790 SMILES Strings for Sodium- and chloride-dependent GABA transporter 1

Compound Name
SMILES String
[O-][N+](=O)c1ccc(CN2CCC(CC2)NC(=O)c2ccc(Cl)cc2Cl)cc1
COc1cccc(CN2CCC(CC2)NC(=O)c2cccs2)c1
CCN1CCC(CC1)NC(=O)c1ccc(Cl)cc1Cl
Clc1cc(Cl)c(C(=O)NC2CCN(Cc3ccccc3)CC2)c(Cl)c1
Fc1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)CC1
FC(F)(F)c1cccc(c1)C(=O)NC1CCN(Cc2ccccc2)CC1
COc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC
C(CC(=O)O)CN
CCCN1CCC(CC1)NC(=O)c1ccc(Cl)cc1Cl
Clc1ccc(C(=O)NC2CCN(CC#C)CC2)c(Cl)c1
Clc1ccc(C(=O)NC2CCN(CCCC#N)CC2)c(Cl)c1
OC(=O)CN1CCC(CC1)NC(=O)c1ccc(Cl)cc1Cl
Clc1ccc(C(=O)NC2CCN(Cc3ccc(I)cc3)CC2)c(Cl)c1
FC(F)(F)c1cccc(CN2CCC(CC2)NC(=O)c2ccc(Cl)cc2Cl)c1
O=C(NC1CCN(Cc2ccccc2)CC1)c1cccnc1
Clc1ncccc1C(=O)NC1CCN(Cc2ccccc2)CC1
Clc1ccncc1C(=O)NC1CCN(Cc2ccccc2)CC1
Clc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c(Cl)n1
O=C(NC1CCN(Cc2ccccc2)CC1)c1ccncc1
Clc1cc(ccn1)C(=O)NC1CCN(Cc2ccccc2)CC1
COc1ccccc1C1(O)CCN(CCCn2c3ccccc3c3ccccc23)CC1
Clc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c(Cl)c1
O=C(NC1CCN(Cc2ccccc2)CC1)c1cccs1
Clc1ccc(C(=O)NC2CCN(Cc3cccs3)CC2)c(Cl)n1
Clc1ccc(C(=O)NC2CCN(Cc3c[nH]c4ccccc34)CC2)c(Cl)n1
Clc1ccc(C(=O)NC2CCNCC2)c(Cl)c1
CN1CCC(CC1)NC(=O)c1ccc(Cl)cc1Cl
Clc1cccc(CN2CCC(CC2)NC(=O)c2ccc(Cl)cc2Cl)c1
COc1cccc(CN2CCC(CC2)NC(=O)c2ccc(Cl)cc2Cl)c1
COc1cc(CN2CCC(CC2)NC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1
Clc1ccc(C(=O)NC2CCN(Cc3ccc4OCOc4c3)CC2)c(Cl)n1
Clc1ccc(C(=O)NC2CCN(Cc3ccc(cc3)-c3ccccc3)CC2)c(Cl)n1
COc1cccc(CN2CCC(CC2)NC(=O)c2ccc(Cl)nc2Cl)c1
OCCOc1cccc(CN2CCC(CC2)NC(=O)c2ccc(Cl)nc2Cl)c1
NC(=O)c1cccc(CN2CCC(CC2)NC(=O)c2ccc(Cl)nc2Cl)c1
Oc1cccc(CN2CCC(CC2)NC(=O)c2ccc(Cl)nc2Cl)c1
Clc1ccc(C(=O)NC2CCN(Cc3ccncc3)CC2)c(Cl)c1
Clc1ccc(C(=O)NC2CCN(Cc3ccccn3)CC2)c(Cl)c1
Clc1ccc(C(=O)NC2CCN(Cc3cccnc3)CC2)c(Cl)c1
Clc1ccc(C(=O)NC2CCN(Cc3ccc4ccccc4c3)CC2)c(Cl)c1
Clc1ccc(C(=O)NC2CCN(Cc3ccc4ccccc4n3)CC2)c(Cl)c1
Clc1ccc(C(=O)NC2CCN(CC(=O)c3ccccc3)CC2)c(Cl)c1
CC(C)C(=O)NC1CCN(Cc2ccccc2)CC1
O=C(NC1CCN(Cc2ccccc2)CC1)c1ccccc1
Clc1ccccc1C(=O)NC1CCN(Cc2ccccc2)CC1
Fc1ccc(Oc2ccccc2CN2CCC(CC2)NC(=O)c2ccc(Cl)nc2Cl)cc1
COc1cccc(CN2CCC(CC2)NC(=O)c2cccnc2)c1
COc1cccc(CN2CCC(CC2)NC(=O)c2cccnc2Cl)c1
COc1cccc(CN2CCC(CC2)NC(=O)c2ccc(Cl)nc2)c1
COc1cccc(CN2CCC(CC2)NC(=O)c2ccncc2)c1
Clc1ccc(C(=O)OC2CCN(Cc3ccccc3)CC2)c(Cl)c1
Clc1ccc(CNC2CCN(Cc3ccccc3)CC2)c(Cl)c1
COC(=O)c1ccc(CN2CCC(CC2)NC(=O)c2ccc(Cl)cc2Cl)cc1
FC(F)(F)Oc1ccc(CN2CCC(CC2)NC(=O)c2ccc(Cl)cc2Cl)cc1
FC(F)(F)Oc1cccc(CN2CCC(CC2)NC(=O)c2ccc(Cl)cc2Cl)c1
Fc1cccc(CN2CCC(CC2)NC(=O)c2ccc(Cl)cc2Cl)c1
Clc1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)CC1
CCOc1ccccc1C(=O)NC1CCN(Cc2ccccc2)CC1
O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2OCOc2c1
O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2ccccc2c1
[O-][N+](=O)c1ccccc1CN1CCC(CC1)NC(=O)c1ccc(Cl)cc1Cl
Clc1ccc(C(=O)NC2CCN(Cc3ccccc3C#N)CC2)c(Cl)c1
Clc1ccc(C(=O)NC2CCN(Cc3ccc(cc3)C#N)CC2)c(Cl)c1
CC(C)(C)OC(=O)CN1CCC(CC1)NC(=O)c1ccc(Cl)cc1Cl
CCOP(=O)(CCCN1CCC(CC1)NC(=O)c1ccc(Cl)cc1Cl)OCC
Clc1ccc(C(=O)NC2CCN(C\C=C\c3ccccc3)CC2)c(Cl)c1
O=C(OC1CCN(Cc2ccccc2)CC1)c1ccccc1
Cc1cccc(CN2CCC(CC2)NC(=O)c2ccc(Cl)cc2Cl)c1
Cc1cc(C)cc(CN2CCC(CC2)NC(=O)c2ccc(Cl)cc2Cl)c1
Clc1ccc(C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)c(Cl)c1
CCOc1cccc(CN2CCC(CC2)NC(=O)c2ccc(Cl)nc2Cl)c1
[O-][N+](=O)c1cccc(CN2CCC(CC2)NC(=O)c2ccc(Cl)nc2Cl)c1
COC(=O)c1cccc(CN2CCC(CC2)NC(=O)c2ccc(Cl)nc2Cl)c1
OC(=O)c1cccc(CN2CCC(CC2)NC(=O)c2ccc(Cl)nc2Cl)c1
COc1ccc(cc1)C(C#CCN1CCCC(C1)C(O)=O)c1ccc(OC)cc1
OC(=O)C1CCCN(CC#CCC(c2ccccc2)(c2ccccc2)c2ccccc2)C1
COc1ccc(cc1)C(\C=C\CN1CCC[C@@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1 |r|
COc1ccc(cc1)C(C#CCN1CCCC(C1)C(O)=O)(c1nccs1)c1ccc(OC)cc1
COc1ccc(cc1)C(Cc1ccccc1)(C#CCN1CCCC(C1)C(O)=O)c1ccc(OC)cc1
COc1ccc(cc1)C(OCCN1CCC[C@@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1C |r|
COc1ccc(cc1)C(C#CCN1CCCC(C1)C(O)=O)(c1ccc(OC)cc1)c1ccc2sccc2c1
COc1ccc(cc1)C(C#CCCN1CCCC(C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1
COc1ccc(cc1)C(C#CCN1CCCC(C1)C(O)=O)(c1ccsc1)c1ccc(OC)cc1
COc1ccc(CC(C#CCN2CCCC(C2)C(O)=O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
OC(=O)C1CCCN(CCC#CC(c2ccccc2)(c2ccccc2)c2ccccc2)C1
COc1ccc(cc1)C(CC#CCN1CCCC(C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1
COc1ccc(cc1)C(c2ccc(cc2)OC)(c3ccc(cc3)OC)OCCN4CCC[C@@H](C4)C(=O)O
COc1ccc(cc1)C(\C=C\CN1CCCC(C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1
COc1ccc(cc1)C(OCCN1CCCC(C1)C(O)=O)(c1ccc(OC)cc1C)c1ccc(OC)cc1C
COc1ccc(cc1)C(C#CCN1CCCC(C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1
COc1ccc(cc1)C(C#CCN1CCCC(C1)C(O)=O)(c1ccc(OC)cc1)c1ccc2OCOc2c1
[#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] |r|
OC(=O)C1CCCN(CCC\C=C\c2cccc(c2)\N=N\c2ccccc2)C1
OC(=O)C1CCCN(CCC=Cc2ccc(cc2)N=Nc2cccc3ccccc23)C1
OC(=O)C1CCCN(CCC\C=C\c2ccc(cc2)\N=N\c2ccccc2)C1
OC(=O)C1CCCN(CC\C=C\c2ccc(cc2)\N=N\c2cccc3ccccc23)C1
OC(=O)[C@@H]1CCCN(CCC#Cc2ccc(cc2)N=Nc2cccc3ccccc23)C1 |r|
OC(=O)C1CCCN(CCCC=Cc2cccc(c2)N=Nc2cccc3ccccc23)C1
OC(=O)C1CCCN(CC\C=C\c2ccccc2-c2ccccc2)C1
C1C[C@H](CNC1)C(=O)O
OC(=O)C1CCCN(CCC#Cc2ccc(cc2)N=Nc2ccccc2)C1
OC(=O)C1CCCN(CCCC#Cc2ccc(cc2)N=Nc2cccc3ccccc23)C1
OC(=O)C1CCCN(CCCC#Cc2ccc(cc2)\N=N\c2ccccc2)C1
OC(=O)[C@@H]1CCCN(CCC#Cc2cccc(c2)\N=N\c2cccc3ccccc23)C1 |r|
OC(=O)C1CCCN(CCC#Cc2cccc(c2)\N=N\c2ccccc2)C1
OC(=O)C1CCCN(CCC=Cc2cccc(c2)N=Nc2cccc3ccccc23)C1
OC(=O)C1CCCN(CCC#Cc2ccccc2-c2ccccc2)C1
OC(=O)C1CCCN(CCC\C=C\c2ccc(cc2)\N=N\c2cccc3ccccc23)C1
OC(=O)C1CCCN(CCCC#Cc2cccc(c2)\N=N\c2ccccc2)C1
OC(=O)C1CCCN(CCCC=Cc2ccc(cc2)N=Nc2cccc3ccccc23)C1
OC(=O)C1CCCN(CCC#Cc2cccc(c2)N=Nc2cccc3ccccc23)C1
OC(=O)C1CCCN(CCC#Cc2cccc(c2)\N=N\c2cccc3ccccc23)C1
OC(=O)C1CCCN(CCCC#Cc2ccc(cc2)N=Nc2ccccc2)C1
OC(=O)[C@@H]1CCCN(CCOCCc2cccc(c2)N=Nc2cccc3ccccc23)C1 |r|
OC(=O)C1CCCN(CC\C=C\c2cccc(c2)\N=N\c2ccccc2)C1
OC(=O)C1CCCN(CC\C=C\c2ccc(cc2)\N=N\c2ccccc2)C1
OC(=O)C1CCCN(CCC\C=C\c2cccc(c2)\N=N\c2cccc3ccccc23)C1
OC(=O)[C@@H]1CCCN(CCC#Cc2cccc(c2)\N=N\c2ccccc2)C1 |r|
OC(=O)[C@@H]1CCCN(CCC#Cc2ccc(cc2)\N=N\c2ccccc2)C1 |r|
OC(=O)C1CCCN(CCC#Cc2ccc(cc2)\N=N\c2cccc3ccccc23)C1
OC(=O)C1CCCN(CCCC#Cc2ccc(cc2)\N=N\c2cccc3ccccc23)C1
OC(=O)C1CCCN(CCC=Cc2cccc(c2)N=Nc2ccccc2)C1
OC(=O)C1CCCN(CCC=Cc2ccc(cc2)N=Nc2ccccc2)C1
OC(=O)C1CCCN(CCCC=Cc2cccc(c2)N=Nc2ccccc2)C1
OC(=O)C1CCCN(CCC#Cc2cccc(c2)N=Nc2ccccc2)C1
OC(=O)[C@@H]1CCCN(CCC#Cc2cccc(c2)N=Nc2ccccc2)C1 |r|
OC(=O)[C@@H]1CCCN(CCC#Cc2ccc(cc2)N=Nc2ccccc2)C1 |r|
OC(=O)C1CCCN(CCC#Cc2ccc(cc2)N=Nc2cccc3ccccc23)C1
OC(=O)C1CCCN(CCCC#Cc2cccc(c2)N=Nc2ccccc2)C1
OC(=O)C1CCCN(CCCC#Cc2cccc(c2)N=Nc2cccc3ccccc23)C1
OC(=O)C1CCCN(CC\C=C\c2cccc(c2)\N=N\c2cccc3ccccc23)C1
OC(=O)C1CCCN(CCCC#Cc2cccc(c2)\N=N\c2cccc3ccccc23)C1
OC(=O)C1CCCN(CCCC=Cc2ccc(cc2)N=Nc2ccccc2)C1
OC(=O)[C@@H]1CCCN(CCC#Cc2cccc(c2)N=Nc2cccc3ccccc23)C1 |r|
OC(=O)[C@@H]1CCCN(CCC#Cc2ccc(cc2)\N=N\c2cccc3ccccc23)C1 |r|
OC(=O)C1CCCN(CCC#Cc2ccc(cc2)\N=N\c2ccccc2)C1
COc1ccc(cc1)C(C\C=C\CN1CCCC(C1)C(O)=O)c1ccc(OC)cc1
COc1ccc(cc1)C(C\C=C\CN1CCCC(C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1
