC(N)Cc1c2ccoc2c(Br)c2ccoc12
NC[C@H]1C[C@]1(F)c1cccc(F)c1
NC[C@H]1C[C@]1(F)c1ccccc1Br
COc1ccccc1CNCC1CC1(F)c1cc(F)ccc1OC
Cc1cccc(c1)[C@@]1(F)C[C@@H]1CN
Cc1cccc(c1)[C@]1(F)C[C@H]1CN
CNC[C@H]1C[C@]1(F)c1ccccc1
NCC1C(c2ccccc2)C1(F)F
NC[C@H]1C[C@]1(F)c1ccccc1
NC[C@@H]1C[C@@]1(F)c1ccccc1
NC[C@H]1C[C@]1(F)c1cccc(Cl)c1
COc1ccccc1CNC[C@H]1C[C@]1(F)c1ccccc1
COc1ccc(F)cc1C1(F)CC1CN
NC[C@@H]1C[C@@]1(F)c1cccc(Cl)c1
[H][C@]12C[C@@]1(CSc1ccccc1F)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CCC3)C3CCC3)nc(Cl)nc12 |r|
O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12 |r|
[H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC(C3CCCC3)C3CCCC3)nc(Cl)nc12 |r|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CCC3)C3CCC3)ncnc12 |r|
[H][C@]12C[C@@]1(CCl)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CCC3)C3CCC3)nc(Cl)nc12 |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12)C(=O)OCC |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12)C(=O)NC |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(C3CCC3)C3CCC3)nc(Cl)nc12 |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CCC3)C3CCC3)nc(Cl)nc12)C(=O)OCC |r|
[H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC(C3CCC3)C3CCC3)nc(Cl)nc12 |r|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CCC3)C3CCC3)nc(Cl)nc12 |r|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc(n1)C(N)=O |r|
[H][C@]12Cc3cccc(OC(=O)c4ccc(F)cc4)c3-c3cc(OC)cc(CCN1CCC)c23
[H][C@]12Cc3cccc(OCCCF)c3-c3cc(OC)cc(CCN1CCC)c23
[H][C@]12Cc3cccc(OCCF)c3-c3cc(OC)cc(CCN1CCC)c23
[H][C@]12Cc3cccc(OCc4ccc(F)cc4)c3-c3cc(OC)cc(CCN1C)c23
[H][C@]12Cc3cccc(OCCF)c3-c3cc(OC)cc(CCN1C)c23
[H][C@]12Cc3cccc(OC(=O)c4ccc(F)cc4)c3-c3cc(OC)cc(CCN1C)c23
[H][C@]12Cc3cccc(OCc4ccc(F)cc4)c3-c3cc(OC)cc(CCN1CCC)c23
[H][C@]12Cc3cccc(OCCCF)c3-c3cc(OC)cc(CCN1C)c23
CN(C)CCc1c[nH]c2sccc12
CN(C)CCc1c[nH]c2ccsc12
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8|
CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(OS(C)(=O)=O)cc12 |t:8|
CN1CCN(CC1)C1=Nc2ccccc2Sc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8|
CN1CCN(CC1)C1=Nc2cc(OS(C)(=O)=O)ccc2Nc2ccccc12 |t:8|
CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8|
[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|
COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1
COc1ccccc1N1CCC(CNCC2COc3ccc(Cl)cc3O2)CC1
COc1ccc(Cl)cc1C1CC1CN(CCCSc1nnc(-c2ccccc2)n1C)CC1CC1
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)CC1CC1c1cc(Cl)ccc1OC
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)CC1CC1c1ccc(F)cc1
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)CC1CC1c1cccc(Cl)c1Cl
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)C[C@H]1C[C@@H]1c1cccc(Cl)c1Cl
CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)C[C@H]1C[C@@H]1c1cccc(Cl)c1Cl
CCCN(CCCSc1nnc(-c2ccccc2)n1C)CC1CC1c1cc(F)ccc1OC
COc1ccc(F)cc1C1CC1CN(CCCSc1nnc(-c2ccccc2)n1C)CC1CC1
CCCN(CCCSc1nnc(-c2ccccc2)n1C)CC1CC1c1cc(Cl)ccc1OC
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cc(F)ccc1OC
CCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1cc(F)ccc1OC
CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cc(Cl)ccc1OC
CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1cc(Cl)ccc1OC
CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cccc(F)c1
CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cccc(Cl)c1
CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1cccc(Cl)c1
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)CC1CC1c1cccc(Cl)c1
CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1ccc(F)cc1
CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1ccc(Cl)cc1
CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1ccc(cc1)C(F)(F)F
CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1ccc(cc1)C(F)(F)F
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)CC1CC1c1ccc(cc1)C(F)(F)F
CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1cccc(Cl)c1Cl
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)C[C@@H]1C[C@H]1c1cc(F)ccc1OC
CCCN(CCCCNC(=O)c1ccc2ccccc2c1)C[C@H]1C[C@@H]1c1cccc(Cl)c1Cl
CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)C[C@@H]1C[C@H]1c1cccc(Cl)c1Cl
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)C[C@H]1C[C@@H]1c1cc(F)ccc1OC
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)CC1CC1c1cc(F)ccc1OC
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)CC1CC1c1cccc(F)c1
CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1ccc(F)cc1
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)CC1CC1c1ccc(Cl)cc1
CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cccc(Cl)c1Cl
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)C[C@@H]1C[C@H]1c1cccc(Cl)c1Cl
COc1ccc(F)cc1C1CC1CN(CCCSc1nnc(-c2ccccc2)n1C)C(C)C
CCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cc(F)ccc1OC
CCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cc(Cl)ccc1OC
CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1cccc(F)c1
CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1ccc(Cl)cc1
CCCN(CCCCNC(=O)c1ccc2ccccc2c1)C[C@@H]1C[C@H]1c1cccc(Cl)c1Cl
CCN(CCCSc1nnc(-c2ccccc2)n1C)CC1CC1c1cc(Cl)ccc1OC
CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1cc(F)ccc1OC
CCc1cc(Cl)c(OC)c(c1)N1CCN(C[C@H](O)CCNC(=O)c2cc3ccccc3[nH]2)CC1 |r|
CCc1cccc(N2CCN(C[C@H](O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl |r|
CCc1cccc(N2CCN(CC(F)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
CCc1cccc(N2CCN(C[C@@H](O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl |r|
CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1
CCc1cccc(N2CCN(CC(F)CCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
CCc1cc(Cl)c(OC)c(c1)N1CCN(C[C@@H](O)CCNC(=O)c2cc3ccccc3[nH]2)CC1 |r|
CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(F)CCNC(=O)c2cc3ccccc3o2)CC1
COc1ccc2[nH]c(c(CCN(C)C)c2c1)-c1ccccc1
COc1cc2CCN(C(=O)Nc3cncc(c3)-c3cccnc3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4)nc3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3cccc(c3C)-c3cccnc3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3cc(ccc3F)-c3cccnc3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3cc4CCOc4c(c3)-c3cccnc3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3ccc(Cl)c(c3)-c3cccnc3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3ccc(cc3)-c3cccnc3)c2cc1C(F)(F)F
CCc1cc(NC(=O)N2CCc3cc(OC)c(cc23)C(F)(F)F)cc(c1)-c1cccnc1
COc1cc2CCN(C(=O)Nc3cncc(c3)-c3ccccc3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3ccc(c(c3)-c3cccnc3)C(C)(C)C)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3ccc(Cl)c(c3)-c3cnccc3C)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3ccc(cc3)-c3ccncc3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3cc(F)cc(c3)-c3cccnc3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3cc(Br)cc(c3)-c3cccnc3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3ccc(nc3)-c3cccnc3)c2cc1C(F)(F)F
COc1ccc(NC(=O)N2CCc3cc(OC)c(cc23)C(F)(F)F)cc1-c1cccnc1
COc1cc2CCN(C(=O)Nc3ccc(C)c(c3)-c3cccnc3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3cncc(c3)-c3c(F)cccc3F)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3cc(cc(c3)-c3cccnc3)-c3ccccc3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3cccc(c3Cl)-c3cccnc3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3ccc(C)c(c3)-c3cnccc3C)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3cccc(c3)-c3c(C)ccnc3C)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3cccc(c3)-c3cccnc3C)c2cc1C(F)(F)F
CSc1cc2CCN(C(=O)Nc3cccc(c3)-c3ccncc3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3cccc(c3)-c3cccnc3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3cncc(c3)-c3ccc(F)cc3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3cncc(c3)-c3cc(F)cc(F)c3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F
Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F
CSc1cc2CCN(C(=O)Nc3cccc(c3)-c3cccnc3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3cccc(c3)-c3ccccn3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3cccc(c3)-c3cnccc3C)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3cncc(c3)-c3ccncc3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3cncc(c3)-c3cnccc3C)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3cc(F)c(C)c(c3)-c3cccnc3)c2cc1C(F)(F)F
O=C(C1CC1)c1ccc(cc1)N1CCN(Cc2ccccc2)CC1
[O-][N+](=O)c1cn(cn1)-c1ccc(cc1)C(=O)C1CC1
O=C(C1CC1)c1ccc(cc1)-n1ccnc1
C(c1nnc2CCNCCn12)c1ccccc1
FC(F)(F)c1cccc(Cc2cc3CCNCCc3nn2)c1
O=c1cc2CCNCCc2nn1Cc1ccccc1
C(c1ccccc1)n1cc2CCNCCc2n1
C(c1ccccc1)c1ncc2CCNCCc2n1
CC(c1ccccc1)c1cc2CCNCCc2nn1
COc1ccccc1Cc1cc2CCNCCc2nn1
Clc1ccc(Cc2cc3CCNCCc3nn2)cc1
C(c1ccccc1)c1cc2CCNCCc2nn1
O=c1[nH]c2CCNCCc2nc1Cc1ccccc1
Fc1ccc(Cc2cc3CCNCCc3nn2)cc1
Clc1ccccc1Cc1cc2CCNCCc2nn1
O=c1[nH]n(Cc2ccccc2)c2CCNCCc12
C(c1ccccc1)n1ncc2CCNCCc12
Cc1c(Cc2ccccc2)nnc2CCNCCc12
O=c1c2CCNCCc2[nH]n1Cc1ccccc1
NCCc1cn2CCSc3cc(Cl)cc1c23
CC1CCc2cc(F)cc3c(CCN)cn1c23
CNCCc1cn2C(C)CCc3cc(F)cc1c23
NCCc1cn2CCCc3cccc1c23
Cc1c(CCN)c2cccc3CCCn1c23
CC1CCc2cc(F)cc3c(CCN)c(C)n1c23
CCc1cccc(N2CCNCC2)c1Cl
CCc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
CCc1cc(Cl)c(OC)c(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1
CCc1cc(Cl)c(OC)c(c1)N1CCNCC1
CCc1cccc(N2CCN(C)CC2)c1Cl
CCCCN1CCN(CC1)c1cc(CC)cc(Cl)c1OC
CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(O)CCNC(=O)c2cc3ccccc3[nH]2)CC1
CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(O)CCNC(=O)c2cc3ccccc3o2)CC1
CCc1cccc(N2CCN(CC(O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
CCc1cccc(N2CCN(CC(O)CCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
CCc1cc(Cl)c(OC)c(c1)N1CCN(C)CC1
CCc1cc(Cl)c(OC)c(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
CCc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
CCCCN1CCN(CC1)c1cccc(CC)c1Cl
COc1cc(CCCc2ccccc2)c(OC)cc1CCN
COc1c(CCCc2ccccc2)ccc(CC(C)N)c1OC
COc1cc(CCCc2ccccc2)ccc1CC(C)N
COc1cc(CCc2ccccc2)c(OC)cc1CCN
COc1cc(CCCc2ccccc2)cc(OC)c1CC(C)N
COc1cc(CC(C)N)c(OC)cc1CCc1ccccc1
COc1ccccc1CC(C)N
CC(N)Cc1ccc(CCCc2ccccc2)cc1
COc1ccc(OC)c(CCN)c1
COc1cc(CC(C)N)c(OC)cc1CCCCc1ccccc1
COc1cccc(OC)c1CC(C)N
COc1cccc(CC(C)N)c1
COc1cc(CC(C)N)c(OC)cc1CCCc1ccccc1
COc1cc(CC(C)N)cc(OC)c1
COc1cc(CC(C)N)ccc1CCCc1ccccc1
NCCc1ccc(CCCc2ccccc2)cc1
COc1cccc(CC(C)N)c1OC
COc1ccc(CCCc2cc(OC)c(CC(C)N)cc2OC)cc1
COc1cc(CC(C)N)cc(OC)c1CCCc1ccccc1
COc1cc(CC(C)N)cc(OC)c1Br
COc1cc(CC(C)N)c(OC)cc1CCCc1ccc(Cl)cc1
COc1cc(CCCCc2ccccc2)c(OC)cc1CCN
Fc1cc2NC(=O)C3CNCCN3c2cc1F
FC(F)(F)c1cc2NC(=O)[C@@H]3CNCCN3c2cc1Cl
Clc1cc2NC(=O)C3CNCCN3c2cc1Cl
FC(F)(F)c1cc2NC(=O)C3CNCCN3c2cc1Cl
O=C(c1ccccc1)c1ccc2N3CCNCC3C(=O)Nc2c1
Clc1cc(Cl)c2NC(=O)C3CNCCN3c2c1
FC(F)(F)c1cc2NC(=O)[C@H]3CNCCN3c2cc1Cl
Clc1ccc2NC(=O)C3CNCCN3c2c1Cl
Clc1cc2NC[C@H]3CNCCN3c2cc1Cl
Clc1cc2NC(=O)[C@@H]3CNCCN3c2cc1Cl
FC(F)(F)c1cc2NC[C@H]3CNCCN3c2cc1Cl
Clc1cc2NCC3CNCCN3c2cc1Cl
Clc1cc2NC[C@@H]3CNCCN3c2cc1Cl
Clc1ccc2NC(=O)[C@H]3CNCCN3c2c1
COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1ccccc1
COc1cc2c(CCN(C)C)c[nH]c2cc1F
CN(C)CCc1c[nH]c2cc(F)cc(O)c12
CCN(CC)CCc1c[nH]c2cc(F)ccc12
CCN(CC)CCc1c[nH]c2cccc(O)c12
COc1ccc2[nH]cc(CCN(C)C)c2c1F
CN(C)CCc1c[nH]c2c(F)ccc(O)c12
CCN(CC)CCc1c[nH]c2ccccc12
CCN(CC)CCc1c[nH]c2ccc(OC)cc12
COC[C@H]1CCCN1CCc1c([nH]c2ccccc12)-c1ccccc1
CCN(C)CCc1c([nH]c2ccccc12)-c1ccccc1
COC[C@@H]1CCCN1CCc1c([nH]c2ccccc12)-c1ccccc1
CCN(C)CCc1c([nH]c2ccccc12)-c1cccc(c1)[N+]([O-])=O
CCN(C)CCc1c([nH]c2ccccc12)-c1ccc(F)cc1
C[C@@H]1CCCCN1CCc1c([nH]c2ccccc12)-c1ccccc1
CCN(C)CCc1c([nH]c2ccccc12)-c1cccc(F)c1
CCN(C)CCc1c([nH]c2ccccc12)-c1ccco1
CCN(C)CCc1c([nH]c2ccccc12)-c1ccc(Cl)cc1
CCN(CC)CCc1c([nH]c2ccccc12)-c1ccccc1
CCN(C)CCc1c([nH]c2ccccc12)-c1ccc(cc1)C#N
CCN(C)CCc1c([nH]c2ccccc12)-c1ccccc1F
CCN(C)CCc1c([nH]c2ccccc12)-c1cccs1
C(Cc1c([nH]c2ccccc12)-c1ccccc1)N1CCCC1
CCN(C)CCc1c([nH]c2ccccc12)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
C(Cc1c([nH]c2ccccc12)-c1ccccc1)N1CCC1
CN(C)CCc1c([nH]c2ccccc12)-c1ccccc1
CCN(C)CCc1c([nH]c2ccccc12)-c1cccc(c1)C(F)(F)F
C(Cc1c([nH]c2ccccc12)-c1ccccc1)N1CCCCC1
C[C@H]1CCCCN1CCc1c([nH]c2ccccc12)-c1ccccc1
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)c2ccccc2OCC)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)c2cccc(C)c2C)c(=O)c2cc(F)ccc12
Cc1ccc(cc1C)N1CCN(CCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
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)c4ccccc4c3=O)CC2)c1C
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
C1Cc2cccc3CNCCN1c23
Clc1ccc2CNCCN3CCc1c23
C1CN2CCNCc3cccc(C1)c23
Clc1ccc2CNCCN3CCCc1c23
Clc1ccc2CNCCN3CCOc1c23
Clc1ccc2CNCCN3CCSc1c23
[O-][S+]1CCN2CCNCc3ccc(Cl)c1c23
Clc1ccc2CNCCN3CCS(=O)(=O)c1c23
C1CCc2cccc3CNCCN(C1)c23
Brc1ccc2CNCCN3CCCCc1c23
Clc1cc2CCN3CCNCc(c1)c23
Fc1ccc2CNCCN3CCc1c23
Brc1ccc2CNCCN3CCc1c23
FC(F)(F)c1ccc2CNCCN3CCc1c23
COc1ccc2CNCCN3CCc1c23
Cc1ccc2CNCCN3CCc1c23
CCc1ccc2CNCCN3CCc1c23
CCCc1ccc2CNCCN3CCc1c23
CC(C)Cc1ccc2CNCCN3CCc1c23
C1CC1c1ccc2CNCCN3CCc1c23
C(c1ccccc1)c1ccc2CNCCN3CCc1c23
CC1CN2CCNCc3cccc1c23
CC1Cc2cccc3CNCCN1c23
C[C@@H]1[C@H](C)c2cccc3CNCCN1c23 |r|
C[C@H]1[C@H](C)c2cccc3CNCCN1c23 |r|
FC(F)(F)CC1CN2CCNCc3cccc1c23
CC1(C)CN2CCNCc3cccc1c23
CCC1(CC)CN2CCNCc3cccc1c23
C1CC2(C1)CN1CCNCc3cccc2c13
C1N2CCNCc3cccc(c23)C11CCOCC1
CC1CN2CCNCc3ccc(C)c1c23
CC1CN2CCNCc3ccc(Cl)c1c23
CC1CN2CCNCc3ccc(Br)c1c23
FC(F)(F)CC1CN2CCNCc3ccc(Br)c1c23
CC1CN2CCNCc3cc(Cl)cc1c23
CC1CN2CCNCc3cc(Cl)c(Cl)c1c23
CC1CN2CCNCc3cc(C)c(Cl)c1c23
CC1NCCN2CC(C)(C)c3cccc1c23
CC1CN2CC(C)(C)c3cccc(CN1)c23
CC1CNCc2cccc3c2N1CC3(C)C
CC1(C)CN2CCNCc3ccc(Br)c1c23
CC1(C)CN2CCNCc3ccc(Cl)c1c23
CC1(C)CN2CCNCc3ccc(F)c1c23
Cc1ccc2CNCCN3CC(C)(C)c1c23
[H][C@@]12CCC[C@]1([H])C1=CC=CC3CNCCN(C2)C13 |r,c:10,t:8|
NCC1c2ccccc2Cc2ccccc12
COc1ccc2c(c1F)c(c[nH]2)CCN3CCCC3
C[C@H]([NH3+])Cc1c2CCOc2cc2CCOc12
C[C@@H]([NH3+])Cc1c2ccoc2c(c2ccoc12)C(F)(F)F
C[C@H]([NH3+])Cc1c2CCOc2c(Br)c2CCOc12
C[C@@H]([NH3+])Cc1c2CCOc2c(c2CCOc12)C(F)(F)F
C[C@H]([NH3+])Cc1c2ccoc2c(Br)c2ccoc12
C[C@@H]([NH3+])Cc1c2CCOc2c(Br)c2CCOc12
C[C@H]([NH3+])Cc1c2CCOc2c(c2CCOc12)C(F)(F)F
C[C@@H]([NH3+])Cc1c2CCOc2cc2CCOc12
C[C@@H]([NH3+])Cc1c2ccoc2cc2ccoc12
C[C@@H]([NH3+])Cc1c2ccoc2c(Br)c2ccoc12
C[C@H]([NH3+])Cc1c2ccoc2cc2ccoc12
COc1cc(c(OC)cc1CC(C)N)C(F)(F)F
COc1ccc(OC)c(C[C@@H](C)N)c1
C[C@H]([NH3+])Cc1c2ccoc2c(c2ccoc12)C(F)(F)F
O=c1n(CCCCN2CCN(CC2)c2cccc3sccc23)nc2ccccn12
Fc1cccn2c1nn(CCCCN1CCN(CC1)c1cccc3sccc13)c2=O
O=c1n(CCCCN2CCN(CC2)c2cccc3sccc23)nc2ccc(cn12)C#N
COC(=O)c1[nH]c2cc(F)ccc2c1C1CNCC[C@H]1F
F[C@@H]1CCNCC1c1c([nH]c2ccccc12)-c1ccccc1
C(Cc1ccccc1)N1CCCC(C1)c1c([nH]c2ccccc12)-c1ccccc1
F[C@@H]1CCNCC1c1c([nH]c2cc(F)ccc12)-c1ccccc1
F[C@@H]1CCNCC1c1c([nH]c2cc(F)ccc12)-c1ccc(F)cc1
C1CC(CCN1)c1c([nH]c2ccccc12)-c1ccccc1
F[C@@H]1CCNCC1c1c([nH]c2c(Cl)cccc12)-c1ccccc1
O=C1NCCN1CCN1CCCC(C1)c1c([nH]c2ccccc12)-c1ccccc1
C(N1CCCC(C1)c1c([nH]c2ccccc12)-c1ccccc1)c1ccccc1
F[C@@H]1CCNCC1c1c([nH]c2cc(F)ccc12)C(=O)Nc1ccccc1
Fc1ccc(cc1)-c1[nH]c2cc(F)ccc2c1C1CCCNC1
F[C@@H]1CCNCC1c1c([nH]c2cc(F)ccc12)-c1cccnc1
CN1CCCCC1c1c([nH]c2ccccc12)-c1ccccc1
F[C@@H]1CCNCC1c1c([nH]c2cc(F)ccc12)C1CCCCC1
F[C@@H]1CCNCC1c1c([nH]c2c(F)cccc12)-c1ccccc1
C(Cc1ccccc1)N1CCC(CC1)c1c([nH]c2ccccc12)-c1ccccc1
C1CNCC(C1)c1c([nH]c2ccccc12)-c1ccccc1
CN1CCCC(C1)c1c([nH]c2ccccc12)-c1ccccc1
F[C@@H]1CCNCC1c1c([nH]c2ccc(F)cc12)-c1ccccc1
F[C@@H]1CCNCC1c1c([nH]c2cc(F)ccc12)-c1ccsc1
Fc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
FC(F)(F)c1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
C=Cc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
CCCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
CSc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
c1cc2c(c[nH]c2nc1)CN3CCN(CC3)c4ccc(cc4)Cl
Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
COc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
COc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
S=C(NCCN1CCN(CC1)c1ncccn1)C12CC3CC(CC(C3)C1)C2 |TLB:1:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
O=C(NCCN1CCN(CC1)c1ncccn1)C12CC3CC(CC(C3)C1)C2
Oc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c2c1
Oc1ccc2[nH]cc([C@H]3C[C@@H]4CC[C@H](C3)N4C[C@H]3CC[C@H](CC3)NC(=O)\C=C\c3ccc(Cl)c(Cl)c3)c2c1 |wU:10.16,8.7,20.25,17.18,13.15,THB:16:15:8.14.9:11.12,(1.43,-5.64,;2.76,-6.41,;2.76,-7.94,;4.09,-8.72,;5.49,-7.93,;6.98,-8.35,;7.82,-7.06,;6.89,-5.85,;7.28,-4.38,;6.21,-3.29,;6.63,-1.8,;7.03,-3.29,;8.1,-3.61,;9.19,-2.54,;8.77,-4.01,;8.12,-1.42,;7.05,-.12,;7.66,1.49,;6.75,2.73,;7.35,4.13,;8.89,4.31,;9.82,3.08,;9.19,1.66,;9.5,5.75,;10.97,6.18,;11.33,7.68,;12.09,5.13,;13.55,5.54,;14.67,4.49,;14.01,3.1,;14.88,1.83,;16.42,1.95,;17.28,.67,;17.1,3.35,;18.64,3.44,;16.24,4.61,;5.44,-6.39,;4.09,-5.62,)|
COc1ccc(cc1CCN)-c1ccccc1
COc1cc(Cc2ccccc2)ccc1CCN
COc1ccc(Cc2ccccc2)cc1CCN
COc1ccc(I)cc1CCN
COc1ccc(CCCc2ccccc2)cc1CCN
COc1cc(ccc1CCN)C#CCCCc1ccccc1
COc1cc(OCCc2ccccc2)ccc1CCN
COc1ccc(CCCCCc2ccccc2)cc1CCN
COc1ccc(OCCc2ccc(Br)cc2)cc1CCN
COc1ccc(OCc2ccccc2)cc1CCN
COc1cc(ccc1CCN)-c1ccccc1
COc1cc(CCCc2ccccc2)ccc1CCN
COc1ccc(CCCc2ccccc2)cc1CC(C)N
COc1ccc(CCc2ccccc2)cc1CCN
COc1ccc(O)cc1CCN
COc1ccc(OCCc2ccccc2)cc1CCN
COc1cc(CCCCCc2ccccc2)ccc1CCN
COc1ccc(cc1CCN)C#CCCCc1ccccc1
COc1ccccc1CCN
COc1ccc(CCCCc2ccccc2)cc1CCN
COc1ccc(CCCC2CCCCC2)cc1CCN
COc1cc(CCCCc2ccccc2)ccc1CCN
COc1cc(CCCC2CCCCC2)ccc1CCN
COc1cc(CCc2ccccc2)ccc1CCN
COc1ccc(Br)cc1CCN
Cc1cccc(CCCc2cc(=O)c3c(O)cccc3o2)c1
COc1cccc(CCCc2cc(=O)c3c(O)cccc3o2)c1
Cc1ccc(CCCc2cc(=O)c3c(O)cccc3o2)cc1
COc1ccc(CCCc2cc(=O)c3c(O)cccc3o2)cc1
Clc1ccc2n3CCNCc3cc2c1
Clc1cccc2cc3CNCCn3c12
C1Cn2c(CN1)nc1ccccc21
Cc1c2CNCCn2c2ccc(Cl)cc12
CC(N)Cn1ccc2ccc3ccccc3c12
Clc1ccc2cc3CNCCn3c2c1
CN(C)CCn1ccc2ccccc12
COc1ccc2n3CCNCc3cc2c1
COc1ccc2n(CCN(C)C)ccc2c1
C1Cn2c(CN1)cc1ccccc21
COc1ccc2cc3CNCCn3c2c1
COc1cccc2cc3CNCCn3c12
CC(CN)n1ccc2ccc3ccccc3c12
CN(C)CCn1ccc2cc(F)c(F)cc12
COc1ccc2ccn(CCN(C)C)c2c1
COc1c2CNCCn2c2ccc(Cl)cc12
CC(N)Cc1c[nH]c2ccc3ccccc3c12
CC(C)n1nc2CCNCCc2c1-c1ccc(F)cc1
CNc1ccc(cc1)-c1c2CCNCCc2nn1C(C)C
Fc1ccc(cc1)-c1c2CCNCCc2nn1C1CCC1
Fc1ccc(cc1)-c1c2CCNCCc2nn1C1CC1
CC(C)n1nc2CCNCCc2c1-c1ccc(Cl)cc1Cl |(31.47,-50.99,;30.01,-50.52,;29.69,-49.01,;28.87,-51.55,;27.36,-51.23,;26.59,-52.57,;25.04,-52.68,;24.17,-53.95,;24.62,-55.43,;26.05,-56,;27.38,-55.23,;27.62,-53.71,;29.03,-53.08,;30.36,-53.85,;31.69,-53.08,;33.02,-53.84,;33.03,-55.39,;34.36,-56.16,;31.69,-56.16,;30.36,-55.39,;29.02,-56.16,)|
CC(C)n1nc2CCNCCc2c1-c1ccc(Cl)c(Cl)c1
CC(C)n1nc2CCNCCc2c1-c1ccc(OC(F)(F)F)cc1
CC(C)n1nc2CCNCCc2c1-c1ccc(cc1)C(F)(F)F
CC(C)n1nc2CCNCCc2c1-c1ccc(cc1)C#N
CC(C)n1nc2CCNCCc2c1-c1ccc(Cl)cc1
COc1ccc(cc1)-c1c2CCNCCc2nn1C(C)C
CC(C)n1nc2CCNCCc2c1-c1ccc(C)cc1
C1Cc2nn(c(c2CCN1)-c1ccccc1)-c1ccccc1
C1CC(C1)n1nc2CCNCCc2c1-c1ccccc1
C1CC1n1nc2CCNCCc2c1-c1ccccc1
CC(C)(C)n1nc2CCNCCc2c1-c1ccccc1
CC(C)n1nc2CCNCCc2c1-c1ccccc1
CCn1nc2CCNCCc2c1-c1ccccc1
COc1ccc2OCCc2c1[C@@H]1C[C@H]1CN
CCOc1ccc2OCCc2c1[C@@H]1C[C@H]1CN
CCCOc1ccc2OCCc2c1[C@@H]1C[C@H]1CN
NC[C@@H]1C[C@H]1c1c2CCOc2ccc1OCC=C
NC[C@@H]1C[C@H]1c1c2CCOc2ccc1OCC1CC1
NC[C@@H]1C[C@H]1c1c2CCOc2ccc1OCCF
COc1ccc2occc2c1[C@@H]1C[C@H]1CN
CCOc1ccc2occc2c1[C@@H]1C[C@H]1CN
CCCOc1ccc2occc2c1[C@@H]1C[C@H]1CN
NC[C@@H]1C[C@H]1c1c(OCC=C)ccc2occc12
NC[C@@H]1C[C@H]1c1c(OCCF)ccc2occc12
NC[C@@H]1C[C@H]1c1c(OCC2CC2)ccc2occc12
CC(C)Oc1ccc2occc2c1[C@@H]1C[C@H]1CN
NC[C@@H]1C[C@H]1c1c(OCC(F)=C)ccc2occc12
CC(=C)COc1ccc2occc2c1[C@@H]1C[C@H]1CN
CCc1cc2c([C@@H]3C[C@H]3CN)c(OC)ccc2o1
CCOc1ccc2oc(CC)cc2c1[C@@H]1C[C@H]1CN
CCc1cc2c([C@@H]3C[C@H]3CN)c(OCCF)ccc2o1
CCc1cc2c([C@@H]3C[C@H]3CN)c(OCC3CC3)ccc2o1
COc1ccc2OCCc2c1[C@H]1C[C@@H]1CN
CCOc1ccc2OCCc2c1[C@H]1C[C@@H]1CN
CCCOc1ccc2OCCc2c1[C@H]1C[C@@H]1CN
NC[C@H]1C[C@@H]1c1c2CCOc2ccc1OCC=C
NC[C@H]1C[C@@H]1c1c2CCOc2ccc1OCC1CC1
NC[C@H]1C[C@@H]1c1c2CCOc2ccc1OCCF
COc1ccc2occc2c1[C@H]1C[C@@H]1CN
CCOc1ccc2occc2c1[C@H]1C[C@@H]1CN
CCCOc1ccc2occc2c1[C@H]1C[C@@H]1CN
NC[C@H]1C[C@@H]1c1c(OCC=C)ccc2occc12
NC[C@H]1C[C@@H]1c1c(OCCF)ccc2occc12
NC[C@H]1C[C@@H]1c1c(OCC2CC2)ccc2occc12
CC(C)Oc1ccc2occc2c1[C@H]1C[C@@H]1CN
NC[C@H]1C[C@@H]1c1c(OCC(F)=C)ccc2occc12
CC(=C)COc1ccc2occc2c1[C@H]1C[C@@H]1CN
CCc1cc2c([C@H]3C[C@@H]3CN)c(OC)ccc2o1
CCOc1ccc2oc(CC)cc2c1[C@H]1C[C@@H]1CN
CCCOc1ccc2oc(CC)cc2c1[C@H]1C[C@@H]1CN
CCc1cc2c([C@H]3C[C@@H]3CN)c(OCCF)ccc2o1
CCc1cc2c([C@H]3C[C@@H]3CN)c(OCC=C)ccc2o1
CCc1cc2c([C@H]3C[C@@H]3CN)c(OCC3CC3)ccc2o1
C[C@H](N)Cn1ccc2cc(F)c(Cl)cc12 |r|
CCCCCc1cc(c(c(c1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1
Fc1ccc(CCCCN2CCN(CC2)c2ccc(Cl)cn2)cc1
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccc(Cl)cn1
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)c1ccccn1
Fc1ccc(cc1)C(=O)CCCN1CCCN(CC1)c1ccc(Cl)cn1
Fc1ccc2CC(CCN3CCCN(CC3)c3ccccn3)Cc2c1
Fc1ccc2C(=O)C(CCN3CCCN(CC3)c3ccc(Cl)cn3)Cc2c1
Fc1ccc2C(=O)C(CCN3CCCN(CC3)c3ccc(Cl)cc3)Cc2c1
Fc1ccc(cc1)C(=O)CCCN1C2CCC1CN(C2)c1ccc(Cl)cn1 |TLB:11:12:18.19.17:14.15,THB:20:18:12:14.15|
Fc1ccc(cc1)C(=O)C1CCN(CCc2ccc(I)cc2)CC1
Fc1ccc(cc1)C(=O)C1CCN(CCc2ccccc2I)CC1
OC(C1CCN(CCc2ccc(F)cc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(=O)C1CCN(CCc2cccc(I)c2)CC1
Fc1ccc(CCN2CCC(CC2)C(=O)c2ccc(F)cc2)cc1
OC(C1CCN(CCc2ccccc2I)CC1)c1ccc(F)cc1
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@H](C(C)C)C3CC3)nc(I)nc12 |r|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@H](C(C)C)C3CC3)nc(SC)nc12 |r|
COc1cccc2Cc3ccccc3[C@@H]3CN(C)CCN3c12
CN1CCN2C(C1)c1ccccc1Cc1cccnc21
COc1cccc2Cc3ccccc3C3CN(C)CCN3c12
COc1cccc2Cc3ccccc3[C@H]3CN(C)CCN3c12
CN1CCN2C(C1)c1ccccc1Cc1cccc(O)c21
OCCNC(=O)c1cccc2N(CCc12)c1cc(Cc2cc(F)cc(c2)C(F)(F)F)ncn1
CC(N)Cc1c2OCCc2c(C)c2CCOc12
CC(N)Cc1c2occc2c(C)c2ccoc12
COc1cc(C)cc(OC)c1CC(C)N
CN1CCc2ccc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2C1=O
Cn1ccc2ccc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2c1=O
C[C@@H](C(c1ccc(cc1)O)O)N2CCC(CC2)Cc3ccccc3
C[C@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 |r|
C[C@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 |r|
C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
[H][C@]12CCc3c(CCC)cccc3N1CCNC2 |r|
[H][C@]12CCc3c(CCC(F)(F)F)cccc3N1CCNC2 |r|
[H][C@]12CCc3c(Cl)ccnc3N1CCNC2 |r|
[H][C@]12CCc3c(ccnc3N1CCNC2)C1CC1 |r|
[H][C@]12CCc3cnccc3N1CCNC2 |r|
[H][C@]12CCc3c(CC4CCC4)nccc3N1CCNC2 |r|
CN1CCN=C1Cc1cccnc1 |c:4|
CCOc1ccccc1Cc1c(N)nc(SCCN2CCN(Cc3cccc(c3)C(F)(F)F)CC2)nc1N
COc1cc(Cc2c(N)nc(SCCN3CCN(Cc4ccccc4Cl)CC3)nc2N)cc(OC)c1OC
Nc1nc(SCCN2CCN(Cc3ccccc3Cl)CC2)nc(N)c1Cc1ccccc1Cl
CC(C)Oc1ccccc1Cc1c(N)nc(SCCN2CCN(Cc3cccc(c3)C(F)(F)F)CC2)nc1N
Nc1nc(SCCN2CCN(Cc3ccccc3Cl)CC2)nc(N)c1Cc1ccccc1
Nc1nc(SCCN2CCN(Cc3cccc(c3)C(F)(F)F)CC2)nc(N)c1Cc1ccccc1O
COc1ccc(Cc2c(N)nc(SCCN3CCN(Cc4ccc(C)cc4)CC3)nc2N)cc1
COc1ccccc1Cc1c(N)nc(SCCN2CCN(Cc3ccccc3C(F)(F)F)CC2)nc1N
COc1cccc(Cc2c(N)nc(SCCN3CCN(Cc4cccc(c4)C(F)(F)F)CC3)nc2N)c1
COc1ccccc1Cc1c(N)nc(SCCN2CCN(Cc3cccc(c3)C(F)(F)F)CC2)nc1N
COc1ccc(Cc2c(N)nc(SCCN3CCN(Cc4ccccc4C)CC3)nc2N)cc1
Nc1nc(SCCN2CCN(Cc3ccccc3C(F)(F)F)CC2)nc(N)c1Cc1ccccc1
Nc1nc(SCCN2CCN(Cc3ccccc3Cl)CC2)nc(N)c1Cc1ccccc1O
COc1ccc(Cc2c(N)nc(SCCN3CCN(Cc4ccccc4Cl)CC3)nc2N)cc1
COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(=O)(=O)c2ccc(N)c(Br)c2)CC1
[H][C@@]12CC[C@H](O)[C@H](C(=O)OC)[C@@]1([H])C[C@]([H])(N(C2)C#N)c1[nH]c2ccccc2c1CCn1cc(nn1)-c1cccc(Cl)c1 |r|
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,)|
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,)|
CCCN1CCC(COc2nc3ccccc3c3NCCCc23)CC1
CC(=O)Nc1ccc(OCCCN2CCC(CC2)c2noc3cc(F)ccc23)cc1
CC(=O)Nc1ccc(OCCCCN2CCC(CC2)c2noc3cc(F)ccc23)cc1
FC1(F)CN(C1)C(=O)c1nc2cccnc2n1-c1ccc(Cl)c(Cl)c1
Nc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13
Nc1cc(F)ccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3CCCCN2c13
Nc1c(F)cccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13
Nc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3CCCN2c13
Nc1ccccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3SCCCN2c13
CCOC(=O)Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13
Nc1ccccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3SCCN2c13
Nc1cc(Cl)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13
Nc1cc(Br)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13
CS(=O)(=O)Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13
CCNC(=O)Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13
Fc1ccc(cc1)C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13
Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3CCCN2c13
CNc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13
Fc1ccc(C(=O)CCCN2CC[C@H]3[C@@H](C2)c2cccc4SCCCN3c24)c(NC=O)c1
Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13
Nc1ccccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3CCCN2c13
CC(=O)Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13
Nc1cc(F)ccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3SCCN2c13
Nc1cc(F)ccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3SCCCN2c13
Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3OCCN2c13
Nc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3OCCN2c13
Nc1ccccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3CCCCN2c13
Nc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3CCCCN2c13
Nc1cc(F)ccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3OCCN2c13
Nc1ccc(F)cc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13
Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCN2c13
O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13)c1ccccc1
Nc1cc(O)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13
Nc1cc(F)ccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3CCCN2c13
Nc1ccccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3OCCN2c13
Nc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCN2c13
Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3CCCCN2c13
Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1
Cc1ccccc1-c1cccc2CC3CCNCCN3c12
FC(F)(F)c1ccccc1-c1cccc2CC3CCNCCN3c12
CCOc1ccccc1-c1cc(Cl)cc2CC3CCNCCN3c12
C[C@H](N)Cn1ccc2ccc(F)cc12
FC(F)(F)C(=O)c1c2CCNCCn2c2ccccc12
Cc1ccccc1-c1cc(Cl)cc2CC3CCNCCN3c12
Cc1c2CCNCCn2c2ccccc12
NC(=O)c1c2CCNCCn2c2ccccc12
CCOc1cccc(c1)-c1cc(Cl)cc2CC3CCNCCN3c12
NC(=O)C(=O)c1c2CCNCCn2c2ccccc12
Fc1ccc(cc1)-c1cc(Cl)cc2CC3CCNCCN3c12
O=Cc1c2CCNCCn2c2ccccc12
Clc1c2CCNCCn2c2ccccc12
CCOc1ccccc1-c1ccc2N3CCNCCC3Cc2c1
Clc1ccc(Cl)c(c1)-c1cc(Cl)cc2CC3CCNCCN3c12
C1Cc2cc3ccccc3n2CCN1
COc1ccc(Cl)cc1-c1cc(Cl)cc2CC3CCNCCN3c12
Clc1ccccc1-c1cccc2CC3CCNCCN3c12
CCOc1ccccc1-c1cccc2CC3CCNCCN3c12
Clc1ccc(c(Cl)c1)-c1cc(Cl)cc2CC3CCNCCN3c12
Clc1cc2CC3CCNCCN3c2c(c1)-c1ccccc1Cl
C1C2CCNCCN2c2ccccc12
Cn1c2CCNCCc2c2ccccc12
CCOc1ccccc1-c1cc(Cl)cc2cc3CCNCCn3c12
N#Cc1c2CCNCCn2c2ccccc12
CCOc1ccc(cc1)-c1cc(Cl)cc2CC3CCNCCN3c12
CN1CCc2cc3ccccc3n2CC1
CCOc1ccccc1-c1ccc2CC3CCNCCN3c2c1
C1Cn2c3CCNCCc3c3cccc(O1)c23
C1Cc2[nH]c3ccccc3c2CCN1
Fc1ccccc1-c1cc(Cl)cc2CC3CCNCCN3c12
CCN1CCc2cc3ccccc3n2CC1
CCCN1CCc2cc3ccccc3n2CC1
CCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)nc12
COc1cc(Br)c2OC[C@@H]3CC[C@@H](CN)c1c23
COc1cc(Br)c2OC[C@H]3CC[C@@H](CN)c1c23
COc1ccc2OC[C@H]3CC[C@@H](CN)c1c23
COc1ccc2OC[C@@H]3CC[C@@H](CN)c1c23
COc1ccc2occ3CC[C@@H](CN)c1c23
COc1cc(Br)c2occ3CC[C@@H](CN)c1c23
Cn1c2CCN(C\C=C/CCc3ccccc3)Cc2c2ccccc12
Cn1c2CCN(CCCOc3ccc4ccccc4c3)Cc2c2ccccc12
C(COc1ccccc1)CN1CCc2c(C1)c1ccccc1n2Cc1ccccc1
Cn1c2CCN(CCCOc3ccc(N)cc3)Cc2c2ccccc12
COc1cccc2c3CN(CCCOc4ccc(F)cc4)CCc3n(C)c12
CCn1c2CCN(CCCOc3ccccc3)Cc2c2ccccc12
COc1ccc(CCCCN2CCc3c(C2)c2ccccc2n3C)cc1
Cn1c2CCN(CCOc3ccc(F)cc3)Cc2c2ccccc12
O=C(CCCN1CCc2c(C1)[nH]c1ccccc21)c1ccccc1
Cn1c2CCN(CCCOc3ccc(F)cc3)Cc2c2cc(Cl)ccc12
Cn1c2CCN(CCCC(O)c3ccc(F)cc3)Cc2c2ccccc12
Cn1c2CCN(CCCOc3ccc(F)cc3)Cc2c2cccc(Cl)c12
Cn1c2CCN(C\C=C\CCc3ccccc3)Cc2c2ccccc12
Cn1c2CN(CCCOc3ccccc3)CCc2c2ccccc12
Cn1c2CCN(CCCCCCc3ccccc3)Cc2c2ccccc12
C(COc1ccccc1)CN1CCc2[nH]c3ccccc3c2C1
Cn1c2CCN(CCCOc3ccccc3)Cc2c2ccccc12
Cn1c2CCN(CCCCCc3ccccc3)Cc2c2ccccc12
Cn1c2CCN(CCCC(=O)c3ccc(F)cc3)Cc2c2ccccc12
Cn1c2CCN(CCCOc3ccc(F)cc3)Cc2c2ccccc12
Cn1c2CCN(CCCOc3cccc4ccccc34)Cc2c2ccccc12
Cn1c2CCN(CCCC(N=O)c3ccc(F)cc3)Cc2c2ccccc12
Cn1c2CCN(CCCOCc3ccccc3)Cc2c2ccccc12
C(COc1ccccc1)CN1CCc2c(C1)[nH]c1ccccc21
COc1ccc2n(C)c3CCN(CCCOc4ccc(F)cc4)Cc3c2c1
Cn1c2CCN(CCCOc3ccc(cc3)[N+]([O-])=O)Cc2c2ccccc12
CC(=O)Nc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1
CC(=O)Nc1ccc(CCCCN2CCN(CC2)c2ccccn2)cc1
Nc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1
O=C1CCc2cc(CCCCN3CCN(CC3)c3ccccn3)ccc2N1
O=C1CCc2cc(OCCCN3CCN(CC3)c3ccccn3)ccc2N1
O=C1CCc2cc(OCCCN3CCCN(CC3)c3ccccn3)ccc2N1
O=C1CCc2cc(OCCCN3CCN(CC3)c3ccccn3)ccc12
O=C(CCCN1CCN(CC1)c1ccccn1)c1ccc2CCCc2c1
Clc1ccc2C(=O)C(CCN3CCN(CC3)c3ccccn3)Cc2c1
Clc1ccc2CC(CCN3CCN(CC3)c3ccccn3)Cc2c1
Clc1ccc2CC(CCN3CCN(CC3)c3ccccn3)C(=O)c2c1
Clc1cc2CC(CCN3CCN(CC3)c3ccccn3)C(=O)c2cc1Cl
Clc1ccc2C(=O)C(CCCN3CCN(CC3)c3ccccn3)Cc2c1
Clc1ccc2C(=O)C(CCCCN3CCN(CC3)c3ccccn3)Cc2c1
CC1(CCCN2CCN(CC2)c2ccccn2)Cc2cc(Cl)ccc2C1=O
CC1(CCCCN2CCN(CC2)c2ccccn2)Cc2cc(Cl)ccc2C1=O
Cc1cc(=O)oc2c(Cl)c(OCCCCN3CCC(CC3)c3noc4cc(F)ccc34)ccc12
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(=O)n(n2)-c2c(F)cccc2F)CC1 |(23.65,-6.56,;22.14,-6.23,;21.11,-7.37,;19.61,-7.04,;19.15,-5.58,;17.75,-4.96,;17.92,-3.43,;19.42,-3.11,;20.19,-4.45,;21.68,-4.77,;16.42,-5.72,;16.4,-7.26,;15.07,-8.02,;13.74,-7.24,;12.4,-8.01,;11.07,-7.23,;9.73,-8,;8.4,-7.22,;7.06,-7.99,;5.73,-7.21,;4.4,-7.99,;4.4,-9.53,;3.07,-10.3,;5.73,-10.29,;7.06,-9.53,;5.73,-11.83,;7.06,-12.6,;8.4,-11.82,;7.07,-14.14,;5.73,-14.91,;4.4,-14.14,;4.4,-12.6,;3.06,-11.83,;13.74,-5.71,;15.08,-4.94,)|
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(CCN3CCCCC3)cc2)CC1
CN1CCN(Cc2ccc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2)CC1
CN1CCN(Cc2ccc(OCCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(CCN3CCOCC3)cc2)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCN2C(=O)c3ccccc3S2(=O)=O)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
Brc1ccc2[nH]c3CNCCc3c2c1
Brc1cccc2c3CCNCc3[nH]c12
Brc1ccc2c3CCN=Cc3[nH]c2c1 |c:8|
CC(C)Oc1cccc2[nH]c3c(CCN=C3C)c12 |c:14|
COc1cccc2[nH]c3CNCCc3c12
COc1cccc2c3CCNCc3[nH]c12
COc1ccc2[nH]c3C=NCCc3c2c1 |c:8|
Brc1ccc2c3CCNCc3[nH]c2c1
Brc1cccc2[nH]c3C=NCCc3c12 |c:8|
COc1cccc2[nH]c3C=NCCc3c12 |c:9|
C(Oc1cccc2[nH]c3C=NCCc3c12)c1ccccc1 |c:9|
Brc1ccc2[nH]c3C=NCCc3c2c1 |c:7|
COc1ccc2c(c1)c3c([nH]2)CNCC3
COc1ccc2[nH]c3c(CCN=C3C)c2c1 |c:11|
c1ccc2c(c1)c3c([nH]2)CNCC3
Brc1cccc2[nH]c3CNCCc3c12
C1Cc2c(C=N1)[nH]c1ccccc21 |c:4|
COc1ccc2c(c1)[nH]c1c(C)nccc21
COc1ccc2c3CCN=Cc3[nH]c2c1 |c:9|
COc1ccc2c3CCNCc3[nH]c2c1
CC1=NCCc2c1[nH]c1ccccc21 |t:1|
COc1cccc2c3CCN=Cc3[nH]c12 |c:10|
Brc1cccc2c3CCN=Cc3[nH]c12 |c:9|
Cc1cccc(c1)-c1n[nH]cc1N1CCCNCC1
Cc1ccc(cc1)-c1n[nH]cc1N1CCCNCC1
Clc1cccc(c1)-c1n[nH]cc1N1CCCNCC1
Clc1ccc(cc1)-c1n[nH]cc1N1CCCNCC1
Fc1cccc(c1)-c1n[nH]cc1N1CCCNCC1
Fc1ccc(cc1)-c1n[nH]cc1N1CCCNCC1
COc1ccccc1-c1n[nH]cc1N1CCCNCC1
COc1cccc(c1)-c1n[nH]cc1N1CCCNCC1
COc1ccc(cc1)-c1n[nH]cc1N1CCCNCC1
C1CNCCN(C1)c1c[nH]nc1-c1ccccc1
COc1ccccc1-c1n[nH]cc1N1CCNCC1
COc1cccc(c1)-c1n[nH]cc1N1CCNCC1
COc1ccc(cc1)-c1n[nH]cc1N1CCNCC1
C1CN(CCN1)c1c[nH]nc1-c1ccccc1
Clc1ccccc1-c1n[nH]cc1N1CCNCC1
Clc1cccc(c1)-c1n[nH]cc1N1CCNCC1
Clc1ccc(cc1)-c1n[nH]cc1N1CCNCC1
Fc1ccccc1-c1n[nH]cc1N1CCNCC1
Fc1cccc(c1)-c1n[nH]cc1N1CCNCC1
Fc1ccc(cc1)-c1n[nH]cc1N1CCNCC1
Cc1ccc(cc1)-c1n[nH]cc1N1CCNCC1
[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\F)-c1cccc(-[#7]-[#6](=O)-c2c(F)cc(F)cc2F)n1
C1CC2(CN1)c1ccccc1Cc1ccccc21
CCSc1ccc2CCN(C[C@H](C)N)c2c1
C[C@H](N)CN1CCc2cc(F)c(cc12)C(F)(F)F
C[C@H](N)CN1CCc2cc(F)c(Cl)cc12
C[C@H](N)CN1CCc2ccc3OCCc3c12
C[C@H](N)CN1CCc2cc(F)c(I)cc12
C[C@H](N)CN1CCc2ccc3OCCCc3c12
CCSc1cc2N(C[C@H](C)N)CCc2cc1F
CSc1ccc2CCN(C[C@H](C)N)c2c1
C[C@H](N)CN1CCc2ccc(Cl)cc12
CSc1cc2N(C[C@H](C)N)CCc2cc1F
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(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
CN(C)C(=O)NC1CCC(CC1)CCN2CCN(CC2)c3cccc(c3Cl)Cl
COc1ccc(F)cc1[C@H]1C[C@@H]1CNCCCCOc1ccc2ccc(=O)[nH]c2c1 |r|
COc1ccc(F)cc1[C@H]1C[C@@H]1CNCCCOc1ccc2ccc(=O)[nH]c2c1 |r|
COc1ccc(Cl)cc1[C@H]1C[C@@H]1CNCCCCOc1ccc2CCC(=O)Nc2c1 |r|
COc1ccc(Cl)cc1[C@H]1C[C@@H]1CNCCCOc1ccc2ccc(=O)[nH]c2c1 |r|
C[C@@H]1Cn2c3CCCCc3c3cccc(CN1)c23
C[C@H]1Cn2c3CCCCc3c3cccc(CN1)c23
Clc1cc2CNCCn3c4CCCCc4c(c1)c23
CC1(C)Cc2c(c3cccc4CNCCn2c34)C(C)(C)C1
CC1(C)CCc2c(C1)c1cccc3CNCCn2c13
C1CCc2c(CC1)c1cccc3CNCCn2c13
C1Cn2c3CCCCCCc3c3cccc(CN1)c23
Cc1cc2CNCCn3c4CCCc4c(c1)c23
Cc1cc2CNCCn3c4CCCCc4c(c1)c23
Fc1ccc2CNCCn3c4CCCCc4c1c23
C1Cc2c(C1)c1cccc3CNCCn2c13
CNC[C@@H]1C[C@@H]2[C@@H](O1)c1ccccc1Cc1ccccc21
CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1COc1ccccc21
CN(C)CC1C[C@@H]2[C@H](O1)c1ccccc1Oc1ccccc21
CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1Oc1ccccc21
C(C1C[C@H]2[C@H](O1)c1ccccc1Sc1ccccc21)N1CCC(CC1)c1ccccc1
CN1CCN(CC2C[C@H]3[C@H](O2)c2ccccc2Cc2ccccc32)CC1
CN(C)C[C@H]1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21
C(C1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21)N1CCOCC1
CN(C)C[C@@H]1C[C@@H]2[C@@H](O1)c1ccccc1Cc1ccccc21
CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1N(C)c1ccccc21
OCCN1CCN(CC2C[C@H]3[C@H](O2)c2ccccc2Cc2ccccc32)CC1
C(C1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21)N1CCC(CC1)c1ccccc1
CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1OCc1ccccc21
CNCC1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21
Fc1ccc(cc1)C(=O)C1CCN(CC2C[C@H]3[C@H](O2)c2ccccc2Cc2ccccc32)CC1
CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21
CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1Sc1ccccc21
CN(C)C[C@@H]1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21
Clc1cccc(c1)N1CCN(CC2C[C@H]3[C@H](O2)c2ccccc2Cc2ccccc32)CC1
CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
CN(C)CC1C[C@@H]2[C@H](O1)c1ccccc1Cc1ccccc21
CN1CCN(CC2C[C@H]3[C@H](O2)c2ccccc2Sc2ccccc32)CC1
Fc1cccc(c1)S(=O)(=O)n1ccc2c(nc3ccccc3c12)N1CCNCC1
CN1CCN(CC1)c1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3)ccc2n1
CC(Nc1nc(N)nc(NCCc2cccs2)n1)c1ccc(F)cc1
C[C@H](Nc1nc(N)nc(NCCc2ccccn2)n1)c1ccc(F)cc1
C[C@H](Nc1nc(N)nc(NCCOc2ccccc2)n1)c1ccccc1
C[C@H](Nc1nc(N)nc(NCCc2ccc(F)cc2)n1)c1ccc(F)cc1
C[C@H](Nc1nc(N)nc(NCCOc2ccc(F)cc2)n1)c1ccc(F)cc1
CC(Nc1nccc(NCCOc2ccc(F)cc2)n1)c1ccccc1
C[C@H](Nc1cc(NCCOc2ccc(F)cc2)ccn1)c1ccccc1
C[C@H](Nc1ccnc(NCCOc2ccc(F)cc2)c1)c1ccccc1
C[C@H](Nc1cncc(NCCOc2ccc(F)cc2)c1)c1ccccc1
CNCc1ccc(Cl)c(c1)-c1ccccc1OC
CCNCc1ccc(Cl)c(c1)-c1ccccc1OC
CCCNCc1ccc(Cl)c(c1)-c1ccccc1OC
CCCCNCc1ccc(Cl)c(c1)-c1ccccc1OC
COc1ccccc1-c1cc(CN(C)C)ccc1Cl
CCN(CC)Cc1ccc(Cl)c(c1)-c1ccccc1OC
CCCN(CCC)Cc1ccc(Cl)c(c1)-c1ccccc1OC
CNCCc1ccc(Cl)c(c1)-c1ccccc1OC
CCNCCc1ccc(Cl)c(c1)-c1ccccc1OC
CCCNCCc1ccc(Cl)c(c1)-c1ccccc1OC
CCCCNCCc1ccc(Cl)c(c1)-c1ccccc1OC
COc1ccccc1-c1cc(CCN(C)C)ccc1Cl
CCN(CC)CCc1ccc(Cl)c(c1)-c1ccccc1OC
CCCN(CCC)CCc1ccc(Cl)c(c1)-c1ccccc1OC
COc1ccccc1-c1cc(ccc1Cl)C1CCNC1
COc1ccccc1-c1cc(ccc1Cl)C1CCN(C)C1
c1cc2c(cc1C#N)c(c[nH]2)CCCCN3CCN(CC3)c4ccc5c(c4)cc(o5)C(=O)N
Cc1cc(C)cc(c1)-c1nc(NC(=O)c2cccnc2)sc1-c1ccncc1
[H][C@@]12CN(C(=O)OCC)[C@@]([H])(C[C@@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(=O)OCC(=O)N(C)C)C2 |r|
CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1
[H][C@@]1(CC)CN2CCc3c([nH]c4cccc(OC)c34)[C@]2([H])C[C@]1([H])C(=C/OC)\C(=O)OC
[H][C@@]12C[C@@H]([C@@H](CC)CN1CCc1c2[nH]c2cccc(OC)c12)C(=C/OC)\C(=O)OC |r|
[H][C@@]12C[C@@H]([C@H](CN1CCc1c2[nH]c2cccc(OC)c12)C=C)C(=C/OC)\C(=O)OC |r|
CN(C)CCc1cn(CCF)c2cccc(O)c12
CCn1cc(CCN(C)C)c2c(O)cccc12
CN(C)CCc1cn(CC2CC2)c2cccc(O)c12
CN(C)CCc1cn(C)c2cccc(O)c12
CCN(C)CCc1cn(C)c2cccc(O)c12
CC(C)N(C)CCc1cn(C)c2cccc(O)c12
CN(CCc1cn(C)c2cccc(O)c12)CC1CC1
Clc1ccccc1S(=O)(=O)n1cc(C2=CCNCC2)c2ccccc12 |t:14|
O=C1CC(=O)N(c2ccnc(c2)-c2noc(=S)[nH]2)c2ccc3ccccc3c2N1
COc1cc2CCNCC(C)c2cc1C(F)(F)F
CC1CNCCc2cc(O)c(Br)cc12
COc1cc2CCNCC(C(C)C)c2cc1Br
COc1cc2CCNCC(C)c2cc1I
COc1cc2CCNC[C@H](C)c2cc1Br
COc1cc2CCNC[C@@H](C)c2cc1Br
CCC1CNCCc2cc(OC)c(Br)cc12
CCOc1cc2CCNCC(C)c2cc1Br
CC1CNCCc2cc(OCc3ccccc3)c(Br)cc12
COc1cc2CCNCCc2cc1Br
CC(C)Oc1cc2CCNCC(C)c2cc1Br
COc1cc2CCNCC(C)c2cc1Br
CN1CCC(CC1)C(=O)c2cccc(n2)NC(=O)c3c(cc(cc3F)F)F
CN(C)[C@@H]1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1 |r|
CN(C)CCc1c(C)[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(C)=O)nc12
COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1 |r|
COc1cc(CCNCc2ccccc2O[11CH3])c(OC)cc1Br
COc1ccccc1CNCCc1cc(OC)c(I)cc1OC
[11CH3]N1CCc2nc3ccnn3c(N3CCC3)c2CC1
C[C@H](Cc1cccc(F)c1)Oc1nc(ncc1F)N1CCNC[C@H]1C |r|
CN1CCN(CC1)C1=Cc2ccccc2Cn2c(C)ccc12 |t:8|
CN1CCN(CC1)C1=Cc2cc(Cl)ccc2Cn2cccc12 |t:8|
CN(C)C[C@H]1CC2[C@H](O1)c1cc(Br)ccc1Oc1ccccc21
CN(C)C[C@H]1CC2[C@H](O1)c1cc(F)ccc1Sc1ccccc21
CN(C)C[C@H]1CC2[C@H](O1)c1cc(F)ccc1Oc1ccccc21
CN(C)C[C@H]1CC2[C@H](O1)c1ccccc1Cc1ccccc21
CN(C)C[C@@H]1CC2[C@H](O1)c1cc(F)ccc1Oc1ccccc21
CN(C)C[C@@H]1CC2[C@H](O1)c1cc(Br)ccc1Oc1ccccc21
CN(C)C[C@@H]1CC2[C@H](O1)c1cc(Cl)ccc1Oc1ccccc21
CN(C)C[C@@H]1CC2[C@H](O1)c1cc(F)ccc1Sc1ccccc21
CN(C)C[C@H]1CC2[C@H](O1)c1cc(Cl)ccc1Oc1ccccc21
CN(C)C[C@H]1C[C@H]2[C@H](O1)c1cc(F)ccc1Sc1ccccc21
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|
COc1cc2OC[C@H]3[C@H](CN4CCN(Cc5ccc6ccccc6c5)CC4)ON=C3c2cc1OC |c:31|
Fc1ccc2CC(CC3CNC=N3)Cc2c1 |c:11|
COc1cccc2[C@H](CN(C)CCc3ccc4ccoc4c3)CCCc12
[2H]c4c([2H])c([2H])c([C@@H]3C[C@@H](N1CCN(C([2H])([2H])[2H])C(C)(C)C1)c2cc(Cl)ccc23)c([2H])c4[2H]
[2H]c4c([2H])c([2H])c([C@@H]3C[C@@H](N1CCNC(C)(C)C1)c2cc(Cl)ccc23)c([2H])c4[2H]
CN(C)C[C@H]1C[C@@H]2[C@H](O1)c1cc(Cl)ccc1Oc1ccccc21
COc1ccc2Oc3ccccc3[C@@H]3C[C@@H](CN(C)C)O[C@@H]3c2c1
CN(C)C[C@H]1C[C@@H]2[C@H](O1)c1cc(Br)ccc1Oc1ccccc21
Brc1ccc2Oc3ccccc3[C@@H]3C[C@@H](Cn4oc5ccc(cc45)N4CCC4=O)O[C@@H]3c2c1
Brc1ccc2Oc3ccccc3[C@@H]3C[C@@H](Cn4oc5ccc(cc45)N4CCOCC4)O[C@@H]3c2c1
CN(C)C[C@H]1C[C@@H]2[C@H](O1)c1cc(F)ccc1Oc1ccccc21
CN(C)C[C@@H]1C[C@@H]2[C@H](O1)c1cc(Cl)ccc1Oc1ccccc21
CCOC(=O)c1ccc2on(C[C@@H]3C[C@@H]4[C@H](O3)c3cc(Br)ccc3Oc3ccccc43)c2c1
CN(C)C[C@@H]1C[C@@H]2[C@H](O1)c1cc(Br)ccc1Oc1ccccc21
CN(C)c1ccc2on(C[C@@H]3C[C@@H]4[C@H](O3)c3cc(Br)ccc3Oc3ccccc43)c2c1
Nc1ccc2on(C[C@@H]3C[C@@H]4[C@H](O3)c3cc(Br)ccc3Oc3ccccc43)c2c1
Cc1ccc2on(C[C@@H]3C[C@@H]4[C@H](O3)c3cc(Br)ccc3Oc3ccccc43)c2c1
Brc1ccc2Oc3ccccc3[C@@H]3C[C@@H](Cn4oc5ccc(cc45)-c4ccccc4)O[C@@H]3c2c1
CN(C)C[C@@H]1C[C@@H]2[C@H](O1)c1cc(F)ccc1Oc1ccccc21
Brc1ccc2Oc3ccccc3[C@@H]3C[C@@H](Cn4oc5ccc(cc45)C#N)O[C@@H]3c2c1
COc1ccc2Oc3ccccc3[C@@H]3C[C@H](CN(C)C)O[C@@H]3c2c1
Brc1ccc2Oc3ccccc3[C@@H]3C[C@@H](Cn4oc5ccc(CN6CCOCC6)cc45)O[C@@H]3c2c1
CN(C)C[C@H]1C[C@@H]2[C@@H](O1)c1ccccc1Oc1ccccc21
C[C@@H]1CNC[C@H]2Cc3ccc(cc3N12)C#N
C[C@@H]1CNC[C@H]2Cc3ccc(C)c(C)c3N12
C[C@@H]1CNC[C@H]2Cc3ccc(Cl)c(C)c3N12
Cc1c2N3CCNC[C@@H]3Cc2ccc1Cl
C[C@@H]1CNC[C@H]2Cc3ccc(C)cc3N12
C[C@@H]1CNC[C@H]2Cc3cccc(C)c3N12
C[C@@H]1CNC[C@H]2Cc3ccc(NC(C)=O)cc3N12
C[C@@H]1CNC[C@H]2Cc3ccc(CO)cc3N12
C[C@@H]1CNC[C@H]2Cc3ccc(cc3N12)C(F)(F)F
Clc1ccc2CC3CNCCN3c2c1
C[C@@H]1CNC[C@@H]2Cc3ccc(Cl)c(C)c3N12
C[C@@H]1CNC[C@@H]2Cc3ccc(C)c(C)c3N12
Cc1c2N3CCNC[C@H]3Cc2ccc1Cl
Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccccc2)c(F)c1
Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(cc2)C#N)c(F)c1
Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccccc2F)c(F)c1
Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(cc2)-n2cccn2)c(F)c1
Fc1cccc(c1)S(=O)(=O)C1(F)CCN(CCc2ccc(F)cc2F)CC1
Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(cc2)N2CCC2)c(F)c1
Fc1ccc(CCN2CCC(CC2)S(=O)(=O)c2ccccc2)c(F)c1
Fc1ccc(C(=O)CN2CCC(CC2)S(=O)(=O)c2ccccc2)c(F)c1
Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1
Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(cc2)-n2ccnn2)c(F)c1
Fc1ccc(cc1)S(=O)(=O)C1(F)CCN(CCc2ccc(F)cc2F)CC1
Fc1ccc(cc1)S(=O)(=O)C1CCN(CCc2ccc(F)cc2F)CC1
COc1ccc2[nH]c(C)c(C3=CCNCC3)c2c1 |t:10|
Cc1[nH]c2ccc(Cl)cc2c1C1=CCNCC1 |t:13|
CCCCn1cc(CCN(C)C)c2c(O)cccc12
Oc1cccc2[nH]cc(CCN3CCCC3)c12
CN(C)CCc1c[nH]c2cccc(F)c12
Oc1cccc2[nH]cc(CCN3CCCc4ccccc34)c12
CN(C)CCc1cn(C)c2cccc(OP(O)(O)=O)c12
CN(C)CCn1ccc2c(O)cccc12
CN(C)CCc1c[nH]c2c1c(ccc2)OP(=O)(O)O
CN(C)CCc1c[nH]c2cc(O)ccc12
CN1CCN(CCc2c[nH]c3cccc(O)c23)CC1
CN(C)CCCc1c[nH]c2cccc(O)c12
CCCCn1cc(CCN(C)C)c2c(OP(O)(O)=O)cccc12
CN(C)Cc1cn(C)c2cccc(O)c12
CN(C)Cc1c[nH]c2cccc(O)c12
CC(Cc1c[nH]c2cccc(O)c12)N(C)C
CN(C)CCc1c(C)[nH]c2cccc(O)c12
COc1ccccc1N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:24|
FC(F)(F)c1cccc(c1)N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:26|
FC(F)(F)c1cccc(c1)N1CCN(CCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:25|
O=C1C2C3CC(C=C3)C2C(=O)N1OCCN1CCN(CC1)c1ccccn1 |c:6|
COc1ccccc1N1CCN(CCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:23|
Clc1cccc(c1)N1CCN(CCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:22|
Clc1ccccc1N1CCN(CCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:22|
Clc1ccccc1N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:23|
O=C1C2C3CC(C=C3)C2C(=O)N1OCCCN1CCN(CC1)c1ccccn1 |c:6|
O=C1C2C3CC(C=C3)C2C(=O)N1OCCCN1CCN(CC1)c1ncccn1 |c:6|
Clc1cccc(c1)N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:23|
Cc1cc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCNCC1
CNCCN(C)c1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1
CN(C)CCOc1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1
CN(CCO)c1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1
CN(C)CCCNc1cc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1
CN(CCO)c1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1
Cc1cc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCCNCC1
Cc1cc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCOCC1
CN(C)CCN(C)c1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1
Cc1cc(nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12)N1CCNCC1
CN1CCN(CC1)c1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1
CCN1CCCC1CNc1cc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1
CN(C)CCNc1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1
CC(CN(C)C)Nc1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1
CN1CCC(CC1)N(Cc1ccc(F)cn1)C(=O)NCc1ccc(OCC(F)(F)F)cc1
Oc1ccc2[nH]c3C(NCCc3c2c1)c1ccccc1F
Oc1ccc2[nH]c3C(NCCc3c2c1)c1ccccc1C(F)(F)F
Oc1ccc2[nH]c3C(NCCc3c2c1)c1ccccc1O
Oc1cccc(c1)C1NCCc2c1[nH]c1ccc(O)cc21
Oc1ccc(cc1)C1NCCc2c1[nH]c1ccc(O)cc21
Cc1cccc(c1)C1NCCc2c1[nH]c1ccc(O)cc21
Cc1ccc(cc1)C1NCCc2c1[nH]c1ccc(O)cc21
COc1ccc(C2NCCc3c2[nH]c2ccc(O)cc32)c(O)c1
Oc1ccc2[nH]c3C(NCCc3c2c1)c1ccc(Br)cc1O
Oc1ccc2[nH]c3C(NCCc3c2c1)c1cc(F)ccc1O
Oc1ccc2[nH]c3C(NCCc3c2c1)c1cc(Cl)ccc1O
Oc1ccc2[nH]c3C(NCCc3c2c1)c1cc(Br)ccc1O
COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(O)cc21
Oc1ccc2[nH]c3C(NCCc3c2c1)c1cccs1
Cn1ccnc1C1NCCc2c1[nH]c1ccc(O)cc21
Oc1ccc2[nH]c3C(NCCc3c2c1)c1cncnc1
Oc1ccc2[nH]c3C(NCCc3c2c1)C1CCCCC1
Oc1ccc2[nH]c3C(Cc4ccccc4)NCCc3c2c1
CCC1NCCc2c1[nH]c1ccc(O)cc21
Clc1ccc2[nH]c3C(NCCc3c2c1)c1ccccc1
Fc1ccc2[nH]c3C(NCCc3c2c1)c1ccccc1
Fc1ccccc1C1NCCc2c1[nH]c1ccc(Cl)cc21
Fc1ccc2[nH]c3C(NCCc3c2c1)c1ccccc1F
Clc1ccc2[nH]c3C(NCCc3c2c1)c1ccccc1Cl
Fc1ccc2[nH]c3C(NCCc3c2c1)c1ccccc1Cl
Clc1ccc2[nH]c3C(NCCc3c2c1)c1ccccc1Br
Fc1ccc2[nH]c3C(NCCc3c2c1)c1ccccc1Br
COc1ccccc1C1NCCc2c1[nH]c1ccc(Cl)cc21
COc1ccccc1C1NCCc2c1[nH]c1ccc(F)cc21
Oc1ccccc1C1NCCc2c1[nH]c1ccc(Cl)cc21
Oc1ccccc1C1NCCc2c1[nH]c1ccc(F)cc21
Oc1cccc(c1)C1NCCc2c1[nH]c1ccc(Cl)cc21
Oc1cccc(c1)C1NCCc2c1[nH]c1ccc(F)cc21
Oc1ccc(cc1)C1NCCc2c1[nH]c1ccc(Cl)cc21
Oc1ccc(cc1)C1NCCc2c1[nH]c1ccc(F)cc21
Cc1cccc(c1)C1NCCc2c1[nH]c1ccc(Cl)cc21
Cc1cccc(c1)C1NCCc2c1[nH]c1ccc(F)cc21
Cc1ccc(cc1)C1NCCc2c1[nH]c1ccc(Cl)cc21
Cc1ccc(cc1)C1NCCc2c1[nH]c1ccc(F)cc21
Fc1ncccc1C1NCCc2c1[nH]c1ccc(Cl)cc21
Fc1ccc2[nH]c3C(NCCc3c2c1)c1cccnc1F
Clc1ccc2[nH]c3C(NCCc3c2c1)c1ccncc1Cl
Clc1ccc2[nH]c3C(NCCc3c2c1)c1cncnc1
Fc1ccc2[nH]c3C(NCCc3c2c1)c1cncnc1
Cc1noc(C)c1C1NCCc2c1[nH]c1ccc(Cl)cc21
Cc1noc(C)c1C1NCCc2c1[nH]c1ccc(F)cc21
Fc1ccc2[nH]c3C(NCCc3c2c1)c1nccs1
Clc1ccc2[nH]c3C(NCCc3c2c1)c1cccs1
Fc1ccc2[nH]c3C(NCCc3c2c1)c1cccs1
Clc1ccc(s1)C1NCCc2c1[nH]c1ccc(Cl)cc21
Clc1ccc2[nH]c3C(NCCc3c2c1)c1ccc(Br)s1
Cc1cc(sc1Br)C1NCCc2c1[nH]c1ccc(Cl)cc21
Clc1ccc2[nH]c3C(NCCc3c2c1)c1cc2ccccc2s1
Fc1ccc2[nH]c3C(NCCc3c2c1)c1cc2ccccc2s1
Clc1ccc2[nH]c3C(NCCc3c2c1)c1ccc2ccccc2c1
Fc1ccc2[nH]c3C(NCCc3c2c1)c1ccc2ccccc2c1
COc1ccc2cc(ccc2c1)C1NCCc2c1[nH]c1ccc(Cl)cc21
COc1ccc2cc(ccc2c1)C1NCCc2c1[nH]c1ccc(F)cc21
Clc1ccc2[nH]c3C(NCCc3c2c1)C(c1ccccc1)c1ccccc1
Fc1ccc2[nH]c3C(NCCc3c2c1)C(c1ccccc1)c1ccccc1
Clc1ccc2[nH]c3C(NCCc3c2c1)C1CCCCC1
Fc1ccc2[nH]c3C(NCCc3c2c1)C1CCCCC1
Clc1ccc2[nH]c3C(NCCc3c2c1)C1CCOCC1
Fc1ccc2[nH]c3C(NCCc3c2c1)C1CCOCC1
Clc1ccc2[nH]c3C(CCc4ccccc4)NCCc3c2c1
Fc1ccc2[nH]c3C(CCc4ccccc4)NCCc3c2c1
CCC1NCCc2c1[nH]c1ccc(Cl)cc21
CCC1NCCc2c1[nH]c1ccc(F)cc21
Oc1c(Cl)cccc1C1NCCc2c1[nH]c1ccc(Cl)cc21
Oc1c(Cl)cccc1C1NCCc2c1[nH]c1ccc(F)cc21
Oc1c(Br)cccc1C1NCCc2c1[nH]c1ccc(Cl)cc21
Oc1c(Br)cccc1C1NCCc2c1[nH]c1ccc(F)cc21
Oc1cc(Cl)ccc1C1NCCc2c1[nH]c1ccc(Cl)cc21
Oc1cc(Cl)ccc1C1NCCc2c1[nH]c1ccc(F)cc21
Oc1cc(Br)ccc1C1NCCc2c1[nH]c1ccc(Cl)cc21
Oc1cc(Br)ccc1C1NCCc2c1[nH]c1ccc(F)cc21
Oc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(OC)c1
COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(O)c1
Cc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(C)c1
Cc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(C)c1
Oc1ccc(Cl)cc1C1NCCc2c1[nH]c1ccc(Cl)cc21
Oc1ccc(Br)cc1C1NCCc2c1[nH]c1ccc(Cl)cc21
Oc1ccc(Br)cc1C1NCCc2c1[nH]c1ccc(F)cc21
Cc1ccc(O)c(c1)C1NCCc2c1[nH]c1ccc(F)cc21
Oc1ccc(O)c(c1)C1NCCc2c1[nH]c1ccc(F)cc21
COc1ccc(OC)c(c1)C1NCCc2c1[nH]c1ccc(Cl)cc21
COc1ccc(OC)c(c1)C1NCCc2c1[nH]c1ccc(F)cc21
COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(F)cc21
COc1ccc(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
COc1ccc(cc1OC)C1NCCc2c1[nH]c1ccc(F)cc21
CCCC1NCCc2c1[nH]c1ccc(Cl)cc21
CCCC1NCCc2c1[nH]c1ccc(F)cc21
COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2F)cc1N1CCN(C)CC1
COc1ccccc1N1CCC(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(SC)cc2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)cc2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1N1CCN(C)CC1
COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2Cl)cc1N1CCN(C)CC1
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccnc4ccccc34)c(=O)c21
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3cncc4ccccc34)c(=O)c21
C[C@H](N)Cn1ccc2ccc3cccnc3c12