COc1ccc(cc1)C(\C=C\CN1CCCC(C1)C(O)=O)(c1ccsc1)c1ccc(OC)cc1
COc1ccc(cc1)C(\C=C\CN1CCCC(C1)C(O)=O)(c1ccc(OC)cc1)c1ccc2sccc2c1
COc1ccc(cc1)C(\C=C\CN1CCC[C@@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc2sccc2c1 |r|
COc1ccc(CC(\C=C\CN2CCCC(C2)C(O)=O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
OC(=O)C1CCCN(C\C=C\CC(c2ccccc2)(c2ccccc2)c2ccccc2)C1
OC(=O)C1CCCN(C\C=C\C(c2ccc3occc3c2)(c2ccc3occc3c2)c2ccc3occc3c2)C1
OC(=O)C1CCCN(C\C=C\C(c2ccc3OCOc3c2)(c2ccc3OCOc3c2)c2ccc3OCOc3c2)C1
COc1ccc(cc1)C(\C=C\CN1CCCC(C1)C(O)=O)(c1ccc(OC)cc1)c1ccc2OCOc2c1
COc1ccc(cc1)C(Cc1ccccc1)(\C=C\CN1CCCC(C1)C(O)=O)c1ccc(OC)cc1
OC(=O)C1CCCN(C\C=C\C(c2ccccc2)(c2ccccc2)c2ccccc2)C1
COc1ccc(cc1)C(\C=C\CN1CCCC(C1)C(O)=O)c1ccc(OC)cc1
Cc1ccc(cc1)C(\C=C\CN1CCCC(C1)C(O)=O)(c1ccc(C)cc1)c1ccc(C)cc1
COc1ccc(cc1)C(\C=C\CN1CCCC(C1)C(O)=O)(c1nccs1)c1ccc(OC)cc1
COc1ccc(cc1)C(O)(\C=C\CN1CCCC(C1)C(O)=O)c1ccc(OC)cc1
OC(=O)C1CCCN(C\C=C\CC(c2ccccc2)c2ccccc2)C1
OC(=O)C1CCCN(CCO\C=C\c2cc(F)ccc2Cc2ccc(F)cc2)C1
OC(=O)C1CCCN(CCO\C=C/c2ccc(F)cc2C(=O)c2cccc(F)c2)C1
OC(=O)C1CCCN(CCO\C=C\c2cc(F)ccc2C(=O)c2cccc(F)c2)C1
OC(=O)C1CCCN(CCO\C=C/c2ccccc2Cc2ccccc2)C1
OC(=O)C1CCCN(CCO\C=C/c2cc(F)ccc2Cc2ccccc2F)C1
OC(=O)C1CCCN(CCO\C=C\c2cc(F)ccc2Cc2ccccc2F)C1
OC(=O)C1CCCN(CCO\C=C/c2cc(F)ccc2Cc2cccc(F)c2)C1
OC(=O)C1CCCN(CCO\C=C\c2cc(F)ccc2Cc2cccc(F)c2)C1
OC(=O)C1CCCN(CCO\C=C\c2ccc(F)cc2Cc2ccc(F)cc2)C1
OC(=O)C1CCCN(CCO\C=C\c2ccccc2Cc2ccccc2)C1
OC(=O)C1CCCN(CCO\C=C\c2cc(F)ccc2C(=O)c2ccccc2F)C1
OC(=O)C1CCCN(CCO\C=C/c2cc(F)ccc2C(=O)c2cccc(F)c2)C1
OC(=O)C1CCCN(CCO\C=C\c2cc(F)ccc2C(=O)c2ccc(F)cc2)C1
OC(=O)C1CCCN(CCO\C=C\c2ccc(F)cc2C(=O)c2ccccc2F)C1
OC(=O)C1CCCN(CCO\C=C\c2ccc(F)cc2C(=O)c2ccc(F)cc2)C1
[#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c2ccccc2)-c2ccccc2)-[#6]-1
OC(=O)[C@@H]1CCCN(CCOCCc2ccccc2Cc2ccccc2)C1 |r|
[#6]-c1ccsc1\[#6](=[#6]/[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6]
OC(=O)C1CCCN(CCO\C=C/c2ccc(F)cc2C(=O)c2ccc(F)cc2)C1
OC(=O)C1CCCN(CCO\C=C/c2cc(F)ccc2Cc2ccc(F)cc2)C1
OC(=O)C1CCCN(CCO\C=C/c2cc(F)ccc2C(=O)c2ccc(F)cc2)C1
OC(=O)C1CCCN(CCO\C=C/c2ccc(F)cc2Cc2ccc(F)cc2)C1
OC(=O)C1CCCN(CCO\C=C\c2ccccc2C(=O)c2ccccc2)C1
C1C[C@H](CNC1)C(=O)O
OC(=O)C1CCCN(CCO\C=C/c2ccc(F)cc2Cc2ccccc2F)C1
OC(=O)C1CCCN(CCO\C=C/c2cc(F)ccc2C(=O)c2ccccc2F)C1
OC(=O)C1CCCN(CCO\C=C/c2ccc(F)cc2C(=O)c2ccccc2F)C1
OC(=O)C1CCCN(CCO\C=C/c2ccccc2C(=O)c2ccccc2)C1
OC(=O)C1CCCN(CCO\C=C\c2ccc(F)cc2Cc2ccccc2F)C1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1
[#6]-[#6@H](-[#8])-[#6]-[#6@@H](-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(-[#6])cc1 |r|
OCCC(NCCCC(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(Cl)cc1
[#8]-[#6]-[#6]-[#6](-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1
OCCC(NCCCC(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1Cl
Cc1ccc(CNC(=O)C(CCO)NCCCC(c2ccccc2)c2ccccc2)cc1
OCCC(NCCCC(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(F)cc1
CN(CCCC(c1ccccc1)c1ccccc1)C(CCO)C(=O)NCc1ccc(C)cc1
CN(CCCC(c1ccccc1)c1ccccc1)C(CCO)C(=O)NCc1ccccc1Cl
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccc(-[#6])cc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccccc1Cl
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccccc1
[#6]-[#6@@H](-[#8])-[#6]-[#6@@H](-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccccc1 |r|
[#6]-[#6@H](-[#8])-[#6]-[#6@@H](-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccccc1 |r|
OCCC(N1CCC(CC1)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1Cl
OCCC(N1CCC(CC1)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1
[#6]-[#6@@H](-[#8])-[#6]-[#6@@H](-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(F)cc1 |r|
[#6]-c1ccc(-[#6]-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#8])-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6](\c2ccccc2)-c2ccccc2)cc1
[#8]-[#6]-[#6]-[#6](-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(F)cc1
CN(CCCC(c1ccccc1)c1ccccc1)C(CCO)C(=O)NCc1ccc(F)cc1
[#6]-[#6@H](-[#8])-[#6]-[#6@@H](-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(F)cc1 |r|
CN(CCCC(c1ccccc1)c1ccccc1)C(CCO)C(=O)NCc1ccc(Cl)cc1
OCCC(N1CCC(CC1)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(Cl)cc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccc(F)cc1
OCCC(N1CCC(CC1)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(F)cc1
[#8]-[#6]-[#6]-[#6](-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccccc1
CN(CCCC(c1ccccc1)c1ccccc1)C(CCO)C(=O)NCc1ccccc1
Cc1ccc(CNC(=O)C(CCO)N2CCC(CC2)C(c2ccccc2)c2ccccc2)cc1
[#6]-[#6@H](-[#8])-[#6]-[#6@@H](-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1 |r|
OCCC(NCCCC(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1
COc1ccc(cc1)C(OCCN1CCCC(C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1
OC(=O)C1CCCN(CCOC2(c3ccccc3-c3ccccc23)c2ccccc2)C1
COc1ccc(cc1C(F)(F)F)C(OCCN1CCCC(C1)C(O)=O)(c1ccccc1)c1cccc(c1)C(F)(F)F
COc1ccc(cc1)C1(OCCN2CCCC(C2)C(O)=O)c2ccccc2-c2ccccc12
OC(=O)C1=CCCNC1 |t:3|
COc1ccc(cc1)C(OCCN1CCC[C@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1
COc1ccc(cc1)C(OCCN1CCCC(C1)C(O)=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
COc1ccc(cc1)C(OCCN1CCCC(C1)C(O)=O)(c1ccc(F)cc1)c1ccc(F)cc1
COc1ccc(cc1F)C(OCCN1CCCC(C1)C(O)=O)(c1ccccc1)c1cccc(F)c1
OC(=O)C1CCCN(CCOC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)C1
COc1ccc(cc1)C(SCCN1CCCC(C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1
COc1ccc(cc1)C(OCCN1CCC=C(C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1 |c:16|
COc1ccc(cc1)C(OCCCN1CCCC(C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1
OC(=O)C1CCCN(CCOC(c2ccccc2)(c2ccccc2)c2ccccc2)C1
OC(=O)C1=CCCN(CCOC(c2ccc(cc2)C(F)(F)F)c2ccc(cc2)C(F)(F)F)C1 |t:3|
OC(=O)C1CCCN(CCOC2(c3ccccc3)c3ccccc3Oc3ccccc23)C1
CN(C)CCOC1(CC2CCC1(C)C2(C)C)c1ccccc1 |TLB:5:6:13:10.9,THB:16:6:13:10.9|
C1C[C@@H](CNC1)C(=O)O
COc1ccc(cc1)C(OCCN1CCCC(C1)C(O)=O)(c1ccccc1)c1ccc(OC)cc1
OC(=O)C1CCCN(CCSC(c2ccccc2)(c2ccccc2)c2ccccc2)C1
COc1ccc(cc1)C(OCCN1CCCC(C1)C(O)=O)(c1ccccc1)c1ccccc1
COc1ccc(cc1)C(OCCN1CCCC(C1)C(O)=O)(c1ccc(C)cc1)c1ccc(C)cc1
OC(=O)C1CCCN(CCC\C=C\c2ccccc2-c2ccc(Cl)cc2Cl)C1
OC(=O)C1CCCN(CCN\N=C\c2ccccc2-c2ccc(Cl)cc2Cl)C1
COc1cccc(F)c1-c1ccccc1C=NOCCN1CCC(C1)C(O)=O
OC(=O)C1CCN(CCON=Cc2ccccc2-c2ccc(Cl)cc2Cl)C1
[#8]-[#6](=O)-[#6]-1=[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]\[#7]=[#6](\c2ccccc2)-c2ccccc2)-[#6]-1 |t:3|
OC(=O)C1CCN(CCON=Cc2ccccc2-c2ccc(F)cc2Cl)C1
OC(=O)CC1CCNC1
OC(=O)C1CCNC1
OC(=O)[C@H]1CNC[C@@H](CN\N=C\c2cnc(nc2)-c2ccc3ccccc3c2)C1 |r|
OC(=O)[C@H]1CNC[C@@H](CN\N=C\c2ccc(o2)-c2ccc(cc2Cl)C(F)(F)F)C1 |r|
OC(=O)[C@H]1CNC[C@@H](CN\N=C\c2ccc(o2)-c2ccccc2Cl)C1 |r|
OC(=O)[C@H]1CNC[C@@H](CN\N=C\c2ccc(o2)-c2ccccc2C(F)(F)F)C1 |r|
OC(=O)[C@H]1CNC[C@@H](CN\N=C\c2ccc(o2)-c2cc(ccc2Cl)C(F)(F)F)C1 |r|
OC(=O)[C@H]1CNC[C@@H](CN\N=C\c2ccc(o2)-c2ccc(F)c(c2)C(F)(F)F)C1 |r|
OC(=O)[C@H]1CNC[C@@H](CN\N=C\c2ccc(o2)-c2cccc3ccccc23)C1 |r|
OC(=O)[C@H]1CNC[C@@H](CN\N=C\c2ccc(o2)-c2ccccc2Br)C1 |r|