C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccc2ccccc2c1
C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1C
C[C@H](N)Cn1ccc2ccc3ccncc3c12
C[C@H](N)Cn1ccc2ccc3cnccc3c12
C[C@H](N)Cn1ccc2ccc3ncccc3c12
C[C@H](N)Cn1ccc2cc(Cl)c3ncccc3c12
C[C@@H](Cn1ccc2ccc3ncccc3c12)NCC=C
C[C@@H](Cn1ccc2ccc3ncccc3c12)NCC1CCCCC1
COc1ccccc1CN[C@@H](C)Cn1ccc2ccc3ncccc3c12
C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1Cl
C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccc2OCOc2c1
C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1
[H][C@@]12Cc3cc(OC)c(OC)cc3-c3c(OC)c(OCC=C)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC)c(OC)cc3-c3c(OC)c(OCCF)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC)c(OC)cc3-c3c(OC)c(OCC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC)c(OC)cc3-c3c(OC)c(OCCCC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC)c(OC)cc3-c3c(OC)c(OCCCCC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC)c(OC)cc3-c3c(OC)c(OCCCCCC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC)c(OC)cc3-c3c(OC)c(OC(C)C)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC)c(OC)cc3-c3c(OC)c(OC(C)CC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC)c(OC)cc3-c3c(OC)c(OC(C)CCC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC)c(OC)cc3-c3c(OC)c(OC(C)CCCC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC)c(OC)cc3-c3c(OC)c(OCC4CC4)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC)c(OC)cc3-c3c(OC)c(OC4CCCCC4)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC)c(OC)cc3-c3c(OC)c(OCc4ccc(Br)cc4)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC)c(OC)cc3-c3c(OC)c(OCc4ccccc4)cc(CCN1C)c23 |r|
COc1cc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(-c2cc1OC)c34 |r|
[H][C@@]12Cc3cc(OCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OCCCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OCCCCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OCCCCCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OCCF)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC(C)C)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC(C)CC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC(C)CCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC(C)CCCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OCC4CC4)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC4CCCCC4)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OCC=C)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OCc4ccccc4)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OCc4ccc(Br)cc4)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
COc1ccc2C[C@@H]3CNC[C@@H](C)N3c2n1
C[C@H](O)c1ccc2C[C@@H]3CNC[C@@H](C)N3c2n1
CCO[C@H](C)c1ccc2C[C@@H]3CNC[C@@H](C)N3c2n1
C[C@@H]1CNC[C@@H]2Cc3ccc(Cl)nc3N12
C[C@@H]1CNC[C@H]2Cc3ccc(nc3N12)C#N
C[C@@H]1CNC[C@H]2Cc3ccc(C)nc3N12
C[C@@H]1CNC[C@H]2Cc3ccc(nc3N12)C(F)(F)F
CCO[C@@H](C)c1ccc2C[C@@H]3CNC[C@@H](C)N3c2n1
C[C@@H]1CNC[C@H]2Cc3ccc(COCC4CC4)nc3N12
C[C@@H]1CNC[C@H]2Cc3ccc(CO)nc3N12
C[C@@H]1CNC[C@@H]2Cc3ccc(Br)nc3N12
C[C@@H]1CNC[C@H]2Cc3ccc(Br)nc3N12
COCc1ccc2C[C@@H]3CNC[C@@H](C)N3c2n1
Clc1ccc2CC3CNCCN3c2n1
C[C@@H]1CNC[C@H]2Cc3ccc(Cl)nc3N12
COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
COc1ccc2cnn(C[C@H](C)N)c2c1
C[C@H](N)Cn1ncc2ccc(O)c(C)c12
C[C@H](N)Cn1ncc2ccc(O)c(Cl)c12
COc1ccc2[nH]cc(CC(C)N)c2c1
C[C@H](N)Cn1ncc2ccc(O)c(I)c12
NCCn1ncc2ccc(O)cc12
C[C@H](N)Cn1ncc2ccc(O)cc12
C[C@H](N)Cn1ncc2ccc(O)c(F)c12
C[C@@H](N)Cn1ncc2ccc(O)cc12
FC(F)(F)c1cccc(c1)[C@H]1CC[C@H]2CNC[C@@H]12
Clc1ccc(Cl)c(c1)-c1ccnc(n1)N1CC[C@H]2CNC[C@@H]12
Fc1cccc(c1)N1CC[C@H]2CNC[C@@H]12
Fc1ccc(F)c(c1)-c1ccnc(n1)N1CC[C@H]2CNC[C@@H]12
FC(F)(F)c1ccnc(n1)N1CCC2CNCC12
FC(F)(F)c1cccc(c1)N1CC[C@H]2CNC[C@@H]12
Fc1ccc(F)c(c1)-c1ccnc(n1)N1C[C@@H]2CCN[C@@H]2C1
FC(F)(F)c1ccnc(n1)N1CC[C@@H]2CNC[C@H]12
FC(F)(F)c1ccnc(n1)N1C[C@@H]2CCN[C@@H]2C1
FC(F)(F)c1ccnc(n1)N1CC[C@H]2CNC[C@@H]12
C[C@@H]1C[C@H]2CNC[C@H]2N1c1nccc(n1)C(F)(F)F
Clc1cccc(c1)N1CC[C@H]2CNC[C@@H]12
Clc1ccc(Cl)c(c1)-c1ccnc(n1)N1C[C@@H]2CCN[C@@H]2C1
C[C@H]1C[C@H]2CNC[C@H]2N1c1nccc(n1)C(F)(F)F
OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1
OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5|
Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2ccccc2F)c(F)c1
Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2ccccc2-c2cccc3cccnc23)c(F)c1
Fc1ccc(cc1)S(=O)(=O)N1CCC(CCc2ccc(F)cc2F)=CC1 |c:25|
Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2ccccc2-c2cccc3ccccc23)c(F)c1
Fc1cccc(c1)S(=O)(=O)N1CCC(CCc2ccc(F)cc2F)CC1
Fc1ccc(CCC2CCN(CC2)C(=O)c2cccc3cccnc23)c(F)c1
Fc1ccc(CCN2CCN(CC2)C(=O)c2cccc3c(c[nH]c23)C#N)c(F)c1
Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2ccccc2C#N)c(F)c1
Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2ccccc2Cl)c(F)c1
OC1(CCc2ccc(F)cc2F)CCN(CC1)S(=O)(=O)c1ccc(F)cc1
Fc1ccc(cc1)S(=O)(=O)N1CCC(F)(CCc2ccc(F)cc2F)CC1
Fc1ccc(cc1)S(=O)(=O)N1CCN(CCc2ccc(F)cc2F)CC1
Fc1ccc(CCC2CCN(CC2)C(=O)c2ccccc2F)c(F)c1
Fc1ccc(cc1)S(=O)(=O)N1CCC(CCc2ccc(F)cc2F)CC1
CC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1
COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
C[C@@H]1[C@@H]2CNC[C@@H]2c2ccc(Cl)cc12
Clc1ccc2[C@H]3CNC[C@H]3Cc2c1
C[C@@H]1[C@@H]2CNC[C@@H]2c2cc(Cl)c(C)cc12
CC1[C@@H]2CNC[C@@H]2c2cc(Cl)c(C)cc12
C[C@@H]1[C@@H]2CNC[C@@H]2c2cc(Cl)c(Cl)cc12
CC1[C@@H]2CNC[C@@H]2c2cc(C)c(Br)cc12
CC1[C@@H]2CNC[C@@H]2c2cc(F)ccc12
C[C@H]1[C@@H]2CNC[C@@H]2c2cc(Cl)c(Cl)cc12
CC1[C@@H]2CNC[C@@H]2c2cccc(C)c12
CC1[C@@H]2CNC[C@@H]2c2cc(C)c(Cl)cc12
COc1cc2[C@H]3CNC[C@H]3C(C)c2cc1Cl
C[C@@H]1[C@@H]2CNC[C@@H]2c2ccc(Cl)c(Cl)c12
C[C@@H]1[C@@H]2CNC[C@@H]2c2cc(C)c(Cl)cc12
CC1[C@@H]2CNC[C@@H]2c2cc(Br)c(C)cc12
CC1[C@@H]2CNC[C@@H]2c2cc(Cl)c(Cl)cc12
COc1cc2[C@H]3CNC[C@H]3[C@@H](C)c2cc1Br
COc1cc2[C@H]3CNC[C@H]3[C@@H](C)c2cc1Cl
C[C@@H]1[C@@H]2CNC[C@@H]2c2cc(O)c(Cl)cc12
CC1[C@@H]2CNC[C@@H]2c2cc(C)ccc12
CC1[C@@H]2CNC[C@@H]2c2ccc(F)cc12
CC1[C@@H]2CNC[C@@H]2c2ccc(C)cc12
CC1[C@@H]2CNC[C@@H]2c2c1cccc2C
CCOc1cc2[C@H]3CNC[C@H]3[C@@H](C)c2cc1Cl
COc1cc2C(CN)CCc2c(OC)c1OC
CN1CCN(Cc2cnc3c(CNC(=O)c4ccc(nc4)-c4ccc(F)cc4)cccc3c2)CC1
CN1CCN(Cc2cnc3c(Cn4cnc5cc(sc5c4=O)-c4ccc(Cl)cc4)cccc3c2)CC1
CCN(CC)Cc1cnc2c(CNC(=O)c3ccc(nc3)-c3ccc(F)cc3)cccc2c1
CN(CC(=O)N(C)C)Cc1cnc2c(Cn3cnc4cc(sc4c3=O)-c3ccc(Cl)cc3)cccc2c1
OC1CCN(Cc2cnc3c(Cn4cnc5cc(sc5c4=O)-c4ccc(Cl)cc4)cccc3c2)CC1
CN(Cc1cccc2cc(CN3CCCCC3)cnc12)C(=O)c1ccc(cc1)-c1ccc(F)cc1
OC1CCN(Cc2cnc3c(CNC(=O)c4ccc(nc4)-c4ccc(F)cc4)cccc3c2)CC1
CN(C)Cc1cnc2c(CNC(=O)c3ccc(nc3)-c3ccc(F)cc3)cccc2c1
CS(=O)(=O)C1CCN(Cc2cnc3c(CNC(=O)c4ccc(cc4)-c4ccc(F)cc4)cccc3c2)CC1
O[C@H]1CCN(Cc2cnc3c(CNC(=O)c4ccc(cc4)-c4ccc(F)cc4)cccc3c2)C1
CCN(CC)Cc1cnc2c(CNC(=O)c3ccc(cc3)-c3ccc(F)cc3)cccc2c1
CCN(CC)Cc1cnc2c(Cn3cnc4cc(sc4c3=O)-c3ccc(Cl)cc3)cccc2c1
OC1CCN(Cc2cnc3c(CNC(=O)c4ccc(cc4)-c4ccc(F)cc4)cccc3c2)CC1
Clc1ccc(cc1)-c1cc2ncn(Cc3cccc4cc(CN5CCCC5)cnc34)c(=O)c2s1
O[C@H]1CCN(Cc2cnc3c(CNC(=O)c4ccc(nc4)-c4ccc(F)cc4)cccc3c2)C1
Fc1ccc(cc1)-c1ccc(cc1)C(=O)NCc1cccc2cc(CN3CCOCC3)cnc12
CS(=O)(=O)N1CCN(Cc2cnc3c(Cn4cnc5cc(sc5c4=O)-c4ccc(Cl)cc4)cccc3c2)CC1
CN(C)Cc1cnc2c(Cn3cnc4cc(sc4c3=O)-c3ccc(Cl)cc3)cccc2c1
Fc1ccc(cc1)-c1ccc(cn1)C(=O)NCc1cccc2cc(CN3CCOCC3)cnc12
CCC(C)(CC)NC1=NCCN=C(C1)c1ccc(C)cc1 |c:11,t:7|
CC(C)(C)NC1=NCCN=C(C1)c1ccccc1 |c:9,t:5|
CCC(C)(CC)NC1=NCCN=C(C1)c1ccc(F)cc1 |c:11,t:7|
CCC(CC)(CC)NC1=NCCN=C(C1)c1ccc(F)cc1F |c:12,t:8|
CCC1(CCCC1)N=C1CC(=NCCN1)c1ccc(F)cc1F |w:7.7,c:11|
CC(C)(C)NC1=NCCN=C(C1)c1ccc(F)cc1 |c:9,t:5|
CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3NCc4cccc(c4)I)Cl)O)O
[H][C@]12C[C@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12 |r|
[H][C@]12C[C@@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12)C(=O)NC |r|
[H][C@]12C[C@@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12)C(=O)OCC |r|
COc1ccc2c3CCNC(C)c3[nH]c2c1
COc1ccc(CC2NCCc3c2[nH]c2c(C)c(C)ccc32)c(Br)c1OC
COc1ccc(CC2NCCc3c2[nH]c2cc(C)c(C)cc32)cc1OC
COc1ccc2c3CCN=C(C)c3[nH]c2c1 |t:9|
Oc1ccc2[nH]c3c(nccc3c2c1)-c1c[nH]c2ccccc12
COc1ccc2[nH]c3c(nccc3c2c1)-c1cn(C)c2ccccc12
c1[nH]c2ccccc2c1-c1nccc2c3ccccc3[nH]c12
COc1cccc2[nH]c3c(CCN=C3C)c12 |c:12|
CN(C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(cn1)-c1ccccc1
CN([C@H]1CCc2cc(CN3CCN(CC3)C(C)=O)ccc2C1)C(=O)c1ccc(cn1)-c1ccc(F)cc1
CN(C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(nc1)-c1ccc(F)cc1
CN([C@H]1CCc2cc(CN3CCN(CC3)C(C)=O)ccc2C1)C(=O)c1ccc(cc1)-c1ccc(F)cc1
CN([C@H]1CCc2cc(CN3CCS(=O)(=O)CC3)ccc2C1)C(=O)c1ccc(cc1)-c1ccc(F)cc1
CN([C@H]1CCc2cc(CN3CCS(=O)(=O)CC3)ccc2C1)C(=O)c1ccc(cc1)-c1ccccn1
CN([C@H]1CCc2cc(CN3CCN(CC3)C(N)=O)ccc2C1)C(=O)c1ccc(cc1)-c1ccc(F)cc1
CN(C)C(=O)[C@@H]1CCCN1Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(cc1)-c1ccc(F)cc1
CN(C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(cc1)-c1ccc(Cl)cn1
CN(CC(=O)N(C)C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(cc1)-c1ccc(F)cc1
CN(C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(cc1)-c1ccccn1
CN(C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(cn1)-c1ccc(Cl)cc1
CN([C@H]1CCc2cc(CN3CCNC(=O)C3)ccc2C1)C(=O)c1ccc(nc1)-c1ccc(F)cc1
CN(C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(cc1)-c1ccncc1
CN(C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(cc1)-c1cccnc1
CN([C@H]1CCc2cc(CN3CCNC(=O)C3)ccc2C1)C(=O)c1ccc(cc1)-c1ccc(F)cc1
CN(C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(cc1)-c1ccc(F)cc1
CN([C@H]1CCc2cc(CN3CCN(CC3)C(C)=O)ccc2C1)C(=O)c1ccc(cc1)-c1ccccn1
CN(C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(cn1)-c1ccc(F)cc1
CN(C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(nc1)-c1ccc(Cl)cc1
COc1cc(c(cc1C#N)OC)CCNCc2ccccc2O
Fc1ccc(Cc2cc3C(=O)N(CCc4ccc(CN5CCCCC5)cc4)CCn3c2)cc1
Fc1ccc(cc1)C(=O)c1cc2C(=O)N(CCc3ccc(CN4CCCCC4)cc3)CCn2c1
Fc1ccc(CCc2cc3C(=O)N(CCc4ccc(CN5CCCCC5)cc4)CCn3c2)cc1
CCN(CC)Cc1ccc(CCN2CCn3nc(cc3C2=O)C(=O)Nc2ccc(F)cc2)cc1
Fc1ccc(cc1)-c1cc2C(=O)N(CCc3ccc(CN4CCCCC4)cc3)CCn2c1
CN(C(=O)c1cc2C(=O)N(CCc3ccc(CN4CCCCC4)cc3)CCn2n1)c1ccccc1
Fc1ccc(NC(=O)c2cc3C(=O)N(CCc4ccc(CN5CCCCC5)cc4)CCn3c2)cc1
Fc1cccc(NC(=O)c2cc3C(=O)N(CCc4ccc(CN5CCCCC5)cc4)CCn3n2)c1
CN(C(=O)c1cc2C(=O)N(CCc3ccc(CN4CCCCC4)cc3)CCn2n1)c1ccc(F)cc1
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1ccc(Cl)c2cccnc12
C(CN1CCN(CC1)c1ccccn1)Cc1nc2ccccc2s1
Oc1cccc2C3CNCCN3C(=O)c12
COc1cc2C(=O)N3CCNC[C@H]3c2cc1Cl
FC(F)(F)c1cc(cc2[C@@H]3CNCCN3C(=O)c12)C#C
Cc1cc2[C@@H]3CNCCN3C(=O)c2c(c1)C(F)(F)F
FC(F)(F)c1cccc2C3CNCCN3C(=O)c12
CN1CCN2[C@@H](C1)c1cccc(c1C2=O)C(F)(F)F
CC(C)Oc1cccc2C3CNCCN3C(=O)c12
COc1ccc(Cl)c2[C@@H]3CNCCN3C(=O)c12
CCc1cc2[C@@H]3CNCCN3C(=O)c2cc1OC
O=C1N2CCNCC2c2cccc(C#N)c12
C[C@@H]1CN2[C@@H](CN1)c1cccc(c1C2=O)C(F)(F)F
CCc1cc2[C@@H]3CNCCN3C(=O)c2c(c1)C(F)(F)F
COc1cc2[C@@H]3CNCCN3C(=O)c2c(c1)C(F)(F)F
CCOc1cc2[C@@H]3CNCCN3C(=O)c2c(c1)C(F)(F)F
CCc1cc2[C@@H]3CNCCN3C(=O)c2c(Cl)c1
CCc1ccc2[C@@H]3CNCCN3C(=O)c2c1OC
COc1c2C(=O)N3CCNC[C@H]3c2ccc1Cl
CC(C)c1cc2[C@@H]3CNCCN3C(=O)c2c(c1)C(F)(F)F
FC(F)(F)Oc1cccc2C3CNCCN3C(=O)c12
COc1cccc2C3CNCCN3C(=O)c12
O=C1N2CCNCC2c2ccccc12
CSc1cccc2C3CNCCN3C(=O)c12
CCCc1cc2[C@@H]3CNCCN3C(=O)c2c(c1)C(F)(F)F
Clc1cccc2C3CNCCN3C(=O)c12
CC[C@@H]1NCCN2[C@@H]1c1cccc(c1C2=O)C(F)(F)F
FC(F)(F)c1cc(cc2[C@@H]3CNCCN3C(=O)c12)C1CC1
Cc1ccc(Cl)c2C(=O)N3CCNC[C@H]3c12
FC(F)(F)c1ccc(Cl)c2[C@@H]3CNCCN3C(=O)c12
COc1ccc(Cl)c2C(=O)N3CCNC[C@H]3c12
Fc1cccc2C3CNCCN3C(=O)c12
C[C@H]1CN2[C@@H](CN1)c1cccc(c1C2=O)C(F)(F)F
FC(F)(F)c1cc(C=C)cc2[C@@H]3CNCCN3C(=O)c12
C[C@@H]1CNC[C@@H]2N1C(=O)c1c2cccc1C(F)(F)F
CC1(CC1)c1cc2[C@@H]3CNCCN3C(=O)c2c(c1)C(F)(F)F
C[C@H]1CNC[C@@H]2N1C(=O)c1c2cccc1C(F)(F)F
CC1(C)CN2[C@@H](CN1)c1cccc(c1C2=O)C(F)(F)F
FC(F)(F)c1cccc2[C@@H]3CNCCN3C(=O)c12
FC(F)(F)c1cc(Cl)cc2[C@@H]3CNCCN3C(=O)c12
C[C@@H]1NCCN2[C@@H]1c1cccc(c1C2=O)C(F)(F)F
CC(=O)c1cc2[C@@H]3CNCCN3C(=O)c2c(c1)C(F)(F)F
COc1cc2[C@@H]3CNCCN3C(=O)c2c(Cl)c1
Clc1ccc2[C@@H]3CNCCN3C(=O)c2c1Cl
FC(F)(F)c1cccc2[C@H]3CNCCN3C(=O)c12
CCCCc1cc2[C@@H]3CNCCN3C(=O)c2c(c1)C(F)(F)F
CCc1ccc(Cl)c2C(=O)N3CCNC[C@H]3c12
OCc1cc2[C@@H]3CNCCN3C(=O)c2c(c1)C(F)(F)F
NC[C@@H]1C[C@@H]1c1cc(F)ccc1OCC1CC1 |r|
NC[C@@H]1C[C@@H]1c1cc(O)ccc1OCC1CC1 |r|
CCCN1CCN(CC1)c1ccc2CCCC(N(C)C(=O)OCc3ccccc3)c2c1
COC(=O)C1(CC1CN1CCC(O)(CC1)c1ccccc1)c1ccc(C)cc1
C[C@@H](N)[C@H](O)c1c2CCOc2c(Br)c2CCOc12
C[C@@H](N)Cc1c2CCOc2c(Cc2nc(C)no2)c2CCOc12
COCc1c2CCOc2c(C[C@@H](C)N)c2CCOc12
COCCOCc1c2CCOc2c(C[C@@H](C)N)c2CCOc12
C[C@@H](N)Cc1c2ccoc2c(Cc2nc(C)no2)c2ccoc12
C[C@@H](N)Cc1c2CCOc2c(COCC(=O)Oc2ccccc2)c2CCOc12
COc1cccc(c1)N1CCN(CCCCNC(=O)c2n[nH]c3ccccc23)CC1
COc1ccc(cc1)N1CCN(CCCCNC(=O)c2n[nH]c3ccccc23)CC1
Fc1ccc(cc1)N1CCN(CCCCNC(=O)c2n[nH]c3ccccc23)CC1
O=C1N\C(=C/c2ccc(CN3CCCC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1
COc1cc(ccc1OCCN1CCCC1)-n1cc(O)n(-c2ccc(Oc3ccccc3)cc2)c1=O
[H][C@]12Cc3c(OC)c(OC)ccc3-c3c4OCOc4cc(CCN1C)c23
Oc1cc(cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O)[N+]([O-])=O |t:8|
Clc1cccc(N2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3ccnc4ccccc34)CC2)c1Cl |r,wU:15.18,wD:12.11,(-10.78,3.33,;-10.01,2.01,;-10.78,.67,;-10.01,-.67,;-8.47,-.67,;-7.7,.67,;-6.16,.67,;-5.39,-.67,;-3.85,-.67,;-3.08,.67,;-1.54,.67,;-.77,-.67,;.77,-.67,;1.54,-2,;3.08,-2,;3.85,-.67,;3.08,.67,;1.54,.67,;5.39,-.67,;6.16,.67,;5.39,2,;7.7,.67,;8.47,2,;10,2,;10.77,.66,;10.01,-.67,;10.78,-1.99,;10.02,-3.34,;8.49,-3.34,;7.71,-2.02,;8.47,-.67,;-3.85,2,;-5.39,2,;-8.48,2.01,;-7.71,3.34,)|
COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:7.6,wD:10.10,(10.78,2.66,;10.01,1.33,;8.47,1.33,;7.7,-0,;6.16,-0,;5.39,1.33,;5.39,-1.34,;3.85,-1.34,;3.08,-2.67,;1.54,-2.67,;.77,-1.34,;-.77,-1.34,;-1.54,-0,;-3.08,-0,;-3.85,-1.34,;-5.39,-1.34,;-6.16,-0,;-5.39,1.33,;-3.85,1.33,;-7.7,-0,;-8.47,-1.33,;-10,-1.33,;-10.78,-0,;-10.01,1.34,;-10.78,2.66,;-8.47,1.34,;-7.7,2.67,;1.54,-0,;3.08,-0,)|
CCc1cccc(N2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3ccnc4ccccc34)CC2)c1Cl |r,wU:16.19,wD:13.12,(-11.55,3.33,;-10.01,3.33,;-9.24,2.01,;-10.01,.67,;-9.24,-.67,;-7.7,-.67,;-6.93,.67,;-5.39,.67,;-4.62,-.67,;-3.08,-.67,;-2.31,.67,;-.77,.67,;-0,-.67,;1.54,-.67,;2.31,-2,;3.85,-2,;4.62,-.67,;3.85,.67,;2.31,.67,;6.16,-.67,;6.93,.67,;6.16,2,;8.47,.67,;9.24,2,;10.77,2,;11.54,.66,;10.78,-.67,;11.55,-1.99,;10.79,-3.34,;9.26,-3.34,;8.48,-2.02,;9.24,-.67,;-3.08,2,;-4.62,2,;-7.71,2.01,;-6.94,3.34,)|
CCc1cccc(N2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)COC)CC2)c1Cl |r,wU:16.19,wD:13.12,(-11.17,2.66,;-9.63,2.66,;-8.86,1.34,;-9.62,-0,;-8.85,-1.33,;-7.31,-1.33,;-6.54,-0,;-5,-0,;-4.23,-1.34,;-2.69,-1.34,;-1.92,-0,;-.38,-0,;.39,-1.34,;1.93,-1.34,;2.7,-2.67,;4.24,-2.67,;5.01,-1.34,;4.24,-0,;2.7,-0,;6.55,-1.34,;7.32,-0,;6.55,1.33,;8.86,-0,;9.63,1.33,;11.17,1.33,;-2.69,1.33,;-4.23,1.33,;-7.32,1.34,;-6.55,2.67,)|
COc1cccc(N2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)N(C)C)CC2)c1F |r,wU:16.19,wD:13.12,(-10.4,2.66,;-8.86,2.66,;-8.09,1.34,;-8.85,-0,;-8.08,-1.33,;-6.54,-1.33,;-5.77,-0,;-4.23,-0,;-3.46,-1.34,;-1.92,-1.34,;-1.15,-0,;.39,-0,;1.16,-1.34,;2.7,-1.34,;3.47,-2.67,;5.01,-2.67,;5.78,-1.34,;5.01,-0,;3.47,-0,;7.32,-1.34,;8.09,-0,;7.32,1.33,;9.63,-0,;10.4,1.33,;10.4,-1.34,;-1.92,1.33,;-3.46,1.33,;-6.55,1.34,;-5.78,2.67,)|
COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(OC)c2F)CC1 |r,wU:7.6,wD:10.10,(11.55,2.66,;10.78,1.33,;9.24,1.33,;8.47,-0,;6.93,-0,;6.16,1.33,;6.16,-1.34,;4.62,-1.34,;3.85,-2.67,;2.31,-2.67,;1.54,-1.34,;0,-1.34,;-.77,-0,;-2.31,-0,;-3.08,-1.34,;-4.62,-1.34,;-5.39,-0,;-4.62,1.33,;-3.08,1.33,;-6.93,-0,;-7.7,-1.33,;-9.24,-1.33,;-10.01,-0,;-9.24,1.34,;-10.01,2.66,;-11.55,2.66,;-7.7,1.34,;-6.93,2.67,;2.31,-0,;3.85,-0,)|
FC(F)(F)c1cccc(n1)N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2ccnc3ccccc23)CC1 |r,wU:19.23,wD:16.16,(-11.56,2.67,;-10.02,2.67,;-9.25,4,;-10.79,4,;-9.25,1.33,;-10.01,.01,;-9.24,-1.33,;-7.7,-1.33,;-6.93,0,;-7.71,1.33,;-5.39,0,;-4.62,-1.33,;-3.08,-1.33,;-2.31,0,;-.77,0,;-0,-1.33,;1.54,-1.33,;2.31,-2.66,;3.85,-2.66,;4.62,-1.33,;3.85,0,;2.31,0,;6.16,-1.33,;6.93,0,;6.16,1.34,;8.47,0,;9.24,1.34,;10.78,1.34,;11.55,0,;10.78,-1.34,;11.56,-2.65,;10.79,-4,;9.26,-4,;8.48,-2.68,;9.24,-1.34,;-3.08,1.34,;-4.62,1.34,)|
COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(n2)C(F)(F)F)CC1 |r,wU:7.6,wD:10.10,(11.55,2,;10.78,.67,;9.24,.67,;8.47,-.67,;6.93,-.67,;6.16,.67,;6.16,-2,;4.62,-2,;3.85,-3.33,;2.31,-3.33,;1.54,-2,;0,-2,;-.77,-.67,;-2.31,-.67,;-3.08,-2,;-4.62,-2,;-5.39,-.67,;-4.62,.67,;-3.08,.67,;-6.93,-.67,;-7.7,-2,;-9.24,-2,;-10.01,-.66,;-9.24,.67,;-7.7,.67,;-10.01,2,;-11.55,2,;-9.24,3.33,;-10.78,3.33,;2.31,-.67,;3.85,-.67,)|
CCc1cc(Cl)c(OC)c(c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)N(C)C)CC1 |r,wU:20.24,wD:17.17,(-8.85,-4,;-9.62,-2.67,;-8.85,-1.34,;-9.62,-0,;-8.86,1.34,;-9.63,2.66,;-7.32,1.34,;-6.55,2.67,;-7.32,4,;-6.54,-0,;-7.31,-1.34,;-5,-0,;-4.23,-1.34,;-2.69,-1.34,;-1.92,-0,;-.38,-0,;.39,-1.34,;1.93,-1.34,;2.7,-2.67,;4.24,-2.67,;5.01,-1.34,;4.24,-0,;2.7,-0,;6.55,-1.34,;7.32,-0,;6.55,1.33,;8.86,-0,;9.63,1.33,;9.63,-1.34,;-2.69,1.33,;-4.23,1.33,)|
CCc1cc(Cl)c(OC)c(c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)NC)CC1 |r,wU:20.24,wD:17.17,(-8.85,-4,;-9.62,-2.67,;-8.85,-1.34,;-9.62,-0,;-8.86,1.34,;-9.63,2.66,;-7.32,1.34,;-6.55,2.67,;-7.32,4,;-6.54,-0,;-7.31,-1.34,;-5,-0,;-4.23,-1.34,;-2.69,-1.34,;-1.92,-0,;-.38,-0,;.39,-1.34,;1.93,-1.34,;2.7,-2.67,;4.24,-2.67,;5.01,-1.34,;4.24,-0,;2.7,-0,;6.55,-1.34,;7.32,-0,;6.55,1.33,;8.86,-0,;9.63,1.33,;-2.69,1.33,;-4.23,1.33,)|
CCc1cc(Cl)c(OC)c(c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)CCOC)CC1 |r,wU:20.24,wD:17.17,(-10.01,-4,;-10.78,-2.67,;-10.01,-1.34,;-10.78,-0,;-10.01,1.34,;-10.78,2.66,;-8.47,1.34,;-7.7,2.67,;-8.47,4,;-7.7,-0,;-8.47,-1.34,;-6.16,-0,;-5.39,-1.34,;-3.85,-1.34,;-3.08,-0,;-1.54,-0,;-.77,-1.34,;.77,-1.34,;1.54,-2.67,;3.08,-2.67,;3.85,-1.34,;3.08,-0,;1.54,-0,;5.39,-1.34,;6.16,-0,;5.39,1.33,;7.7,-0,;8.47,1.33,;10.01,1.33,;10.78,2.66,;-3.85,1.33,;-5.39,1.33,)|
FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
COc1cccc2c3CCN(CCCCOc4ccc5ccc(=O)[nH]c5c4)Cc3oc12
COc1cccc2c3CCN(CCCCOc4ccc5CCC(=O)Nc5c4)Cc3oc12
Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccc(cc3)-c3ccccn3)CC2)c1Cl
COc1ccccc1N1CCN(C\C=C\CNC(=O)c2ccc(cc2)-c2ccccn2)CC1
O=C(NC/C=C/C[N+]2([O-])CCN(c1cccc(Cl)c1Cl)CC2)c4ccc(c3ccccn3)cc4
Cc1cccc(n1)-c1ccc(cc1)C(=O)NC\C=C\CN1CCN(CC1)c1cccc(Cl)c1Cl
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc-3c(Cc4ccccc-34)c2)CC1
Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl
Clc1cccc(N2CCN(C[C@@H]3C[C@@H]3CNC(=O)c3ccc(cc3)-c3ccccn3)CC2)c1Cl
Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccc(cc3)-c3cccc(=O)[nH]3)CC2)c1Cl
Clc1cccc(N2CCN(CCCCNC(=O)c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccccn2)CC1
OC(CCN1CCN(CC1)c1cccc(Cl)c1Cl)CNC(=O)c1ccc(cc1)-c1ccccn1 |w:1.0|
OC(CCNC(=O)c1ccc(cc1)-c1ccccn1)CN1CCN(CC1)c1cccc(Cl)c1Cl |w:1.0|
Cc1cccnc1-c1ccc(cc1)C(=O)NC\C=C\CN1CCN(CC1)c1cccc(Cl)c1Cl
Clc1cccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccccn3)CC2)c1Cl
COc1ccccc1N1CCN(CC(O)CCNC(=O)c2ccc(cc2)-c2ccccn2)CC1 |w:13.14|
CC(=O)OC(CCNC(=O)c1ccc(cc1)-c1ccccn1)CN1CCN(CC1)c1cccc(Cl)c1Cl |w:4.23|
COc1ccccc1N1CCN(C\C=C\CNC(=O)c2ccc-3c(Cc4ccccc-34)c2)CC1
Clc1cccc(N2CCN(C[C@H]3C[C@@H]3CNC(=O)c3ccc(cc3)-c3ccccn3)CC2)c1Cl
O=C(NC/C=C/CN2CCN(c1cccc(Cl)c1Cl)CC2)c4ccc(c3cccc[n+]3[O-])cc4
OC(CCNC(=O)c1ccc-2c(Cc3ccccc-23)c1)CN1CCN(CC1)c1cccc(Cl)c1Cl |w:1.0|
COc1cc(C(F)(F)F)c(OC)cc1[C@@H]1CCCNC1
COc1cc(SC(F)F)c(OC)cc1CCN
COc1cc([S+]([O-])C(F)(F)F)c(OC)cc1CCN
COc1cc(S(=O)(=O)C(F)(F)F)c(OC)cc1CCN
COc1cc([S+]([O-])C(F)F)c(OC)cc1CCN
COc1cc(S(=O)(=O)C(F)F)c(OC)cc1CCN
COc1cc(S(=O)(=O)CF)c(OC)cc1CCN
COc1cc(SSC(F)(F)F)c(OC)cc1CCN
COc1cc(SSC(C)(C)C)c(OC)cc1CCN
COc1cc(SCCC(F)(F)F)c(OC)cc1CCN
COc1cc(SCCC(F)F)c(OC)cc1CCN
COc1cc(SCC(F)(F)C(F)F)c(OC)cc1CCN
COc1cc([Se]C(F)(F)F)c(OC)cc1CCN
COc1cc(SCCCF)c(OC)cc1CCN
COc1ccc2c3ccnc(C)c3n(CCN(C)C)c2c1
COc1ccc2c(c1)N(CCN(C)C)/C(=C/C(C)=O)S2
CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)[C@H]2CCN(C)C[C@@H]2F)cc1
CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)[C@H]2CCN(C)C[C@H]2F)cc1
CC(C)COc1ccc(cc1)CNC(=O)N(Cc2ccc(cc2)F)[C@H]3CCN(CC34CC4)C
CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cn2)[C@H]2CCN(C)CC23CC3)cc1
CC(C)COc1ccc(CNC(=O)N(Cc2ccn(C)n2)[C@H]2CCN(C)CC23CC3)cc1
CCCOc1ccc(CNC(=O)N(Cc2ccn(C)n2)[C@H]2CCN(C)CC23CC3)cc1
CCCOc1ccc(CNC(=O)N(Cc2ccn(C)n2)C2CCN(C)CC2)cc1
CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1ccccc1 |w:1.0|
CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1cccc(OCc2ccccc2)c1 |w:1.0|
CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1ccc(O)cc1 |w:1.0|
COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1
CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1cccc(O)c1 |w:1.0|
OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(I)nc31)[C@H](O)[C@@H]2O
CSC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O
CSC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(I)nc31)[C@H](O)[C@@H]2O
OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCCC4)C4CCCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O
O[C@H]1[C@H](n2cnc3c(NC(C4CCCC4)C4CCCC4)nc(Cl)nc32)[C@H]2C[C@@]2(CF)[C@H]1O
O[C@H]1[C@H](n2cnc3c(NC(C4CCCC4)C4CCCC4)nc(Cl)nc32)[C@H]2C[C@@]2(CCl)[C@H]1O
CSC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCCC4)C4CCCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O
COc1ccc(SC[C@@]23C[C@@H]2[C@@H](n2cnc4c(NC(C5CCCC5)C5CCCC5)nc(Cl)nc42)[C@H](O)[C@@H]3O)cc1OC
OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCCCC4)C4CCCCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O
O[C@H]1[C@H](n2cnc3c(NC(C4CCCCC4)C4CCCCC4)nc(Cl)nc32)[C@H]2C[C@@]2(CF)[C@H]1O
O[C@H]1[C@H](n2cnc3c(NC(C4CCCCC4)C4CCCCC4)nc(Cl)nc32)[C@H]2C[C@@]2(CCl)[C@H]1O
OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@@H](C4CCC4)C4CC4)nc(I)nc31)[C@H](O)[C@@H]2O
OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@H](C4CCC4)C4CC4)nc(I)nc31)[C@H](O)[C@@H]2O
CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCCC4)C4CCCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O
CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@H](C4CCC4)C4CC4)nc(I)nc31)[C@H](O)[C@@H]2O
[H][C@]12C[C@@]1(CCl)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CCC3)C3CCC3)ncnc12 |r|
CC\N=C1/N(C)C(=O)\C(=C/c2c[nH]c3ccccc23)N1C
CN1C(=N)N(C)\C(=C\c2c[nH]c3cc(Br)ccc23)C1=O
CN1C(N)=NC(=Cc2c[nH]c3cc(Br)ccc23)C1=O |w:6.6,c:3|
NC(N)=NCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3cc(Br)ccc23)NC1=O |r,wU:7.6,11.11,(32.28,3.26,;30.95,4.04,;30.96,5.58,;29.62,3.28,;28.29,4.05,;26.95,3.29,;25.62,4.07,;24.28,3.3,;22.95,4.08,;21.61,3.31,;20.27,4.08,;21.62,1.78,;20.28,1.01,;20.28,-.53,;21.53,-1.44,;21.05,-2.91,;19.51,-2.9,;18.47,-4.05,;16.96,-3.72,;15.92,-4.86,;16.5,-2.25,;17.53,-1.11,;19.03,-1.44,;22.94,1,;24.27,1.76,;25.6,.98,)|
NC(N)=NCCC[C@@H]1NC(=O)C(NC1=O)=Cc1c[nH]c2cc(Br)ccc12 |r,w:15.16,wU:7.6,(9.1,2.09,;7.77,2.87,;7.78,4.41,;6.44,2.1,;5.11,2.88,;3.77,2.11,;2.44,2.89,;1.1,2.13,;-.23,2.9,;-1.57,2.14,;-2.91,2.91,;-1.56,.6,;-.24,-.18,;1.09,.59,;2.42,-.19,;-2.89,-.17,;-2.9,-1.71,;-1.65,-2.61,;-2.13,-4.08,;-3.67,-4.08,;-4.71,-5.23,;-6.22,-4.9,;-7.26,-6.03,;-6.68,-3.42,;-5.65,-2.29,;-4.14,-2.61,)|
COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1cccc(c1)C(F)(F)F
COc1ccc(cc1)S(=O)(=O)NC(C)CCN1CCN(CC1)c1cccc(c1)C(F)(F)F
Clc1ccc(cc1Cl)N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1ccc(F)cc1
COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1ccccc1OC
Clc1ccc(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)C1 |r|
COc1ccccc1S(=O)(=O)n1c2CCNCCc2c2ccccc12
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ncccn1
Fc1ccc(cc1)C(=O)CCCN1C2CCC1CC(C2)c1ccccc1 |TLB:11:12:18.19.17:14.15|
Fc1ccc(cc1)C(=O)CCCN1C2CCC1CN(CC2)c1ccc(Cl)cc1 |TLB:11:12:14.15:20.17.18.19,THB:21:18:14.15:12|
Fc1ccc(cc1)C(=O)CCCN1CCCN(CC1)c1ccc(Cl)cc1
OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccccc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5|
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccc(Cl)cc1
Cc1ncccc1Oc1ccc(NC(=O)c2coc3ccccc23)cn1
O=C(Nc1cccnc1)c1c[nH]c2ccccc12
O=C(Nc1ccc(Oc2ccccc2)nc1)c1c[nH]c2ccccc12
O=C(Nc1ccc(Oc2cccnc2)nc1)c1c[nH]c2ccccc12
Clc1ncccc1Oc1ccc(NC(=O)c2c[nH]c3ccccc23)cn1
Cc1ccc(Oc2ccc(NC(=O)c3c[nH]c4ccccc34)cn2)cn1
O=C(Nc1ccc(OCc2ccccn2)nc1)c1c[nH]c2ccccc12
O=C(Nc1ccc(Oc2cncnc2)nc1)c1c[nH]c2ccccc12
Cc1cccc2c(c[nH]c12)C(=O)Nc1ccc(Oc2cccnc2C)nc1
Cc1ccc2c(c[nH]c2c1)C(=O)Nc1ccc(Oc2cccnc2C)nc1
COc1ccc2[nH]cc(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2c1
Cc1ccc2[nH]cc(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2c1
CN(C(=O)c1cn(C)c2ccccc12)c1ccc(Oc2cccnc2C)nc1
CN(C(=O)c1c[nH]c2ccccc12)c1ccc(Oc2cccnc2C)nc1
Cc1ncccc1Oc1ccc(NC(=O)c2cn(C)c3ccccc23)cn1
Cc1ncccc1Oc1ccc(NS(=O)(=O)c2csc3ccccc23)cn1
Cc1ncccc1Oc1ccc(NS(=O)(=O)c2coc3ccccc23)cn1
Cc1ncccc1Oc1ccc(NC(=O)c2nc3ccccc3[nH]2)cn1
Cc1ncccc1Oc1ccc(NC(=O)c2c[nH]c3ccccc23)cn1
Cc1ncccc1Oc1ccc(NC(=O)c2cc3ccccc3[nH]2)cn1
Cc1ncccc1Oc1ccc(NC(=O)c2csc3ccccc23)cn1
CCOC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
OC1(CC2CCC(C1)N2Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
OC1(CC2CCC(C1)N2Cc1coc2ccccc12)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
OC1(CC2CCC(C1)N2Cc1csc2ccccc12)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
OC1(CC2CCC(C1)N2Cc1c[nH]c2ccccc12)c1ccc(Cl)c(Cl)c1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
O=S(=O)(c1ccccc1)c1ccc2CCNCCc2c1
CN(CC1CC1)S(=O)(=O)c1ccc2CCNCCc2c1
O=S(=O)(N1CCCCC1)c1ccc2CCNCCc2c1
CN(Cc1ccccc1)S(=O)(=O)c1ccc2CCNCCc2c1
Clc1ccccc1OC1CCN(CC1)S(=O)(=O)c1ccc2CCNCCc2c1
Fc1ccccc1OC1CCN(CC1)S(=O)(=O)c1ccc2CCNCCc2c1
Clc1ccccc1CNS(=O)(=O)c1ccc2CCNCCc2c1
O=S(=O)(N1CCCC1)c1ccc2CCNCCc2c1
CN(CC1COc2ccccc12)S(=O)(=O)c1ccc2CCNCCc2c1
CN(C)S(=O)(=O)c1ccc2CCNCCc2c1
Fc1ccccc1NS(=O)(=O)c1ccc2CCNCCc2c1
Clc1ccccc1NS(=O)(=O)c1ccc2CCNCCc2c1
O=S(=O)(N1CCOCC1)c1ccc2CCNCCc2c1
O=S(=O)(NCC1CC1)c1ccc2CCNCCc2c1
O=S(=O)(Nc1ccccc1)c1ccc2CCNCCc2c1
CCCNS(=O)(=O)c1ccc2CCNCCc2c1
CN(c1ccccc1)S(=O)(=O)c1ccc2CCNCCc2c1
Fc1ccccc1S(=O)(=O)c1ccc2CCNCCc2c1
Fc1cccc(c1)S(=O)(=O)c1ccc2CCNCCc2c1
Clc1cccc(OC2CN(C2)S(=O)(=O)c2ccc3CCNCCc3c2)c1
Clc1ccccc1O[C@@H]1CCN(C1)S(=O)(=O)c1ccc2CCNCCc2c1 |r|
Clc1ccc(OC2CN(C2)S(=O)(=O)c2ccc3CCNCCc3c2)cc1
Clc1ccccc1OC1CN(C1)S(=O)(=O)c1ccc2CCNCCc2c1
Clc1ccccc1O[C@H]1CCN(C1)S(=O)(=O)c1ccc2CCNCCc2c1 |r|
Fc1ccc(cc1)S(=O)(=O)c1ccc2CCNCCc2c1
COc1cc(c(OC)c2CCNCCc12)S(=O)(=O)N(C)Cc1ccccc1
Clc1cccc(OC2CCN(CC2)S(=O)(=O)c2ccc3CCNCCc3c2)c1
COc1cc(c(OC)c2CCNCCc12)S(=O)(=O)N1CCC(CC1)Oc1ccccc1Cl
O=S(=O)(N1CCC(CC1)Oc1ccccc1)c1ccc2CCNCCc2c1
NC[C@H]1C[C@@H]1c1ccccc1 |r|
NC[C@@H]1C[C@H]1c1ccccc1 |r|
NC[C@H]1C[C@H]1c1ccccc1 |r|
CNC[C@H]1C[C@@H]1c1ccccc1 |r|
CC(C)NC[C@H]1C[C@@H]1c1ccccc1 |r|
C(NCc1ccccc1)[C@H]1C[C@@H]1c1ccccc1 |r|
NC[C@H]1C[C@@H]1c1ccc2ccccc2c1 |r|
NC[C@H]1C[C@@H]1c1cccc(c1)-c1ccc(cc1)C(F)(F)F |r|
NC[C@H]1C[C@@H]1c1cccc(NC(=O)c2ccccc2)c1 |r|
CC(=O)Nc1cccc(c1)[C@H]1C[C@@H]1CN |r|
NC[C@H]1C[C@@H]1c1ccccc1NC(=O)Nc1ccc(Cl)cc1 |r|
NC[C@H]1C[C@@H]1c1ccccc1NC(=O)c1ccccc1 |r|
CC(=O)Nc1ccccc1[C@H]1C[C@@H]1CN |r|
NC[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(F)cc1 |r|
NC[C@H]1C[C@@H]1c1cccc(c1)-c1cc2ccccc2o1 |r|
NC[C@H]1C[C@@H]1c1cccc(c1)-c1ccc(cc1)C#N |r|
NC[C@H]1C[C@@H]1c1ccc(cc1)C#CCCCCO |r|
CC(C)(O)C#Cc1cccc(c1)[C@H]1C[C@@H]1CN |r|
NC[C@H]1C[C@@H]1c1cccc(c1)C#CCCCCO |r|
NC[C@H]1C[C@@H]1c1cccc(c1)C#C |r|
NC[C@H]1C[C@@H]1c1ccccc1C#CCCCCO |r|
NC[C@H]1C[C@@H]1c1cccc(NCc2ccccc2)c1 |r|
NC[C@H]1C[C@@H]1c1ccc(cc1)-c1ccco1 |r|
NC[C@H]1C[C@@H]1c1cccc(c1)-c1ccc(Cl)cc1 |r|
NC[C@H]1C[C@@H]1c1cccc(c1)-c1ccc(F)cc1 |r|
NC[C@H]1C[C@@H]1c1ccccc1-c1cc2ccccc2o1 |r|
NC[C@H]1C[C@@H]1c1ccccc1-c1ccc(F)cc1 |r|
NC[C@H]1C[C@@H]1c1ccccc1Br |r|
NC[C@@H]1C[C@H]1c1ccccc1Br |r|
Cc1ccc(cc1)[C@H]1C[C@@H]1CN |r|
Cc1cc(ccc1F)[C@H]1C[C@@H]1CN |r|
Cc1cccc(Cl)c1[C@H]1C[C@@H]1CN |r|
Cc1ccc([C@H]2C[C@@H]2CN)c(Br)c1 |r|
Cc1cccc([C@H]2C[C@@H]2CN)c1C |r|
Cc1ccc(cc1C)[C@H]1C[C@@H]1CN |r|
Cc1ccc(Cl)c([C@H]2C[C@@H]2CN)c1F |r|
C1CCc2c(C1)n1CCNCc3cccc2c13
NC[C@H]1C[C@@H]1c1ccc(F)cc1F |r|
NC[C@H]1C[C@@H]1c1ccc(F)c(F)c1 |r|
NC[C@H]1C[C@@H]1c1ccc(Cl)cc1F |r|
NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl |r|
NC[C@H]1C[C@@H]1c1cccc(Cl)c1Cl |r|
NC[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl |r|
NCC1CC1c1ccccc1Br
NC[C@H]1C[C@@H]1c1ccc(F)cc1 |r|
Cc1cccc(c1)[C@H]1C[C@@H]1CN |r|
NCC1CC1c1ccccc1
Cc1ccccc1[C@H]1C[C@@H]1CN |r|
COc1ccccc1[C@H]1C[C@@H]1CN |r|
NC[C@H]1C[C@@H]1c1ccccc1O |r|
COc1cccc(c1)[C@H]1C[C@@H]1CN |r|
NC[C@H]1C[C@@H]1c1cccc(O)c1 |r|
NC[C@H]1C[C@@H]1c1cccc(F)c1F |r|
NC[C@H]1C[C@@H]1c1ccc(Cl)cc1 |r|
NC[C@H]1C[C@@H]1c1c(F)cccc1F |r|
NC[C@H]1C[C@@H]1c1ccc(Br)cc1 |r|
NC[C@H]1C[C@@H]1c1ccc(cc1)C(F)(F)F |r|
COc1ccc(cc1)[C@H]1C[C@@H]1CN |r|
NC[C@H]1C[C@@H]1c1cccc(F)c1 |r|
NC[C@H]1C[C@@H]1c1ccccc1Cl |r|
NC[C@H]1C[C@@H]1c1cccc(Cl)c1 |r|
NC[C@H]1C[C@@H]1c1cccc(Br)c1 |r|
NC[C@H]1C[C@@H]1c1cccc(c1)C(F)(F)F |r|
NC[C@H]1C[C@@H]1c1ccccc1F |r|
NC[C@H]1C[C@@H]1c1ccccc1C(F)(F)F |r|
Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1
COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1
COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1
COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1
COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
COc1ccc(CCN2CCC(CC2)C(O)c2cccc(OCCF)c2OC)cc1
COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1
COc1ccc(CCN2CCC(CC2)C(=O)c2cccc(OCCF)c2OC)cc1
NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3cccc4ccccc34)cc12
Cc1ccccc1N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1
Fc1ccc(cc1)C(=O)C1CCN(CCn2c3ccc(CCCCN4CCN(CC4)c4cccc(c4)C(F)(F)F)cc3sc2=O)CC1
[#6]-[#8]-c1ccccc1-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-c2ccc3-[#7](-[#6]-[#6]-[#7]-4-[#6]-[#6]\[#6](-[#6]-[#6]-4)=[#6](\c4ccc(F)cc4)-c4ccc(F)cc4)-[#6](=O)-[#8]-[#6]-c3c2)-[#6]-[#6]-1
COc1ccccc1N1CCN(CCc2ccc3n(CCN4CCC(CC4)C(=O)c4ccc(F)cc4)c(=O)sc3c2)CC1
[#6]-[#8]-c1ccccc1-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-c2ccc3n(-[#6]-[#6]-[#7]-4-[#6]-[#6]\[#6](-[#6]-[#6]-4)=[#6](\c4ccc(F)cc4)-c4ccc(F)cc4)c(=O)sc3c2)-[#6]-[#6]-1
[#6]-[#8]-c1ccccc1-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-c2ccc3n(-[#6]-[#6]-[#7]-4-[#6]-[#6]\[#6](-[#6]-[#6]-4)=[#6](\c4ccc(F)cc4)-c4ccc(F)cc4)c(=O)oc3c2)-[#6]-[#6]-1
COc1ccccc1N1CCN(CCCCc2ccc3n(CCN4CCC(CC4)C(=O)c4ccc(F)cc4)c(=O)sc3c2)CC1
COc1ccccc1N1CCN(CCCCc2ccc3N(CCN4CCC(CC4)C(=O)c4ccc(F)cc4)C(=O)OCc3c2)CC1
Fc1ccc(cc1)C(=O)C1CCN(CCN2C(=O)OCc3cc(CCCCN4CCOCC4)ccc23)CC1
COc1ccccc1N1CCN(CCCCc2ccc3n(CCN4CCC(CC4)C(=O)c4ccc(F)cc4)c(=O)oc3c2)CC1
Fc1ccc(cc1)C(=O)C1CCN(CCn2c3ccc(CCCCN4CCOCC4)cc3sc2=O)CC1
COc1ccccc1N1CCN(CCCc2ccc3n(CCN4CCC(CC4)C(=O)c4ccc(F)cc4)c(=O)sc3c2)CC1
CN1CCN(CCNC(=O)c2cc3ccc4cccnc4c3[nH]2)CC1
CC1CCCCN1CCNC(=O)c1noc-2c1CCc1sccc-21
Cc1nnc(SCc2cc(=O)n3nc(sc3n2)C2CC2)[nH]1
CCc1nnc2c(NCCC3=CCCCC3)nc3ccccc3n12 |t:10|
Cc1ccc(CCNc2nc3ccc(C)cc3n3nnnc23)cc1
CCOC(=O)c1c(C)oc2ncnc(NCCN3CCOCC3)c12
CCN(CC)CCn1c(NCc2ccncc2)nc2ccccc12
Cc1cccc(c1)C(=O)Nc1nn2c(nnc2s1)-c1ccccc1C
Cn1c2ccc(CNCCN3CCOCC3)cc2n(C)c1=O
CCn1ncc(C2=NOC(C2)C(=O)NCCN2CCOCC2)c1C |t:6|
COc1cccc(Nc2nc(nc3n(C)ncc23)N2CCN(C)CC2)c1
CN1CCN(CC1)c1nc(Nc2ccc(Cl)cc2)c2cnn(C)c2n1
CN1CCN(CC1)c1nc(Nc2ccccc2)c2cnn(C)c2n1
Cn1ncc2c(Nc3ccc(F)cc3)nc(nc12)N1CCN(CC1)c1ccc(F)cc1
CCN(CC)c1nc(Nc2ccccc2C)c2cnn(C)c2n1
Cn1ncc2c(Nc3ccc(F)cc3)nc(nc12)N1CCN(CC1)c1ccccc1
Cn1ncc2c(Nc3ccc(F)cc3)nc(nc12)N1CCN(CCO)CC1
Cn1ncc2c(Nc3ccc(F)cc3)nc(nc12)N1CCN(Cc2ccccc2)CC1
CCN(CC)c1nc(Nc2ccc(Cl)cc2)c2cnn(C)c2n1
COc1cccc(Nc2nc(nc3n(C)ncc23)N2CCN(CC2)c2ccc(F)cc2)c1
COc1ccc(Nc2nc(nc3n(C)ncc23)N2CCN(CC2)c2ccc(F)cc2)cc1
Cn1ncc2c(Nc3ccc(F)cc3)nc(nc12)N1CCCCC1
CC1CCN(CC1)c1nc(Nc2ccc(F)cc2)c2cnn(C)c2n1
COc1ccccc1N1CCN(CC1)c1nc(Nc2ccc(F)cc2)c2cnn(C)c2n1
Cn1ncc2c(Nc3ccc(F)cc3)nc(nc12)N1CCOCC1
Cn1ncc2c(Nc3ccc(F)cc3)nc(NCc3ccccc3)nc12
CCNc1nc(Nc2ccccc2)c2cnn(C)c2n1
CCCNc1nc(Nc2ccccc2)c2cnn(C)c2n1
CCNc1nc(Nc2ccc(F)cc2)c2cnn(C)c2n1
Cn1ncc2c(Nc3ccc(F)cc3)nc(NCCCO)nc12
COCCNc1nc(Nc2ccc(F)cc2)c2cnn(C)c2n1
COCCCNc1nc(Nc2ccc(F)cc2)c2cnn(C)c2n1
Cn1ncc2c(Nc3ccc(F)cc3)nc(NCC=C)nc12
Cn1ncc2c(Nc3ccc(F)cc3)nc(NC3CCCC3)nc12
Cn1ncc2c(Nc3ccc(F)cc3)nc(NCCN3CCOCC3)nc12
CN(C)CCNC(=O)c1cc2ccccc2[nH]1
COC(=O)c1cnn2c1nc([nH]c2=O)C1CCNCC1
CN(C)CCN(C(C)=O)c1nc2c(F)cccc2s1
CCOC(=O)c1noc2ncnc(N3CCN(C)CC3)c12
CN(C)CCN(C(C)=O)c1nc2cc3OCOc3cc2s1
CCc1nnc2c(NC)nc3ccccc3n12
CN1CCN(CC1)C(=O)c1oc2ccccc2c1NC(C)=O
CCN1Cc2cccc(CNc3ccc(C)c(F)c3)c2C1
CCC(=O)Nc1nn2c(nnc2s1)-c1cccc(C)c1
Cc1cc(on1)C(=O)NCCN1CCOCC1
CCCNc1nc2ccc(C)cc2n2nnnc12
Cc1ccc(cc1C)C1=NC2(CCNCC2)NC1=O |t:9|
CN(C)CCNC(=O)c1nc(no1)-c1cccnc1
Cc1cccc(CN2CCNC(=O)C2CC(O)=O)c1
Cc1noc2ncnc(NCCN3CCOCC3)c12
Cc1ccc(NC(=O)N2CCN3CCCCC3C2)cc1C
COc1ccc2c3CCN[C@](C)(C(O)=O)c3[nH]c2c1 |r|
CCc1ccccc1NC(=O)CC1NCCNC1=O
COc1cc2CC(C)(C)N3CCCC3c2cc1OC
Cc1ccccc1NC(=O)N1CCN2CCCCC2C1
Cc1noc(C(=O)NCCN2CCOCC2)c1Cl
CN1CCN(CC1)c1nc(Nc2ccc(F)cc2)c2cnn(C)c2n1
CN(C)CCNC(=O)c1ccc(s1)-n1ccc2ccccc12
CCCCN(C)CCNc1nc(C)nc2oc(C)c(C(=O)OCC)c12
CCOC(=O)c1ccc2nc(C)[nH]c(NCCN(C)C)c12
CN1CCN(CC1)C(=O)NCc1noc2ccc(C)cc12
Fc1cccc(F)c1-c1cc2[C@H]3CNCC[C@H]3N3CCCSc(c1)c23 |r|
Clc1cccc(COc2cncc(n2)N2CCNCC2)c1
CCc1cc2c(ccc3cnn(C[C@@H](C)N)c23)o1 |r|
C[C@@H]1CN(CCN1)c1ccc(c2ccoc12)C(F)(F)F |r|
CCN(CC)c1nc(Nc2ccc(F)cc2)c2cnn(C)c2n1
CC1CC(C)CN(C1)c1nc(Nc2ccc(F)cc2)c2cnn(C)c2n1
CN(C)c1nc(Nc2ccc(F)cc2)c2cnn(C)c2n1
CCN(CC)c1nc(Nc2cccc(OC)c2)c2cnn(C)c2n1
Cn1ncc2c(Nc3ccc(F)cc3)nc(NC3CCCCC3)nc12
Cc1ccc(CNc2nc(Nc3ccc(F)cc3)c3cnn(C)c3n2)cc1
CNc1nc(Nc2ccc(F)cc2)c2cnn(C)c2n1
CCN(CC)c1nc(Nc2ccc(C)c(C)c2)c2cnn(C)c2n1
CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1 |r,c:21|
CCN(CC)C(=O)[C@H]1CN[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 |r,c:21|
CCOC(=O)c1cc2cc(OCCCN3CCN(Cc4ccc5OCOc5c4)CC3)ccc2[nH]1
CCOC(=O)c1cc2cc(OCCCN3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)ccc2[nH]1
CCOC(=O)c1cc2cc(OCCCN3CCN(CC3)c3ccccn3)ccc2[nH]1
CCOC(=O)c1cc2cc(OCCCN3CCN(CC3)C(=O)c3ccco3)ccc2[nH]1
CCOC(=O)c1cc2cc(OCCCN3CCN(CC3)c3ccccc3Cl)ccc2[nH]1
CCOC(=O)c1cc2cc(OCCCN3CCN(CC3)c3ccc(OC)cc3)ccc2[nH]1
CCOC(=O)c1cc2cc(OCCCN3CCN(CC3)c3ccc(Cl)cc3)ccc2[nH]1
CCOC(=O)c1cc2cc(OCCCN3CCN(CC3)c3cccc(Cl)c3)ccc2[nH]1
CCOC(=O)c1cc2cc(OCCCN3CCN(CC3)c3ccc(Cl)c(Cl)c3)ccc2[nH]1
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|
NCCn1cc(c2cccnc12)S(=O)(=O)c1ccccc1
CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1
CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(Cl)c1
NCCn1cc(c2cccnc12)S(=O)(=O)c1cccc(Cl)c1
CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc2ccccc12
Cn1nc2CCNCCc2cc1=O
O=c1cc2CCNCCc2nn1-c1ccccc1
O=c1cc2CCNCCc2nn1CCOc1ccccc1
CC(C)CCn1nc2CCNCCc2cc1=O
Clc1ccccc1Cn1nc2CCNCCc2cc1=O
Clc1cccc(Cn2nc3CCNCCc3cc2=O)c1
Clc1ccc(Cn2nc3CCNCCc3cc2=O)cc1
O=c1cc2CCNCCc2nn1Cc1ccc(cc1)C#N
FC(F)(F)c1ccc(Cn2nc3CCNCCc3cc2=O)cc1
FC(F)(F)Oc1ccc(Cn2nc3CCNCCc3cc2=O)cc1
FC(F)(F)Oc1ccccc1Cn1nc2CCNCCc2cc1=O
O=c1cc2CCNCCc2nn1Cc1ccc(cc1)C1CC1
Cn1c2CCNCCc2c(=O)n1Cc1ccccc1
C(Oc1[nH]nc2CCNCCc12)c1ccccc1
Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCC1 |(5.77,3.8,;5.74,2.26,;6.97,1.33,;6.46,-.13,;4.92,-.09,;3.98,-1.31,;4.48,1.39,;3.03,1.9,;1.7,1.13,;.36,1.9,;-.97,1.13,;-2.3,1.9,;-2.31,3.44,;-3.64,1.13,;-4.97,1.89,;-6.31,1.12,;-7.64,1.89,;-7.64,3.44,;-8.97,4.21,;-6.31,4.21,;-4.98,3.44,;.36,3.44,;1.68,4.21,;3.03,3.44,;4.36,4.22,;4.35,5.76,;5.68,6.53,;7.02,5.77,;7.5,4.31,;9.04,4.32,;9.51,5.78,;8.26,6.68,)|
Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCC1 |(29.87,3.61,;29.84,2.07,;31.07,1.14,;30.56,-.32,;29.02,-.28,;28.09,-1.51,;28.58,1.19,;27.13,1.71,;25.8,.94,;24.47,1.71,;23.13,.94,;21.8,1.7,;21.8,3.24,;20.47,.93,;19.13,1.7,;17.8,.93,;16.46,1.7,;16.46,3.24,;15.13,4.01,;17.79,4.01,;19.13,3.25,;24.46,3.24,;25.79,4.02,;27.13,3.25,;28.46,4.02,;28.46,5.56,;29.79,6.34,;31.12,5.57,;31.6,4.11,;33.14,4.12,;33.61,5.59,;32.36,6.49,)|
Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCC1
Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCCC1 |(28.26,-6.71,;28.23,-8.25,;29.46,-9.19,;28.95,-10.64,;27.41,-10.6,;26.47,-11.83,;26.97,-9.13,;25.52,-8.61,;24.19,-9.38,;22.86,-8.61,;21.52,-9.38,;20.19,-8.62,;20.19,-7.08,;18.86,-9.39,;17.52,-8.62,;16.18,-9.39,;14.85,-8.62,;14.85,-7.08,;13.52,-6.31,;16.18,-6.31,;17.52,-7.07,;22.85,-7.08,;24.17,-6.3,;25.52,-7.07,;26.85,-6.3,;26.84,-4.76,;28.18,-3.98,;29.51,-4.75,;29.51,-6.29,;30.84,-7.05,;32.17,-6.28,;32.17,-4.74,;30.83,-3.97,)|
Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCCC1 |(4.23,-16.28,;4.2,-17.82,;5.43,-18.75,;4.92,-20.21,;3.38,-20.17,;2.44,-21.39,;2.94,-18.69,;1.49,-18.18,;.16,-18.95,;-1.18,-18.18,;-2.51,-18.95,;-3.84,-18.18,;-3.85,-16.64,;-5.18,-18.95,;-6.51,-18.19,;-7.85,-18.96,;-9.18,-18.19,;-9.18,-16.64,;-10.51,-15.87,;-7.85,-15.87,;-6.52,-16.64,;-1.18,-16.64,;.14,-15.87,;1.49,-16.64,;2.82,-15.86,;2.81,-14.32,;4.14,-13.55,;5.48,-14.31,;5.48,-15.85,;6.81,-16.62,;8.14,-15.85,;8.14,-14.31,;6.8,-13.53,)|
Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCCC1
Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCOCC1 |(4.32,-25.83,;4.29,-27.37,;5.52,-28.3,;5.01,-29.76,;3.47,-29.72,;2.54,-30.95,;3.03,-28.25,;1.58,-27.73,;.25,-28.5,;-1.08,-27.73,;-2.42,-28.5,;-3.75,-27.73,;-3.75,-26.19,;-5.08,-28.51,;-6.42,-27.74,;-7.75,-28.51,;-9.09,-27.74,;-9.09,-26.2,;-10.42,-25.43,;-7.76,-25.42,;-6.42,-26.19,;-1.09,-26.2,;.24,-25.42,;1.58,-26.19,;2.91,-25.41,;2.91,-23.87,;4.24,-23.1,;5.57,-23.87,;5.57,-25.4,;6.9,-26.17,;8.24,-25.4,;8.23,-23.86,;6.9,-23.08,)|
Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCOCC1 |(29.57,-25.86,;29.54,-27.4,;30.77,-28.33,;30.26,-29.79,;28.72,-29.75,;27.78,-30.98,;28.28,-28.28,;26.83,-27.76,;25.5,-28.53,;24.16,-27.76,;22.83,-28.53,;21.5,-27.77,;21.49,-26.23,;20.16,-28.54,;18.83,-27.77,;17.49,-28.54,;16.16,-27.77,;16.16,-26.23,;14.83,-25.46,;17.49,-25.46,;18.82,-26.22,;24.16,-26.23,;25.48,-25.45,;26.83,-26.22,;28.16,-25.45,;28.15,-23.91,;29.48,-23.13,;30.82,-23.9,;30.82,-25.44,;32.15,-26.2,;33.48,-25.43,;33.48,-23.89,;32.14,-23.12,)|
Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCOCC1
CCN(CC)CCOc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1ccnn1C
CCN(CC)CCCOc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1ccnn1C
Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCCN1CCOCC1
Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCSCC1
Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCOCC1
Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCNCC1
CN1CCN(CCOc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2-c2ccnn2C)CC1
CC(=O)N1CCN(CCOc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2-c2ccnn2C)CC1
Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCC(O)CC1
COC1CCN(CCOc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2-c2ccnn2C)CC1
Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCC1
COC1CN(CCOc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2-c2ccnn2C)C1
CC1CCCCN1CCOc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1ccnn1C
C[C@H]1CCC[C@@H](C)N1CCOc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1ccnn1C |r|
Cn1nccc1-c1cc(NC(=O)Nc2ccccc2)ccc1OCCN1CCCCC1
Cn1nccc1-c1cc(NC(=O)Nc2ccccc2Cl)ccc1OCCN1CCCCC1
Cn1nccc1-c1cc(NC(=O)Nc2cccc(Cl)c2)ccc1OCCN1CCCCC1
Cn1nccc1-c1cc(NC(=O)Nc2ccccc2F)ccc1OCCN1CCCCC1
Cn1nccc1-c1cc(NC(=O)Nc2cccc(F)c2)ccc1OCCN1CCCCC1
Cn1nccc1-c1cc(NC(=O)Nc2ccc(F)cc2)ccc1OCCN1CCCCC1
Cc1ccc(NC(=O)Nc2ccc(OCCN3CCCCC3)c(c2)-c2ccnn2C)cc1
COc1cccc(NC(=O)Nc2ccc(OCCN3CCCCC3)c(c2)-c2ccnn2C)c1
COc1ccc(NC(=O)Nc2ccc(OCCN3CCCCC3)c(c2)-c2ccnn2C)cc1
Cn1nccc1-c1cc(NC(=O)Nc2cccc(c2)C(F)(F)F)ccc1OCCN1CCCCC1
Cn1nccc1-c1cc(NC(=O)Nc2ccc(cc2)C(F)(F)F)ccc1OCCN1CCCCC1
CC(=O)c1cccc(NC(=O)Nc2ccc(OCCN3CCCCC3)c(c2)-c2ccnn2C)c1
Cn1nccc1-c1cc(NC(=O)Nc2ccc(F)cc2F)ccc1OCCN1CCCCC1
Cc1ccc(F)c(NC(=O)Nc2ccc(OCCN3CCCCC3)c(c2)-c2ccnn2C)c1
Cn1nccc1-c1cc(NC(=O)Nc2cc(F)cc(F)c2)ccc1OCCN1CCCCC1
CCN(CC)CCOc1ccc(NC(=O)Nc2ccc(F)cc2)cc1-c1ccnn1C
Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(F)cc2F)ccc1OCCN1CCCC1 |(28.77,-15.18,;28.73,-16.71,;29.96,-17.65,;29.45,-19.1,;27.91,-19.07,;26.98,-20.29,;27.47,-17.59,;26.02,-17.07,;24.69,-17.84,;23.36,-17.07,;22.03,-17.85,;20.69,-17.08,;20.69,-15.54,;19.36,-17.85,;18.03,-17.08,;18.02,-15.53,;16.69,-14.77,;15.36,-15.54,;14.02,-14.77,;15.35,-17.08,;16.69,-17.85,;16.69,-19.39,;23.35,-15.54,;24.68,-14.76,;26.02,-15.53,;27.35,-14.76,;27.35,-13.22,;28.68,-12.44,;30.02,-13.21,;30.19,-14.73,;31.69,-15.05,;32.46,-13.71,;31.42,-12.57,)|
Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2ccc(F)cc2F)ccc1OCCN1CCCC1 |(4.41,-24.98,;4.38,-26.52,;5.61,-27.45,;5.1,-28.91,;3.56,-28.87,;2.62,-30.1,;3.12,-27.4,;1.67,-26.88,;.34,-27.65,;-1,-26.88,;-2.33,-27.65,;-3.66,-26.88,;-3.67,-25.35,;-5,-27.66,;-6.33,-26.89,;-6.34,-25.34,;-7.67,-24.58,;-9,-25.35,;-10.33,-24.58,;-9,-26.89,;-7.67,-27.66,;-7.67,-29.2,;-1.01,-25.35,;.32,-24.57,;1.66,-25.34,;3,-24.56,;2.99,-23.03,;4.32,-22.25,;5.66,-23.02,;5.83,-24.54,;7.34,-24.85,;8.1,-23.52,;7.07,-22.38,)|
Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(F)cc2)ccc1OCCN1CCCC1 |(28.29,-24.64,;28.25,-26.18,;29.48,-27.11,;28.97,-28.57,;27.43,-28.53,;26.5,-29.76,;26.99,-27.06,;25.54,-26.54,;24.21,-27.31,;22.88,-26.54,;21.55,-27.31,;20.21,-26.54,;20.21,-25,;18.88,-27.32,;17.55,-26.55,;16.21,-27.32,;14.87,-26.55,;14.88,-25.01,;13.54,-24.24,;16.21,-24.23,;17.54,-25,;22.87,-25.01,;24.2,-24.23,;25.54,-25,;26.87,-24.22,;26.87,-22.68,;28.2,-21.91,;29.54,-22.68,;29.71,-24.2,;31.22,-24.51,;31.98,-23.18,;30.95,-22.04,)|
Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(O)cc2)ccc1OCCN1CCCC1 |(4.26,-34.54,;4.23,-36.08,;5.46,-37.01,;4.95,-38.46,;3.41,-38.43,;2.47,-39.65,;2.97,-36.95,;1.52,-36.43,;.19,-37.2,;-1.15,-36.43,;-2.48,-37.21,;-3.81,-36.44,;-3.81,-34.9,;-5.14,-37.21,;-6.48,-36.44,;-7.82,-37.21,;-9.15,-36.44,;-9.15,-34.9,;-10.48,-34.13,;-7.82,-34.13,;-6.49,-34.89,;-1.15,-34.9,;.17,-34.12,;1.52,-34.89,;2.85,-34.12,;2.84,-32.58,;4.18,-31.8,;5.51,-32.57,;5.68,-34.09,;7.19,-34.41,;7.96,-33.07,;6.92,-31.93,)|
Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2ccc(F)cc2F)ccc1OCCN1CCOCC1 |(27.36,-35.94,;27.33,-37.48,;28.56,-38.41,;28.05,-39.87,;26.51,-39.83,;25.57,-41.06,;26.07,-38.36,;24.62,-37.84,;23.29,-38.61,;21.95,-37.84,;20.62,-38.61,;19.29,-37.85,;19.29,-36.31,;17.96,-38.62,;16.62,-37.85,;16.61,-36.3,;15.28,-35.54,;13.95,-36.31,;12.62,-35.54,;13.95,-37.85,;15.28,-38.62,;15.28,-40.16,;21.95,-36.31,;23.27,-35.53,;24.62,-36.3,;25.95,-35.53,;25.94,-33.99,;27.28,-33.21,;28.61,-33.97,;29.37,-35.3,;30.89,-35.31,;31.67,-33.99,;30.9,-32.66,;29.37,-32.65,)|
Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2cc(F)cc(F)c2)ccc1OCCN1CCOCC1 |(4.32,-45.59,;4.29,-47.13,;5.52,-48.06,;5.01,-49.52,;3.47,-49.48,;2.54,-50.7,;3.03,-48,;1.58,-47.49,;.25,-48.26,;-1.08,-47.49,;-2.42,-48.26,;-3.75,-47.49,;-3.75,-45.95,;-5.08,-48.26,;-6.42,-47.49,;-7.75,-48.27,;-9.09,-47.5,;-10.42,-48.26,;-9.09,-45.95,;-7.76,-45.18,;-7.76,-43.64,;-6.42,-45.94,;-1.09,-45.95,;.24,-45.18,;1.58,-45.94,;2.91,-45.17,;2.91,-43.63,;4.24,-42.86,;5.57,-43.62,;6.33,-44.95,;7.86,-44.95,;8.63,-43.63,;7.87,-42.3,;6.33,-42.29,)|
Cn1nccc1-c1cc(NC(=O)Nc2cccc(F)c2)ccc1OCCN1CCOCC1
Cn1c(nc(CCc2cccc(Cl)c2)cc1=O)N1CCNCC1
C[C@@H]1CNCCN1c1ccc(=O)n(CCOc2ccccc2C(F)(F)F)n1 |r|
Cc1cc(=O)n(CCCOc2ccccc2)c(n1)N1CCNCC1
Cc1cc(=O)n(CCCOc2ccccc2F)c(n1)N1CCNCC1
Cc1cc(=O)n(CCCOc2cccc(F)c2)c(n1)N1CCNCC1
Cc1cc(=O)n(CCCOc2ccc(F)cc2)c(n1)N1CCNCC1
Cc1cc(=O)n(CCCOc2ccccc2Cl)c(n1)N1CCNCC1
Cc1cc(=O)n(CCCOc2cccc(Cl)c2)c(n1)N1CCNCC1
Cc1cc(=O)n(CCCOc2ccc(Cl)cc2)c(n1)N1CCNCC1
C[C@@H]1CNCCN1c1nc(C)cc(=O)n1CCCOc1ccccc1 |r|
Cn1c(CCc2ccccc2)nc(cc1=O)N1CCNCC1
Cn1c(CCc2cccc(Cl)c2)nc(cc1=O)N1CCNCC1
C[C@@H]1CNCCN1c1cc(=O)n(C)c(CCc2ccccc2)n1 |r|
C[C@@H]1CNCCN1c1cc(=O)n(C)c(CCc2cccc(Cl)c2)n1 |r|
C[C@@H]1CNCCN1c1cc(=O)n(C)c(CCc2ccccc2Cl)n1 |r|
C[C@@H]1CNCCN1c1cc(=O)n(C)c(CCc2ccccc2C)n1 |r|
C[C@@H]1CNCCN1c1cc(=O)n(C)c(CCc2ccccc2C(F)(F)F)n1 |r|
Cc1cc(=O)n(CCCc2ccccc2)c(n1)N1CCNCC1
Cc1cc(=O)n(CCCOCc2ccccc2)c(n1)N1CCNCC1
CCn1c(CCc2ccccc2Cl)nc(cc1=O)N1CCNCC1
Cn1c(COc2ccccc2C(F)(F)F)nc(cc1=O)N1CCNCC1
Cn1c(COc2ccccc2Cl)nc(cc1=O)N1CCNCC1
Cc1ccccc1OCc1nc(cc(=O)n1C)N1CCNCC1
Cn1c(COc2cccc(c2)C(F)(F)F)nc(cc1=O)N1CCNCC1
Cn1c(COc2cccc(Cl)c2)nc(cc1=O)N1CCNCC1
Cn1c(COc2cccc(c2)C#N)nc(cc1=O)N1CCNCC1
Cn1c(COc2ccc(cc2)C(F)(F)F)nc(cc1=O)N1CCNCC1
Cn1c(COc2ccc(Cl)cc2)nc(cc1=O)N1CCNCC1
Cc1ccc(F)cc1OCc1nc(cc(=O)n1C)N1CCNCC1
Cc1ccc(Cl)cc1OCc1nc(cc(=O)n1C)N1CCNCC1
Cn1c(COc2cc(F)ccc2Cl)nc(cc1=O)N1CCNCC1
CCn1c(COc2cccc(c2)C#N)nc(cc1=O)N1CCNCC1
CCn1c(COc2cc(F)ccc2Cl)nc(cc1=O)N1CCNCC1
Clc1ccccc1CCOc1cncc(n1)N1CCNCC1
Clc1ccccc1OCCn1nc(ccc1=O)N1CCNCC1
Cc1cc(nn(CCOc2ccccc2Cl)c1=O)N1CCNCC1
Clc1ccccc1OCCn1nc(N2CCNCC2)c2CCCc2c1=O
Cc1cc(=O)n(CCOc2ccccc2Cl)nc1N1CCNCC1
C[C@@H]1CNCCN1c1ccc(=O)n(CCOc2ccccc2Cl)n1 |r|
C[C@H]1CNCCN1c1ccc(=O)n(CCOc2ccccc2Cl)n1 |r|
CC[C@@H]1CNCCN1c1ccc(=O)n(CCOc2ccccc2Cl)n1 |r|
Clc1ccccc1OCCn1nc(ccc1=O)N1CCNCC1C=O
C[C@H]1CN(CCN1)c1ccc(=O)n(CCOc2ccccc2Cl)n1 |r|
C[C@H](COc1ccccc1Cl)n1nc(ccc1=O)N1CCNCC1 |r|
C[C@@H](COc1ccccc1Cl)n1nc(ccc1=O)N1CCNCC1 |r|
C[C@H](Cn1nc(ccc1=O)N1CCNCC1)Oc1ccccc1Cl |r|
C[C@@H](Cn1nc(ccc1=O)N1CCNCC1)Oc1ccccc1Cl |r|
Clc1ccc(OCCn2nc(ccc2=O)N2CCNCC2)cc1
Clc1cccc(OCCn2nc(ccc2=O)N2CCNCC2)c1
O=c1ccc(nn1CCOc1ccccc1)N1CCNCC1
Clc1cccc(OCCn2nc(ccc2=O)N2CCNCC2)c1Cl
O=c1ccc(nn1CCOc1ccccc1C#N)N1CCNCC1
Cc1ccccc1OCCn1nc(ccc1=O)N1CCNCC1
FC(F)(F)c1ccccc1OCCn1nc(ccc1=O)N1CCNCC1
COc1ccccc1OCCn1nc(ccc1=O)N1CCNCC1
Brc1ccccc1OCCn1nc(ccc1=O)N1CCNCC1
CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
c1c[nH]c2c1c(ncn2)N3CCNCC3
C1CN(CCN1)c1nccc2occc12
Clc1ccccc1OC1CCc2ccc(nc12)N1CCNCC1
Clc1ccccc1O[C@H]1CCCc2ccc(nc12)N1CCNCC1 |r|
COc1nc(nc2CCCCc12)N1CCNCC1
C1CN(CCN1)c1ncnc2sccc12
Clc1nc(nc2sccc12)N1CCNCC1
Clc1ccccc1O[C@@H]1CCCc2ccc(nc12)N1CCNCC1 |r|
Cc1cc2c(ncnc2o1)N1CCNCC1
C1CN(CCN1)c1ncnc2ccsc12
Brc1cn2ccnc2c(n1)N1CCNCC1
C[C@@H]1CNCCN1c1ccc2CC[C@H](OCc3cc(F)ccc3C)c2n1 |r|
Clc1cccc(COc2nc(nc3sccc23)N2CCNCC2)c1
C1CCc2nc(ccc2C1)N1CCNCC1