OC(=O)[C@H]1CNC[C@@H](CN\N=C\c2ccc(o2)-c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1 |r|
OC(=O)[C@H]1CNC[C@@H](CCN\N=C\c2ccc(o2)-c2ccc(cc2Cl)C(F)(F)F)C1 |r|
OC(=O)[C@H]1CNC[C@@H](CCN\N=C\c2ccc(o2)-c2ccc(Cl)cc2Cl)C1 |r|
OC(=O)[C@H]1CNC[C@@H](CN\N=C\c2cccc(Oc3ccccc3)c2)C1 |r|
OC(=O)[C@H]1CNC[C@@H](CN\N=C\c2ccc(o2)-c2cccc(c2)C(F)(F)F)C1 |r|
OC(=O)[C@H]1CNC[C@@H](CN\N=C\c2ccc(o2)-c2ccc(Cl)cc2[N+]([O-])=O)C1 |r|
OC(=O)[C@H]1CNC[C@@H](CN\N=C\c2ccc(o2)-c2cccc(Cl)c2)C1 |r|
OC(=O)[C@H]1CNC[C@@H](CN\N=C\c2ccc(o2)-c2ccc(Cl)cc2Cl)C1 |r|
OC(=O)[C@H]1CNC[C@H](C1)N\N=C\c1cc(F)ccc1-c1ccc(Cl)cc1 |r|
O=C1Nc2ccc(cc2C1=O)-c1cccs1
NC1=NC(CC(O)=O)CN1 |t:1|
OC(=O)C[C@H]1CCNC1 |r|
OC(=O)C[C@@H]1CCNC1
NC1=NC(CC(O)=O)CS1 |t:1|
C[C@H]1SC(N)=N[C@@H]1CC(O)=O |r,c:4|
[H][C@@]1(CSC(N)=N1)[C@@H](C)C(O)=O |r,c:5|
CC(C1CSC(N)=N1)C(O)=O |c:6|
OC(=O)CC1CNC=N1 |c:7|
[H][C@]1(CSC(N)=N1)[C@@H](C)C(O)=O |r,c:5|
C[C@@H]1SC(N)=N[C@@H]1CC(O)=O |r,c:4|
[#8]-[#6](=O)-[#6]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c2ccccc2)-c2ccccc2)-[#6]-1
OC(=O)C1CCCN(CCON=Cc2sccc2-c2ccc(Cl)cc2Cl)C1
OC(=O)C1CCCN(CCON=Cc2cc(F)ccc2-c2ccc(Cl)cc2Cl)C1
OC(=O)C1CCCN(CCON=Cc2ccccc2-c2ccc(F)cc2Cl)C1
OC(=O)[C@@H]1CCCN(CCO\N=C(/Cc2ccccc2F)c2ccccc2F)C1 |r|
OC(=O)[C@@H]1CCCN(CCON=Cc2ccccc2-c2ccc(F)cc2F)C1
OC(=O)[C@@H]1CCCN(CCON=Cc2ccccc2-c2ccc(Cl)cc2Cl)C1
OC(=O)C1=CCCN(CCON=Cc2ccccc2-c2ccc(Cl)cc2Cl)C1
OC(=O)C1CCCN(CCON=Cc2ccccc2-c2ccc(F)cc2F)C1
OC(=O)C1CCCN(CCON=Cc2ccccc2-c2ccc(Cl)cc2Cl)C1
OC(=O)[C@@H]1CCCN(CCON=Cc2ccccc2-c2ccc(F)cc2Cl)C1
OC(=O)C1=CCCN(CCON=Cc2ccccc2-c2ccc(F)cc2F)C1
COc1ccc(cc1)C(\C=C/CN1CCCC(C1)C(O)=O)c1ccc(OC)cc1
COc1ccc(cc1)C(Cc1ccccc1)(\C=C/CN1CCCC(C1)C(O)=O)c1ccc(OC)cc1
COc1ccc(cc1)C(\C=C/CN1CCCC(C1)C(O)=O)(c1ccc(OC)cc1)c1ccc2OCOc2c1
COc1ccc(cc1)C(\C=C/CN1CCCC(C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1
COc1ccc(cc1)C(\C=C/CCN1CCCC(C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1
COc1ccc(CC(\C=C/CN2CCCC(C2)C(O)=O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
COc1ccc(cc1)C(C\C=C/CN1CCCC(C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1
OC(=O)C1CCCN(C\C=C/CC(c2ccccc2)(c2ccccc2)c2ccccc2)C1
OC(=O)C1CCCN(CC\C=C/C(c2ccccc2)(c2ccccc2)c2ccccc2)C1
COc1ccc(cc1)C(\C=C/CN1CCCC(C1)C(O)=O)(c1ccsc1)c1ccc(OC)cc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1 |r|
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1sccc1-[#6])-c1sccc1-[#6])-[#6@H](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccccc1Cl |r|
NCC(O)C(O)=O
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccccc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccccc1Cl
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccc(F)cc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccc(-[#6])cc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccc(F)cc1F
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-[#6]-c1ccc(F)cc1
[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#8])-[#7](-[#6])-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-c1ccccc1
[#6]-[#6](-[#8])-[#6]-[#6](-[#7](-[#6])-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](=O)-[#7]-[#6]-c1ccccc1
[#6]-[#6](-[#8])-[#6]-[#6](-[#7](-[#6])-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1
[#6]-[#6](-[#8])-[#6]-[#6](-[#7](-[#6])-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](=O)-[#7]-[#6]-c1ccc(F)cc1
[#6]-[#6](-[#8])-[#6]-[#6](-[#7](-[#6])-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](=O)-[#7]-[#6]-c1ccc(-[#6])cc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccccc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccccc1Cl
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(F)cc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(-[#6])cc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#6]-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6]-c1ccccc1Cl
OC(=O)C1=CCCN(CCO\N=C\c2ccccc2-c2ccc(Cl)cc2Cl)C1 |t:3|
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccccc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccc(F)cc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccc(-[#6])cc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccc(cc1)C(F)(F)F
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1sccc1-[#6])-c1sccc1-[#6])-[#6]-1-[#6]-[#6]-c2onc(-[#8])c2-[#6]-1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccccc1Cl
C(CN)C(=O)O
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1sccc1-[#6])-c1sccc1-[#6])-[#6@@H]-1-[#6]-[#6]-c2onc(-[#8])c2-[#6]-1 |r|
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1sccc1-[#6])-c1sccc1-[#6])-[#6@H]-1-[#6]-[#6]-c2onc(-[#8])c2-[#6]-1 |r|
COc1ccc(cc1)C(OCCN1CCC[C@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1C |r|
NCC(N)C(O)=O
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1sccc1-[#6])-c1sccc1-[#6])-[#6@@H](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccccc1Cl |r|
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1 |r|
O[C@@H](CNCc1ccccc1)[C@H](Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1 |r|
CC(C)(C)CNC[C@@H](O)[C@H](Cc1ccccc1)NCC(c1ccccc1)c1ccccc1 |r|
O[C@@H](CNCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1 |r|
COc1ccccc1CNC[C@H](O)[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1 |r|
CC(C)(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)C(c2ccccc2)c2ccccc2)c1 |r|
CC(C)(C)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1 |r|
O[C@H](CNCC1CC1)[C@H](Cc1ccccc1)NC(=O)CC(c1ccccc1)c1ccccc1 |r|
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-c2ccccc-12)-[#6](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccccc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-c2ccccc-12)-[#6](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccccc1Cl
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-c2ccccc-12)-[#6](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-c2ccccc-12)-[#6](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccc(F)cc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-c2ccccc-12)-[#6](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccc(-[#6])cc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1\c2ccccc2-[#6]=[#6]-c2ccccc-12)-[#6](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccccc1 |c:13|
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1\c2ccccc2-[#6]=[#6]-c2ccccc-12)-[#6](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccccc1Cl |c:13|
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1\c2ccccc2-[#6]=[#6]-c2ccccc-12)-[#6](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1 |c:13|
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1\c2ccccc2-[#6]=[#6]-c2ccccc-12)-[#6](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccc(F)cc1 |c:13|
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1\c2ccccc2-[#6]=[#6]-c2ccccc-12)-[#6](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccc(-[#6])cc1 |c:13|
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccccc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccccc1Cl