Clc1cccc(COc2nc(nc3ccsc23)N2CCNCC2)c1
CCCn1cnc2c(ncnc12)N1CCNCC1
Fc1ccc(F)c(CO[C@H]2CCc3ccc(nc23)N2CCNCC2)c1 |r|
C1CN(CCN1)c1nccc2sccc12
Clc1ccccc1O[C@@H]1CCc2ccc(nc12)N1CCNCC1 |r|
Clc1ccccc1O[C@H]1CCc2ccc(nc12)N1CCNCC1 |r|
C[C@@H]1CNCCN1c1ccc2CC[C@H](OCc3cc(F)ccc3F)c2n1 |r|
C1CN(CCN1)c1ncnc2c3ccccc3sc12
Clc1cccc(COc2nc(nc3nc[nH]c23)N2CCNCC2)c1
C1CN(CCN1)c1nccc2ccccc12
Clc1nc(N2CCNCC2)c2scc(-c3ccccc3)c2n1
Cc1csc2c(OCc3cccc(Cl)c3)nc(nc12)N1CCNCC1
C[C@@H]1CNCCN1c1ccc2CC[C@H](Oc3ccccc3Cl)c2n1 |r|
Fc1cccc(O[C@H]2CCc3ccc(nc23)N2CCNCC2)c1 |r|
Clc1nc(N2CCNCC2)c2c3CCCCc3sc2n1
Cn1cnc2nc(OCc3ccccc3)nc(N3CCNCC3)c12
O=S(=O)(N(CCCN1CCN(CC1)c1ccccc1)CC1CCCCC1)c1cccc2ccccc12
FC(F)(F)c1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1)CC1CCCCC1
Fc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1)CC1CCCCC1
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1)CC1CCCCC1
COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1)CC1CCCCC1
COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1OC)CC1CCCCC1
COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1cccc(c1)C(F)(F)F)CC1CCCCC1
COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccc(F)cc1)CC1CCCCC1
O=S(=O)(N(CCCN1CCN(CC1)c1ccccc1)CC1CCCCC1)c1ccc2ccccc2c1
COc1ccccc1N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2ccc3ccccc3c2)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2ccc3ccccc3c2)CC1
Fc1ccc(cc1)N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2ccc3ccccc3c2)CC1
O=S(=O)(N(CCCN1CCN(CC1)c1ccccc1)CC1CCCCC1)c1cccc2cccnc12
COc1ccccc1N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2cccc3cccnc23)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2cccc3cccnc23)CC1
Fc1ccc(cc1)N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2cccc3cccnc23)CC1
Clc1ccc(cc1Cl)N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2cccc3cccnc23)CC1
O=S(=O)(N(CCCN1CCN(CC1)c1ccccc1)CC1CC1)c1cccc2ccccc12
FC(F)(F)c1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1)CC1CC1
Fc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1)CC1CC1
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1)CC1CC1
COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1)CC1CC1
COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1OC)CC1CC1
COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1cccc(c1)C(F)(F)F)CC1CC1
COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccc(F)cc1)CC1CC1
O=S(=O)(N(CCCN1CCN(CC1)c1ccccc1)CC1CC1)c1ccc2ccccc2c1
COc1ccccc1N1CCN(CCCN(CC2CC2)S(=O)(=O)c2ccc3ccccc3c2)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCN(CC2CC2)S(=O)(=O)c2ccc3ccccc3c2)CC1
Fc1ccc(cc1)N1CCN(CCCN(CC2CC2)S(=O)(=O)c2ccc3ccccc3c2)CC1
O=S(=O)(N(CCCN1CCN(CC1)c1ccccc1)CC1CC1)c1cccc2cccnc12
COc1ccccc1N1CCN(CCCN(CC2CC2)S(=O)(=O)c2cccc3cccnc23)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCN(CC2CC2)S(=O)(=O)c2cccc3cccnc23)CC1
Fc1ccc(cc1)N1CCN(CCCN(CC2CC2)S(=O)(=O)c2cccc3cccnc23)CC1
CC(CCN1CCN(CC1)c1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1
COc1ccccc1N1CCN(CCC(C)NS(=O)(=O)c2ccc3ccccc3c2)CC1
CC(CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)NS(=O)(=O)c1ccc2ccccc2c1
CC(CCN1CCN(CC1)c1ccc(F)cc1)NS(=O)(=O)c1ccc2ccccc2c1
O=C1NC2CNCCN2c2ccccc12
Cc1cccc2N3CCNCC3NC(=O)c12
Cc1ccc2N3CCNCC3NC(=O)c2c1
Cc1ccc2C(=O)NC3CNCCN3c2c1
Cc1cccc2C(=O)NC3CNCCN3c12
Clc1cccc2N3CCNCC3NC(=O)c12
Clc1ccc2N3CCNCC3NC(=O)c2c1
FC(F)(F)c1cccc2N3CCNCC3NC(=O)c12
Clc1cccc2C(=O)NC3CNCCN3c12
O=C1NC2CCNCCN2c2ccccc12
Cc1cccc2N3CCNCCC3NC(=O)c12
Clc1cccc2N3CCNCCC3NC(=O)c12
Cc1ccc2C(=O)NC3CCNCCN3c2c1
Clc1cccc2N3CCCNCC3NC(=O)c12
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
COc1cc(OC2CCC(C)(C)CC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 |r|
CC1(C)CCC(CC1)Oc1cc(F)c(CNC(=O)[C@@H]2CCCN2)cc1F |r|
C[C@H]1CC[C@H](CC1)Oc1c(F)cc(CNC(=O)[C@@H]2CCCN2)cc1F |r,wU:17.17,wD:4.7,1.0,(-10.94,-38.56,;-9.61,-39.33,;-9.61,-40.88,;-8.28,-41.66,;-6.95,-40.88,;-6.94,-39.34,;-8.27,-38.57,;-5.62,-41.65,;-4.28,-40.88,;-4.28,-39.34,;-5.61,-38.57,;-2.95,-38.57,;-1.62,-39.33,;-.29,-38.56,;1.05,-39.32,;2.38,-38.55,;2.38,-37.01,;3.72,-39.31,;3.68,-40.85,;5.13,-41.37,;6.07,-40.15,;5.2,-38.88,;-1.61,-40.88,;-2.95,-41.66,;-2.95,-43.2,)|
COc1cc(OCC2CCCCC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 |r|
Fc1cc(ccc1CNC(=O)N1CCNCC1)-c1ccc(Cl)cc1
C[C@H]1CNC[C@@H](C)N1C(=O)OCc1ccccc1 |r|
FC(F)(F)Oc1ccc(CNC(=O)[C@@H]2CCCN2)cc1 |r|
FC(F)(F)Oc1ccc(CNC(=O)C2CCNC2)cc1
NCc1cccc(c1)C(=O)NCc1ccc(OC(F)(F)F)cc1
O=C(NCc1ccc(cc1)C1CCCCC1)[C@@H]1CCCN1 |r|
Clc1cc(Cl)cc(c1)-c1ccc(CNC(=O)[C@@H]2CCCN2)cc1 |r|
Fc1cccc(Oc2ccc(CNC(=O)[C@@H]3CCCN3)cc2)c1 |r|
O=C(NCc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN1 |r|
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(CCC2CCN(CC2)C(=O)c2ccccc2)C1 |r|
Fc1ccccc1C(=O)N1CCC(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1 |r|
Fc1ccc(F)c(c1)C(=O)N1CCC(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1 |r|
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(CCC2CCN(CC2)C(=O)c2ccccc2Cl)C1 |r|
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(CCN2CCN(CC2)C(=O)c2ccccc2)C1 |r|
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(CCN2CCN(CC2)C(=O)c2ccccc2Cl)C1 |r|
Fc1ccccc1C(=O)N1CCN(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1 |r|
Fc1ccc(F)c(c1)C(=O)N1CCN(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1 |r|
CN1CCc2c(C1)c1cc(C)ccc1n2CCc1ccc(C)nc1
CN1CCc2[nH]c3ccc(cc3c2C1)S(=O)(=O)Nc1cccc(F)c1
CCOc1ccccc1N1CCN(CCCN=C(NC#N)c2ccncc2)CC1 |w:16.16|
Cn1nccc1-c1cc(NC(=O)c2ccc(cc2)C(F)(F)F)ccc1OCCN1CCCC1
Cn1nccc1-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1OCCN1CCCC1
Cn1nccc1-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1OCCN1CCC(F)(F)C1
Cn1nccc1-c1cc(NC(=O)c2ccc(F)cc2F)ccc1OCCN1CCOCC1
Cn1nccc1-c1cc(NC(=O)c2cccc(F)c2)ccc1OCCN1CCOCC1
Cn1nccc1-c1cc(NC(=O)c2ccc(F)cc2)ccc1OCCN1CCOCC1
Cn1ncc(Cl)c1-c1cc(NC(=O)c2cccc(F)c2)ccc1OCCN1CCOCC1 |(-5.98,-34.34,;-5.66,-35.84,;-6.69,-36.99,;-5.92,-38.32,;-4.41,-38,;-3.26,-39.03,;-4.25,-36.47,;-2.92,-35.7,;-1.59,-36.48,;-.25,-35.7,;1.09,-36.47,;2.42,-35.7,;2.42,-34.16,;3.75,-36.47,;3.75,-38,;5.08,-38.77,;6.41,-38,;6.41,-36.45,;7.74,-35.67,;5.07,-35.69,;-.26,-34.15,;-1.59,-33.39,;-2.92,-34.16,;-4.25,-33.39,;-4.25,-31.85,;-5.59,-31.08,;-5.59,-29.54,;-4.25,-28.77,;-4.25,-27.24,;-5.58,-26.46,;-6.92,-27.23,;-6.92,-28.77,)|
Cn1nccc1-c1cc(NC(=O)c2ccc(cc2)C(F)(F)F)ccc1OCCN1CCOCC1
Cn1nccc1-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1OCCN1CCOCC1
Cn1nccc1-c1cc(NC(=O)c2ccc(F)c(F)c2)ccc1OCCN1CCOCC1
COc1cccc(c1)C(=O)Nc1ccc(OCCN2CCOCC2)c(c1)-c1ccnn1C
Cn1nccc1-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1OCCN1CCNC(=O)C1
Cn1ncc(Cl)c1-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1OCCN1CCNC(=O)C1 |(-5.14,-22.2,;-4.83,-23.71,;-5.86,-24.85,;-5.09,-26.19,;-3.58,-25.86,;-2.43,-26.89,;-3.42,-24.34,;-2.09,-23.57,;-.75,-24.34,;.58,-23.57,;1.92,-24.34,;3.25,-23.57,;3.25,-22.03,;4.58,-24.33,;4.58,-25.87,;5.91,-26.64,;7.25,-25.87,;7.24,-24.32,;5.9,-23.56,;8.57,-23.54,;9.91,-24.3,;8.56,-22,;9.89,-22.76,;.58,-22.02,;-.76,-21.26,;-2.09,-22.03,;-3.42,-21.26,;-3.42,-19.72,;-4.76,-18.95,;-4.76,-17.41,;-3.42,-16.64,;-3.42,-15.1,;-4.75,-14.33,;-6.09,-15.09,;-7.42,-14.32,;-6.09,-16.64,)|
CC(=O)N1CCN(CCOc2ccc(NC(=O)c3cccc(c3)C(F)(F)F)cc2-c2ccnn2C)CC1
CC(=O)N1CCN(CCOc2ccc(NC(=O)c3cccc(F)c3)cc2-c2ccnn2C)CC1
CC(=O)N1CCN(CCOc2ccc(NC(=O)c3cccc(F)c3)cc2-c2c(Cl)cnn2C)CC1 |(-8.55,-30.04,;-9.88,-30.81,;-11.22,-30.03,;-9.89,-32.35,;-8.56,-33.12,;-8.56,-34.66,;-9.9,-35.43,;-9.9,-36.97,;-8.56,-37.74,;-8.56,-39.28,;-7.23,-40.05,;-5.9,-39.28,;-4.56,-40.04,;-4.56,-41.59,;-3.22,-42.36,;-1.89,-41.59,;-1.89,-40.05,;-.56,-42.36,;-.56,-43.89,;.77,-44.66,;2.1,-43.89,;2.1,-42.34,;3.43,-41.56,;.76,-41.58,;-5.9,-42.36,;-7.23,-41.59,;-8.56,-42.36,;-8.72,-43.89,;-7.57,-44.91,;-10.23,-44.21,;-11,-42.88,;-9.97,-41.73,;-10.28,-40.22,;-11.25,-34.66,;-11.24,-33.12,)|
COc1cccc(c1)C(=O)Nc1ccc(OCCN2CCN(CC2)C(C)=O)c(c1)-c1ccnn1C
COc1cccc(c1)C(=O)Nc1ccc(OCCN2CCN(CC2)C(N)=O)c(c1)-c1ccnn1C
COc1cccc(c1)C(=O)Nc1ccc(OCCN2CCN(CC2)S(C)(=O)=O)c(c1)-c1ccnn1C
COc1cccc(c1)C(=O)Nc1ccc(OCCNCCO)c(c1)-c1ccnn1C
COc1cccc(c1)C(=O)Nc1ccc(OCCN)c(c1)-c1ccnn1C
CC(O)c1ccccc1S(=O)(=O)c1ccc(\C=C\c2ccc(F)cc2)cc1
Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2cccc3cccnc23)c(F)c1
Fc1ccc(\C=C\c2ccc(cc2)S(=O)(=O)c2ccccc2)c(F)c1
Fc1ccc(CCc2ccc(cc2)S(=O)(=O)c2ccccc2)c(F)c1
NC(=O)c1ccccc1S(=O)(=O)c1ccc(\C=C\c2ccc(F)cc2F)cc1
NC(=O)c1cccc(c1)S(=O)(=O)c1ccc(\C=C\c2ccc(F)cc2F)cc1
NC(=O)c1ccc(cc1)S(=O)(=O)c1ccc(\C=C\c2ccc(F)cc2F)cc1
C[C@H](O)c1ccccc1S(=O)(=O)c1ccc(\C=C\c2ccc(F)cc2)cc1 |r|
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
Fc1ccc(CCN2CCN(CC2)C(=O)c2cccc3c(c[nH]c23)C#N)cc1
COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Br)cnn1C |(4.32,-10.34,;4.33,-11.88,;3,-12.66,;1.65,-11.89,;.32,-12.66,;.33,-14.2,;-1,-14.97,;-2.33,-14.2,;-2.34,-12.66,;-3.67,-14.97,;-5,-14.21,;-6.34,-14.98,;-7.67,-14.21,;-7.67,-12.66,;-9.01,-11.89,;-6.34,-11.89,;-5.01,-12.66,;-3.68,-11.88,;1.67,-14.97,;3,-14.2,;4.33,-14.97,;4.09,-16.48,;2.72,-17.18,;5.46,-17.18,;6.55,-16.08,;5.84,-14.71,;6.54,-13.34,)|
COc1ccc(NC(=O)N2CCN(CCc3ccc(F)cc3)CC2)cc1-c1c(Cl)cnn1C |(-7.16,5.97,;-7.15,4.43,;-5.82,3.66,;-4.5,4.43,;-3.16,3.67,;-3.15,2.12,;-1.82,1.35,;-.48,2.12,;-.49,3.66,;.85,1.35,;2.17,2.13,;3.51,1.35,;3.51,-.19,;4.84,-.96,;6.17,-.19,;7.5,-.97,;8.82,-.21,;10.15,-.97,;10.15,-2.52,;11.48,-3.29,;8.82,-3.29,;7.49,-2.51,;2.17,-.96,;.84,-.19,;-4.49,1.35,;-5.82,2.12,;-7.16,1.35,;-7.09,-.18,;-5.81,-1.03,;-8.54,-.72,;-9.49,.49,;-8.64,1.77,;-9.17,3.22,)|
Fc1ccc(CCN2CCN(CC2)C(=O)Nc2[nH]ncc2Br)cc1
Cn1cc(Br)c(n1)C(=O)N1CCN(CCc2ccc(F)cc2)CC1
Cn1cc(Br)c(n1)C(=O)N1CCN(CCc2ccccc2)CC1
Cn1cc(Br)c(n1)C(=O)N1CCN(CCc2ccccc2F)CC1
Cn1cc(Br)c(n1)C(=O)N1CCN(CCc2cccc(F)c2)CC1
Cn1cc(Br)c(n1)C(=O)N1CCN(CCc2ccc(Cl)cc2)CC1
COc1ccc(CCN2CCN(CC2)C(=O)c2nn(C)cc2Br)cc1
Cn1cc(Br)c(n1)C(=O)N1CCN(CCc2ccc(F)cc2F)CC1
Cc1nc2CCCCn2c(=O)c1CCN1CCN(CC1)C(=O)c1nn(C)cc1Br
Cn1cc(Br)c(n1)C(=O)N1CCN(CCN2C(=O)c3ccccc3C2=O)CC1
Cn1cc(Br)c(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1
Cn1cc(Br)c(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2F)CC1
Cn1cc(Br)c(n1)C(=O)N1CCN(CC(=O)c2ccccc2F)CC1
Cn1cc(Br)c(n1)C(=O)N1CCN(CC(=O)c2ccc(cc2)C(F)(F)F)CC1
Cn1cc(Br)c(n1)C(=O)N1CCN(CC(=O)c2ccc(OC(F)(F)F)cc2)CC1
Cn1cc(Br)c(n1)C(=O)N1CCN(CC(O)c2ccc(F)cc2)CC1
CO\N=C(\CN1CCN(CC1)C(=O)c1nn(C)cc1Br)c1ccc(F)cc1
Cn1ccc(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1
Cc1c(Br)c(nn1C)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1
Cc1n[nH]c(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)c1Br
Cc1cc([nH]n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1
Cc1cc(nn1C)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1
Cc1cc(nn1C(C)(C)C)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1
Cn1cc(Cl)c(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1
CCn1cc(Cl)c(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1
Fc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1[nH]ncc1Cl
Cn1cc(c(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1)C(F)(F)F
Cn1cc(I)c(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1
Cc1cc(nn1-c1ccccc1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1
CCCN(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
CN1CCN(CC1)c1cccc(c1)N(CC1CCCC1)S(=O)(=O)c1ccc2ccccc2c1
CCN(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
CC(C)N(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccccc1
CN1CCN(CC1)c1cccc(c1)N(Cc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1
CN1CCN(CC1)c1cccc(c1)N(Cc1cccnc1)S(=O)(=O)c1ccc2ccccc2c1
CN(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
CC(C)N(C(=O)c1cccc2ccccc12)c1cccc(c1)N1CCN(C)CC1
CC(C)N(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1cccc2ccccc12
CC(C)N(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc(C)cc1
CCC(CC)N(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
CCC(C)N(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
CC(C)N(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)cc1
CC(C)N(C(=O)c1ccc2ccccc2c1)c1cccc(c1)N1CCN(C)CC1
CC(C)N(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
CC(C)N(c1cccc(I)c1)S(=O)(=O)c1ccc2ccccc2c1
CC(C)N(c1ccc(cc1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
CC(C)N(C(=O)c1ccccc1)c1cccc(c1)N1CCN(C)CC1
CC(C)N(c1ccccc1N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
CN1CCN(CC1)c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1
CC(C)N(C(=O)c1ccc(Cl)cc1)c1cccc(c1)N1CCN(C)CC1
CC(C)N(c1ccc(Oc2cccnc2)nc1)S(=O)(=O)c1ccc2ccccc2c1
CC(C)N(Cc1ccccc1)c1cccc(c1)N1CCN(C)CC1
CC(C)N(C(=O)Nc1ccccc1)c1cccc(c1)N1CCN(C)CC1
CC(C)N(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
CN1CCN(CC1)c1cccc(c1)N(CC1CC1)S(=O)(=O)c1ccc2ccccc2c1
Fc1ccc2SCC3CON(C3c2c1)C(=O)Nc1ccccc1
CC(C)NC(=O)N1OCC2CSc3ccc(F)cc3C12
CCCNC(=O)N1OCC2CSc3ccc(F)cc3C12
Fc1ccc2SCC3CON(C3c2c1)C(=O)NC1CCCCC1
CCCCNC(=O)N1OCC2CSc3ccc(F)cc3C12
O=C(Nc1ccccc1)N1OCC2COc3ccccc3C12
CC(C)NC(=O)N1OCC2COc3ccccc3C12
CCCNC(=O)N1OCC2COc3ccccc3C12
O=C(NC1CCCCC1)N1OCC2COc3ccccc3C12
CC(C)(C)NC(=O)N1OCC2COc3ccccc3C12
CCCCNC(=O)N1OCC2COc3ccccc3C12
Cc1ccccc1NC(=O)N1OCC2COc3ccccc3C12
C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
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
Cn1nnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Cn1cc(nn1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
NCc1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
CC(=O)NCc1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(Cl)cc12
CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12
CN1CCN(CC1)[C@@H]1Cc2ccccc2Sc2ccc(CNC(C)=O)cc12 |r|
CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(CNC(C)=O)cc12 |r|
CC(C)C(=O)NCc1ccc2Sc3ccccc3C[C@@H](N3CCN(C)CC3)c2c1 |r|
CC(C)C(=O)NCc1ccc2Sc3ccccc3C[C@H](N3CCN(C)CC3)c2c1 |r|
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
CN1CCN(CC1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1ccccc1
CN1CCN(CC1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12
O=S(=O)(c1n[nH]c2ccc(cc12)N1CCNCC1)c1cccc2ccccc12
Cn1nc(c2cc(ccc12)N1CCNCC1)S(=O)(=O)c1cccc2ccccc12
CC(C)n1nc(c2cc(ccc12)N1CCNCC1)S(=O)(=O)c1cccc2ccccc12
CC(C)Cn1nc(c2cc(ccc12)N1CCNCC1)S(=O)(=O)c1cccc2ccccc12
O=S(=O)(c1nn(Cc2ccccc2)c2ccc(cc12)N1CCNCC1)c1cccc2ccccc12
CN(C)[C@@H]1CC[C@@H](C1)c1c[nH]c2ccc(cc12)C#N |r|
CN1CCN(CC1)c1ccc2C(=O)CCN(c2c1)S(=O)(=O)c1ccc2ccccc2c1
CN1CCN(CC1)c1cccc2N(CCC(=O)c12)S(=O)(=O)c1ccc2ccccc2c1
CC1CC(=O)c2ccc(cc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1
CC1CC(=O)c2c(cccc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1
CCC1CC(=O)c2c(cccc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1
CC1CC(=O)c2c(cc(C)cc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1
Fc1ccccc1OC1CN(C1)c1c2CCNCCc2nc2ccnn12
C1CN(C1)c1c2CCNCCc2nc2ccnn12
O=C1Cc2cc(OC3CN(C3)c3c4CCNCCc4nc4ccnn34)ccc2N1
C1C(CN1c1c2CCNCCc2nc2ccnn12)Oc1ccccc1
Fc1ccc(OC2CN(C2)c2c3CCNCCc3nc3ccnn23)cc1
Fc1cccc(OC2CN(C2)c2c3CCNCCc3nc3ccnn23)c1
C1C(CN1c1c2CCNCCc2nc2ccnn12)Oc1ccccn1
CCNc1c2CCNCCc2nc2ccnn12
COc1cccc(OC2CN(C2)c2c3CCNCCc3nc3ccnn23)c1
COc1ccccc1OC1CN(C1)c1c2CCNCCc2nc2ccnn12
COc1ccc(OC2CN(C2)c2c3CCNCCc3nc3ccnn23)cc1
CN(C(C)=O)c1ccc(OC2CN(C2)c2c3CCNCCc3nc3ccnn23)cc1
C1C(CN1c1c2CCNCCc2nc2ccnn12)Oc1cccnc1
CCN(C)c1c2CCNCCc2nc2ccnn12
C1C(CN1c1c2CCNCCc2nc2ccnn12)Oc1ccncc1
C1CCN(C1)c1c2CCNCCc2nc2ccnn12
C1CCN(CC1)c1c2CCNCCc2nc2ccnn12
O=S(=O)(c1n[nH]c2ccc(NC3CCNCC3)cc12)c1cccc2ccccc12
Clc1cccc(c1)S(=O)(=O)c1n[nH]c2ccc(NC3CCNCC3)cc12
CC(C)c1ccc(cc1)S(=O)(=O)c1n[nH]c2ccc(NC3CCNCC3)cc12
O=S(=O)(c1n[nH]c2ccc(NC3CCNCC3)cc12)c1ccc2ccccc2c1
NCCC(=O)Nc1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12
O=C(Nc1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12)C1CCNCC1
Clc1cccc(Cc2ncc3CCNCCc3n2)c1
Cc1ccc(Cc2ncc3CCNCCc3n2)cc1
C(Cc1ncc2CCNCCc2n1)c1ccccc1
Fc1cccc(Cc2ncc3CCNCCc3n2)c1
Clc1ccc(Cc2ncc3CCNCCc3n2)cc1
Fc1ccccc1Cc1ncc2CCNCCc2n1
Cc1cccc(Cc2ncc3CCNCCc3n2)c1
FC(F)(F)c1cccc(Cc2ncc3CCNCCc3n2)c1
Cc1ccccc1Cc1ncc2CCNCCc2n1
Fc1ccc(Cc2ncc3CCNCCc3n2)cc1
C1Cc2cnc(nc2CN1)-c1ccccc1
Clc1ccccc1Cc1ncc2CCNCCc2n1
C(Cc1ccccc1)Cc1ncc2CNCCc2n1
NCCc1cccc(Sc2ccccc2)c1
C1CN(CCN1)c1cccc(Sc2ccccc2)c1
COc1ccc(Sc2cccc(c2)N2CCNCC2)cc1
Cc1ccccc1Sc1ccc2CC3CNCCN3c2c1
Cc1cccc(Sc2ccc3CC4CNCCN4c3c2)c1
Cc1ccc(Sc2ccc3CC4CNCCN4c3c2)cc1
COc1ccccc1Sc1ccc2CC3CNCCN3c2c1
COc1cccc(Sc2ccc3CC4CNCCN4c3c2)c1
COc1ccc(Sc2ccc3CC4CNCCN4c3c2)cc1
Fc1ccccc1Sc1ccc2CC3CNCCN3c2c1
Fc1ccc(Sc2ccc3CC4CNCCN4c3c2)cc1
FC(F)(F)c1ccccc1Sc1ccc2CC3CNCCN3c2c1
FC(F)(F)c1cccc(Sc2ccc3CC4CNCCN4c3c2)c1
FC(F)(F)c1ccc(Sc2ccc3CC4CNCCN4c3c2)cc1
O=c1n(CCN2CCN(CC2)c2cccc3ccccc23)nnc2ccccc12
O=c1n(CCCN2CCN(CC2)c2cccc3ccccc23)nnc2ccccc12
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
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(C)c2C)c1C
CCCc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccc(OC)cc1
COc1ccc(cc1)-n1c(C)c(nc1-c1ccccc1)C(=O)NCC(O)CN1CCN(CC1)c1cccc(Cl)c1C
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|
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
Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1C1CCCC1
Cc1c(nc(-c2ccccc2)n1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
CCCn1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1C
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)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(Cl)c1C
Cc1cccc(N2CCN(CCCNC(=O)c3cn(c(n3)-c3ccccc3)-c3ccccc3)CC2)c1C
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,)|
CCCc1nc(cn1-c1ccc(Cl)cc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
COc1ccc(cc1)-n1c(C)nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2C)c1C
Cc1c(nc(-c2ccccc2)n1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Cc1c(Cl)cccc1N1CCN(CCCNC(=O)c2nc(-c3ccccc3)n(c2Cn2cncn2)-c2ccccc2)CC1
Nc1nc(Br)ncc1-c1c[nH]c2cccc(O)c12
Nc1nccc(n1)-c1c[nH]c2cccc(O)c12
COc1cccc2[nH]cc(-c3ccnc(N)n3)c12
Nc1nc(Cl)ncc1-c1c[nH]c2cccc(O)c12
CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(CC)C=N1 |w:2.1,c:21|
CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1N=CCC1c1ccccc1 |w:2.1,c:17|
C=CCN1CCN(CCCN=C(NC#N)c2ccccn2)CC1 |w:10.9|
COCCN1CCN(CCCN=C(NC#N)c2ccccn2)CC1 |w:11.10|
CCOCCN1CCN(CCCN=C(NC#N)c2ccccn2)CC1 |w:12.11|
COc1ccccc1N1CCN(CCCN=C(NC#N)c2ccccn2)CC1 |w:15.15|
N#CNC(=NCCCN1CCN(CC1)c1ccccc1C#N)c1ccccn1 |w:4.4|
Cc1cccc(N2CCN(CCCN=C(NC#N)c3ccccn3)CC2)c1C |w:13.12|
Clc1cccc(c1)N1CCN(CCCN=C(NC#N)c2ccccn2)CC1 |w:14.14|
FC(F)(F)c1cccc(c1)N1CCN(CCCN=C(NC#N)c2ccccn2)CC1 |w:17.17|
N#CNC(=NCCCN1CCN(CC1)c1ncccn1)c1ccccn1 |w:4.4|
N#CNC(=NCCCN1CCN(CC1)c1ccccn1)c1ccccn1 |w:4.4|
CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(F)cc1
CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)cc1
CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(I)cc1
CN(C1CCN(C)CC1)S(=O)(=O)c1ccccc1
CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(C)cc1
CC(C)c1ccc(cc1)S(=O)(=O)N(C)C1CCN(C)CC1
CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
CCc1ccc(cc1)S(=O)(=O)N(C)C1CCN(C)CC1
CCCc1ccc(cc1)S(=O)(=O)N(C)C1CCN(C)CC1
CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(cc1)-c1ccccc1
COc1ccc(cc1)S(=O)(=O)N(C)C1CCN(C)CC1
CCCCOc1ccc(cc1)S(=O)(=O)N(C)C1CCN(C)CC1
CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1
CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(cc1)C#N
CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(cc1)C(F)(F)F
CN(C1CCN(C)CC1)S(=O)(=O)c1cccc(F)c1
CN(C1CCN(C)CC1)S(=O)(=O)c1cccc(Cl)c1
CN(C1CCN(C)CC1)S(=O)(=O)c1cccc(C)c1
CN(C1CCN(C)CC1)S(=O)(=O)c1ccccc1F
CN(C1CCN(C)CC1)S(=O)(=O)c1ccccc1Cl
CN(C1CCN(C)CC1)S(=O)(=O)c1ccccc1C
CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(C)c(C)c1
CN(C1CCN(C)CC1)S(=O)(=O)c1cccc2ccccc12
CN(C1CCN(C)CC1)S(=O)(=O)c1cccc2ccsc12
OC1(CCN(CCCSc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Fc1ccc(SCCCN2CCC(CC2)c2ccc(Cl)cc2)cc1
Fc1ccc(OCCCN2CCC(CC2)c2ccc(Cl)cc2)cc1
Fc1ccc(cc1)S(=O)CCCN1CCC(CC1)c1ccc(Cl)cc1
Fc1ccc(SCCCN2CCN(CC2)c2ncccn2)cc1
Fc1ccc(OCCCN2CCN(CC2)c2ncccn2)cc1
Fc1ccc(SCCCN2CCN(CC2)c2ccccn2)cc1
Fc1ccc(OCCCN2CCN(CC2)c2ccccn2)cc1
COc1ccc2cc(CC3CC3)cc(CCNC(C)=O)c2c1
COc1ccc2cc(C=C)cc(CCNC(C)=O)c2c1
COc1ccc2cc(CC=C)cc(CCNC(C)=O)c2c1
OC1(C[C@@H]2CC[C@H](C1)N2CCCCc1ccc(F)cc1)c1ccc(Cl)cc1 |r,THB:9:8:2.1.7:5.4|
Fc1ccc(SCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Fc1ccc(OCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Fc1ccc(CCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Clc1ccc(cc1)N1CCCN(CCCCc2nc3ccccc3s2)CC1
Clc1ccc(cc1)N1CCCN(CCCCC(=O)c2nc3ccccc3s2)CC1
OC1(C[C@@H]2CC[C@H](C1)N2CCCCc1nc2ccccc2s1)c1ccc(Cl)cc1 |r,THB:9:8:2.1.7:5.4|
COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r|
Fc1ccc(CCN2CCN(CC2)C(=O)c2cccn3cc(nc23)C#N)c(F)c1
Fc1ccc(CCN2CCN(CC2)C(=O)c2cnn3CCCCc23)c(F)c1
Fc1ccc(CCN2CCN(CC2)C(=O)c2cc3ncccn3n2)c(F)c1
Cc1nc2ccccn2c1C(=O)N1CCN(CCc2ccc(F)cc2F)CC1
Fc1ccc(CCN2CCN(CC2)C(=O)c2cnn3cccnc23)c(F)c1
Fc1ccc(CCN2CCN(CC2)C(=O)c2cnc3ccccn23)c(F)c1
Fc1ccc(CCN2CCN(CC2)C(=O)c2cc3CCCCn3n2)c(F)c1
Fc1ccc(CCN2CCN(CC2)C(=O)c2cccn3cc(Br)nc23)c(F)c1
Fc1ccc(CCN2CCN(CC2)C(=O)c2cn3ccccc3n2)c(F)c1
Fc1ccc(CCN2CCN(CC2)C(=O)c2nc3ccccn3c2Br)c(F)c1
Fc1ccc(CCN2CCN(CC2)C(=O)c2cnn3cc(Cl)ccc23)c(F)c1
Fc1ccc(CCN2CCN(CC2)C(=O)c2cccn3ccnc23)c(F)c1
Fc1ccc(CCN2CCN(CC2)C(=O)c2nn3ccccc3c2Br)c(F)c1
Fc1ccc(CCN2CCN(CC2)C(=O)c2cc(Br)cn3ccnc23)c(F)c1
Fc1ccc(CCN2CCN(CC2)C(=O)c2cc3ccccn3n2)c(F)c1
Fc1ccc(CCN2CCN(CC2)C(=O)c2nn3ccccc3c2Cl)c(F)c1
Fc1ccc(CCN2CCN(CC2)C(=O)c2cccn3cc(Cl)nc23)c(F)c1
Fc1ccc(CCN2CCN(CC2)C(=O)c2cnn3ccccc23)c(F)c1
Fc1ccc(CCN2CCN(CC2)C(=O)c2cccc3ccnn23)c(F)c1
Nc1cccn2cc(nc12)C(=O)N1CCN(CCc2ccc(F)cc2F)CC1
Cc1cc(C)n2ccnc2c1C(=O)N1CCN(CCc2ccc(F)cc2F)CC1
Nc1cccc2nc(cn12)C(=O)N1CCN(CCc2ccc(F)cc2F)CC1
CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1C(=O)C1=CC=C[C@@H]1[Re](C=O)(C=O)C=O |c:27,t:25|
CN1CCc2cc(Cl)c(O)cc2C(C1)c1cccc(Br)c1
CN1CCc2cc(Cl)c(O)cc2C(C1)c1cccc(c1)C(=O)C1=CC=C[C@@H]1[Re](C=O)(C=O)C=O |c:27,t:25|
CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1Br
CCN(C)C1CCCc2ccncc12
NCCc1c[nH]c2cccc(O)c12
CN(C)CCc1c[nH]c2c1cc(cc2)O
CC(C)NC[C@@H](COc1cccc2c1cccc2)O
CNCCc1c[nH]c2ccc(O)cc12
NCCc1c[nH]c2cc(O)ccc12
CN(C)CCCSc1ccccc1NC(=O)\C=C\c1ccccc1
Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1
CN1C2CCCC1CC(C2)NC(=O)c1nn(C)c2ccccc12 |THB:10:8:1:3.5.4|
Cc1ccc2[C@H](CN)O[C@@H](Cc2c1O)C1CCCCC1
NC[C@@H]1O[C@@H](Cc2c(O)c(Br)ccc12)c1ccccc1
Fc1ccc(cc1)C(=O)C1CCN(CCc2ccccc2)CC1
Fc1ccc(CC2CCN(CCn3c(=O)[nH]c4ccccc4c3=O)CC2)cc1
O=C(C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1)c1ccccc1
NCCn1c(=O)[nH]c2ccccc2c1=O
CN(C)CCn1c(=O)[nH]c2ccccc2c1=O
O=c1[nH]c2ccccc2c(=O)n1CCNCCCc1ccccc1
C(N1CCNCC1)c1ccccc1
CN1CCN(CC1)C(=O)c1ccccc1
Fc1ccc(cc1)C(=O)C1CCN(CCCCCc2ccccc2)CC1
Fc1ccc(cc1)C(=O)C1CCN(CCNC(=O)c2ccccc2)CC1
Fc1ccc(cc1)C(=O)C1CCNCC1
O=C(N1CCNCC1)c1ccccc1
CN1CCC(Cc2ccccc2)CC1
CN1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
O=c1[nH]c2ccccc2c(=O)n1CCN1CCCCC1
c1cc(ccc1CC2CCNCC2)F
O=c1[nH]c2ccccc2c(=O)n1CCN1CCC(Cc2ccccc2)CC1
O=c1[nH]c2ccccc2c(=O)n1CCNCCCCc1ccccc1
Fc1ccc(cc1)C(=O)C1CCN(CCCC(=O)c2ccccc2)CC1
CN1CCN(Cc2ccc(F)cc2)CC1
CN1CCC(CC1)C(=O)c1ccc(F)cc1
c1ccc(cc1)CC2CCNCC2
OC(C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1)c1ccccc1
Fc1ccc(cc1)C(=O)C1CCN(CCCc2ccccc2)CC1
CN(CCCc1ccccc1)CCn1c(=O)[nH]c2ccccc2c1=O
CN1CCN(CC1)C(=O)c1ccc(F)cc1
c1ccc(cc1)C(=O)C2CCNCC2
Fc1ccc(cc1)C(=O)C1CCN(CCNC(=O)Nc2ccccc2)CC1
Fc1ccc(cc1)C(=O)C1CCN(CCCCc2ccccc2)CC1
CCN1CCC(CC1)C(O)c1ccc(F)cc1
Fc1ccc(cc1)C(=O)C1CCN(Cc2ccccc2)CC1
CCN1CCC(CC1)C(=O)c1ccc(F)cc1
COc1cccc(Br)c1CC(C)N
COc1cc(I)ccc1CC(C)N
COc1cc(C)ccc1CCN
CC(N)Cc1ccc(Br)cc1
CNC(C)Cc1cc(OC)c(Br)cc1OC
COc1cc(C)ccc1CC(C)N
CNC(C)Cc1ccc(C)cc1OC
CCCCc1cc(OC)c(CC(C)N)cc1OC
CC(N)Cc1ccc(C)cc1
CCCOC(=O)c1cc(OC)c(CC(C)N)cc1OC
COc1ccc(CC(C)N)c(OC)c1
CCCc1ccc(CC(C)N)cc1
CCCc1ccc(CC(C)NC)cc1
COc1cc(Br)ccc1CCN
COc1cc(Br)ccc1CC(C)N
CCOc1ccc(CC(C)N)cc1
CC(N)Cc1ccc(OC(=O)c2ccccc2)cc1
[H][C@@]12Cc3cn(C)c4cccc(c34)[C@@]1([H])C[C@H](CNS(=O)(=O)N(C)C)CN2C |r|
COc1cc2c(nc3ccccc3c2c2ccccc12)N1CCN(C)CC1
CN1CCN(CC1)c1nc2ccccc2c-2c1CCc1ccccc-21
Oc1cc2CC[C@H]3NCc4ccccc4[C@@H]3c2cc1O
CN1CCC(CC1)C1=Cc2ccccc2Oc2ccccc12 |t:8|
CCN1CCC(=CC1)C1=Cc2ccccc2Cc2ccccc12 |c:5,t:9|
C=CCN1CCC(=CC1)C1=Cc2ccccc2Oc2ccccc12 |c:6,t:10|
C=CCN1CCC(=CC1)C1=Cc2ccccc2Cc2ccccc12 |c:6,t:10|
CN1CCC(=CC1)C1=Cc2ccccc2Cc2ccccc12 |c:4,t:8|
[#6]-[#7]-1-[#6]-[#6]-[#6](=[#6]-[#6]-1)-[#6]-1=[#6]-c2ccccc2\[#6](=[#6](/[#6])-[#6])-c2ccc(Cl)cc-12 |c:4,t:8|
CCN1CCC(=CC1)C1=Cc2ccccc2Oc2ccccc12 |c:5,t:9|
CN1CCC(=CC1)C1=Cc2ccccc2Oc2ccccc12 |c:4,t:8|
C(CCc1ccccc1)CN1CCC(CC1)C(=C/Cc1ccccc1)\c1ccccc1
C(Cc1ccccc1)N1CCC(Cc2ccccc2)CC1
[#6](-[#6]-c1ccccc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccccc1)-c1ccccc1
Fc1ccc(CC2CCN(CCCCc3ccccc3)CC2)cc1
C(CCc1ccccc1)CN1CCN(Cc2ccccc2)CC1
C(CCc1ccccc1)CN1CCC(CC1)C(=C\c1ccccc1)\c1ccccc1
C(CCc1ccccc1)CN1CCN(CC1)C(=C\c1ccccc1)\c1ccccc1
Fc1ccc(CC2CCN(CCc3ccccc3)CC2)cc1
CN1CCN(CC1)C(=C\c1ccccc1)\c1ccccc1
OC(C1CCN(CCCCc2ccccc2)CC1)c1ccccc1
O=C(N1CCN(CCCCc2ccccc2)CC1)c1ccccc1
O=C(C1CCN(CCc2ccccc2)CC1)c1ccccc1
O=c1[nH]c2ccccc2c(=O)n1CCN1CCN(CC1)C(c1ccccc1)c1ccccc1
C(CCc1ccccc1)CN1CCC(CC1)C(=C/CCc1ccccc1)\c1ccccc1
CN1CCC(CC1)C(=C\c1ccccc1)\c1ccccc1
OC(C1CCN(CCc2ccccc2)CC1)c1ccc(F)cc1
O=c1[nH]c2ccccc2c(=O)n1CCN1CCC(CC1)C(c1ccccc1)c1ccccc1
[#6](-[#6]-[#6]-c1ccccc1)-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccccc1)-c1ccccc1
CN1CCC(CC1)C(=O)c1ccccc1
OC(C1CCN(CCCCc2ccccc2)CC1)c1ccc(F)cc1
O=C(C1CCN(CCCCc2ccccc2)CC1)c1ccccc1
C(CCc1ccccc1)CN1CCC(Cc2ccccc2)CC1
Oc1cc2CC[C@@H]3NCc4ccsc4[C@H]3c2cc1O
CCC(CC)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |c:24|
CN1CCN(CC1)c1nc2ccccc2n2cccc12
CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12
Fc1ccc2c(c1)nc(N1CCNCC1)c1cccn21
Fc1cccc2nc(N3CCNCC3)c3cccn3c12
Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)C1CCCc2ccccc12
Clc1ccc(cc1)C(=O)NCCN1CCN(CC1)C1CCCc2ccccc12
O=C(NCCN1CCN(CC1)C1CCCc2ccccc12)c1ccccc1
C(Oc1cccc2C=C(CN3CCOCC3)COc12)[C@H]1CNCCO1 |r,t:7|
C(Oc1cccc2C=C(CN3CCOCC3)COc12)[C@@H]1CNCCO1 |r,t:7|
CN1CCN(CC1)c1ccc2Cc3ccccc3-c2n1
CN1CCN(CC1)c1nc2ccccc2c2CCCCc12
CN1CCN(CC1)c1nc2ccccc2c2C3CCC(C3)Cc12
CN1CCN(CC1)c1cc2-c3ccccc3-c3cccc(n1)c23
CN1CCN(CC1)c1nc2ccccc2c(-c2ccccc2)c1COC(=O)c1ccccc1
CN1CCN(CC1)c1nc2ccccc2c2-c3ccsc3CCc12
Clc1cc2OCOc2cc1COC(=O)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)CCCc1ccccc1)c1ccc(F)cc1
O=C(OC1CCc2ccccc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Fc1ccc(CCOC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
O=C(OCc1cccc(Oc2ccccc2)c1)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Fc1ccc(cc1)C(CCCN1CCC(CC1)NC(=O)OCCc1ccc(cc1)C#N)c1ccc(F)cc1
CCOc1ccc(CCNC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
CN(C)CCc1c(C)[nH]c2cccc(NC(=O)c3ccc(F)cc3)c12
C[C@H]1C[C@@H](C)N1C(=O)[C@H]1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:24|
C[C@@H]1C[C@@H](C)N1C(=O)[C@H]1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:24|
C[C@H]1C[C@H](C)N1C(=O)[C@H]1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:24|
COc1ccc2OC3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)CCc2c1
Fc1ccc(CCN2CCC3(CC2)CCc2ccc(F)cc2O3)c(F)c1
NC(=O)c1cccc(c1)S(=O)(=O)C1CCN(CCc2ccc(F)cc2F)CC1
Fc1ccc(CCN2CCC3(CC2)CCc2c(F)cccc2O3)c(F)c1
Fc1ccc(CCN2CCC3(CC2)CCc2ccccc2S3(=O)=O)c(F)c1
Clc1ccc2C(=O)C3(CCN(CCc4ccccc4)CC3)CCc2c1
Fc1ccc(CCN2CCC(CC2)S(=O)(=O)c2ccc(cc2)C#N)c(F)c1
NC(=O)c1ccc(cc1)S(=O)(=O)C1CCN(CCc2ccc(F)cc2F)CC1
Fc1ccc(CCN2CCC(CC2)S(=O)(=O)c2ccccc2C#N)c(F)c1
Fc1ccc(cc1)C(=O)CN1CCC(CC1)S(=O)(=O)c1ccccc1
Fc1ccc(CCN2CCC3(CC2)CCc2cccc(F)c2O3)c(F)c1
OC(CCc1ccccc1)CN1CCC2(CC1)CCc1cc(F)ccc1O2
OC1c2ccccc2CCC11CCN(CCc2ccccc2)CC1
O=S(=O)(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Fc1ccc(CCN2CCC(CC2)S(=O)(=O)c2cccc(c2)C#N)c(F)c1
Fc1ccc(CCN2CCC(CC2)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1
COc1ccc2OC3(CCN(CCc4ccc(F)cc4F)CC3)CCc2c1
Fc1ccc(CCN2CCC3(CC2)CCc2ccccc2O3)c(F)c1
Fc1ccc(CCN2CCC3(CC2)CCc2ccccc2C3)c(F)c1
CC(N)Cc1c[nH]c2ccc3OCCCc3c12
C[C@@H](N)Cc1c[nH]c2ccc3OCCCc3c12
CC(N)Cc1cn(C)c2ccc3OCCCc3c12
C[C@H](N)Cc1c[nH]c2ccc3OCCCc3c12
Cn1ccnc1-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(ccc12)-c1cccnc1
Cn1cnc(n1)-c1ccc2n(cc(C3CCN(CCC#N)CC3)c2c1)-c1ccc(F)cc1
Cn1cc(cn1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
CN1CCC(CCN2CCC(CC2)c2cn(-c3ccc(F)cc3)c3ccc(cc23)-c2ncn(C)n2)C1=O
C[C@H](CN1CCN(CC1)c1cc(F)c(F)cc1F)N1C(=O)CC2(CCCC2)CC1=O
Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(ccc12)-c1ncccn1
Fc1ccc(cc1)-n1cc(C2CCN(CCC#N)CC2)c2cc(ccc12)-c1ncccn1
Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(ccc12)-c1c[nH]nn1
CCn1ncc(n1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Cn1cnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Cn1ccc(n1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Cn1nncc1-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Cn1cnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCOC4=O)CC3)c2c1)-c1ccc(F)cc1
COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)c4ccco4
Cn1nnnc1-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Cn1ncc(n1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCOC3=O)CC2)c2cc(ccc12)-c1ncccn1
CCn1cc(nn1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(ccc12)-c1cncnc1
Cn1cnc(n1)-c1ccc2n(cc(C3CCN(CCn4c(=O)[nH]c5ccccc5c4=O)CC3)c2c1)-c1ccc(F)cc1
Cn1cnnc1-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Cn1nccc1-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Cn1nnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCOC4=O)CC3)c2c1)-c1ccc(F)cc1
Cn1ncnc1-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
CN1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc(cc12)[S@](C)=O |r,@:1|
Clc1ccccc1S(=O)(=O)Nc1ccc2[nH]cc(CC3CCCN3)c2c1
CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc12
CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccccc3Cl)cc12
C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1ccc(Cl)cc1NC(C)=O
CCCC(N1CCCC1)C(=O)c1ccccc1C
CCCC(N1CCCC1)C(=O)c1ccc(cc1)[N+]([O-])=O
CCCC(N1CCCC1)C(=O)c1ccc(NC(C)=O)cc1
CCC(CC(=O)c1ccc(C)cc1)N1CCCC1
CCCC(N1CCCC1)C(=O)c1ccc2ccccc2c1
CCCC(N1CCCC1)C(=O)c1ccc(cc1)C(F)(F)F
CCC[C@H](N1CCCC1)C(=O)c1ccc(C)cc1
CCCC(N1CCCC1)C(=O)c1ccc(OC)cc1
CCCC(N1CCCC1)C(=O)c1ccc(O)cc1
CCCC(N1CCCC1)C(=O)c1cccc(C)c1
CCC(CC(=O)c1ccc(Cl)c(Cl)c1)N1CCCC1
CCCC(N1CCCC1)C(=O)c1ccc(Br)cc1
CCCC(N1CCCC1)C(=O)c1ccc(cc1)-c1cccs1
CC(C)N1CCC[C@H](Cn2c(C)nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)C1
CC(C)N1CCC[C@H](Cn2cnc3ccc(Oc4ccc(F)cc4)cc3c2=O)C1
CC(C)N1CCC[C@H](Cn2cnc3ccc(cc3c2=O)-c2ccc(Cl)cc2)C1
CC(C)N1CCC[C@H](Cn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)C(C)C)C1
CCN1CCC[C@H](Cn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)-c2ccccc2C)C1
CC(C)N1CCC[C@H](Cn2c(nc3ccc(Oc4ccc(F)cc4)cc3c2=O)-c2ccccc2C)C1
CC(C)N1CCC[C@H](Cn2c(nc3ccc(Oc4ccc(F)cc4)cc3c2=O)C(C)C)C1
CC(C)N1CCC[C@H](Cn2c(nc3ccc(cc3c2=O)-c2ccc(F)cc2)C(C)C)C1
CC(C)N1CCC[C@H](Cn2c(C)nc3ccc(Oc4ccc(F)cc4)cc3c2=O)C1
Fc1ccc(\C=C\c2ccc(cn2)S(=O)(=O)c2cccc(F)c2)cc1
Oc1cc(F)ccc1\C=C\c1ccc(cn1)S(=O)(=O)c1ccccc1F
Fc1ccc(\C=C\c2ccc(cn2)S(=O)(=O)c2ccccc2)cc1
Fc1ccccc1S(=O)(=O)c1ccc(\C=C\c2ccncc2)nc1
Fc1ccc(\C=C\c2ccc(cn2)S(=O)c2ccccc2)c(F)c1
COc1cc(F)ccc1\C=C\c1ccc(cn1)S(=O)(=O)c1ccccc1F
Fc1ccc(\C=C\c2ccc(cn2)S(=O)(=O)c2ccccc2)c(F)c1
Fc1ccc(\C=C\c2ccc(cn2)S(=O)(=O)c2ccccc2F)c(c1)C#N
Fc1ccc(\C=C\c2ccc(cn2)S(=O)c2ccccc2F)cc1
Fc1cccc(\C=C\c2ccc(cn2)S(=O)(=O)c2ccccc2F)c1
Fc1ccc(\C=C\c2ccc(nc2)S(=O)(=O)c2ccc(F)cc2)cc1
Fc1ccc(\C=C\c2ccc(cn2)S(=O)(=O)c2ccccc2F)c(Cl)c1
Fc1ccc(\C=C\c2ccc(cn2)S(=O)c2ccccc2F)c(F)c1
Fc1ccc(\C=C\c2ccc(cn2)S(=O)(=O)c2ccccc2F)c(F)c1
Fc1ccc(\C=C\c2ccc(cn2)S(=O)c2ccccc2)cc1
Fc1ccc(CCc2ccc(cn2)S(=O)(=O)c2ccc(F)cc2)cc1
Fc1ccc(\C=C\c2ccc(cn2)S(=O)(=O)c2ccccc2F)cc1
Oc1ccccc1\C=C\c1ccc(cn1)S(=O)(=O)c1ccccc1F
Cc1cc(F)ccc1\C=C\c1ccc(cn1)S(=O)(=O)c1ccccc1F
Fc1ccc(CCc2ccc(nc2)S(=O)(=O)c2ccc(F)cc2)cc1
Fc1ccc(\C=C\c2ccc(cn2)S(=O)(=O)c2ccc(F)cc2)cc1
Fc1ccccc1\C=C\c1ccc(cn1)S(=O)(=O)c1ccccc1F
NC1=Nc2cccc(Cl)c2CN1 |t:1|
CCC1NC(N)=Nc2cccc(Cl)c12 |c:5|
NC1=Nc2ccc(Cl)c(Cl)c2CN1 |t:1|
CC1NC(N)=Nc2c(Cl)ccc(Cl)c12 |c:4|
COc1c(Cl)ccc2N=C(N)NC(C)c12 |t:8|
COc1cc(Cl)c(C)c2C(C)NC(N)=Nc12 |c:13|
CNC1=Nc2c(OC(C)C)cccc2C(C)N1 |t:2|
CC(C)Oc1cccc2C(C)NC(N)=Nc12 |c:13|
COc1cccc2C(C)NC(N)=Nc12 |c:11|
CNC1=Nc2ccc(Cl)c(Cl)c2C(C)N1 |t:2|
CC1NC(N)=Nc2ccc(Cl)c(Cl)c12 |c:4|
CCC1NC(N)=Nc2ccc(Cl)c(Cl)c12 |c:5|
CNC1=Nc2cccc(Cl)c2C(C)N1 |t:2|
CC1NC(N)=Nc2cccc(Cl)c12 |c:4|
CCN(CC)c1nc2CCNCc2c(n1)-c1ccc(C)cc1
Fc1ccc(cc1)-c1nc(Cc2ccccc2)nc2CCCNCc12
Fc1ccc(cc1)-c1nc(nc2CCNCc12)-c1ccccc1
Fc1ccc(cc1)-c1nc(nc2CCNCc12)C1CCC1
Fc1ccc(cc1)-c1nc(nc2CCNCc12)C1CCCC1
Cc1ccc(cc1)-c1nc(Cc2ccccc2)nc2CCNCCc12
COc1ccc(cc1)-c1nc(nc2CCNCCc12)C1CCCC1
CC(C)c1nc2CCNCCc2c(n1)-c1ccc(F)cc1
Cc1nc2CCNCCc2c(n1)-c1ccc(Cl)cc1
Fc1ccc(cc1)-c1nc(Cc2ccccc2)nc2CNCCc12
Fc1ccc(cc1)-c1nc(Cc2ccccc2)nc2CNCCCc12
CC(C)Cc1nc2CCNCc2c(n1)-c1ccc(F)cc1
Fc1ccc(cc1)-c1nc(nc2CCNCc12)C1CC1
Fc1ccc(Cc2nc3CCNCc3c(n2)-c2ccc(F)cc2)cc1
CCC(C)c1nc2CCNCc2c(n1)-c1ccc(F)cc1 |w:2.2|
CC(C)(C)c1nc2CCNCc2c(n1)-c1ccc(F)cc1
Fc1ccc(cc1)-c1nc(Cc2ccccc2)nc2CCNCc12
FC(F)(F)c1ccc(cc1)-c1nc(Cc2ccccc2)nc2CCNCCc12
Fc1ccc(cc1)-c1nc(Cc2ccccc2)nc2CCNCCc12
Fc1ccc(Cc2nc3CCNCCc3c(n2)-c2ccc(F)cc2)cc1
N#Cc1ccc(cc1)-c1nc(nc2CCNCCc12)C1CCCC1
Cc1ccc(cc1)-c1nc(nc2CCNCCc12)C1CCCC1
Fc1ccc(cc1)-c1nc(nc2CCNCCc12)C1CCCC1
CC1NC(NCC(F)F)=Nc2cccc(Cl)c12 |c:8|
CC1NC(NCC(F)F)=Nc2c(Cl)ccc(Cl)c12 |c:8|
COc1c(Cl)ccc2N=C(NCC(F)F)NC(C)c12 |t:8|
CC(C)Oc1cccc2C(C)NC(NCC(F)F)=Nc12 |c:17|
C[C@H]1NC(NCC(F)F)=Nc2ccc(Cl)c(Cl)c12 |c:8|
C[C@@H]1NC(NCC(F)F)=Nc2ccc(Cl)c(Cl)c12 |c:8|
COc1cccc2C(C)NC(NCC(F)F)=Nc12 |c:15|
C[C@@H]1NC(N)=Nc2cccc(Cl)c12 |c:4|
C[C@@H]1NC(NCC(F)F)=Nc2cccc(Cl)c12 |c:8|
COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
CCc1cc2c(ccc3c(OC)nn(C[C@H](C)N)c23)o1
CCc1cc2c(ccc3c(CC)nn(C[C@H](C)N)c23)o1
CCc1cc2c(ccc3c(C)nn(C[C@H](C)N)c23)o1
C[C@H](N)Cn1ncc2ccc3oc(cc3c12)C(C)C
C[C@H](N)Cn1ncc2ccc3oc(C)cc3c12
COc1nn(C[C@H](C)N)c2c1ccc1occc21
CCCc1nn(C[C@H](C)N)c2c1ccc1occc21
CCc1nn(C[C@H](C)N)c2c1ccc1occc21
C[C@H](N)Cn1nc(C)c2ccc3occc3c12
C[C@H](N)Cn1ncc2ccc3ocnc3c12
C[C@H](N)Cn1ncc2ccc3occc3c12
C[C@H](N)Cn1ncc2ccc3sccc3c12
C[C@H](N)Cn1ncc2ccc(Cl)c(Cl)c12
C[C@H](N)Cn1ncc2cc(Cl)c(Cl)cc12
COc1ccc2cnn(C[C@H](C)N)c2c1Cl
C[C@H](N)Cn1ncc2ccc(F)cc12
C[C@H](N)Cn1ncc2cc(F)ccc12
CC(Oc1ccc(Cl)cc1C)C(O)=O
C1Cc2ccc3occc3c2CCN1
COc1ccc2CCNCCc2c1Cl
Clc1c2CCNCCc2ccc1C#N
C1Cc2ccc3ccoc3c2CCN1
CNc1ccc2CCNCCc2c1Cl
Clc1c(Br)ccc2CCNCCc12
Clc1ccc2CCNCCc2c1Cl
Fc1ccc2CCNCCc2c1Cl
[O-][N+](=O)c1ccc2CCNCCc2c1Cl
CN1CCc2ccc(c(Cl)c2CC1)[N+]([O-])=O
Cc1cccc(N2CCN(CCCC(=O)NCc3nc4ccccc4c(=O)n3-c3ccccc3)CC2)c1C
Cc1cccc(N2CCN(CCCC(=O)NCc3nc4cc(F)ccc4c(=O)n3-c3ccccc3)CC2)c1C
Fc1ccc2c(c1)nc(CNC(=O)CCCN1CCN(CC1)c1cccc(c1)C(F)(F)F)n(-c1ccccc1)c2=O
CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccc(OC)cc2)CC1
Cc1cccc(N2CCN(CCCC(=O)NCc3nc4ccc(F)cc4c(=O)n3-c3ccccc3)CC2)c1C
COc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccccc2)CC1
CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccccc2)CC1
CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3cc(F)ccc3c(=O)n2-c2ccc(OC)cc2)CC1
CCC1(CCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)Nc2cc(F)ccc12 |w:2.1|
Fc1ccc2NC(=O)C(CCCCN3CCN(CC3)c3ccccc3)c2c1 |w:8.8|
Clc1ccc(cc1)N1CCN(CCCCC2C(=O)Nc3ccccc23)CC1 |w:15.15|
NCC1c2ccccc2Cc2cc(Br)ccc12
CCCCCCc1ccc2C(CN)c3ccccc3Cc2c1
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|
COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(F)c(Cl)cc23)cn1
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Cl)c(Cl)cc23)cn1
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccc(Cl)cc23)cn1
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(I)ccc23)cn1
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Br)ccc23)cn1
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Cl)ccc23)cn1
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(F)ccc23)cn1
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccccc23)cn1
CCN1C(=N)N(C)\C(=C\c2c[nH]c3cc(F)ccc23)C1=O
CCN1C(=N)N(C)\C(=C/c2c[nH]c3ccccc23)C1=O
CN1C(=N)N(C)\C(=C\c2c[nH]c3ccccc23)C1=O
CN1C(=N)N(C)\C(=C\c2c[nH]c3cc(Cl)c(Cl)cc23)C1=O
CN1C(=N)N(C)\C(=C\c2c[nH]c3cc(Cl)ccc23)C1=O
CN1C(=N)N(C)\C(=C\c2c[nH]c3cc(F)ccc23)C1=O
O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Clc1cccc(c1)C1CC[NH2+]CC1
Cc1cccc(c1)C1CCNCC1
c1cc(ccc1C2=CCNCC2)Cl
C1CC(CCN1)c1ccccc1
Cc1ccc(cc1)C1CCNCC1
Cc1ccccc1C1CCNCC1
COc1ccc(cc1)C1CCNCC1
COc1cccc(c1)C1CCNCC1
COc1ccccc1C1CCNCC1
FC(F)(F)c1ccc(cc1)C1CCNCC1
FC(F)(F)c1cccc(c1)C1CCNCC1
FC(F)(F)c1ccccc1C1CCNCC1
Clc1ccc(cc1)C1CCNCC1
Fc1ccc(cc1)C1CCNCC1
Oc1cccc(c1)C1CCNCC1
Cc1cccc(C2CCNCC2)c1C
CN(C)c1ccc(cc1)C1CCNCC1
C1CC(CC[NH2+]1)c1cccc2ccccc12
C1CCc2c(C1)cccc2C1CC[NH2+]CC1
C1CC(CCN1)c1c[nH]c2ccccc12
C1CC(=CCN1)c1ccccc1 |c:2|
FC(F)(F)c1cccc(c1)C1=CCNCC1 |t:11|
Clc1cccc(c1)C1=CCNCC1 |t:8|
Brc1ccc(cc1)C1=CCNCC1 |t:8|
C1CC(=CCN1)c1c[nH]c2ccccc12 |c:2|
COc1ccc(cc1[C@H]1C[C@@H]1CN)-c1ccccc1 |r|
COc1ccc(cc1[C@H]1C[C@@H]1CN)-c1ccccc1C |r|
COc1ccc(cc1[C@H]1C[C@@H]1CN)-c1cccc(C)c1 |r|
COc1ccc(cc1[C@H]1C[C@@H]1CN)-c1ccccc1F |r|
COc1ccc(cc1[C@H]1C[C@@H]1CN)-c1cccc(F)c1 |r|
COc1ccc(cc1[C@H]1C[C@@H]1CN)-c1ccc(F)cc1 |r|
CCCOc1ccccc1[C@H]1C[C@@H]1CN |r|
CC(C)COc1ccccc1[C@H]1C[C@@H]1CN |r|
CCOc1ccccc1[C@H]1C[C@@H]1CN |r|
NC[C@H]1C[C@@H]1c1ccccc1OCC1CC1 |r|
NC[C@H]1C[C@@H]1c1ccccc1OCC1CCC1 |r|
NC[C@H]1C[C@@H]1c1ccccc1OCc1ccccc1 |r|
NC[C@@H]1C[C@H]1c1ccccc1OCC1CC1 |r|
NC[C@H]1C[C@@H]1c1cc(F)ccc1OCC1CC1 |r|
Cc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2cc(CN3CCCC3)cnc2c1
Fc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2C=C(CN3CCCC3)CCc2c1 |t:22|
Fc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2cc(CN3CCCC3)ccc2c1
Fc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2C=C(CN3CCCC3)COc2c1 |t:22|
Fc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2nc(CN3CCCC3)ccc2c1
Fc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2cc(CN3CCCC3)cnc2c1
O=C(Nc1ccc2cc(CN3CCCC3)cnc2c1)c1ccc(cc1)-c1ccccc1
COc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2cc(CN3CCCC3)cnc2c1
Clc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2cc(CN3CCCC3)cnc2c1
Fc1ccc(cc1)-c1ccc(cn1)C(=O)Nc1ccc2cc(CN3CCCC3)cnc2c1
Cc1ccc(cc1)-c1ccc(cn1)C(=O)Nc1ccc2cc(CN3CCCC3)cnc2c1
Clc1ccc(cc1)-c1ccc(cn1)C(=O)Nc1ccc2cc(CN3CCCC3)cnc2c1
Clc1ccc(cc1)C1CCN(CC1)C(=O)Nc1ccc2cc(CN3CCCC3)cnc2c1
Fc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2cc(CN3CCCC3)cnc2c1F
CCc1c(NC(=O)c2ccc(cc2)-c2ccc(F)cc2)ccc2cc(CN3CCCC3)cnc12
Cc1cc2cc(CN3CCCC3)cnc2cc1NC(=O)c1ccc(cc1)-c1ccc(F)cc1
Fc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1cc2ncc(CN3CCCC3)cc2cc1F
Fc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1cc2ncc(CN3CCCC3)cc2cc1Cl
Cc1c(NC(=O)c2ccc(cc2)-c2ccc(F)cc2)ccc2cc(CN3CCCC3)cnc12
Cc1c(NC(=O)c2ccc(cc2)-c2ccccc2)ccc2cc(CN3CCCC3)cnc12
COc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2cc(CN3CCCC3)cnc2c1C
Cc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2cc(CN3CCCC3)cnc2c1C
Cc1c(NC(=O)c2ccc(cc2)-c2ccc(Cl)cc2)ccc2cc(CN3CCCC3)cnc12
C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(F)cc1
C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(cc1)[N+]([O-])=O |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|
Clc1ccc(cc1)N1CCN(CCCc2nc3ccccc3s2)CC1
Clc1ccc(cc1)N1CCN(CCCCc2nc3ccccc3s2)CC1
C(CCc1nc2ccccc2s1)CN1CCN(CC1)c1ncccn1
C(CCc1nc2ccccc2s1)CN1CCc2ccccc2C1
O=C(CCCCN1CCN(CC1)c1ccccc1)c1nc2ccccc2s1
O=C(CCCCN1CCC(CC1)c1ccccc1)c1nc2ccccc2s1
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
Clc1cccc(C2CCN(CCCCOc3ccc4scnc4c3)CC2)c1Cl
Fc1ccc2CCN(C(=O)Nc3cc(OC(F)(F)F)cc(c3)-c3cccnc3)c2c1
FC(F)(F)Oc1cc(NC(=O)N2CCc3ccccc23)cc(c1)-c1cccnc1
COc1cc2CCN(C(=O)Nc3cc(Br)cc(OC(F)(F)F)c3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3cc(cc(c3)C(F)(F)F)-c3cccnc3)c2cc1C(F)(F)F
COc1cc2CCN(C(=O)Nc3cc(OC(F)(F)F)cc(c3)-c3cccnc3)c2cc1C(F)(F)F
CN1CCN(CC1)c1cc2N(CCc2cc1Cl)C(=O)Nc1cc(OC(F)(F)F)cc(c1)-c1cccnc1
CN1CCN(CC1)c1ccc2CCN(C(=O)Nc3cc(OC(F)(F)F)cc(c3)-c3cccnc3)c2c1
OCc1ccc2CCN(C(=O)Nc3cc(OC(F)(F)F)cc(c3)-c3cccnc3)c2c1
COc1ccc2CCN(C(=O)Nc3cc(OC(F)(F)F)cc(c3)-c3cccnc3)c2c1
Fc1cccc2CCN(C(=O)Nc3cc(OC(F)(F)F)cc(c3)-c3cccnc3)c12
COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)cnc12
COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)ccc12
CCCN1CCC(COc2nc3c(OC)cccc3c3ccccc23)CC1
CCCN1CCC(COc2nc3ccccc3c3ncccc23)CC1
CCCN1CCC(COc2nc3c(F)cccc3c3ccccc23)CC1
CCCN1CCC(COc2nc3c(I)cccc3c3ccccc23)CC1
CCCN1CCC(COc2nc3c(Cl)cccc3c3ccccc23)CC1
CCCN1CCC(COc2nc3c(F)cccc3c3ncccc23)CC1
Fc1cccc2c1nc(OCC1CCN(CCCc3ccc(I)cc3)CC1)c1cccnc21
CCCN1CCC(COc2nc3c(I)cccc3c3ncccc23)CC1
C(Oc1cc(COc2ccccc2)on1)[C@@H]1CCCN1 |r|
C(Oc1cc(COc2ccccc2)on1)[C@@H]1CCN1 |r|
COc1ccc(Sc2ccc(C)cc2N2CCNCC2)cc1
Cc1ccc(c(c1)C)Sc2ccccc2N3CCNCC3
COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1OC |TLB:10:21:12.13:19,15:17:12.13:19,THB:11:12:21.17:19,20:21:11.14:9,12:11:21.17:9,14:13:21.17:19,18:17:11.14:9,13:14:21.17:9,8:9:11.14:21.17|
COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1 |TLB:10:21:12.13:19,15:17:12.13:19,THB:11:12:21.17:19,20:21:11.14:9,12:11:21.17:9,14:13:21.17:19,18:17:11.14:9,13:14:21.17:9,8:9:11.14:21.17|
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|
COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Cl)cc(Cl)c1Cl
COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Br)cc(F)c1Br
COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1CCc2ccc(I)cc12
COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Br)ccc1Br
CN(CC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1)CC([O-])=O
CN(C)CCO\N=C1\c2cccn2-c2c(C)csc12
CN(C)CC1(C)CC2N(O1)c1ccccc1Cc1ccccc21
Clc1cccc(c1)N1CCN(CC2CC3N(O2)c2ccccc2Cc2ccccc32)CC1
CN(C)C(=O)C1CC2N(O1)c1ccccc1Cc1ccccc21
CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Oc1ccccc21
C(C1CC2N(O1)c1ccccc1Cc1ccccc21)N1Cc2ccccc2C1
CN(C)CCCCC1CC2N(O1)c1ccccc1Cc1ccccc21
C(C1CC2N(O1)c1ccccc1Cc1ccccc21)N1CCN(CC1)c1ccccc1
C(C1CC2N(O1)c1ccccc1Cc1ccccc21)N1CCCC1
CN(CC1CC2N(O1)c1ccccc1Cc1ccccc21)C(=O)C(F)(F)F
NCC1CC2N(O1)c1ccccc1Cc1ccccc21
CC(C)N(CC1CC2N(O1)c1ccccc1Cc1ccccc21)C(C)C
CNCC1CC2N(O1)c1ccccc1Cc1ccccc21
CN(C)CCCC1CC2N(O1)c1ccccc1Cc1ccccc21
CN1CCN(CC2CC3N(O2)c2ccccc2Cc2ccccc32)CC1
CN(C)CCC1CC2N(O1)c1ccccc1Cc1ccccc21
CCN(CC)CC1CC2N(O1)c1ccccc1Cc1ccccc21
C(C1CC2N(O1)c1ccccc1Cc1ccccc21)N1CCNCC1
C(C1CC2N(O1)c1ccccc1Cc1ccccc21)N1CCOCC1
O=C1N(CC2CC3N(O2)c2ccccc2Cc2ccccc32)C(=O)c2ccccc12
CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21
CN(C)CC1CC2N(O1)c1ccccc1Cc1cccc(c21)C(F)(F)F
CN(C)CC1CC2N(O1)c1ccccc1Cc1cc(C)ccc21
CN(C)CC1CC2N(O1)c1ccccc1Cc1c(Cl)cccc21
CN(C)CC1CC2N(O1)c1ccccc1Cc1ccc(F)cc21
CN(C)CC1CC2N(O1)c1cccc(C)c1Cc1ccccc21
CN(C)CC1CC2N(O1)c1ccccc1Cc1c(F)cccc21
CN(C)CC1CC2N(O1)c1cc(F)ccc1Cc1ccc(F)cc21
CN(C)CC1CC2N(O1)c1cc(ccc1Cc1ccccc21)-c1ccccc1
CN(C)CC1CC2N(O1)c1ccccc1Cc1c2cccc1C(F)(F)F
CN(C)CC1CC2N(O1)c1ccccc1Cc1ccc(cc21)C(F)(F)F
CN(C)CC1CC2N(O1)c1ccccc1Cc1cccc(C)c21
CN(C)CC1CC2N(O1)c1cc(F)ccc1Cc1ccccc21
CN(C)CC1CC2N(O1)c1ccccc1Cc1cccc(F)c21
CN(C)CC1CC2N(O1)c1cc(C)ccc1Cc1ccccc21
CN(C)CC1CC2N(O1)c1ccc(F)cc1Cc1ccccc21
CN(C)CC1CC2N(O1)c1cccc(F)c1Cc1ccccc21
COc1ccc2Cc3ccccc3N3OC(CN(C)C)CC3c2c1
CN(C)CC1CC2N(O1)c1c(Cl)cccc1Cc1ccccc21
NCCc1c[nH]c2ccc(cc12)-c1nc(no1)C1CC1
NCCc1c[nH]c2ccc(CCc3nc(Cc4ccccc4)no3)cc12
Cc1noc(n1)-c1ccc2[nH]cc(CCN)c2c1
CN(C)CCc1c[nH]c2ccc(Cc3nc(C)no3)cc12
COc1ccc(Cc2noc(n2)-c2ccc3[nH]cc(CCN)c3c2)cc1
NCCc1c[nH]c2ccc(cc12)-c1nc(Cc2ccccc2)no1
NCCc1c[nH]c2ccc(Cc3nc(N)no3)cc12
CN(C)CCc1c[nH]c2ccc(Cc3nc(N)no3)cc12
CS(=O)(=O)Nc1ccc(Cc2noc(n2)-c2ccc3[nH]cc(CCN)c3c2)cc1
CN(C)CCc1c[nH]c2ccc(Cc3nc(N)ns3)cc12
Cc1noc(Cc2ccc3[nH]cc(CCN)c3c2)n1
CN(C)CCc1c[nH]c2ccc(CCc3nc(N)no3)cc12
CC(=O)Nc1ccc(Cc2noc(n2)-c2ccc3[nH]cc(CCN)c3c2)cc1
CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12
CN(C)CCc1c[nH]c2ccc(Cn3ccnc3C)cc12
CN(C)CCc1c[nH]c2ccc(Cn3ncnn3)cc12
CN(C)CCc1c[nH]c2ccc(cc12)-n1ccnc1C
CN(C)CCc1c[nH]c2ccc(Cc3nnn(C)n3)cc12
CCn1nnc(Cc2ccc3[nH]cc(CCN(C)C)c3c2)n1
CN(C)CCc1c[nH]c2ccc(Cc3nncn3C)cc12
CCn1nnnc1Cc1ccc2[nH]cc(CCN(C)C)c2c1
CN(C)CCc1c[nH]c2ccc(Cn3ccnc3)cc12
CN(C)CCc1c[nH]c2ccc(Cc3nnn[nH]3)cc12
CN(C)CCc1c[nH]c2ccc(Cn3cnnn3)cc12
CN(C)CCc1c[nH]c2ccc(Cc3ncnn3C)cc12
CN(C)CCc1c[nH]c2ccc(cc12)-n1cncn1
CN(C)CCc1c[nH]c2ccc(Cc3nnnn3C)cc12
Cc1sc2c(nc(N3CCN(Cc4ccccc4)CC3)c3cccn23)c1C
Clc1ccc(CN2CCN(CC2)c2nc3ccsc3n3cccc23)c(Cl)c1
Clc1ccc(CN2CCN(CC2)c2nc3ccsc3n3cccc23)cc1Cl
FC(F)(F)c1ccccc1CCN1CCN(CC1)c1nc2ccsc2n2cccc12
FC(F)(F)c1cccc(c1)N1CCN(CC1)c1nc2scc(-c3ccccc3)c2n2cccc12
Fc1ccc(cc1)C(=O)N1CCN(CC1)c1nc2ccsc2n2cccc12
FC(F)(F)c1cccc(c1)N1CCN(CC1)c1nc2sc(cc2n2cccc12)-c1ccccc1
Fc1ccc(CN2CCN(CC2)c2nc3ccsc3n3cccc23)cc1
C(N1CCN(CC1)c1nc2sccc2n2cccc12)c1ccccc1
C1CN(CCC1c1ccccc1)c1nc2ccsc2n2cccc12
C(C1CC1)N1CCN(CC1)c1nc2ccsc2n2cccc12
Fc1ccc(cc1)N1CCN(CC1)c1nc2ccsc2n2cccc12
CN1CCN(CC1)c1nc2ccsc2n2cccc12
CCOC(=O)CN1CCN(CC1)c1nc2ccsc2n2cccc12
O=C(CN1CCN(CC1)c1nc2ccsc2n2cccc12)N1CCCC1
C(\C=C\c1ccccc1)N1CCN(CC1)c1nc2ccsc2n2cccc12
C(N1CCN(CC1)c1nc2sccc2n2cccc12)c1ccc2OCOc2c1
CN1CCN(CC1)c1nc2sc(cc2n2cccc12)-c1ccccc1
FC(F)(F)c1cccc(c1)N1CCN(CC1)c1nc2sccc2n2cccc12
C(N1CCN(CC1)c1nc2ccsc2n2cccc12)c1ccc2OCOc2c1
FC(F)(F)c1cccc(c1)N1CCN(CC1)c1nc2ccsc2n2cccc12
Fc1ccc(CN2CCN(Cc3nc4ccsc4n4cccc34)CC2)cc1
C1CN(CCN1)c1nc2cc(sc2n2cccc12)-c1ccccc1
C(N1CCN(CC1)c1nc2sc(cc2n2cccc12)-c1ccccc1)c1ccccc1
C(N1CCN(CC1)c1nc2cc(sc2n2cccc12)-c1ccccc1)c1ccccc1
CN1CCN(CC1)c1nc2sccc2n2cccc12
C1CN(CCN1c1ccccc1)c1nc2ccsc2n2cccc12
C(N1CCN(CC1)c1nc2ccsc2n2cccc12)c1ccccc1
C1CN(CC=C1)c1nc2ccsc2n2cccc12 |c:4|
CCOC(=O)N1CCN(CC1)c1nc2ccsc2n2cccc12
C[N+]1(Cc2ccccc2)CCN(CC1)c1nc2ccsc2n2cccc12
CN1CCN(CC1)c1nc2cc(sc2n2cccc12)-c1ccccc1
C=CCN1CCN(CC1)c1nc2sccc2n2cccc12
Clc1ccc(cc1)N1CCN(CC1)c1nc2ccsc2n2cccc12
Clc1ccc(CN2CCN(CC2)c2nc3sccc3n3cccc23)cc1Cl