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccc(F)cc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccc(-[#6])cc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccccc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccccc1Cl
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(F)cc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(-[#6])cc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6](-[#6]-[#6]-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6]-c1ccccc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6](-[#6]-[#6]-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6]-c1ccccc1Cl
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6](-[#6]-[#6]-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6](-[#6]-[#6]-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6]-c1ccc(F)cc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6](-[#6]-[#6]-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6]-c1ccc(-[#6])cc1
COc1ccc(cc1)C(OCCN1CCC[C@@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(cc1)-c1ccc(C=O)cc1 |r|
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#6](-[#8])=O |r|
[#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-2\c3ccccc3-c3ccccc-23)-[#6]-1
[#8]-[#6](=O)-[#6]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-2\c3ccccc3-[#6]-[#6]-c3ccccc-23)-[#6]-1
OC(=O)C1CCCN(CCON=C(/Cc2ccc(F)cc2)c2ccc(F)cc2)C1
OC(=O)C1CCCN(CC\C=C\c2ccccc2-c2ccc(Cl)cc2Cl)C1
OC(=O)[C@@H]1CCCN(CC\C=C\c2ccccc2-c2ccc(Cl)cc2Cl)C1 |r|
OC(=O)[C@@H]1CCCN(C1)\C=C\C=C\c1ccccc1-c1ccccc1-c1ccccc1 |r|
CCOC(=O)C1CCCN(CCCCN2CC3C4(CC3(CC2C4)c2ccccc2)c2ccccc2)C1 |TLB:23:19:14.15:17.22,29:17:14.15:20.19,THB:18:17:14.15:20.19,18:19:14.15:17.22,13:14:17.22:20.19,(4.69,-6.85,;6.03,-6.08,;6.03,-4.54,;7.36,-3.77,;8.7,-4.54,;7.36,-2.23,;8.7,-1.46,;8.7,.08,;7.36,.85,;6.03,.08,;4.69,.85,;3.36,.08,;2.03,.85,;.69,.08,;-.64,.85,;-1.98,.08,;-3.31,.85,;-3.31,2.39,;-4.85,2.39,;-4.85,.85,;-4.08,1.82,;-.64,2.39,;-1.98,3.16,;-6.08,-.08,;-5.82,-1.62,;-7.06,-2.54,;-8.49,-1.98,;-8.7,-.44,;-7.47,.49,;-3.72,3.87,;-5.21,4.28,;-5.57,5.77,;-4.49,6.85,;-3,6.49,;-2.59,5,;6.03,-1.46,)|
CCOC(=O)C1CCCN(CCCN2CC3C4(CCCC3(CC2C4)c2ccccc2)c2ccccc2)C1 |TLB:30:16:13.14:20.21,12:13:20.21:23.16,24:20:13.14:23.16,THB:17:16:13.14:20.21,19:20:13.14:23.16,(6.46,5.39,;5.13,6.16,;3.8,5.39,;2.46,6.16,;2.46,7.7,;1.13,5.39,;-.21,6.16,;-1.54,5.39,;-1.54,3.85,;-.21,3.08,;-.21,1.54,;1.13,.77,;1.13,-.77,;-.21,-1.54,;-1.54,-.77,;-2.87,-1.54,;-4.21,-.77,;-5.54,-1.54,;-5.54,-3.08,;-4.21,-3.85,;-2.87,-3.08,;-1.54,-3.85,;-.21,-3.08,;-2.51,-.77,;-2.87,-4.62,;-1.54,-5.39,;-1.54,-6.93,;-2.87,-7.7,;-4.21,-6.93,;-4.21,-5.39,;-4.62,.72,;-6.11,1.13,;-6.46,2.62,;-5.39,3.69,;-3.9,3.28,;-3.49,1.8,;1.13,3.85,)|
CN(CC\C=C\c1ccccc1-c1ccc(Cl)cc1Cl)C(CCN)C(=O)NCc1ccccc1
OC(=O)C1=CN(CC\C=C\c2ccccc2-c2ccccc2)CCC1 |t:3|
OC(=O)C1=CN(CC\C=C\c2ccccc2-c2ccc(Cl)cc2Cl)CCC1 |t:3|
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6](-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccccc1Cl
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccccc1Cl
CC(CC(O)=O)NCCOCCN1c2ccccc2Sc2ccccc12
OC(=O)[C@@H]1CCCN(CCOCCN2c3ccccc3Sc3ccccc23)C1 |r|
OC(CNCc1ccccc1)CNC(=O)C(c1ccccc1)c1ccccc1
CC(C)(C)c1cccc(CNCC(O)CNC(=O)C(c2ccccc2)c2ccccc2)c1
CC(C)(C)c1cccc(CNCC(O)CNC(=O)CC(c2ccccc2)c2ccccc2)c1
OC(CNCC1CC1)CNC(=O)CC(c1ccccc1)c1ccccc1
OC(CNCC1CCCCC1)CNC(=O)CC(c1ccccc1)c1ccccc1
[#8]-[#6](=O)-[#6@H]-1-[#6]-[#6]-[#6]-2-[#6]\[#6](-[#6]-[#6]-[#7]-2-[#6]-1)=[#6](\c1ccccc1)-c1ccccc1 |r|
[#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-2-[#6]\[#6](-[#6]-[#6]-[#7]-2-[#6]-1)=[#6](\c1ccccc1)-c1ccccc1 |r|
OC(=O)[C@H]1CCC2C[C@@H](CCN2C1)C(c1ccccc1)c1ccccc1 |r|
OC(=O)[C@@H]1CCC2C[C@@H](CCN2C1)C(c1ccccc1)c1ccccc1 |r|
[#6]-c1ccsc1\[#6](=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6@@H](F)-[#6]-[#6@H]-1-[#6](-[#8])=O)-c1sccc1-[#6] |r|
[#8]-[#6](=O)-[#6]-[#6@H]-1-[#6]-[#6@@H](F)-[#6]-[#7]-1-[#6]-[#6]\[#6]=[#6](\c1ccccc1)-c1ccccc1 |r|
[#8]-[#6](=O)-[#6]-[#6@H]-1-[#6]-[#6@H](F)-[#6]-[#7]-1-[#6]-[#6]\[#6]=[#6](\c1ccccc1)-c1ccccc1 |r|
[#6]-c1ccsc1\[#6](=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6@H](F)-[#6]-[#6@@H]-1-[#6]-[#6](-[#8])=O)-c1sccc1-[#6] |r|
[#6]-c1ccsc1\[#6](=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6@@H](F)-[#6]-[#6@@H]-1-[#6]-[#6](-[#8])=O)-c1sccc1-[#6] |r|
[#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6]=[#6](\c1ccccc1)-c1ccccc1 |r|
[#8]-[#6](=O)-[#6]-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6]=[#6](\c1ccccc1)-c1ccccc1 |r|
[#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](-[#8])=O)-c1sccc1-[#6] |r|
[#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#6](-[#8])=O)-c1sccc1-[#6] |r|
[#8]-[#6@@H]-1-[#6]-[#6@H](-[#7](-[#6]-[#6]\[#6]=[#6](\c2ccccc2)-c2ccccc2)-[#6]-1)-[#6](-[#8])=O |r|
[#8]-[#6@@H]-1-[#6]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7](-[#6]-[#6]\[#6]=[#6](\c2ccccc2)-c2ccccc2)-[#6]-1 |r|
[#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6@H](-[#8])-[#6]-[#6@H]-1-[#6]-[#6](-[#8])=O)-c1sccc1-[#6] |r|
[#8]-[#6@H]-1-[#6]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7](-[#6]-[#6]\[#6]=[#6](\c2ccccc2)-c2ccccc2)-[#6]-1 |r|
[#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6@@H](-[#8])-[#6]-[#6@H]-1-[#6]-[#6](-[#8])=O)-c1sccc1-[#6] |r|
[#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6@@H](F)-[#6]-[#7]-1-[#6]-[#6]\[#6]=[#6](\c1ccccc1)-c1ccccc1 |r|
[#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6@H](F)-[#6]-[#7]-1-[#6]-[#6]\[#6]=[#6](\c1ccccc1)-c1ccccc1 |r|
[#6]-c1ccsc1\[#6](=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6@H](F)-[#6]-[#6@H]-1-[#6](-[#8])=O)-c1sccc1-[#6] |r|
COc1ccc(cc1)C1(O)CCN(CCCn2c3ccccc3c3ccccc23)CC1
[#8]-[#6](=O)-[#6]-1=[#6]-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c2ccccc2)-c2ccccc2)-[#6]-1 |t:3|
OC(=O)[C@@H]1CCCN(CC\C=C(/c2ccccc2)c2ccccc2Cl)C1 |r|
OC(=O)[C@@H]1CCCN(CC\C=C(/c2ccccc2)c2ccccc2Br)C1 |r|
Cc1ccccc1\C(=C\CCN1CCC[C@H](C1)C(O)=O)c1ccccc1 |r|
CCc1ccccc1\C(=C\CCN1CCC[C@H](C1)C(O)=O)c1ccccc1 |r|
COc1ccccc1\C(=C\CCN1CCC[C@H](C1)C(O)=O)c1ccccc1 |r|
OC(=O)[C@@H]1CCCN(CC\C=C(/c2ccccc2)c2ccccc2OC(F)(F)F)C1 |r|
Cc1cc(F)ccc1\C(=C\CCN1CCC[C@H](C1)C(O)=O)c1ccccc1 |r|
OC(=O)[C@@H]1CCCN(CC\C=C(\c2ccccc2)c2ccccc2Cl)C1 |r|
OC(=O)[C@@H]1CCCN(CC\C=C(\c2ccccc2)c2ccccc2Br)C1 |r|
Cc1ccccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1 |r|
CCc1ccccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1 |r|
COc1ccccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1 |r|
OC(=O)[C@@H]1CCCN(CC\C=C(\c2ccccc2)c2ccccc2OC(F)(F)F)C1 |r|
Cc1cc(F)ccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1 |r|
Cc1cccc(C)c1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1 |r|
CCc1ccccc1\C(=C\CCN1CCC[C@H](C1)C(O)=O)c1ccccc1F |r|
OC(=O)[C@@H]1CCCN(CC\C=C(/c2ccccc2F)c2ccccc2C(F)(F)F)C1 |r|
Cc1ccccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1Cl |r|
Cc1ccccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1C(F)(F)F |r|