C(N1CCN(CC1)c1nc2scc(-c3ccccc3)c2n2cccc12)c1ccccc1
CCCN1CCN(CC1)c1nc2ccsc2n2cccc12
Clc1ccc(cc1)C(N1CCN(CC1)c1nc2ccsc2n2cccc12)c1ccccc1
Fc1ccc(CN2CCN(CC2)c2nc3sccc3n3cccc23)cc1
Clc1ccc(CN2CCN(CC2)c2nc3sccc3n3cccc23)c(Cl)c1
C1CCN(CC1)c1nc2ccsc2n2cccc12
C=CCN1CCN(CC1)c1nc2ccsc2n2cccc12
C1CN(CCN1)c1nc2ccsc2n2cccc12
FC(F)(F)c1cccc(c1)N1CCN(CC1)c1nc2cc(sc2n2cccc12)-c1ccccc1
C1CN(CCO1)c1nc2ccsc2n2cccc12
COc1ccc(CC2NCCc3c2[nH]c2c(C)c(C)ccc32)cc1OC
COc1ccc(CC2NCCc3c2[nH]c2ccccc32)cc1OC
Cc1ccc2NC3C(CCNC3Cc3cccc4ccccc34)c2c1
COc1ccc(CC2NCCc3c2[nH]c2c(Br)c(C)ccc32)cc1OC
COc1ccc(CC2NCCc3c2[nH]c2ccc(C)cc32)c(Br)c1OC
COc1ccc(CC2NCCc3c2[nH]c2ccc(C)cc32)cc1OC
Cc1ccc2NC3C(CCNC3Cc3cccc4ccccc34)c2c1F
O=C(Nc1cccnc1)N1CCc2cc3sccc3cc12
CCn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
Cc1cc2cc3N(CCc3cc2n1C)C(=O)Nc1cccnc1
Cn1ccc2ccc3N(CCc3c12)C(=O)Nc1cccnc1
Cn1ccc2c3N(CCc3ccc12)C(=O)Nc1cccnc1
CCCn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
CN1CCc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
O=C(Nc1cccnc1)N1CCc2cc3n(Cc4ccccc4)ccc3cc12
O=C(Nc1cccnc1)N1CCc2cc3[nH]ccc3cc12
CC(C)n1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
Cn1ccc2cc3CCN(C(=O)Nc4cccnc4)c3cc12
Cn1ccc2c3CCN(C(=O)Nc4cccnc4)c3ccc12
Cc1coc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
Cc1cn(C)c2cc3CCN(C(=O)Nc4ccccc4)c3cc12
Clc1ccc(CN2CCN(CC2)c2nc3cccnc3n3cccc23)c(Cl)c1
COc1ccc2c(c1)nc(N1CCN(CCCCn3cccn3)CC1)c1cccn21
CCOC(=O)N1CCN(CC1)c1nc2cccnc2n2cccc12
Clc1ccc2c(c1)nc(N1CCN(Cc3ccccc3)CC1)c1cccn21
Cc1ccc2c(c1)nc(N1CCN(Cc3ccc(F)cc3)CC1)c1cccn21
Fc1ccc(CN2CCN(CC2)c2nc3ccccc3n3cccc23)cc1
COc1ccc2nc(N3CCN(Cc4ccc(F)cc4)CC3)c3cccn3c2n1
C(N1CCN(CC1)c1nc2ccccc2n2cccc12)c1ccccc1
C(N1CCN(CC1)c1nc2cccnc2n2cccc12)c1ccccc1
C1CN(CCN1)c1nc2cccnc2n2cccc12
C(Oc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c3cccn3c2n1)c1ccccc1
Clc1ccc2c(c1)nc(N1CCN(Cc3ccc4OCOc4c3)CC1)c1cccn21
COc1ccc2c(c1)nc(N1CCN(Cc3ccc(F)cc3)CC1)c1cccn21
C(N1CCN(CC1)c1ccc2nc(N3CCN(Cc4ccccc4)CC3)c3cccn3c2n1)c1ccccc1
C=CCN1CCN(CC1)c1nc2ccc3ncccc3c2n2cccc12
C(N1CCN(CC1)c1nc2cccnc2n2cccc12)c1ccc2OCOc2c1
Clc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c3cccn3c2c1
Cc1ccnc2c1nc(N1CCN(Cc3ccc(F)cc3)CC1)c1cccn21
C=CCN1CCN(CC1)c1nc2cccnc2n2cccc12
Fc1ccc(CN2CCN(CC2)c2nc3cc(Cl)ccc3n3cccc23)cc1
C1CN(CCN1c1ccccc1)c1nc2cccnc2n2cccc12
COc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c3cccn3c2n1
Cc1ccnc2c1nc(N1CCN(Cc3ccccc3)CC1)c1cccn21
C(N1CCN(CC1)c1nc2ccc3ncccc3c2n2cccc12)c1ccccc1
Fc1ccc(CN2CCN(Cc3nc4ccccc4n4cccc34)CC2)cc1
CN1CCN(CC1)c1nc2cccnc2n2cccc12
Fc1ccc(CN2CCN(CC2)c2nc3cccnc3n3cccc23)cc1
C(N1CCN(CC1)c1nc2ccc3ncccc3c2n2cccc12)c1ccc2OCOc2c1
C(N1CCN(CC1)c1ncccc1-n1cccc1)c1ccccc1
Nc1ccc(cc1)S(=O)(=O)c1cc(Br)nc(c1)N1CCNCC1
CNc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(NC)n1
CNc1cc(cc(Br)n1)S(=O)(=O)c1ccc(N)cc1
COc1ccc(cc1OCCN1CCOCC1)N1CCN(C1=O)c1ccc(C)c(c1)C(F)(F)F
COc1ccc(cc1OCCN1CCCCC1)-n1ccn(-c2cc(F)cc(F)c2)c1=O
COc1ccc(cc1OCCN1CCOCC1)N1CCN(C1=O)c1ccc(Cl)c(Cl)c1
COc1ccc(cc1OCCN1CCCCC1)N1CCN(C1=O)c1ccccc1Cl
COc1ccc(cc1OCCN1CCCCC1)N1CCN(C1=O)c1ccc(C)c(c1)C(F)(F)F
COc1ccc(cc1OCCN1CCCCC1)N1CCN(C1=O)c1cccc(F)c1
COc1cc2CCN(C(=O)\C=C\c3ccccc3Cl)c2cc1OCCN1CCCCC1
COc1ccc(cc1OCCN1CCCCC1)-n1cc(O)n(-c2cccc(F)c2)c1=O
COc1ccc(cc1OCCN(C)C)N1CCN(C1=O)c1ccc(Cl)c(Cl)c1
COc1ccc(cc1OCCN1CCCCC1)N1CCN(C1=O)c1ccccc1
Clc1ccc(cc1Cl)N1CCN(C1=O)c1ccc(OCc2ccccn2)nc1
COc1ccc(cc1OCCN1CCCCC1)N1CCN(C1=O)c1cccc(Cl)c1Cl
COc1ccc(cc1OCCN1CCCCC1)-n1ccn(-c2cccc(F)c2)c1=O
COc1ccc(cc1OCCO)N1CCN(C1=O)c1cccc(F)c1
Cc1cc2CCN(C(=O)Nc3ccc(OCc4ccccn4)nc3)c2cc1C(F)(F)F
COc1ccc(cc1OCCN1CCCCC1)N1CCN(C1=O)c1cc(F)cc(F)c1
COc1ccc(cc1OCCN1CCCCC1)N1CCN(C1=O)c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1Cl)N1CCN(C1=O)c1ccc(OCCN2CCCCC2)nc1
COc1ccc(cc1OCCN(C)C)N1CCN(C1=O)c1cccc(F)c1
COc1ccc(cc1OCCN1CCOCC1)N1CCN(C1=O)c1cccc(F)c1
Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCS4(=O)=O)CC3)cccc2n1
Cc1ccc2c(OCCN3CCC(Cc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1
Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
CCOC(=O)c1oc2CC(CN3CCC(CC3)c3noc4cc(F)ccc34)CC(=O)c2c1C
COC(=O)c1coc2CC(CN3CCC(CC3)c3noc4cc(F)ccc34)CC(=O)c12
CCOC(=O)c1oc2CC(CN3CCC(CC3)C(=O)c3ccc(F)cc3)CC(=O)c2c1C
Fc1ccc(cc1)C(=O)C1CCN(CC2Cc3oc(cc3C(=O)C2)-c2ccccc2)CC1
Fc1ccc(cc1)C(=O)C1CCN(CC2Cc3occc3C(=O)C2)CC1
Fc1ccc2c(noc2c1)C1CCN(C[C@H]2Cc3occc3C(=O)C2)CC1 |r|
Fc1ccc2c(noc2c1)C1CCN(CCC2CCc3occc3C2=O)CC1
Fc1ccc2c(noc2c1)C1CCN(CC2Cc3occc3C(=O)C2)CC1
Fc1ccc(cc1)C(=O)N1CCN(CC2Cc3occc3C(=O)C2)CC1
Fc1ccc2c(noc2c1)C1CCN(CC2Cc3oc(cc3C(=O)C2)-c2ccccc2)CC1
Fc1ccc2c(noc2c1)C1CCN(C[C@@H]2Cc3occc3C(=O)C2)CC1 |r|
Fc1ccc(cc1)C(=O)C1CCN(CCC2CCc3occc3C2=O)CC1
COC(=O)c1coc2CC(CN3CCC(CC3)C(=O)c3ccc(F)cc3)CC(=O)c12
Clc1c(cnn(Cc2cccc(NC(=O)c3ccc(cc3)-c3ccccc3)c2)c1=O)N1CCNCC1
Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(cc1)-c1ccccc1
Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1ccccc1
COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)c1C
Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1cccc(c1)C(N)=O
COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(cc2=O)N2CCNCC2)c1C
Cc1c(Cn2ncc(cc2=O)N2CCNCC2)cccc1NC(=O)c1ccc(cc1)-c1ccccc1
Fc1ccc2c(noc2c1)C1CCN(CC2CC(=O)c3cncnc3C2)CC1
CSc1ncc2C(=O)CC(CN3CCC(CC3)c3noc4cc(F)ccc34)Cc2n1
CNc1ncc2C(=O)CC(CN3CCC(CC3)c3noc4cc(F)ccc34)Cc2n1
OC(=O)CCN1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:12|
CC(C)(CN1CCCN(CC1)C1=Cc2ccccc2Cn2ccnc12)C(O)=O |t:12|
CC1CN(CC(C)N1CCC(O)=O)C1=Cc2ccccc2Cn2ccnc12 |t:14|
OC(=O)C(=C)CN1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:13|
OC(=O)C1CC(C1)N1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:15,(5.93,-34.54,;4.41,-34.32,;3.85,-32.88,;3.45,-35.52,;3.63,-37.05,;2.1,-37.22,;1.92,-35.69,;1.14,-38.42,;1.7,-39.85,;.75,-41.05,;-.77,-40.83,;-1.34,-39.4,;-.38,-38.2,;-1.72,-42.04,;-3.23,-41.71,;-4.44,-42.68,;-5.78,-41.92,;-7.1,-42.69,;-7.1,-44.23,;-5.77,-45,;-4.44,-44.22,;-3.22,-45.18,;-1.71,-44.83,;-.58,-45.89,;.78,-45.14,;.49,-43.62,;-1.05,-43.43,)|
OC(=O)C1CCC(CC1)N1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:17,(4.66,4.39,;3.14,4.62,;2.58,6.05,;2.18,3.42,;2.74,1.98,;1.78,.79,;.25,1.02,;-.31,2.45,;.66,3.65,;-.71,-.18,;-.15,-1.61,;-1.1,-2.81,;-2.62,-2.58,;-3.19,-1.16,;-2.23,.05,;-3.57,-3.79,;-5.08,-3.46,;-6.29,-4.44,;-7.62,-3.67,;-8.95,-4.44,;-8.95,-5.98,;-7.62,-6.75,;-6.29,-5.98,;-5.07,-6.94,;-3.56,-6.59,;-2.42,-7.65,;-1.07,-6.89,;-1.36,-5.38,;-2.9,-5.18,)|
Cc1nc2C(=Cc3ccccc3Cn2c1C)N1CCN(CC(C)(C)C(O)=O)CC1 |c:4|
CC(C)(CN1CCN(CC1)C1=Cc2ccccc2Cn2cc(Cl)nc12)C(O)=O |t:11|
CC(C)(CN1CCN(CC1)C1=Cc2ccccc2Cn2c(Cl)cnc12)C(O)=O |t:11|
COc1cnc2C(=Cc3ccccc3Cn12)N1CCN(CC(C)(C)C(O)=O)CC1 |c:6|
C1CN(CCN1)C1=Cc2ccccc2Cn2ccnc12 |t:7|
CC(C)(CN1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12)C(O)=O |t:11|
Cc1cn2Cc3ccccc3C=C(N3CCN(CC(C)(C)C(O)=O)CC3)c2n1 |t:12|
CC(C)(CN1CCN(CC1)C1=Cc2ccccc2Cn2cc(F)nc12)C(O)=O |t:11|
NCCc1coc2ccc(cc12)C(N)=O
NCCC1COc2ccc(cc12)C(N)=O
CN(C)CCc1coc2ccc(cc12)C(N)=O
CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)CC1COc2cccc(OC)c2C1
CCCN(CCC)CC1COc2cccc(OC)c2C1
O=C1CC2(CCCC2)CC(=O)N1CCCCNCC1COc2ccccc2C1
COc1cccc2OCC(CNCCCCN3C(=O)CC4(CCCC4)CC3=O)Cc12
CCCN(CCC)CC1(COc2cccc(OC)c2C1)N(CCC)CCC
CCCN1CCN(Cc2ccccc2)CC11COc2cccc(OC)c2C1
CCCN1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC11COc2cccc(OC)c2C1
COc1cccc2OCC3(CCCN3CCCCN3C(=O)CC4(CCCC4)CC3=O)Cc12
CCCN1CCN(CCC)C2(COc3cccc(OC)c3C2)C1
CN(C)CC1CC2N(O1)c1ccccc1Cc1ncccc21
CN(C)CC1CC2N(O1)c1cnccc1Cc1ccccc21
FC(F)(F)c1cccc2[C@@H]3CNC[C@@H]3NC(=O)c12 |r|
CCc1cc2[C@H]3CNC[C@@H]3N(C)C(=O)c2c(c1)C(F)(F)F |r|
Cc1cc(cc2[C@H]3CNC[C@@H]3NC(=O)c12)C1CC1 |r|
Cc1cc(C)c2C(=O)N[C@H]3CNC[C@@H]3c2c1 |r|
CC(C)c1cc(C)c2C(=O)N[C@H]3CNC[C@@H]3c2c1 |r|
CCc1cc(Cl)c2C(=O)N(C)[C@H]3CNC[C@@H]3c2c1 |r|
Clc1cccc2[C@H]3CNC[C@@H]3NC(=O)c12 |r|
FC(F)(F)c1cccc2[C@@H]3CNC[C@H]3NC(=O)c12 |r|
CCc1ccc(Cl)c2C(=O)N[C@H]3CNC[C@@H]3c12 |r|
CCc1cc(C)c2C(=O)N[C@H]3CNC[C@@H]3c2c1 |r|
CN1[C@H]2CNC[C@@H]2c2cccc(c2C1=O)C(F)(F)F |r|
CCc1cc(Cl)c2C(=O)N[C@H]3CNC[C@@H]3c2c1 |r|
O=C1N[C@H]2CNC[C@@H]2c2ccccc12 |r|
CCc1cc2[C@H]3CNC[C@@H]3NC(=O)c2c(c1)C(F)(F)F |r|
COc1ccc(-c2cc3[C@@H]4CNCC[C@@H]4N4CCCc(c2)c34)c(c1)C(F)(F)F |r|
C1C[C@H]2[C@@H](CN1)c1cccc3SCCCN2c13 |r|
CCCc1cc(Cl)c2C(=O)N[C@H]3CNC[C@@H]3c2c1 |r|
Cc1cc(Cl)c2C(=O)N[C@H]3CNC[C@@H]3c2c1 |r|
Clc1ccc2[C@H]3CNC[C@@H]3NC(=O)c2c1Cl |r|
FC(F)(F)c1cccc2[C@H]3CNC[C@@H]3NC(=O)c12 |r|
Cc1ccc2[C@H]3CNC[C@@H]3NC(=O)c2c1Cl |r|
Cc1cccc2[C@H]3CNC[C@@H]3NC(=O)c12 |r|
CN1C[C@@H]2[C@@H](C1)c1cc(Cl)ccc1Oc1ccccc21
CCOc1noc2CCNCCc12
COc1noc2CCNCCc12
CCn1oc2CCN(C)CCc2c1=O
CN1CCc2on(C)c(=O)c2CC1
O=c1c2CCNCCc2on1Cc1ccccc1
CCCn1oc2CCNCCc2c1=O
CCn1oc2CCNCCc2c1=O
Cn1oc2CCNCCc2c1=O
O=c1[n-]oc2CC[NH2+]CCc12
C(Oc1noc2CCNCCc12)c1ccccc1
Ic1ccc(Cn2oc3CCNCCc3c2=O)cc1
Ic1cccc(Cn2oc3CCNCCc3c2=O)c1
Ic1ccccc1Cn1oc2CCNCCc2c1=O
CCOc1noc2CCN(C)CCc12
COc1noc2CCN(C)CCc12
O=c1c2CNCCCc2on1Cc1ccccc1
O=c1c2CNCCc2on1Cc1ccccc1
CCn1oc2CCNCc2c1=O
Cn1oc2CCNCc2c1=O
CCOc1noc2CNCCc12
CCn1oc2CNCCc2c1=O
Oc1ccc(cc1)N1CCN(Cc2cnn(c2)-c2ccc(Cl)cc2)CC1
FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
COc1ccc(cc1)N1CCC(C1=O)c1ccc(OC)c(OCCN2CCCCC2)c1
COc1ccc(cc1)N1CC=C(C1=O)c1ccc(OC)c(OCCN2CCCCC2)c1 |c:11|
COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1ccc(Br)cc1 |c:22|
COc1ccc(cc1OCCN1CCC(F)(F)CC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:23|
COc1ccc(cc1OCCN1CCC(C)CC1)N1CCC(C1=O)c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1Cl)C1=CCN(C1=O)c1ccc(Cl)c(OCCN2CCCCC2)c1 |t:9|
COc1ccc(cc1OCCN1CCCCC1)N1CCC(C1=O)c1ccc(F)cc1
COc1ccc(cc1OCCN1CCC(CC1)C(C)C)N1CCC(C1=O)c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1Cl)C1CCN(C1=O)c1ccc(Cl)c(OCCN2CCCCC2)c1
COc1ccc(cc1OCCN1CCCCC1)C1=CCN(C1=O)c1ccc(Cl)c(Cl)c1 |t:19|
COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1cccc(F)c1 |c:21|
FC(F)(F)Oc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:24|
COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1cccc(Cl)c1 |c:21|
COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1ccc(cc1)C(F)(F)F |c:22|
COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1ccc(F)cc1 |c:22|
COc1ccc(cc1OCCN1CCCCC1)N1CCC(C1=O)c1ccc(Cl)c(Cl)c1
COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1ccc(Cl)cc1 |c:22|
COc1ccc(cc1OCCN1CCCCC1)C1CCN(C1=O)c1cccc(F)c1
Cc1ccc(cc1OCCN1CCCCC1)N1CCC(C1=O)c1ccc(Cl)c(Cl)c1
COc1ccc(cc1OCCN1CCCCC1)C1CCN(C1=O)c1ccc(Cl)c(Cl)c1
COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1cccc(Cl)c1 |c:22|
COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(Br)cc1 |c:21|
COc1ccc(cc1OCCN1CCC(C)(C)CC1)N1CCC(C1=O)c1ccc(Cl)c(Cl)c1
COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1ccc(C)cc1 |c:22|
COc1ccc(cc1OCCN1CCCCC1)N1CCC(C1=O)c1cccc(F)c1
COc1ccc(cc1OCCN1CCOCC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:21|
COc1ccc(cc1OCCN1CCCCC1)C1=C(C)CN(C1=O)c1ccc(Cl)cc1 |c:19|
COc1ccc(cc1OCCN1CCCCC1)C1(C)CCN(C1=O)c1ccc(Cl)c(Cl)c1
COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1cccc(c1)C(F)(F)F |c:21|
COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(F)cc1 |c:21|
COc1ccc(cc1OCCN1CCCCC1)C1=CCN(C1=O)c1cccc(F)c1 |t:19|
COc1ccc(cc1OCCN1CCCC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:20|
COc1ccc(cc1F)N1CC=C(C1=O)c1ccc(OC)c(OCCN2CCCCC2)c1 |c:12|
COc1ccc(cc1OCCN1CCC(C)CC1)N1CCC(C)(C1=O)c1ccc(Cl)c(Cl)c1
COc1ccc(cc1Cl)N1CCC(C1=O)c1ccc(OC)c(OCCN2CCCCC2)c1
COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1ccc(Cl)c(F)c1 |c:22|
FC(F)(F)Oc1ccc(cc1OCCN1CCCCC1)N1CCC(C1=O)c1ccc(Cl)c(Cl)c1
COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(C)cc1 |c:21|
COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(cc1)C(F)(F)F |c:21|
COc1ccc(cc1OCCN1CCC(CC1)C(C)C)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:24|
COc1ccc(cc1OCCN1CCCCC1)N1CCC(C1=O)c1cccc(Cl)c1
COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:21|
COc1ccc(cc1OCCN1CCCCC1)C1=C(C)CN(C1=O)c1ccc(Cl)c(Cl)c1 |c:19|
COc1ccc(cc1OCCN1CCCCC1)N1CCC(C)(C1=O)c1ccc(Cl)c(Cl)c1
COc1ccc(cc1Cl)N1CC=C(C1=O)c1ccc(OC)c(OCCN2CCCCC2)c1 |c:12|
CC(=O)Nc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:23|
COc1ccc(cc1F)N1CCC(C1=O)c1ccc(OC)c(OCCN2CCCCC2)c1
Clc1ccc(cc1Cl)C1=CCN(C1=O)c1ccc(N2CCCC2)c(OCCN2CCCCC2)c1 |t:9|
CC(=O)Nc1ccc(cc1OCCN1CCCCC1)N1CCC(C1=O)c1ccc(Cl)c(Cl)c1
Cc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:20|
COc1ccc(cc1OCCN1CCC(C)(C)CC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:23|
COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(Cl)cc1 |c:21|
COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:22|
[H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)CC[C@@]1([H])c1cccc3OCCN2c13 |r|
[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)c3ccc(F)cc3)C[C@@]1([H])c1cccc3N(CC)CCN2c13 |r|
[H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3N(CCN2c13)C(C)C |r|
[H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3N(CCCC)CCN2c13 |r|
[H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3N(Cc4ccccc4)CCN2c13 |r|
[H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cc(Br)cc3N(C)CCN2c13 |r|
[H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cc(OC)cc3N(C)CCN2c13 |r|
[H][C@]12CCN(CCCC(=O)c3ccccc3)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r|
[H][C@]12CCN(CCCC(=O)c3ccncc3)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r|
[H][C@]12CCN(CCCC(=O)N3CCC(F)(F)CC3)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(CCCc3noc4ccccc34)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r|
[H][C@]12CCN(CCCc3noc4cc(F)ccc34)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r|
[H][C@]12CCN(CC3CC(=NO3)c3ccc(F)cc3)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r,c:8|
[H][C@]12CCN(CCc3cc4CC(=O)Nc4cc3Cl)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r|
[H][C@]12CCN(CCCCN3C(=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])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])c1cccc3NCCN2c13 |r|
[H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)CC[C@@]1([H])c1cccc3N(C)CCN2c13 |r|
[H][C@@]12CCN(CCCC(=O)c3ccc(F)cc3)CC[C@]1([H])c1cccc3N(C)CCN2c13 |r|
[H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3N(C)CC(C)N2c13 |r|
[H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3N(C)CC(C)(C)N2c13 |r|
[H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3CCCN2c13 |r|
[H][C@@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@]1([H])c1cccc3CCCN2c13 |r|
[H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3CCN2c13 |r|
[H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3CCCCN2c13 |r|
[H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3SCCN2c13 |r|
[H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3OCCN2c13 |r|
O=C1CC(CN1c1cnc2c(cccc2c1)N1CCNCC1)c1ccccc1
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
O=C(Nc1cccnc1)Nc1ccc2ccccc2c1
CCn1ccc2cc(NC(=O)Nc3ccc(OC(CCN(C)C)c4ccccc4)cc3)ccc12
CN(C)CCC(Oc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)c1ccccc1
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
CSc1ccc(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
COc1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(CCN(C)C)c1ccccc1
COc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC(CCN(C)C)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
C(CN1CCN(CC1)c1ncccn1)Cc1nc2ccccc2s1
Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2cc3ccccc3s2)CC1
Oc1nc(Cc2ccccc2)nc2CCNCCc12
Nc1nc(Cc2ccccc2)nc2CCNCCc12
COc1nc(Cc2ccccc2)nc2CCNCCc12
CNc1nc(Cc2ccccc2)nc2CCNCCc12
CCNc1nc(Cc2ccccc2)nc2CCNCCc12
CN(C)c1nc(Cc2ccccc2)nc2CCNCCc12
C(c1ccccc1)c1nc2CCNCCc2c(n1)N1CCOCC1
CNc1nc(nc2CCNCCc12)C(C)c1ccccc1
CNc1nc(nc2CCNCCc12)C(C)(C)c1ccccc1
CNc1nc(nc2CCNCCc12)C1(CC1)c1ccccc1
CNc1nc(Cc2ccccc2)nc2[C@H](C)CNCCc12 |r|
CNc1nc(Cc2ccccc2)nc2[C@@H](C)CNCCc12 |r|
CNc1nc(nc2CCNCCc12)C(F)(F)c1ccccc1
Fc1cccc(c1)S(=O)(=O)n1cc2CC3CNCCN3c3cccc1c23
CNc1cc(NS(=O)(=O)c2ccc(N)cc2)cc(NC)n1
O=S(=O)(c1ccccc1)n1cc2CC3CNCCN3c3cccc1c23
Cc1ccccc1S(=O)(=O)n1cc2CC3CNCCN3c3cccc1c23
Cc1cccc(c1)S(=O)(=O)n1cc2CC3CNCCN3c3cccc1c23
Cc1ccc(cc1)S(=O)(=O)n1cc2CC3CNCCN3c3cccc1c23
Fc1ccccc1S(=O)(=O)n1cc2CC3CNCCN3c3cccc1c23
Fc1ccc(cc1)S(=O)(=O)n1cc2CC3CNCCN3c3cccc1c23
Clc1ccccc1S(=O)(=O)n1cc2CC3CNCCN3c3cccc1c23
O=S(=O)(C1=CC=C=C=C1)n1cc2CC3CNCCN3c3cccc1c23 |t:3,(30.87,-26.22,;29.38,-26.62,;30.48,-27.71,;28.35,-27.78,;26.85,-27.45,;25.81,-28.6,;26.29,-30.07,;27.81,-30.38,;28.84,-29.23,;28.91,-25.16,;29.81,-23.92,;28.78,-22.39,;28.79,-20.85,;27.46,-20.08,;27.46,-18.54,;26.12,-17.76,;24.79,-18.54,;24.79,-20.08,;26.12,-20.85,;26.12,-22.38,;24.8,-23.14,;24.79,-24.67,;26.12,-25.44,;27.45,-24.69,;27.45,-23.15,)|
Clc1ccc(cc1)S(=O)(=O)n1cc2CC3CNCCN3c3cccc1c23
COc1ccccc1S(=O)(=O)n1cc2CC3CNCCN3c3cccc1c23
COc1cccc(c1)S(=O)(=O)n1cc2CC3CNCCN3c3cccc1c23
COc1ccc(cc1)S(=O)(=O)n1cc2CC3CNCCN3c3cccc1c23
FC(F)C(F)(F)COc1cccc(CNCCc2c[nH]c3cc(F)ccc23)c1
O=C(NCCCCN1CCN(CC1)c1ccccc1)c1cc2ccccc2o1
Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1C
COc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Cc1cccc(n1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
O=C(NCCCCN1CCN(Cc2ccccc2)CC1)c1cc2ccccc2o1
Fc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1
COc1cccc(c1)N1CCN(CCCCNC(=O)c2c[nH]c3ccccc23)CC1
COc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3n2C)CC1
Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
O=C(NCCCCN1CCN(CC1)c1ccccc1)c1cc2ccccc2cn1
Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
COc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
O=C(NCCCCN1CCN(CC1)c1ccccn1)c1cc2ccccc2cn1
Cc1cccc(n1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
O=C(NCCCCN1CCN(CC1)c1ncccn1)c1cc2ccccc2cn1
O=C(NCCCCN1CCN(CC1)c1cnc2ccccc2c1)c1cc2ccccc2cn1
Fc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
Fc1ccc(cc1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
Oc1ccc(cc1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
O=C(NCCCCN1CCN(CC1)c1ccccc1)c1ccc2ccccc2n1
Cc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc3ccccc3n2)CC1
COc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc3ccccc3n2)CC1
O=C(NCCCCN1CCN(CC1)c1ccccn1)c1ccc2ccccc2n1
O=C(NCCCCN1CCN(CC1)c1ccccc1)[C@H]1CCc2ccccc2N1 |r|
Cc1cccc(c1)N1CCN(CCCCNC(=O)[C@H]2CCc3ccccc3N2)CC1 |r|
O=C(NCCCCN1CCN(CC1)c1ccccc1)[C@@H]1CCc2ccccc2N1 |r|
Cc1cccc(c1)N1CCN(CCCCNC(=O)[C@@H]2CCc3ccccc3N2)CC1 |r|
O=C(NCCCCN1CCN(CC1)c1ccccc1)c1ccc2ncccc2c1
Cc1cccc(n1)N1CCN(CCCCNC(=O)c2ccccc2)CC1
COc1cccc(n1)N1CCN(CCCCNC(=O)c2ccccc2)CC1
O=C(NCCCCN1CCN(CC1)c1cccc2ccccc12)c1ccccc1
O=C(NCCCCN1CCN(CC1)c1cnc2ccccc2c1)c1ccccc1
O=C(NCCCCN1CCN(CC1)c1ccccc1)c1ccccn1
COc1cccc(c1)N1CCN(CCCCNC(=O)c2ccccn2)CC1
Cc1cccc(n1)N1CCN(CCCCNC(=O)c2ccccn2)CC1
COc1cccc(n1)N1CCN(CCCCNC(=O)c2ccccn2)CC1
COc1cccc(c1)N1CCN(CCCCNC(=O)c2cccc(C)n2)CC1
O=C(NCCCCN1CCN(CC1)c1ccccc1)c1cccnc1
COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C
[#6]C1([#8])c2ccccc2-c2ccc(cc12)-[#6](=O)[#7]=[#6]([#7])-[#7]
OC1(CCN(CCCOc2ccc(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)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(CCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1
COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1
CN(C)\C=N\N=C\c1cn(c2cccc([N+]([O-])=O)c12)S(=O)(=O)c1ccc(C)cc1
COc1ccc(cc1)S(=O)(=O)n1cc(\C=N\N=C\N(C)C)c2c(cccc12)[N+]([O-])=O
CN(C)\C=N\N=C\c1cn(c2cccc([N+]([O-])=O)c12)S(=O)(=O)c1ccc2ccccc2c1
CN(C)[C@@H]1C[C@@H](c2ccccc2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@H](c2ccccc2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@@H](c2cccc(F)c2)c2ccccc2C1
CN(C)[C@H]1C[C@H](c2cccc(F)c2)c2ccccc2C1
CN(C)[C@@H]1C[C@@H](c2cccc(Cl)c2)c2ccccc2C1
CN(C)[C@H]1C[C@H](c2cccc(Cl)c2)c2ccccc2C1
CN(C)[C@@H]1C[C@@H](c2cccc(Br)c2)c2ccccc2C1
CN(C)[C@H]1C[C@H](c2cccc(Br)c2)c2ccccc2C1
CN(C)[C@@H]1C[C@@H](c2cccc(c2)C(F)(F)F)c2ccccc2C1
CN(C)[C@H]1C[C@H](c2cccc(c2)C(F)(F)F)c2ccccc2C1
CN(C)[C@@H]1C[C@@H](c2cccc(c2)[N+]([O-])=O)c2ccccc2C1
CN(C)[C@H]1C[C@H](c2cccc(c2)[N+]([O-])=O)c2ccccc2C1
CN(C)[C@@H]1C[C@@H](c2ccc(F)cc2)c2ccccc2C1
CN(C)[C@H]1C[C@H](c2ccc(F)cc2)c2ccccc2C1
CN(C)[C@@H]1C[C@@H](c2ccc(Cl)cc2)c2ccccc2C1
CN(C)[C@H]1C[C@H](c2ccc(Cl)cc2)c2ccccc2C1
CN(C)[C@@H]1C[C@@H](c2ccc(Br)cc2)c2ccccc2C1
CN(C)[C@H]1C[C@H](c2ccc(Br)cc2)c2ccccc2C1
CN(C)[C@@H]1C[C@@H](c2ccc(cc2)C(F)(F)F)c2ccccc2C1
CN(C)[C@H]1C[C@H](c2ccc(cc2)C(F)(F)F)c2ccccc2C1
CN(C)[C@@H]1C[C@@H](c2ccc(cc2)[N+]([O-])=O)c2ccccc2C1
CN(C)[C@@H]1C[C@@H](c2ccccc2Br)c2ccccc2C1
CN(C)[C@H]1C[C@H](c2ccccc2Br)c2ccccc2C1
CN(C)[C@@H]1C[C@@H](C2CCCCC2)c2ccccc2C1
CN(C)[C@H]1C[C@H](C2CCCCC2)c2ccccc2C1
CN(C)[C@@H]1C[C@@H](C2CCCCCCC2)c2ccccc2C1
CN(C)[C@H]1C[C@H](C2CCCCCCC2)c2ccccc2C1
CN(C)[C@@H]1C[C@@H](c2cccc(c2)-c2ccccc2)c2ccccc2C1
CN(C)[C@H]1C[C@H](c2cccc(c2)-c2ccccc2)c2ccccc2C1
CN(C)[C@@H]1C[C@@H](c2ccccc2Cl)c2ccccc2C1
CN(C)[C@H]1C[C@H](c2ccccc2Cl)c2ccccc2C1
CN(C)[C@@H]1C[C@@H](c2ccccc2C)c2ccccc2C1
CN(C)[C@H]1C[C@H](c2ccccc2C)c2ccccc2C1
CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3NCc4cccc(c4)I)O)O
NC(=O)c1ccccc1OCCCN1CCN(CC1)c1cccc2n(ccc12)S(=O)(=O)c1ccccc1
CCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN
CCOc1ccc(Cl)cc1[C@H]1C[C@@H]1CN
CCCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN
CCCOc1ccc(Cl)cc1[C@H]1C[C@@H]1CN
CCCCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN
CCCCOc1ccc(Cl)cc1[C@H]1C[C@@H]1CN
CC(C)Oc1ccc(Cl)cc1[C@@H]1C[C@H]1CN
CC(C)Oc1ccc(Cl)cc1[C@H]1C[C@@H]1CN
NC[C@@H]1C[C@H]1c1cc(Cl)ccc1OCC1CC1
NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCC1CC1
COCCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN
COCCOc1ccc(Cl)cc1[C@H]1C[C@@H]1CN
CSCCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN
CSCCOc1ccc(Cl)cc1[C@H]1C[C@@H]1CN
NC[C@@H]1C[C@H]1c1cc(Cl)ccc1OCC=C
NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCC=C
NC[C@@H]1C[C@H]1c1cc(Cl)ccc1OCC#C
NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCC#C
NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCC(F)=C
CC(=C)COc1ccc(Cl)cc1[C@H]1C[C@@H]1CN
NC[C@@H]1C[C@H]1c1cc(Cl)ccc1OCCF
NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCCF
NC[C@@H]1C[C@H]1c1cc(Cl)ccc1OCC(F)F
NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCC(F)F
NC[C@@H]1C[C@H]1c1cc(Cl)ccc1OCCCF
NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCCCF
CCCOc1ccc(F)cc1[C@@H]1C[C@H]1CN
CCCOc1ccc(F)cc1[C@H]1C[C@@H]1CN
NC[C@@H]1C[C@H]1c1cc(F)ccc1OCC=C
NC[C@H]1C[C@@H]1c1cc(F)ccc1OCC=C
NC[C@@H]1C[C@H]1c1cc(F)ccc1OCC(F)=C
NC[C@H]1C[C@@H]1c1cc(F)ccc1OCC(F)=C
NC[C@@H]1C[C@H]1c1cc(F)ccc1OCCF
NC[C@H]1C[C@@H]1c1cc(F)ccc1OCCF
C(Nc1nc(Cc2ccccc2)cc2CCNCCc12)c1ccccc1
C(Nc1nc(Cc2ccccc2)cc2CCNCCc12)C1CC1
CC(C)CNc1nc(Cc2ccccc2)cc2CCNCCc12
CCNc1nc(Cc2ccccc2)cc2CCNCCc12
CNc1nc(Cc2ccccc2)cc2CCNCCc12
CCCNc1nc(Cc2ccccc2)cc2CCNCCc12
CC(C)Nc1nc(Cc2ccccc2)cc2CCNCCc12
CN(C)c1nc(Cc2ccccc2)cc2CCNCCc12
C(c1ccccc1)c1cc2CCNCCc2cn1
COc1cc-2c(C[C@@H]3N(C)CCc4cc(OC)c(OC)c-2c34)cc1O |r|
COc1cc(CCNCc2cccc3OCOc23)c(OC)cc1Br
COc1cc(CCNCc2cccc3ccoc23)c(OC)cc1Br