[#6]-c1ccccc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1ccccc1-[#6] |r|
CCc1ccccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1F |r|
OC(=O)[C@@H]1CCCN(CC\C=C(\c2ccccc2F)c2ccccc2Br)C1 |r|
OC(=O)[C@@H]1CCCN(CC\C=C(\c2ccccc2F)c2ccccc2OC(F)(F)F)C1 |r|
Cc1cc(F)ccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1F |r|
Cc1cc(F)ccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1C(F)(F)F |r|
[#8]-[#6](=O)C1(F)[#6]-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c2ccccc2)-c2ccccc2)-[#6]1
[#6]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6@@H]-1-[#7]-2-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1 |r,TLB:11:10:3.4.5:8.7|
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1ccc(-[#6])s1)-c1ccc(-[#6])s1)-[#6@H]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](-[#8])=O |r|
[#6]-c1ccc(s1)-[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6@H]-2-[#6@@H](-[#6]-1)-[#6@H]-2-[#6](-[#8])=O)\c1ccc(-[#6])s1 |r|
[#6]-c1ccc(s1)-[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6@H]-2-[#6@@H](-[#6]-1)-[#6@@H]-2-[#6](-[#8])=O)\c1ccc(-[#6])s1 |r|
[#6]-c1ccc(s1)-[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6@H]-2-[#6@@H](-[#6]-1)-[#6@@H]-2-[#6](-[#8])=O)\c1ccc(-[#6])s1 |r|
OC(=O)[C@@H]1CCCN(CC\C=C(\c2ccccc2F)c2ccccc2Cl)C1 |r|
COc1ccccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1F |r|
[#6]-c1ccc(s1)-[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]C(F)([#6]-1)[#6](-[#8])=O)\c1ccc(-[#6])s1
[#6]-c1ccc(s1)-[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#8]-[#6](-[#6]-1)-[#6](-[#8])=O)\c1ccc(-[#6])s1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1ccc(-[#6])s1)-c1ccc(-[#6])s1)-[#6@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](-[#8])=O |r|
[#6]-c1ccc(s1)-[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6@@H]-2-[#6@H](-[#6]-1)-[#6@@H]-2-[#6](-[#8])=O)\c1ccc(-[#6])s1 |r|
OC(=O)[C@@H]1CCCN(CC\C=C(/c2ccccc2)c2ccccc2F)C1 |r|
OC(=O)[C@@H]1CCCN(CC\C=C(/c2ccccc2)c2ccccc2C(F)(F)F)C1 |r|
OC(=O)[C@@H]1CCCN(CC\C=C(/c2ccccc2)c2ccccc2-c2ccccc2)C1 |r|
OC(=O)[C@@H]1CCCN(CC\C=C(/c2ccccc2)c2c(F)cccc2F)C1 |r|
OC(=O)[C@@H]1CCCN(CC\C=C(\c2ccccc2)c2ccccc2F)C1 |r|
OC(=O)[C@@H]1CCCN(CC\C=C(\c2ccccc2)c2ccccc2C(F)(F)F)C1 |r|
OC(=O)[C@@H]1CCCN(CC\C=C(\c2ccccc2)c2ccccc2-c2ccccc2)C1 |r|
OC(=O)[C@@H]1CCCN(CC\C=C(\c2ccccc2)c2c(F)cccc2F)C1 |r|
Cc1ccccc1\C(=C\CCN1CCC[C@H](C1)C(O)=O)c1ccccc1F |r|
OC(=O)[C@@H]1CCCN(CC\C=C(/c2ccccc2F)c2ccccc2Cl)C1 |r|
Cc1ccccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1F |r|
COc1ccccc1\C(=C\CCN1CCC[C@H](C1)C(O)=O)c1ccccc1C |r|
[#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c2ccccc2F)-c2ccccc2F)-[#6]-1 |r|
OC(=O)CCCCCCn1ccnc1
Cl.OC(=O)\C=C\CCc1ncc[nH]1
Cl.OC(=O)CCCCc1ncc[nH]1
Cl.OC(=O)CCCCc1c[nH]cn1
Cl.OC(=O)CCCc1c[nH]cn1
OC(=O)CCCn1ccnc1
Cl.OC(=O)\C=C\CCc1c[nH]cn1
OC(=O)Cc1c[nH]cn1
OC(=O)CCCCn1ccnc1
c1cn(cn1)CCCCCC(=O)O
C(CCN)CC(=O)O
CN(CCC=C(c1sccc1C)c1sccc1C)C1CCCc2o[nH]c(=O)c12 |(14.45,-29.58,;13.12,-28.81,;11.79,-29.58,;11.79,-31.12,;10.46,-31.89,;10.46,-33.43,;9.2,-34.32,;7.74,-33.83,;6.83,-35.07,;7.71,-36.32,;9.18,-35.86,;10.42,-36.78,;11.86,-34.07,;12.17,-35.57,;13.69,-35.75,;14.34,-34.35,;13.2,-33.31,;13.38,-31.78,;13.12,-27.27,;14.45,-26.5,;14.45,-24.97,;13.12,-24.2,;11.77,-24.97,;10.3,-24.49,;9.4,-25.74,;10.31,-26.99,;9.83,-28.46,;11.78,-26.51,)|
[#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]\[#7]=[#6](\c2ccccc2Cl)-c2ccccc2Cl)-[#6]-1
OC(=O)[C@@H]1CCCN(CCO\N=C(/c2cccc(F)c2)c2ccccc2F)C1
Cc1ccccc1\C(=C\OCCN1CCC=C(C1)C(O)=O)c1ccccc1F |c:16|
Cc1ccccc1\C(=C/OCCN1CCC[C@H](C1)C(O)=O)c1ccccc1
[#6]-c1ccccc1\[#6](=[#7]/[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]=[#6](-[#6]-1)-[#6](-[#8])=O)-c1ccccc1-[#6] |c:16|
Cc1ccsc1\C(=N/OCCN1CCC[C@@H](C1)C(O)=O)c1ccccc1C
[#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]\[#6]=[#6](/c2cc(F)ccc2F)-c2cc(F)ccc2F)-[#6]-1
OC(=O)[C@@H]1CCCN(CCO\C=C(/c2ccccc2)c2ccccc2Cl)C1
Cc1ccccc1\C(=C\OCCN1CCC[C@H](C1)C(O)=O)c1ccc(F)cc1C
COc1cccc(c1)C(=C/OCCN1CCC[C@H](C1)C(O)=O)\c1ccccc1C
OC(=O)[C@@H]1CCCN(CCO\C=C(/c2ccc(F)cc2F)c2cc(F)ccc2F)C1
Cc1ccsc1\C(=N/OCCN1CCC[C@H](C1)C(O)=O)c1cccs1
[#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]\[#6]=[#6](\c2ccccc2Cl)-c2ccccc2Cl)-[#6]-1
Cc1ccccc1\C(=N\OCCN1CCC[C@@H](C1)C(O)=O)c1cccc(Cl)c1
[#6]-c1ccccc1\[#6](=[#6]/[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1ccccc1-[#6]
OC(=O)[C@@H]1CCCN(CCO\N=C(\c2ccc(F)cc2F)c2cc(F)ccc2F)C1
Cc1ccccc1\C(=C/OCCN1CCC=C(C1)C(O)=O)c1cccc(Cl)c1 |c:16|
Cc1csc(c1)C(=N\OCCN1CCC[C@@H](C1)C(O)=O)\c1ccccc1C
OC(=O)C1CCCN(CCO\N=C(/c2ccccc2)c2ccccn2)C1
[#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]\[#7]=[#6](\c2cccc(Cl)c2)-c2cccc(Cl)c2)-[#6]-1
[#8]-[#6](=O)-[#6]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c2ccccc2)-c2ccccc2)-[#6]-1
[#8]-[#6](=O)-[#6]-1=[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]\[#7]=[#6](/c2ccccc2)-c2ccccc2)-[#6]-1 |t:3|
Cc1csc(c1)C(=N/OCCN1CCC[C@H](C1)C(O)=O)\c1ccccc1C
[#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#8]\[#7]=[#6](\c2ccccc2)-c2ccccc2)-[#6]-1
[#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]\[#7]=[#6](/c2ccccc2)-c2ccccc2)-[#6]-1
[#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]\[#6]=[#6](\c2ccccc2)-c2ccccc2)-[#6]-1
Cc1ccccc1\C(=N\OCCN1CCC[C@H](C1)C(O)=O)c1ccccc1Cl
[#8]-[#6](=O)-[#6@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]\[#7]=[#6](/c2ccccc2)-c2ccccc2)-[#6]-1
[#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#8]\[#6]=[#6](/c2ccccc2)-c2ccccc2)-[#6]-1
Cc1ccsc1\C(=N\OCCN1CCC[C@@H](C1)C(O)=O)c1ccccc1C
[#6]-c1ccsc1\[#6](=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6]
Cc1ccsc1\C(=N/OCCN1CCC[C@H](C1)C(O)=O)c1ccccc1C
[#6]-[#6]-c1ccsc1\[#6](=[#7]\[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6]-[#6]
[#6]-[#6]-c1ccccc1\[#6](=[#6]\[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1ccccc1-[#6]-[#6]
[#6]-c1cc(F)ccc1\[#6](=[#7]/[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1-[#6](-[#8])=O)-c1ccc(F)cc1-[#6]
Cc1ccsc1\C(=N\OCCN1CCC[C@H](C1)C(O)=O)c1ccc(Cl)cc1Cl
[#8]-[#6](=O)-[#6]-1=[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]\[#6]=[#6](\c2ccccc2Cl)-c2ccccc2Cl)-[#6]-1 |t:3|
[#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]\[#7]=[#6](\c2ccc(F)cc2Cl)-c2ccc(F)cc2Cl)-[#6]-1
[#6]-[#6]-c1ccccc1\[#6](=[#6]\[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]=[#6](-[#6]-1)-[#6](-[#8])=O)-c1ccccc1-[#6]-[#6] |c:17|
Cc1ccsc1\C(=N\OCCN1CCC[C@H](C1)C(O)=O)c1ccc(Cl)cc1C
Cc1ccccc1\C(=N\OCCN1CCC=C(C1)C(O)=O)c1cccc(Cl)c1 |c:16|
[#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]\[#6]=[#6](/c2ccc(F)cc2F)-c2ccc(F)cc2F)-[#6]-1
[#6]-c1ccccc1\[#6](=[#7]/[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1ccccc1-[#6]
[#6]-c1ccccc1\[#6](=[#7]/[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@@H](-[#6]-1)-[#6](-[#8])=O)-c1ccccc1-[#6]
[#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]\[#7]=[#6](\c2ccc(F)cc2F)-c2ccc(F)cc2F)-[#6]-1
[#6]-c1ccccc1\[#6](=[#6]/[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]=[#6](-[#6]-1)-[#6](-[#8])=O)-c1ccccc1-[#6] |c:16|
OC(=O)[C@@H]1CCCN(CCO\C=C(\c2ccccc2)c2ccccc2Cl)C1
[#6]-c1ccsc1\[#6](=[#7]/[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6]
[#6]-c1cc(F)ccc1\[#6](=[#6]\[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1ccc(F)cc1-[#6]
Cc1ccccc1\C(=N\OCCN1CCC[C@H](C1)C(O)=O)c1ccccc1F
Cc1ccsc1\C(=C\OCCN1CCC[C@H](C1)C(O)=O)c1ccccc1C
Cc1ccccc1\C(=C\OCCN1CCC[C@H](C1)C(O)=O)c1ccccc1
Cc1ccccc1\C(=C/OCCN1CCC[C@H](C1)C(O)=O)c1cccc(F)c1
Cc1csc(c1)C(=N\OCCN1CCC[C@H](C1)C(O)=O)\c1ccccc1C
Cc1csc(c1)C(=N/OCCN1CCC[C@@H](C1)C(O)=O)\c1ccccc1C
Cc1ccccc1\C(=C\OCCN1CCC[C@H](C1)C(O)=O)c1ccccc1Cl
COc1cccc(c1)C(=N/OCCN1CCC[C@H](C1)C(O)=O)\c1sccc1C
[#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]\[#6]=[#6](\c2cccc(Cl)c2)-c2cccc(Cl)c2)-[#6]-1
[#8]-[#6](=O)-[#6]-1=[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]\[#6]=[#6](\c2cccc(F)c2)-c2cccc(F)c2)-[#6]-1 |t:3|
[#6]-c1cc(F)ccc1\[#6](=[#6]\[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]=[#6](-[#6]-1)-[#6](-[#8])=O)-c1ccc(F)cc1-[#6] |c:17|
[#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]\[#6]=[#6](/c2ccc(F)cc2Cl)-c2ccc(F)cc2Cl)-[#6]-1
[#6]-c1ccsc1\[#6](=[#6]\[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6]
[#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]\[#6]=[#6](\c2ccccc2)-c2ccccc2)-[#6]-1
[#6]-[#6]-c1ccccc1\[#6](=[#7]\[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]=[#6](-[#6]-1)-[#6](-[#8])=O)-c1ccccc1-[#6]-[#6] |c:17|
Cn1cccc1\C(=N\OCCN1CCC[C@H](C1)C(O)=O)c1ccccc1
Cc1ccccc1\C(=C\OCCN1CCC[C@H](C1)C(O)=O)c1cccc(F)c1
[#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#6]=[#6](\c2ccccc2)-c2ccccc2)-[#6]-1
OC(=O)[C@@H]1CCCN(CCCCCCCCN(c2ccccc2)c2ccccc2)C1
OC(=O)[C@@H]1CCCN(CCCCOCCN(c2ccccc2)c2ccccc2)C1
Cc1ccccc1C(CCOCCN1CCC[C@H](C1)C(O)=O)c1ccccc1C
OC(=O)[C@@H]1CCCN(CCCCCN(c2ccccc2)c2ccccc2)C1
OC(=O)[C@@H]1CCCN(CCCCN(c2ccccc2)c2ccccc2)C1
OC(=O)[C@@H]1CCCN(CCCCCC(c2ccccc2)c2ccccc2)C1
OC(=O)[C@@H]1CCCN(CCOCCN(c2ccccc2)c2ccccc2)C1
OC(=O)[C@@H]1CCCN(CCCN(c2ccccc2)c2ccccc2)C1
OC(=O)[C@@H]1CCCN(CCCCCCCN(c2ccccc2)c2ccccc2)C1
OC(=O)C1CCCN(CCOC(c2ccccc2)c2ccccc2)C1
OC(=O)C1=CCCN(CCOCCC(c2ccccc2)c2ccccc2)C1 |t:3|
OC(=O)[C@@H]1CCCN(CCCCCCCC(=O)N(c2ccccc2)c2ccccc2)C1
OC(=O)[C@@H]1CCCN(CCOCCC(c2ccccc2)c2ccccc2)C1
Cc1ccccc1C(CCOCCN1CCC[C@H](C1)C(O)=O)c1ccccc1
OC(=O)[C@@H]1CCCN(CCOCCOCCN(c2ccccc2)c2ccccc2)C1
OC(=O)[C@@H]1CCCN(CCCCCCN(c2ccccc2)c2ccccc2)C1
[#6]-c1ccccc1\[#6](=[#6]\[#6]-[#8]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1ccccc1-[#6]
OC(=O)[C@@H]1CCCN(CCOCCC(c2ccc(F)cc2)c2cccc(F)c2)C1
[#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]-[#6]\[#6]=[#6](\c2ccccc2)-c2ccccc2)-[#6]-1
[#6]-c1ccccc1\[#6](=[#6]/[#6]-[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1ccccc1-[#6]
[#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]\[#6]=[#6](\c2ccccc2)-c2ccccc2)-[#6]-1
[#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]-[#6]\[#6]=[#6](/c2ccc(Cl)cc2)-c2ccc(Cl)cc2)-[#6]-1
CN(CCC(c1ccccc1)c1ccccc1)CCN1CCC[C@H](C1)C(O)=O
OC(=O)[C@@H]1CCCN(CCCOCCCN(c2ccccc2)c2ccccc2)C1
[#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]-[#6]\[#6]=[#6](/c2ccc(F)cc2)-c2ccc(F)cc2)-[#6]-1
Cc1ccccc1\C(=C\COCCN1CCC[C@H](C1)C(O)=O)c1ccccc1
CCOC(=O)CN(C)C(C)C(=C\C(=O)OCC)\c1ccccc1
CCOC(=O)CN(C)C(C)C(=C/C(=O)OCC)\c1ccccc1
[#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c2sccc2-[#6]-[#8]-[#6]-c2ccccc2)-c2sccc2-[#6]-[#8]-[#6]-c2ccccc2)-[#6]-1
[#8]-[#6](=O)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c2sccc2-[#6]-[#8]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-c2sccc2-[#6]-[#8]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#6]-[#6]-1
[#8]-[#6](=O)-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6]-[#8]-[#6]-c1ccccc1)-c1sccc1-[#6]-[#8]-[#6]-c1ccccc1
[#8]-[#6](=O)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c2sccc2-[#6]-[#8]-c2ccccc2)-c2sccc2-[#6]-[#8]-c2ccccc2)-[#6]-[#6]-1
[#6]-[#6](-[#6])-[#8]-[#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6]-[#8]-[#6](-[#6])-[#6]
[#6]-[#8]-[#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6]-[#8]-[#6]
[#8]-[#6](=O)-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6]-[#8]-c1cccc2ccccc12)-c1sccc1-[#6]-[#8]-c1cccc2ccccc12
[#8]-[#6](=O)-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6]-[#8]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-c1sccc1-[#6]-[#8]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
[#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c2sccc2-[#6]-[#8]-c2ccccc2)-c2sccc2-[#6]-[#8]-c2ccccc2)-[#6]-1
[#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1-[#6](-[#8])=O)-c1sccc1-[#6]
[#8]-[#6](=O)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c2sccc2-[#6]-[#8]-[#6]-c2ccccc2)-c2sccc2-[#6]-[#8]-[#6]-c2ccccc2)-[#6]-[#6]-1
[#8]-[#6](=O)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c2sccc2-[#6]-[#8]-c2cccc3ccccc23)-c2sccc2-[#6]-[#8]-c2cccc3ccccc23)-[#6]-[#6]-1
[#8]-[#6](=O)-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6]-[#8]-c1ccccc1)-c1sccc1-[#6]-[#8]-c1ccccc1
[#6]-[#8]-[#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1-[#6](-[#8])=O)-c1sccc1-[#6]-[#8]-[#6]
[#6]-[#6](-[#6])-[#8]-[#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1-[#6](-[#8])=O)-c1sccc1-[#6]-[#8]-[#6](-[#6])-[#6]
[#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6]
[#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c2sccc2-[#6]-[#8]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-c2sccc2-[#6]-[#8]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#6]-1
[#6]-[#6](-[#6])-[#8]-[#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6]-[#8]-[#6](-[#6])-[#6]
[#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c2sccc2-[#6]-[#8]-c2cccc3ccccc23)-c2sccc2-[#6]-[#8]-c2cccc3ccccc23)-[#6]-1
[#6]-[#8]-[#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6]-[#8]-[#6]
C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(cc1)-c1ccc(C[C@H](N)C(O)=O)cc1)[C@@H](C)O)C(O)=O
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)c1ccc(cc1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)OCc1ccccc1)C(=O)NCC(O)=O
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(cc1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(=O)N1CCCC1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Cc1cccc(C(SCCCN2CCC[C@H](C2)C(O)=O)c2ccccc2C)c1C |w:6.6|
OC(=O)[C@@H]1CCCN(CCSC(c2ccccc2)c2ccccc2)C1
OC(=O)[C@@H]1CCCN(CCCSC(c2ccccc2)c2ccccc2)C1
Cc1ccc(cc1)C(c1ccc(C)cc1)S(=O)CCN1CCCC(C1)C(O)=O
COc1ccc(cc1)C(c1ccc(OC)cc1)S(=O)CCN1CCCC(C1)C(O)=O
Cc1ccc(cc1)C(SCCCN1CCC[C@H](C1)C(O)=O)c1ccc(C)cc1
Cc1ccc(cc1)C(SCCN1CCC[C@H](C1)C(O)=O)c1ccc(C)cc1
Cc1cccc(C(c2ccccc2C)S(=O)CCN2CCCC(C2)C(O)=O)c1C
COc1ccc(cc1)C(SCCCN1CCC[C@H](C1)C(O)=O)c1ccc(OC)cc1
OC(=O)C1CCCN(CCS(=O)C(c2ccccc2)c2ccccc2)C1
Cc1cccc(C(SCCN2CCC[C@H](C2)C(O)=O)c2ccccc2C)c1C |w:6.6|
COc1ccc(cc1)C(SCCN1CCC[C@H](C1)C(O)=O)c1ccc(OC)cc1