COc1cc(CCNCc2cccc3ccsc23)c(OC)cc1Br
COc1cc(CCNCc2cccc3ncoc23)c(OC)cc1Br
COc1cc(CCNCc2cccc3CCOc23)c(OC)cc1Br
COc1cc(CCNCc2cccc3nc[nH]c23)c(OC)cc1Br
COc1cc(CCNCc2cccc3cn[nH]c23)c(OC)cc1Br
COc1cc(CCNCc2cccc3cc[nH]c23)c(OC)cc1Br
COc1cc(CCNCc2ccc[nH]c2=O)c(OC)cc1Br
COc1cc(CCNCc2cccnc2OC)c(OC)cc1Br
COc1cc(CCNCc2ccccn2)c(OC)cc1Br
COc1cc(CCNCc2cccnc2)c(OC)cc1Br
COc1cc(CCNCc2ccncc2)c(OC)cc1Br
COc1cccc(CNCCc2cc(OC)c(Br)cc2OC)c1OC
COc1ccc(CNCCc2cc(OC)c(Br)cc2OC)c(OC)c1
COc1ccc(OC)c(CNCCc2cc(OC)c(Br)cc2OC)c1
COc1cccc(OC)c1CNCCc1cc(OC)c(Br)cc1OC
COc1cccc(CNCCc2cc(OC)c(Br)cc2OC)c1F
COc1cccc(CNCCc2cc(OC)c(Br)cc2OC)c1O
COc1cccc(CNCCc2cc(OC)c(Br)cc2OC)c1
COc1cc(CCNCc2cccc(O)c2)c(OC)cc1Br
OC(CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl
O=C(NCCCCN1CCN(CC1)c1cccc2ccccc12)c1cc2ccccc2[nH]1
Fc1ccc2[nH]c(cc2c1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cnc3ccccc3c2)CC1
O=C(NCCCCN1CCN(CC1)c1cccc2ccccc12)c1cnc2ccccc2c1
OC(CCNC(=O)c1cnc2ccccc2c1)CN1CCN(CC1)c1cccc2ccccc12
COc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2cnc3ccccc3c2)CC1
COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(cc2)-c2nc3ccccc3o2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(Cc3nc4ccccc4o3)cc2)CC1
CN(CC(=O)N1CCOCC1)CC(=O)c1c([nH]c2ccccc12)-c1ccccc1
CN(CCN1CCOCC1)CC(=O)c1c([nH]c2ccccc12)-c1ccccc1
COc1ccc(cc1)-c1[nH]c2ccccc2c1C(=O)CN(C)CC(=O)N1CCOCC1
O=C(CN1CCCC(C1)C(=O)N1CCOCC1)c1c([nH]c2ccccc12)-c1ccccc1
Clc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
COc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
C=CCN(CCc1c[nH]c2ccccc12)CC=C
Brc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Cc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Fc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
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)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)N2CCc3cc(C)c(Cl)cc23)cc1
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
CN(C)CCC(Oc1ccc(NC(=O)N2CCc3cc(C)c(Cl)cc23)cc1)c1ccccc1
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
COc1ccc2ccc3occ(CNC(C)=O)c3c2c1
COc1ccc2ccc3occ(CCNC(C)=O)c3c2c1
COc1ccc2ccc3oc(CNC(C)=O)cc3c2c1
COc1ccc2ccc3oc(CCNC(C)=O)cc3c2c1
COc1ccc2ccc3occ(CNC(=O)C4CC4)c3c2c1
COc1ccc2ccc3occ(CCNC(=O)C4CC4)c3c2c1
COc1ccc2ccc3oc(CNC(=O)C4CC4)cc3c2c1
COc1ccc2ccc3oc(CCNC(=O)C4CC4)cc3c2c1
COc1ccc2ccc3occ(CNC(=O)C(C)C)c3c2c1
COc1ccc2ccc3occ(CNC(=O)CF)c3c2c1
COc1ccc2ccc3oc(CNC(=O)CF)cc3c2c1
CNC(=O)NCc1cc2c(ccc3ccc(OC)cc23)o1
CCNC(=O)NCCc1coc2ccc3ccc(OC)cc3c12
CCNC(=O)NCc1cc2c(ccc3ccc(OC)cc23)o1
CCNC(=O)NCCc1cc2c(ccc3ccc(OC)cc23)o1
CNC(=S)NCc1cc2c(ccc3ccc(OC)cc23)o1
CCNC(=S)NCc1cc2c(ccc3ccc(OC)cc23)o1
O=C(NCCN1CCN(CC1)c1ccccn1)c1ccncc1
O=C(NCCN1CCN(CC1)c1ncccn1)c1ccncc1
O=C(NCCN1CCN(Cc2ccc3OCOc3c2)CC1)c1ccncc1
O=C(NCCN1CCN(CC1)C(=O)c1ccco1)c1ccncc1
Clc1ccc(cc1)C(N1CCN(CCNC(=O)c2ccncc2)CC1)c1ccccc1
Fc1ccc(cc1)C(N1CCN(CCNC(=O)c2ccncc2)CC1)c1ccc(F)cc1
O=C(NCCN1CCN(CC1)c1cccc2ccccc12)c1ccncc1
O=C(NCCCN1CCN(CC1)c1ccccc1)c1ccncc1
COc1ccccc1N1CCN(CCCNC(=O)c2ccncc2)CC1
COc1ccc(cc1)N1CCN(CCCNC(=O)c2ccncc2)CC1
CCOc1ccccc1N1CCN(CCCNC(=O)c2ccncc2)CC1
O=C(NCCCN1CCN(CC1)c1ccccc1C#N)c1ccncc1
Cc1ccccc1N1CCN(CCCNC(=O)c2ccncc2)CC1
Cc1cccc(N2CCN(CCCNC(=O)c3ccncc3)CC2)c1C
Clc1ccccc1N1CCN(CCCNC(=O)c2ccncc2)CC1
Clc1cccc(c1)N1CCN(CCCNC(=O)c2ccncc2)CC1
Clc1ccc(cc1)N1CCN(CCCNC(=O)c2ccncc2)CC1
Clc1ccc(cc1Cl)N1CCN(CCCNC(=O)c2ccncc2)CC1
Fc1ccccc1N1CCN(CCCNC(=O)c2ccncc2)CC1
Fc1ccc(cc1)N1CCN(CCCNC(=O)c2ccncc2)CC1
O=C(NCCCN1CCN(CC1)c1ccccn1)c1ccncc1
O=C(NCCCN1CCN(CC1)c1ncccn1)c1ccncc1
O=C(NCCCN1CCN(Cc2ccc3OCOc3c2)CC1)c1ccncc1
O=C(NCCCN1CCN(CC1)C(=O)c1ccco1)c1ccncc1
Clc1ccc(cc1)C(N1CCN(CCCNC(=O)c2ccncc2)CC1)c1ccccc1
Fc1ccc(cc1)C(N1CCN(CCCNC(=O)c2ccncc2)CC1)c1ccc(F)cc1
O=C(NCCCN1CCN(CC1)c1cccc2ccccc12)c1ccncc1
O=C(NCCN1CCN(CC1)c1ccccc1)c1ccncc1
COc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1
COc1ccc(cc1)N1CCN(CCNC(=O)c2ccncc2)CC1
CCOc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1
O=C(NCCN1CCN(CC1)c1ccccc1C#N)c1ccncc1
Cc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1
Cc1cccc(N2CCN(CCNC(=O)c3ccncc3)CC2)c1C
Clc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1
Clc1cccc(c1)N1CCN(CCNC(=O)c2ccncc2)CC1
Clc1ccc(cc1Cl)N1CCN(CCNC(=O)c2ccncc2)CC1
Fc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1
Fc1ccc(cc1)N1CCN(CCNC(=O)c2ccncc2)CC1
COc1ccccc1N1CCN(CCCCCC(=O)n2c3ccccc3c3ccccc23)CC1
COc1ccccc1N1CCN(CCCCC(=O)n2c3ccccc3c3ccccc23)CC1
Oc1ccccc1N1CCN(CCCCCC(=O)n2c3ccccc3c3ccccc23)CC1
Oc1ccccc1N1CCN(CCCCC(=O)n2c3ccccc3c3ccccc23)CC1
CC1(C)NC(Nc2cccc(Br)c2)=NC(N)=N1 |c:13,16|
CCOC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 |c:14,t:11|
CCOC(=O)c1cccc(NC2=NC(=NC3(CCCCC3)N2)N(C)C)c1 |c:13,t:11|
NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1 |c:20,t:1|
CCNC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 |c:14,t:11|
c1cc2c(cc1O)c(c[nH]2)C[C@@H](C(=O)O)N
NCC1CC1c1cc(Cl)c(F)cc1OCC=C
NCC1CC1c1cc(Cl)c(F)cc1OCCF
COc1cc(F)c(Cl)cc1C1CC1CN
NCC1CC1c1c(F)c(F)ccc1OCC=C
NCC1CC1c1c(F)c(F)ccc1OCCF
COc1ccc(F)c(F)c1C1CC1CN
NCC1CC1c1cc(F)c(F)cc1OCC=C
NCC1CC1c1cc(F)c(F)cc1OCCF
COc1cc(F)c(F)cc1C1CC1CN
COc1ccc(Cl)c(F)c1C1CC1CN
NCC1CC1c1c(F)c(Cl)ccc1OCCF
NCC1CC1c1c(F)c(Cl)ccc1OCC=C
COc1cc(Cl)c(Cl)cc1C1CC1CN
NCC1CC1c1cc(Cl)c(Cl)cc1OCCF
NCC1CC1c1cc(Cl)c(Cl)cc1OCC=C
COc1ccc(Cl)c(Cl)c1C1CC1CN
NCC1CC1c1c(Cl)c(Cl)ccc1OCCF
NCC1CC1c1c(Cl)c(Cl)ccc1OCC=C
COc1ccc(F)c(Cl)c1C1CC1CN
NCC1CC1c1c(Cl)c(F)ccc1OCCF
NCC1CC1c1c(Cl)c(F)ccc1OCC=C
Fc1ccc(NC(=S)Nc2cccc(c2)C(F)(F)F)cc1Cl
COc1ccc(NC(=S)Nc2cccc(c2)C(F)(F)F)cc1
FC(F)(F)c1cccc(NC(=S)Nc2ccccc2Cl)c1
FC(F)(F)c1cccc(NC(=S)NCCc2ccccc2)c1
FC(F)(F)c1cccc(NC(S)=NCc2ccccc2)c1
[O-][N+](=O)c1cc(NC(=S)Nc2ccccc2)ccc1Cl
[O-][N+](=O)c1cc(NC(=S)Nc2ccccc2Cl)ccc1Cl
[O-][N+](=O)c1cc(NC(=S)NC(=O)c2ccccc2)ccc1Cl
[O-][N+](=O)c1cc(NC(=S)NCc2ccccc2)ccc1Cl
CC(NC(=S)Nc1ccc(Cl)c(c1)[N+]([O-])=O)c1ccccc1
CNC(=O)c1cc(OCCCCN2CCC(CC2)c2noc3cc(F)ccc23)ccc1F
CNC(=O)c1cccc(OCCCCN2CCC(CC2)c2noc3cc(F)ccc23)c1
COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3OCOc3c2)cc1OC
COc1ccc(CCN(CCCc2ccc(F)cc2)CCc2ccc3OCOc3c2)cc1OC
COc1ccc(CCN(CCCc2ccc(Cl)cc2)CCc2ccc3OCOc3c2)cc1OC
COc1ccc(CCN(CCCc2ccc(Br)cc2)CCc2ccc3OCOc3c2)cc1OC
COc1ccc(CCN(CCCc2ccc(I)cc2)CCc2ccc3OCOc3c2)cc1OC
COc1ccc(CCN(CCCc2cccc(F)c2)CCc2ccc3OCOc3c2)cc1OC
COc1ccc(CCN(CCCc2cccc(Cl)c2)CCc2ccc3OCOc3c2)cc1OC
COc1ccc(CCN(CCCc2cccc(Br)c2)CCc2ccc3OCOc3c2)cc1OC
COc1ccc(CCN(CCCc2cccc(I)c2)CCc2ccc3OCOc3c2)cc1OC
COc1ccc(CCN(CCCc2ccccc2F)CCc2ccc3OCOc3c2)cc1OC
COc1ccc(CCN(CCCc2ccccc2Cl)CCc2ccc3OCOc3c2)cc1OC
COc1ccc(CCN(CCCc2ccccc2Br)CCc2ccc3OCOc3c2)cc1OC
COc1ccc(CCN(CCCc2ccccc2I)CCc2ccc3OCOc3c2)cc1OC
Fc1ccc(CCCCN2CCc3ccccc3C2)cc1
Fc1ccc(SCCCN2CCc3ccccc3C2)cc1
Fc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
O=C(CCCN1CCc2ccccc2C1)c1ccccc1
O=C(CCCN1CCc2ccccc2C1)c1ccc(cc1)C#N
NC(=O)c1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
COc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Clc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
O=C1N(CCCCN2CCC3CCCCC3C2)C(=O)c2ccccc12
O=C1N(CCCCN2Cc3ccccc3C2)C(=O)c2ccccc12
Clc1ccc2sc(CCCCN3CCC4(CC3)N(CNC4=O)c3ccccc3)nc2c1
OC1(CC2CCC(C1)N2CCCCc1nc2ccccc2s1)c1ccc(Cl)cc1
Clc1ccc(cc1)C(=O)CCCN1CCCc2ccccc2C1
Clc1ccc2sc(CCCCN3CCc4ccccc4C3)nc2c1
Clc1ccc(cc1)C(=O)CCCN1CCCc2ccccc12
Clc1ccc2sc(CCCCN3CCc4c(Cl)cccc4C3)nc2c1
Clc1ccc2sc(CCCCN3CCC4CCCCC4C3)nc2c1
C(CC1=Cc2ccccc2CC1)N1CCc2ccccc2C1 |t:2|
Clc1cccc2CCN(CCCCc3nc4ccccc4s3)Cc12
Clc1ccc2C(=O)C(CCN3CCc4ccccc4C3)Cc2c1
Clc1ccc(cc1)C(=O)CCCN1CCc2ccccc2CC1
C(CN1CCc2ccccc2C1)Cc1nc2ccccc2s1
COc1cc2CCN(CCCCc3nc4cc(Cl)ccc4s3)Cc2cc1OC
O=C1C(CCN2CCc3ccccc3C2)Cc2ccccc12
O=C(CCCN1CCc2ccccc2C1)c1ccc2NC(=O)Cc2c1
C(CN1CCc2ccccc2C1)Cc1nc2ccccc2[nH]1
Clc1ccc(cc1)-[#6](=[#6][#6]-[#6]-[#7]-1-[#6]-[#6]-c2ccccc2-[#6]-1)c1ccc(Cl)cc1
CC1(C)CC(=O)N(CCCCN2Cc3ccccc3C2)C(=O)C1
Clc1cccc(CNc2nc(Cl)nc3[nH]cnc23)c1
O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12)C(=O)OC |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12)C(=O)NCCCNC(C)=O |r|
CNc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@@]2(CO)[C@@H](O)[C@H]1O
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12)C(O)=O |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12)C(=O)OCCC |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(nc(Cl)nc12)N(C)C)C(=O)OCC |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(nc(Cl)nc12)N(C)C)C(O)=O |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12)C(=O)NCCNC(C)=O |r|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12 |r|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(CC)CC)nc(Cl)nc12 |r|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@H](CC)C3CC3)nc(Cl)nc12 |r|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@H](C(C)C)C3CC3)nc(Cl)nc12 |r|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@@H](C(C)C)C3CC3)nc(Cl)nc12 |r|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(nc(Cl)nc12)N(C)C |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(nc(nc12)C#Cc1ccc(Cl)s1)N(C)C)C(=O)NC |r|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@@H](C3CC3)C3CCC3)nc(Cl)nc12 |r|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@H](C3CC3)C3CCC3)nc(Cl)nc12 |r|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@@H](CC)C3CC3)nc(Cl)nc12 |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(nc(Cl)nc12)N(C)C)C(=O)NC |r|
[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|
[H][C@]12CCc3cc(OC)ccc3N1CCCNC2 |r|
C1Cc2ccccc2N2CCCNCCC12
C1CN2C(CCc3c(Oc4ccccc4)cccc23)CN1
Fc1ccc2N3CCNCC3CCc2c1Cc1ccccc1
C(c1ccc2OCOc2c1)c1cccc2N3CCNCC3CCc12
CCCc1ccc2N3CCNCC3CCc2c1
[H][C@@]12CCc3ccccc3N1CCCNCC2 |r|
Clc1cccc2CCC3CCNCCCN3c12
[H][C@]12CCc3cc(OC)c(Cl)cc3N1CCCNC2 |r|
[H][C@]12CCc3ccc(OC)cc3N1CCCNC2 |r|
[H][C@]12CCc3ccc(OC)c(Cl)c3N1CCCNC2 |r|
[H][C@]12CCc3cc(Cc4ccccc4)c(OC)cc3N1CCCNC2 |r|
Fc1ccc2CCC3CNCCN3c2c1Cl
CCCc1cccc2N3CCNCC3CCc12
C1CN2C(CCc3c2cccc3-c2ccccc2)CN1
COCc1cccc2N3CCNCC3CCc12
CCSc1cccc2N3CCNCC3CCc12
C(c1cccs1)c1cccc2N3CCNCC3CCc12
CC1(C)Cc2ccccc2N2CCNCC12
[H][C@]12CCc3c(OC)cccc3N1CCCNC2 |r|
CC1(C)Cc2cccc(Cl)c2N2CCNCC12
Cc1cccc2CCC3CNCCN3c12
C(C1CCC1)c1cccc2N3CCNCC3CCc12
C(c1ccccc1)c1cccc2N3CCNCC3CCc12
[H][C@]12CCc3cc(Cl)c(OC)cc3N1CCCNC2 |r|
Clc1ccc2N3CCCNCCC3CCc2c1
Cc1cccc2N3CCNCC3CCc12
C1CC(C1)Oc1cccc2N3CCNCC3CCc12
Fc1ccc2N3CCNCC3CCc2c1
[H][C@]12CCc3cccc(OC)c3N1CCCNC2 |r|
[H][C@]12CCc3cc(OC)c(Cl)c(Cl)c3N1CCCNC2 |r|
COc1ccc2N3CCNCC3CCc2c1
[H][C@]12CCc3ccccc3N1CCNC2 |r|
CCCc1ccc2CCC3CNCCN3c2c1
C(C1CCC1)c1cccc2N3CCCNCC3CCc12
[H][C@]12CCc3c(Cc4ccccc4)c(F)ccc3N1CCCNC2 |r|
C1CC(C1)c1cccc2N3CCNCC3CCc12
CC1(C)CC2CNCCN2c2ccccc12
[H][C@]12CCc3cc(F)ccc3N1CCCNC2 |r|
Fc1ccc2CCC3CNCCN3c2c1
[H][C@]12CCc3ccccc3N1CCCNCC2 |r|
CC(=O)c1ccc(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)c(C)c1O
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(=O)n(n2)-c2cccc(Cl)c2Cl)CC1
Fc1ccc(F)c(c1)-n1nc(OCCCN2CCC(CC2)c2noc3cc(F)ccc23)ccc1=O
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(=O)n(n2)-c2cc(Cl)ccc2Cl)CC1
Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc12 |wU:9.8,(10.51,-11.56,;10.03,-10.1,;10.93,-8.84,;10,-7.6,;10.47,-6.14,;9.44,-4.99,;11.98,-5.81,;13.01,-6.95,;12.45,-4.34,;13.94,-4.02,;14.41,-2.55,;15.91,-2.22,;16.95,-3.36,;16.47,-4.83,;14.97,-5.16,;16.06,-4.06,;14.82,-3.32,;8.55,-8.09,;7.21,-7.32,;5.88,-8.09,;5.88,-9.63,;7.21,-10.4,;8.56,-9.63,)|
Cn1cc(C(=O)C(=O)N[C@@H]2CN3CCC2CC3)c2ccccc12 |wD:9.8,(9.31,-11.63,;8.84,-10.16,;9.73,-8.91,;8.82,-7.65,;9.29,-6.2,;8.25,-5.05,;10.79,-5.85,;11.84,-7,;11.27,-4.4,;12.77,-4.05,;13.23,-2.6,;14.74,-2.27,;15.78,-3.41,;15.3,-4.87,;13.8,-5.2,;14.89,-4.1,;13.64,-3.35,;7.35,-8.14,;6.02,-7.37,;4.68,-8.16,;4.68,-9.7,;6.02,-10.47,;7.37,-9.69,)|
COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC
CN1CCC(CC1)c1c[nH]c2ccc(cc12)-n1cnnc1
CN(C)CCc1c[nH]c2ccc(cc12)-n1cnnc1
COc1cc(OC)c(cc1N)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1ccc(cc1)S(=O)(=O)Nc1cc(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)c(OC)cc1OC
COc1cc(OC)c(cc1NS(=O)(=O)c1ccccc1Cl)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1cc(OC)c(cc1NS(=O)(=O)c1ccc(cc1)C(C)=O)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1cc(OC)c(cc1NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1cc(OC)c(cc1NS(=O)(=O)c1ccc(F)cc1)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1cc(OC)c(cc1NS(=O)(=O)c1ccc(cc1)C(C)C)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1cc(OC)c(cc1Cl)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1cc(OC)c(cc1NS(=O)(=O)c1ccc(Cl)cc1)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1ccc(Oc2ccccc2)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1cc(OC)c(cc1NS(=O)(=O)c1ccc(cc1)S(N)(=O)=O)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1cc(OC)c(cc1NS(=O)(=O)c1ccc(cc1)C#N)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1cc(OC)c(cc1NS(=O)(=O)c1ccccc1)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1cc(OC)c(cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O)-c1ccccc1
COc1cc(Cl)c(Cl)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1cc(Cl)ccc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1ccc(Cl)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1cc(OC)c(cc1NS(=O)(=O)c1ccc(C)cc1)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1cc(OC)c(cc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1cc(OC)c(cc1NS(=O)(=O)c1cccc(c1)C(F)(F)F)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1cc(OC)c(cc1NS(=O)(=O)c1cccc(Cl)c1)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1ccc(NS(=O)(=O)c2ccccc2)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1ccc(OC)c(c1)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1ccc(cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O)-c1ccccc1
COc1ccccc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(ccc23)C(F)(F)F)cn1
CCCc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C)c(Cl)cc23)cn1
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Br)c(cc23)C(F)(F)F)cn1
Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1F
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2cccc3C(F)(F)F)cn1
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2cccc3Br)cn1
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c4CCOc4c(cc23)C(F)(F)F)cn1
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccc(cc23)C(F)(F)F)cn1
Cc1ccncc1Oc1ccc(NC(=O)N2CCc3cc(C)c(Cl)cc23)cn1
CCc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F
CC(C)c1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C)c(Cl)cc23)cn1
Cc1cc2CCN(C(=O)Nc3ccc(Oc4cncnc4C)nc3)c2cc1C(F)(F)F
Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4Cl)nc3)c2cc1Cl
Cc1cc2N(CCc2cc1Cl)C(=O)Nc1ccc(Oc2cccnc2C)nc1
Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1Br
CSc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F
Cc1cc2CCN(C(=O)Nc3cnc(Oc4cccnc4C)cn3)c2cc1C(F)(F)F
Cc1cc2CCN(C(=O)Nc3cnc(Oc4cccnc4C)nc3)c2cc1Cl
Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nn3)c2cc1Cl
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2cccc3Cl)cn1
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2cc(Cl)c(C)c3Cl)cn1
COc1cc2CCN(C(=O)Nc3cnc(Oc4cccnc4C)cc3C)c2cc1C(F)(F)F
CCc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C)c(Cl)cc23)cn1
Cc1ccc2N(CCc2c1Br)C(=O)Nc1ccc(Oc2cccnc2C)nc1
Cc1cc2CCN(C(=O)Nc3ccc(Oc4cnccc4Cl)nc3)c2cc1Cl
Cc1cc2CCN(C(=O)Nc3cnc(Oc4cccnc4C)c(C)c3)c2cc1Cl
Cc1cc2CCN(C(=O)Nc3cnc(Oc4cccnc4C)c(Cl)c3)c2cc1C(F)(F)F
Cc1cc2CCN(C(=O)Nc3cnc(Oc4cccnc4C)c(Cl)c3)c2cc1Cl
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2ccc(Cl)c3Cl)cn1
Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nn3)c2cc1C(F)(F)F
Cc1cc2CCN(C(=O)Nc3ccc(COc4ccccn4)nc3)c2cc1C(F)(F)F
Cc1cc2CCN(C(=O)Nc3ccc(OCc4ccncc4)nc3)c2cc1Cl
Clc1cccc2N(CCc12)C(=O)Nc1ccc(OCc2ccccn2)nc1
Cc1cc2CCN(C(=O)Nc3ccc(CCc4ccccn4)nc3)c2cc1C(F)(F)F
FC(F)(F)c1ccc2CCN(C(=O)Nc3ccc(OCc4ccccn4)nc3)c2c1
Cc1cc2CCN(C(=O)Nc3ccc(OCc4ccccn4)nc3)c2cc1Cl
Cc1cc2CCN(C(=O)Nc3ccc(OCc4cnccn4)nc3)c2cc1C(F)(F)F
Cc1cc(NC(=O)N2CCc3cc(C)c(cc23)C(F)(F)F)cnc1OCc1ccccn1
Cc1cc2CCN(C(=O)Nc3ccc(OCc4nccn4C)nc3)c2cc1Cl
Cc1cc2CCN(C(=O)Nc3ccc(OCc4ccccn4)cc3)c2cc1C(F)(F)F
Cc1cc2CCN(C(=O)Nc3ccc(OCCc4ccccn4)nc3)c2cc1C(F)(F)F
Cc1cc2CCN(C(=O)Nc3ccc(OCc4nccs4)nc3)c2cc1Cl
Cc1cc2CCN(C(=O)Nc3ccc(OCc4ccccn4)nn3)c2cc1C(F)(F)F
FC(F)(F)c1ccc2N(CCc2c1)C(=O)Nc1ccc(OCc2ccccn2)nc1
Cc1cccc(COc2ccc(NC(=O)N3CCc4cc(C)c(cc34)C(F)(F)F)cn2)n1
Clc1ccc2N(CCc2c1)C(=O)Nc1ccc(OCc2ccccn2)nc1
Cc1cc2CCN(C(=O)Nc3ccc(OCc4cccnc4)nc3)c2cc1Cl
Brc1ccc2N(CCc2c1)C(=O)Nc1ccc(OCc2ccccn2)nc1
Cc1cccnc1COc1ccc(NC(=O)N2CCc3cc(C)c(cc23)C(F)(F)F)cn1
Cc1cc2CCN(C(=O)Nc3ccc(OCc4cncn4C)nc3)c2cc1C(F)(F)F
CCN(CC)c1ccc(NC(=O)Nc2ccnc3ccccc23)cc1
CN(C)c1ccc(NC(=O)Nc2ccnc3ccccc23)cc1
CN1CCc2cc(NC(=O)Nc3ccnc4ccccc34)ccc12
Cc1nc2ccc(NC(=O)Nc3ccnc4ccccc34)cc2o1
Cn1ccc2cc(NC(=O)Nc3ccnc4ccccc34)ccc12
CSc1ccc(NC(=O)Nc2ccnc3ccccc23)cc1
Cc1cc2cc(NC(=O)Nc3ccnc4ccccc34)ccc2n1C
COc1ccc(NC(=O)Nc2ccnc3ccccc23)cc1Cl
Clc1cccc2cc(ccc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
CCc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
CN1CCN(CC1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12
Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
Cc1sc2ccc(Cl)cc2c1S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nc(C)cc(N3CCNCC3)c2c1
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
C[C@H]1CN(CCN1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12
CS(=O)(=O)Oc1ccc2CN(CC[C@H]3CC[C@@H](CC3)NC(=O)\C=C\c3ccc(F)cc3)Cc2c1 |wU:16.19,wD:13.12,(-.65,-16.53,;-.63,-15,;-2.01,-14.31,;-.33,-13.47,;.91,-14.92,;2.24,-14.15,;2.24,-12.6,;3.57,-11.83,;4.9,-12.58,;6.37,-12.09,;7.29,-13.35,;8.62,-12.58,;9.96,-13.35,;11.29,-12.56,;12.62,-13.33,;13.94,-12.56,;13.94,-11.02,;12.62,-10.25,;11.29,-11.02,;15.28,-10.27,;16.61,-11.04,;16.61,-12.58,;17.94,-10.27,;19.27,-11.04,;20.6,-10.27,;21.93,-11.04,;23.27,-10.27,;23.27,-8.73,;24.36,-7.64,;21.93,-7.96,;20.6,-8.73,;6.39,-14.61,;4.91,-14.14,;3.58,-14.92,)|
COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@H]2C1
[H][C@]12CCCN1CCN(C2)c1cc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)ccc1OC
COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(C)CC1
COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCCCC2C1
Clc1ccc(OC2CCN(CC[C@H]3CCCN3S(=O)(=O)c3ccc4cc[nH]c4c3)CC2)cc1
Clc1ccc(cc1)C1=CCN(CCCCC23CCCc4c2c(NC3=O)ccc4Cl)CC1 |t:8|
COc1ccc2C(=O)CC(CN3CCC(CC3)C(=O)c3ccc(F)cc3)Cc2c1
COc1cc2CC(CN3CCC(CC3)C(=O)c3ccc(F)cc3)CC(=O)c2cc1OC
Fc1ccc2c(noc2c1)C1CCN(CC2CC(=O)c3ccccc3C2)CC1
COc1cc2CC(CN3CCN(CC3)c3ccccc3OC)CC(=O)c2cc1OC
COc1ccc2C(=O)CC(CN3CCN(CC3)c3ccccn3)Cc2c1
COc1cc2CC(CN3CCC(CC3)c3noc4cc(F)ccc34)CC(=O)c2cc1OC
COc1cc2CC(CN3CCN(CC3)c3ccccn3)CC(=O)c2cc1OC
COc1ccc2C(=O)CC(CN3CCC(CC3)c3noc4cc(F)ccc34)Cc2c1
COc1ccccc1N1CCN(CC2CC(=O)c3ccccc3C2)CC1
COc1ccc2C(=O)CC(CN3CCN(CC3)c3ccccc3OC)Cc2c1
Fc1ccc(cc1)C(=O)C1CCN(CC2CC(=O)c3ccccc3C2)CC1
O=C1CC(CN2CCN(CC2)c2ccccn2)Cc2ccccc12
[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|
CNc1nc(nc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)OC)C#Cc1ccc(Cl)s1 |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|
Cc1nc(sc1C(=O)N1CCOCC1)-c1cccc2ccccc12
CCn1nc(cc1-c1ncccn1)-c1cccc2ccccc12
CN1CCN(CC1)C(=O)c1sc(nc1C)-c1cccc2ccccc12
CCn1nc(cc1-c1ccc(N)nn1)-c1cccc2ccncc12
Cn1nc(cc1-c1cccnn1)-c1cccc2ccccc12
CCn1nc(cc1-c1ncnn1C)-c1cccc2ccccc12
Clc1ccc(-c2nc(cs2)C(=O)N2CCOCC2)c(Cl)c1
CCn1nc(cc1-c1cccnn1)-c1cccc2ccncc12
CCn1nc(cc1-c1cccnn1)-c1cncc2ccccc12
CCn1nc(cc1-c1cccnn1)-c1ccnc2ccccc12
Clc1cccc(-c2ncc(s2)C(=O)N2CCOCC2)c1Cl
CCn1nc(cc1-c1cccnn1)-c1nccc2ccccc12
Cc1oc(nc1C(=O)N1CCC(CO)CC1)-c1cccc2ccccc12
Cc1sc(nc1C(=O)N1CCOCC1)-c1cccc(Cl)c1Cl
Clc1cccc(-c2nc(cs2)C(=O)N2CCCCC2)c1Cl
CCn1nc(cc1-c1nnnn1C)-c1cccc2ccccc12
Cc1cc(oc1C(=O)N1CCC(CO)CC1)-c1cccc2ccccc12
Cc1nc(sc1C(=O)N1CCc2[nH]cnc2C1)-c1cccc2ccccc12
CN(CCc1cccnc1)C(=O)c1sc(nc1C)-c1cccc2ccccc12
CCn1nc(cc1-c1ccc(N)nn1)-c1cccc2cccnc12
CCn1nc(cc1-c1cccnn1)-c1cccc2cnccc12
O=C(N1CCOCC1)c1nc(cs1)-c1cccc2ccccc12
Clc1cccc(-c2nc(cs2)C(=O)N2CC3CC2CO3)c1Cl
CN(Cc1cccnc1)C(=O)c1sc(nc1C)-c1cccc2ccccc12
CN(CCO)C(=O)c1sc(nc1C)-c1cccc2ccccc12
CCn1nc(cc1-c1cccnn1)-c1cccc2cccnc12
CC(C)N(CCO)C(=O)c1sc(nc1C)-c1cccc2ccccc12
Cc1nn(cc1C(=O)N1CCC(CO)CC1)-c1cccc2ccccc12
Cc1[nH]c(cc1C(=O)N1CCC(CO)CC1)-c1cccc2ccccc12
Cn1cc(cc1C(=O)N1CCC(CO)CC1)-c1cccc2ccccc12
Cc1nc(sc1C(=O)N1CCCCC1)-c1cccc2ccccc12
CCn1nc(cc1-c1ccccn1)-c1cccc2ccccc12
COCCNC(=O)c1sc(nc1C)-c1cccc2ccccc12
Cc1nc(oc1C(=O)N1CCC(CO)CC1)-c1cccc2ccccc12
Cc1sc(nc1C(=O)N1CCOCC1)-c1cccc2ccccc12
Cc1cccc(-c2nc(cs2)C(=O)N2CCOCC2)c1C
CCn1nc(cc1-c1cccnn1)-c1cccc2ncccc12
Clc1cccc(-c2csc(n2)C(=O)N2CCOCC2)c1Cl
Cn1nc(cc1C(=O)N1CCC(CO)CC1)-c1cccc2ccccc12
O=C(N1CCOCC1)c1csc(n1)-c1cccnc1
Cc1nc(-c2cccc3ccccc23)n(C)c1C(=O)N1CCC(CO)CC1
Cn1ccnc1-c1cc(nn1C)-c1cccc2ccccc12
O=C(N1CCOCC1)c1csc(n1)-c1cccc2ccccc12
Cc1cc(sc1C(=O)N1CCC(CO)CC1)-c1cccc2ccccc12
Fc1c(Cl)cccc1-c1nc(cs1)C(=O)N1CCOCC1
Cc1sc(cc1C(=O)N1CCC(CO)CC1)-c1cccc2ccccc12
CN(Cc1ccn(C)n1)C(=O)c1sc(nc1C)-c1cccc2ccccc12
Cc1nc(sc1C(N)=O)-c1cccc2ccccc12
Cc1nc(sc1C(=O)N1CCC(CO)CC1)-c1cccc2ccccc12
Fc1cccc(-c2nc(cs2)C(=O)N2CCOCC2)c1Cl
Clc1cccc(-c2nc(cs2)C(=O)N2CCOCC2)c1Cl
Cc1nc(sc1C(=O)N1CCNCC1)-c1cccc2ccccc12
Cn1cc(nc1C(=O)N1CCC(CO)CC1)-c1cccc2ccccc12
CCn1nc(cc1-c1cncn1C)-c1cccc2ccccc12
Cc1nc(sc1C(=O)N1CCOCC1)-c1cccc(Cl)c1Cl
Cc1cn(cc1C(=O)N1CCC(CO)CC1)-c1cccc2ccccc12
Clc1ccccc1-c1nc(cs1)C(=O)N1CCOCC1
CCn1nc(cc1-c1nccn1C)-c1cccc2ccccc12
O=C(N1CCOCC1)c1cnc(s1)-c1cccc2ccccc12
Clc1cccc(-c2nc(cs2)C(=O)N2CCCOCC2)c1Cl
Cc1nn(nc1C(=O)N1CCC(CO)CC1)-c1cccc2ccccc12
COCCN(C)C(=O)c1sc(nc1C)-c1cccc2ccccc12
CN(C)C(=O)c1sc(nc1C)-c1cccc2ccccc12
OC1CCN(CC1)C(=O)c1csc(n1)-c1cccc(Cl)c1Cl
Cc1nc(sc1C(=O)N1CCC(O)CC1)-c1cccc2ccccc12
CCn1nc(cc1-c1cccnn1)-c1cccc2ccccc12
Cc1nc(sc1C(=O)N1CCCC(O)CC1)-c1cccc2ccccc12
COc1ccc(F)cc1C1CC1CNCc1ccccc1C#N
CNC[C@H]1C[C@@H]1c1cc(F)ccc1OCC=C
COc1ccccc1C(C)NCC1CC1c1cc(F)ccc1OC
COc1cccc(CNC[C@@H]2C[C@H]2c2cc(F)ccc2OC)c1
COc1ccccc1CNC[C@H]1C[C@@H]1c1cc(F)ccc1OCC=C
COc1ccc(CNC[C@H]2C[C@@H]2c2cc(F)ccc2OC)cc1
CNC[C@H]1C[C@@H]1c1cc(F)ccc1OC
COc1cccc(CNC[C@H]2C[C@@H]2c2cc(F)ccc2OC)c1
COc1ccsc1CNCC1CC1c1cc(F)ccc1OC
COc1ccccc1CN(C)CC1CC1c1cc(F)ccc1OC
COc1ccc(F)cc1[C@@H]1C[C@H]1CNCc1ccccc1Cl
COc1ccccc1CNC[C@@H]1C[C@H]1c1cc(F)ccc1OC
COc1ccc(F)cc1C1CC1CNCc1cccnc1OC
COc1ccccc1CNC[C@H]1C[C@@H]1c1cc(F)ccc1OCCF
COc1ccccc1CNC[C@H]1C[C@@H]1c1cc(F)ccc1OC
COc1ccc(F)cc1[C@@H]1C[C@H]1CNCc1cccs1
COc1cscc1CNCC1CC1c1cc(F)ccc1OC
COc1ccc(F)cc1C1CC1CNCc1cccc2ccsc12
COc1ccc(F)cc1C1CC1CNCc1cccc2cccnc12
COc1ccc(F)cc1[C@H]1C[C@@H]1CNCc1ccccc1Cl
COc1ccc(F)cc1C1CC1CNC1(CC1)c1ccccc1OC
COc1ccccc1CCNCC1CC1c1cc(F)ccc1OC
COc1ccc(F)cc1C1CC1CNCc1ccccc1OCCF
COc1ccc(F)cc1[C@H]1C[C@@H]1CNCc1ccccc1F
COc1ccc(F)cc1C1CC1CNCc1ccccc1O
COc1ccc(F)cc1C1CC1CNC1CC1
COc1ccc(F)cc1C1CC1CNCc1ccccc1C(N)=O
COc1ccc(F)cc1[C@@H]1C[C@H]1CNCc1ccccc1F
COc1sccc1CNCC1CC1c1cc(F)ccc1OC
COc1ccc(F)cc1[C@H]1C[C@@H]1CNCc1cccs1
COc1ccc(F)cc1C1CC1CNCC1CCCCC1