OC(=O)[C@@H]1CCCN(CCOCCC(c2ccccc2)c2ccccc2)C1 |r|
OC(=O)[C@@H]1CCCN(CCOCCc2ccccc2-c2ccccc2)C1 |r|
Fc1cc(F)c(c(F)c1)-c1ccccc1C=O |(56.69,-57.91,;55.36,-57.14,;54.02,-57.91,;52.69,-57.14,;51.36,-57.92,;52.69,-55.6,;54.02,-54.83,;54.01,-53.29,;55.35,-55.59,;51.36,-54.84,;50.03,-55.61,;48.69,-54.84,;48.69,-53.29,;50.02,-52.52,;51.36,-53.29,;52.69,-52.51,;52.68,-50.97,)|
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6]-1-[#6]-2-[#6]-[#6](-[#6]=[#6]-2)-[#6]-1-[#6](-[#8])=O |c:24,TLB:1:18:22.23:20,THB:25:24:22.23:20|
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6]-1-[#6]-[#6]-[#6]-[#6]=[#6]-1-[#6](-[#8])=O |c:24|
CNC1CCCC=C1C(O)=O |c:6|
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](-[#8])=O |r|
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6]-1-[#6]-[#6]-[#6]=[#6]-1-[#6](-[#8])=O |c:23|
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](-[#8])=O |r|
CNC1C2CC(C=C2)C1C(O)=O |c:6,THB:1:2:6.7:4,9:8:6.7:4|
CN[C@H]1CCCC[C@H]1C(O)=O |r|
CN[C@@H]1CCCC[C@H]1C(O)=O |r|
CNC1CCCc2o[nH]c(=O)c12
OC(=O)[C@@H]1CCCN(CCOCCN2c3ccccc3C=Cc3ccccc23)C1 |r,c:21|
OC(=O)[C@@H]1CCCN(CCOCCN2c3ccccc3CCc3ccccc23)C1 |r|
N[C@@H]1C[C@H]1CC(O)=O |r|
O=C1OC[C@H](Cc2ccc3OCOc3c2)[C@H]1Cc1ccc2OCOc2c1 |r|
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(F)cc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(-[#6])cc1
[#7]-[#6]-[#6]-[#6](-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](/c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccccc1
NCCC(N1CCN(CC1)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1
NCCC(N1CCN(CC1)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1Cl
NCCC(N1CCN(CC1)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(Cl)cc1
NCCC(N1CCN(CC1)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(F)cc1
Cc1ccc(CNC(=O)C(CCN)N2CCN(CC2)C(c2ccccc2)c2ccccc2)cc1
[#7]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccccc1
[#7]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccccc1Cl
[#7]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1
[#7]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(F)cc1
[#6]-c1ccc(-[#6]-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#7])-[#7]-[#6]-[#6]\[#6]=[#6](/c2ccccc2)-c2ccccc2)cc1
CN(CCCC(c1ccccc1)c1ccccc1)C(CCN)C(=O)NCc1ccccc1
CN(CCCC(c1ccccc1)c1ccccc1)C(CCN)C(=O)NCc1ccccc1Cl
CN(CCCC(c1ccccc1)c1ccccc1)C(CCN)C(=O)NCc1ccc(Cl)cc1
CN(CCCC(c1ccccc1)c1ccccc1)C(CCN)C(=O)NCc1ccc(F)cc1
CN(CCCC(c1ccccc1)c1ccccc1)C(CCN)C(=O)NCc1ccc(C)cc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccccc1
[#7]-[#6]-[#6]-[#6](-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](/c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccccc1Cl
[#7]-[#6]-[#6]-[#6](-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](/c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1
[#7]-[#6]-[#6]-[#6](-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](/c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(F)cc1
[#6]-c1ccc(-[#6]-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#7])-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6](/c2ccccc2)-c2ccccc2)cc1
NCCC(N1CCC(CC1)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1
NCCC(N1CCC(CC1)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1Cl
NCCC(N1CCC(CC1)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(Cl)cc1
NCCC(N1CCC(CC1)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(F)cc1
Cc1ccc(CNC(=O)C(CCN)N2CCC(CC2)C(c2ccccc2)c2ccccc2)cc1
OC(=O)[C@@H]1CCCN(CCOCCc2cccc(c2)\N=N/c2cccc3ccccc23)C1 |r|
OC(=O)[C@@H]1CCCN(CCOCCc2ccc(cc2)\N=N/c2cccc3ccccc23)C1 |r|
OC(=O)[C@@H]1CCCN(CCOCCc2cccc(c2)\N=N\c2cccc3ccccc23)C1 |r|
OC(=O)[C@@H]1CCCN(CCOCCc2ccc(cc2)\N=N\c2cccc3ccccc23)C1 |r|
OC(=O)C1CCCN(CCOCCc2ccccc2\N=N/c2ccccc2)C1
OC(=O)C1CCCN(CCOCCc2cccc(c2)\N=N/c2ccccc2)C1
OC(=O)C1CCCN(CCOCCc2ccc(cc2)\N=N/c2ccccc2)C1
OC(=O)C1CCCN(CCOCCc2ccccc2\N=N\c2ccccc2)C1
OC(=O)C1CCCN(CCOCCc2cccc(c2)\N=N\c2ccccc2)C1
OC(=O)C1CCCN(CCOCCc2ccc(cc2)\N=N\c2ccccc2)C1
C1C[C@@H](NC1)CC(=O)O
[#8]-[#6](=O)C(F)(F)F.[H][C@@]1([#6]-[#6]-[#6]-[#7]1-[#6]-[#6]\[#6]=[#6](/c1sccc1-[#6])-c1sccc1-[#6])[#6@@H](-[#7])-[#6](-[#8])=O |r|
[H][C@@]1([#6]-[#6]-[#6]-[#7]1-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)[#6@H](-[#8])-[#6](-[#8])=O |r|
[H][C@@]1([#6]-[#6]-[#6]-[#7]1-[#6]-[#6]\[#6]=[#6](/c1sccc1-[#6])-c1sccc1-[#6])[#6@H](-[#8])-[#6](-[#8])=O |r|
[#8]-[#6](=O)C(F)(F)F.[H][C@@]1([#6]-[#6]-[#6]-[#7]1-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)[#6@H](-[#7])-[#6](-[#8])=O |r|
[#8]-[#6](=O)C(F)(F)F.[H][C@@]1([#6]-[#6]-[#6]-[#7]1-[#6]-[#6]\[#6]=[#6](/c1sccc1-[#6])-c1sccc1-[#6])[#6@H](-[#7])-[#6](-[#8])=O |r|
[H][C@@]1([#6]-[#6]-[#6]-[#7]1-[#6]-[#6]\[#6]=[#6](/c1sccc1-[#6])-c1sccc1-[#6])[#6@@H](-[#8])-[#6](-[#8])=O |r|
C1C[C@H](NC1)CC(=O)O
[H][C@@]1(CCCN1)[C@@H](O)C(O)=O |r|
[H][C@@]1([#6]-[#6]-[#6]-[#7]1-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)[#6@@H](-[#8])-[#6](-[#8])=O |r|
OC(=O)C(F)(F)F.[H][C@@]1(CCCN1)[C@@H](N)C(O)=O |r|
[#8]-[#6](=O)C(F)(F)F.[H][C@@]1([#6]-[#6]-[#6]-[#7]1-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)[#6@@H](-[#7])-[#6](-[#8])=O |r|
[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]\[#7]=[#6](\c2ccccc2)-c2ccccc2)-[#6]-[#6](-[#6]-1)-[#6](-[#8])=O
[#6]-c1ccsc1\[#6](=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]\[#7]=[#6](\c2ccccc2)-c2ccccc2)-[#6]-[#6](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6]
[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]\[#7]=[#6](\c2ccccc2)-c2ccccc2)-[#6]-[#6](-[#6]-1)-[#6](-[#8])=O
[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]\[#7]=[#6](\c2ccccc2)-c2ccccc2)-[#6]-[#6](-[#6]-1)-[#6](-[#8])=O
[#8]-[#6](=O)-[#6]-1-[#6]-[#7]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]\[#7]=[#6](\c2ccccc2)-c2ccccc2)-[#6]-1
[#6]-c1ccsc1\[#6](=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6](-[#6]-1)-[#6](-[#8])=O)-[#6](-[#7])=[#7])-c1sccc1-[#6]
[#6]-c1ccsc1\[#6](=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#8])-[#6]-[#6](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6]
[#6]-c1ccsc1\[#6](=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-c2ccccc2)-[#6]-[#6](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6]
[#6]-c1ccsc1\[#6](=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]=[#6])-[#6]-[#6](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6]
[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c2sccc2-[#6])-c2sccc2-[#6])-[#6]-[#6](-[#6]-1)-[#6](-[#8])=O
[#6]-[#6]-[#6](-[#6])-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c2sccc2-[#6])-c2sccc2-[#6])-[#6]-[#6](-[#6]-1)-[#6](-[#8])=O
[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c2sccc2-[#6])-c2sccc2-[#6])-[#6]-[#6](-[#6]-1)-[#6](-[#8])=O
[#6]-c1ccsc1\[#6](=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7]-[#6]-[#6](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6]
OC(=O)CCNCc1cn(CCOC(c2ccc(cc2)C(F)(F)F)c2ccc(cc2)C(F)(F)F)nn1
[#6]-c1ccsc1\[#6](=[#6]\[#6]-[#6]-n1cc(-[#6]-[#7]-[#6]-[#6]-[#6](-[#8])=O)nn1)-c1sccc1-[#6]
[#6]-[#7](-[#6]-[#6]-[#6]S([#8])(=O)=O)-[#6]-[#6]-[#8]\[#7]=[#6](\c1ccccc1)-c1ccccc1
[#6]-[#7](-[#6]-[#6]-[#6]P([#8])([#8])=O)-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
[#6]-[#7](-[#6]-[#6]-[#6]P([#8])([#8])=O)-[#6]-[#6]-[#8]\[#7]=[#6](\c1ccccc1)-c1ccccc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6]-[#6]-[#6](-[#8])=O
[#6]-[#7](-[#6]-[#6]-[#8]\[#7]=[#6](\c1ccccc1)-c1ccccc1)-[#6]-[#6]-[#6](-[#8])=O
[#6]-[#6]-[#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12 |r|
[#6]-[#6]-[#8]-[#6](=O)-[#6@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12 |r|
CCOC(=O)[C@@H]1CCCC[C@@H]1N(C)CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F |r|
CCOC(=O)[C@H]1CCCC[C@H]1N(C)CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F |r|
[#6]-[#7]-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6]
[#6]-[#7]-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
CNCCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F
[#6]-c1ccsc1\[#6](=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7]-[#6](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6]
[#8]-[#6](=O)-[#6]-1-[#6]-[#7](-[#6]-[#6]-[#8]\[#7]=[#6](\c2ccccc2)-c2ccccc2)-[#6]-[#6]-[#7]-1
OC(=O)C1CN(CCOC(c2ccc(cc2)C(F)(F)F)c2ccc(cc2)C(F)(F)F)CCN1
[#6]-c1ccsc1\[#6](=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7]-[#6]-[#6]-1-[#6](-[#8])=O)-c1sccc1-[#6]
[#6]-c1ccsc1\[#6](=[#6]\[#6]-[#6]-[#7]-[#6]-[#6]-[#6](-[#8])=O)-c1sccc1-[#6]
[#8]-[#6](=O)-[#6]-[#6]-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\c1ccccc1)-c1ccccc1
[#8]-[#6](=O)-[#6]-[#6]-[#7]-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6]-[#6]-[#6](-[#8])=O
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#6](-[#8])=O |r|
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#6](-[#8])=O |r|
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](-[#8])=O |r|
CN(CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)[C@@H]1CCCC[C@H]1C(O)=O |r|
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#6](-[#8])=O |r|
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](-[#8])=O |r|
CN(CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)[C@H]1CCCC[C@H]1C(O)=O |r|
CN(CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)[C@@H]1CCCC[C@@H]1C(O)=O |r|
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6]-1-[#6]-[#6]-[#6]-[#6]=[#6]-1-[#6](-[#8])=O |c:27|
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#8] |r|
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#6]-[#8] |r|
[#6]-[#7](-[#6]-[#6]-[#8]\[#7]=[#6](\c1ccccc1)-c1ccccc1)-[#6@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#8] |r|
[#6]-[#7](-[#6]-[#6]-[#8]\[#7]=[#6](\c1ccccc1)-c1ccccc1)-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#6]-[#8] |r|
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#8] |r|
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#6]-[#8] |r|
CN(CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)[C@H]1CCCC[C@H]1CO |r|
CN(CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)[C@@H]1CCCC[C@@H]1CO |r|
[#6]-[#6]-[#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#7](-[#6])-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6] |r|
[#6]-[#6]-[#8]-[#6](=O)-[#6@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#7](-[#6])-[#6]-[#6]\[#6]=[#6](/c1sccc1-[#6])-c1sccc1-[#6] |r|
[#6]-[#6]-[#8]-[#6](=O)-[#6@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#7](-[#6])-[#6]-[#6]-[#8]\[#7]=[#6](/c1ccccc1)-c1ccccc1 |r|
CCN1CCNCC1C(O)=O
[#8]-[#6](=O)-[#6]-1-[#6]-[#7]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#8]\[#7]=[#6](\c1ccccc1)-c1ccccc1
CCN1CCNC(C1)C(O)=O
[#6]-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\c1ccccc1)-c1ccccc1
CN(CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)C1CCCC=C1C(O)=O |c:32|
[#6]-[#7](-[#6]-[#6]-[#8]\[#7]=[#6](\c1ccccc1)-c1ccccc1)-[#6]-1-[#6]-[#6]-[#6]-[#6]=[#6]-1-[#6](-[#8])=O |c:25|
[#6]-[#7](-[#6]-[#6]-[#8]\[#7]=[#6](\c1ccccc1)-c1ccccc1)-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](-[#8])=O |r|
[#6]-[#7](-[#6]-[#6]-[#8]\[#7]=[#6](\c1ccccc1)-c1ccccc1)-[#6@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#6](-[#8])=O |r|
[#6]-[#7](-[#6]-[#6]-[#8]\[#7]=[#6](\c1ccccc1)-c1ccccc1)-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#6](-[#8])=O |r|
OC(=O)[C@@H]1CCCN(CCO\N=C(\c2ccccc2)c2ccccn2)C1 |r|
NC(Cc1ccc(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O
[H][C@@]12C[C@]1(N)CC[C@@H]2C(O)=O |r|
N[C@H]1C[C@H]1CC(O)=O |r|
O=C(CCN1CCCC1)N1CCCC11CCCCC1
O=C(CCN1CCCCC1)N1CCCC11CCCCC1
O=C(CCN1CCOCC1)N1CCCC11CCCCC1
CCOC(=O)C1CCCN(CCC(=O)N2CCCC22CCCCC2)C1
COC(=O)C1=CCCN(CCC(=O)N2CCCC22CCCCC2)C1 |t:4|
CCN(CC)CCC(=O)N1CCCC11CCCCC1
O=C(CCN1CCNCC1)N1CCCC11CCCCC1
O=C(CCN1CCOCC1)N1C(=O)C=CC11CCCC11OCCO1 |c:14|
O=C(CCN1CCNCC1)N1C(=O)C=CC11CCCC11OCCO1 |c:14|
CCOC(=O)C1CCCN(CCC(=O)N2C(=O)C=CC22CCCC22OCCO2)C1 |c:17|
O=C1CCC2(CCCC22OCCO2)N1
C=CCN1C(=O)CCC11CCCC11OCCO1
BrCC(=O)N1CCCC11CCCCC1
[N-]=[N+]=NCC(=O)N1C(=O)CCC11CCCCC1
ICC(=O)N1C(=O)CCC11CCCCC1
O=C(CCN1CCNCC1)N1C(=O)CCC11CCCCC1
CCN(CC)CCC(=O)N1C(=O)CCC11CCCCC1
CCOC(=O)C1CCCN(CCC(=O)N2C(=O)CCC22CCCCC2)C1
O=C(CCN1CCOCC1)N1C(=O)CCC11CCCCC1
O=C(CCN1CCCCC1)N1C(=O)CCC11CCCCC1
O=C(CCN1CCCC1)N1C(=O)CCC11CCCCC1
ClCC(=O)N1C(=O)CCC11CCCCC1
BrCC(=O)N1C(=O)CCC11CCCCC1
C=CC(=O)N1C(=O)CCC11CCCCC1=O
C=CC(=O)N1C(=O)C=CC11CCCC11OCCO1 |c:7|
C=CC(=O)N1C(=O)CCC11CCCCC1
C=CC(=O)N1CCCC11CCCCC1
BrCC(=O)N1C(=O)CCC11CCCCC1=O
O=C1CCC2(CCCCC2=O)N1
C1CNC2(C1)CCCCC2
O=C1CCC2(CCCCC2)N1
CN1CC[C@H](CC\C=C\c2ccccc2-c2ccccc2)[C@H](C1)C(O)=O |r|
CN1CC[C@H](CC\C=C\c2ccccc2Cc2ccccc2)[C@H](C1)C(O)=O |r|
CN1CC[C@H](CCC\C=C\c2ccccc2-c2ccccc2)[C@H](C1)C(O)=O |r|
CN1CC[C@H](CCC\C=C\c2ccccc2Cc2ccccc2)[C@H](C1)C(O)=O |r|
OC(=O)[C@H]1CNCC[C@@H]1CC\C=C\c1ccccc1-c1ccccc1 |r|
OC(=O)[C@H]1CNCC[C@@H]1CCC\C=C\c1ccccc1Cc1ccccc1 |r|
OC(=O)[C@H]1CNCC[C@H]1CCC\C=C\c1ccccc1Cc1ccccc1 |r|
OC(=O)[C@H]1CNCC[C@@H]1CCCC\C=C\c1ccccc1-c1ccccc1 |r|
OC(=O)[C@H]1CNCC[C@H]1CCCC\C=C\c1ccccc1-c1ccccc1 |r|
OC(=O)[C@H]1CNCC[C@H]1CCCC\C=C\c1ccccc1Cc1ccccc1 |r|
CN1CC[C@H](CCCC#Cc2ccccc2Cc2ccccc2)[C@H](C1)C(O)=O |r|
OC(=O)[C@H]1CNCC[C@H]1CCCC#Cc1ccccc1Cc1ccccc1 |r|
OC(=O)[C@H]1CNCC[C@@H]1CCCCC=C |r|
OC(=O)[C@H]1CNCC[C@H]1CCC\C=C\c1ccccc1-c1ccccc1 |r|
CN1CC[C@H](CCCC#Cc2ccccc2-c2ccccc2)[C@H](C1)C(O)=O |r|
OC(=O)[C@H]1CNCC[C@@H]1CCCC#C |r|
COc1ccc(cc1)C1(OCCCCn2ccnc2CCC(O)=O)c2ccccc2-c2ccccc12
COc1ccc(cc1)C1(OC\C=C/Cn2ccnc2CCC(O)=O)c2ccccc2-c2ccccc12
COc1ccc(cc1)C1(\C=C\COCCn2ccnc2CCC(O)=O)c2ccccc2-c2ccccc12
COc1ccc(cc1)C1(OCCCn2ccnc2CCC(O)=O)c2ccccc2-c2ccccc12
COc1ccc(cc1)C1(C\C=C\n2cncc2CC(O)=O)c2ccccc2-c2ccccc12
COc1ccc(cc1)C1(OCCCCCn2ccnc2\C=C\C(O)=O)c2ccccc2-c2ccccc12
COc1ccc(cc1)C1(OCCCCCn2ccnc2CCC(O)=O)c2ccccc2-c2ccccc12
[#8]-[#6](=O)-[#6]-[#6]-c1nccn1-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1
COc1ccc(cc1)C1(OCCOCCn2ccnc2CCC(O)=O)c2ccccc2-c2ccccc12
COc1ccc(cc1)C1(OCCCCCn2cncc2CC(O)=O)c2ccccc2-c2ccccc12