Compound Name

SMILES String

COc1cc(Cl)ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1cccnc1

Cc1cc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)cc(C)c1C#N

Cc1cc(Oc2ccc(c(F)c2)S(=O)(=O)Nc2ccc(F)cn2)cc(C)c1C#N

Cc1cccc(C)c1COc1cccc(c1)-c1nnn[nH]1

Cc1cccc(C)c1COc1cccc(Cc2nnn[nH]2)c1

COc1ccc(Cc2nnn[nH]2)cc1OCc1c(C)cccc1C

Cc1cccc(C)c1COc1cccc(CCc2nnn[nH]2)c1

Cc1ccc(Cc2nnn[nH]2)cc1OCc1c(C)cccc1C

CCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)Br)O)Br

CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)O

Cc1cn(Cc2c(C)cccc2C)c2cc(ccc12)C(O)=O

Cc1cn(Cc2c(C)cccc2C)c2cc(CC(O)=O)ccc12

Cc1nn(Cc2c(C)cccc2C)c2cc(CC(O)=O)ccc12

Cc1cccc(C)c1Cn1cc(Cl)c2ccc(CC(O)=O)cc12

Cc1cccc(C)c1CN1CCc2ccc(CC(O)=O)cc12

CC1CN(Cc2c(C)cccc2C)c2cc(CC(O)=O)ccc12

Cc1cccc(C)c1CN1CC(C)(C)c2ccc(CC(O)=O)cc12

Cc1cn(Cc2c(Cl)cccc2Cl)c2cc(CC(O)=O)ccc12

Cc1cn(Cc2cccc(Cl)c2Cl)c2cc(CC(O)=O)ccc12

Cc1cn(Cc2cc(C)ccc2C)c2cc(CC(O)=O)ccc12

Cc1cn(Cc2c(F)cccc2Cl)c2cc(CC(O)=O)ccc12

Cc1cn(Cc2ccccc2Cl)c2cc(CC(O)=O)ccc12

Cc1cn(Cc2cc3OCOc3cc2Cl)c2cc(CC(O)=O)ccc12

Cc1cn(Cc2c(Cl)cccc2Cl)c2cc(CCC(O)=O)ccc12

CCc1cn(Cc2c(C)cccc2C)c2cc(ccc12)C(O)=O

CC(C)c1cn(Cc2c(C)cccc2C)c2cc(ccc12)C(O)=O

Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(CC(O)=O)ccc12

Cc1nn(Cc2cccc(Cl)c2Cl)c2cc(CC(O)=O)ccc12

Cc1nn(Cc2c(C)cccc2Cl)c2cc(CC(O)=O)ccc12

Cc1nn(Cc2c(F)cccc2Cl)c2cc(CC(O)=O)ccc12

Cc1nn(Cc2csc3ccc(Cl)cc23)c2cc(CC(O)=O)ccc12

Cc1nn(Cc2cccc3ccccc23)c2cc(CC(O)=O)ccc12

Cc1nn(Cc2c(C)cc(C)cc2C)c2cc(CC(O)=O)ccc12

Cc1nn(Cc2c(Cl)cccc2C#N)c2cc(CC(O)=O)ccc12

CC(C(O)=O)c1ccc2c(C)nn(Cc3c(Cl)cccc3Cl)c2c1

Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(ccc12)C(C)(C)C(O)=O

Cc1nn(Cc2cccc3cccnc23)c2cc(CC(O)=O)ccc12

Cc1nn(Cc2c(C)cccc2C)c2cc(ccc12)C(O)=O

Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(ccc12)C(O)=O

Cc1nn(Cc2cccc(Cl)c2Cl)c2cc(ccc12)C(O)=O

Cc1nn(Cc2c(C)cccc2C)c2cc(CCC(O)=O)ccc12

Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(CCC(O)=O)ccc12

Cc1nn(Cc2csc3ccc(Cl)cc23)c2cc(CCC(O)=O)ccc12

Cc1nn(Cc2c(Cl)cccc2C#N)c2cc(CCC(O)=O)ccc12

Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(ccc12)C(O)C(O)=O

Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(ccc12)C(=O)CCC(O)=O

Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(CCC(N)=O)ccc12

Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(CCCC(O)=O)ccc12

Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(Cc3nnn[nH]3)ccc12

Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(CCc3nnn[nH]3)ccc12

Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(Cc3n[nH]c(=O)o3)ccc12

Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(Cc3n[nH]c(=S)o3)ccc12

Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(OCC(O)=O)ccc12

Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(CS(O)(=O)=O)ccc12

CCc1nn(Cc2c(Cl)cccc2Cl)c2cc(CC(O)=O)ccc12

CCc1nn(Cc2c(C)cccc2C)c2cc(CC(O)=O)ccc12

CCc1nn(Cc2c(C)cccc2C)c2cc(ccc12)C(O)=O

CCc1nn(Cc2c(Cl)cccc2Cl)c2cc(ccc12)C(O)=O

CCc1nn(Cc2c(Cl)cccc2Cl)c2cc(CCC(O)=O)ccc12

CCc1nn(Cc2c(Cl)cccc2Cl)c2cc(\C=C\C(O)=O)ccc12

CC(C)c1nn(Cc2c(C)cccc2C)c2cc(CC(O)=O)ccc12

OC(=O)Cc1ccc2c(nn(Cc3c(Cl)cccc3Cl)c2c1)C1CC1

Cc1cccc(C)c1Cn1nc(Cl)c2ccc(cc12)C(O)=O

OC(=O)c1ccc2c(nn(Cc3c(Cl)cccc3Cl)c2c1)[N+]#[C-]

Cc1nn(Cc2c(Cl)cccc2Cl)c2nc(Cc3nnn[nH]3)ccc12

Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(cnc12)C(O)=O

Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(cnc12)-c1nnn[nH]1

Cc1nn(Cc2cccc(Cl)c2Cl)c2cc(cnc12)-c1nnn[nH]1

Cc1nn(Cc2c(C)cccc2Cl)c2cc(cnc12)-c1nnn[nH]1

Cc1nn(Cc2cc(C)ccc2C)c2cc(cnc12)-c1nnn[nH]1

Cc1nn(Cc2c(Cl)cccc2C2CC2)c2cc(cnc12)-c1nnn[nH]1

CCc1nn(Cc2c(Cl)cccc2Cl)c2cc(cnc12)C(O)=O

CCc1nn(Cc2c(C)cccc2Cl)c2cc(cnc12)C(O)=O

CCc1nn(Cc2c(Cl)cccc2Cl)c2cc(cnc12)-c1nnn[nH]1

OC(=O)c1cnc2c(Cl)nn(Cc3c(Cl)cccc3Cl)c2c1

Cc1cccc(Cl)c1Cn1nc(Cl)c2ncc(cc12)C(O)=O

Clc1nn(Cc2c(Cl)cccc2Cl)c2cc(cnc12)-c1nnn[nH]1

Cc1cccc(Cl)c1Cn1nc(Cl)c2ncc(cc12)-c1nnn[nH]1

CCc1nn(Cc2c(Cl)cccc2Cl)c2cc(ccc12)-c1nnn[nH]1

Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(ccc12)C(F)(F)C(O)=O

Cc1nn(Cc2c(Cl)cccc2C2CC2)c2cc(CCC(O)=O)ccc12

CC(C)n1c2ccc(cc2n(Cc2c(C)cccc2C)c1=O)C(O)=O

Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(C#N)c(Cl)c3)c(c2)C#N)nc1

CCc1cccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)c1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3cccc(Cl)c3Cl)c(c2)C#N)nc1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3cc(ccc3F)C(F)(F)F)c(c2)C#N)nc1

Cc1cc(Cl)ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccc(F)cn1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(C#N)c(c3)C(F)(F)F)c(c2)C#N)nc1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3F)c(c2)C#N)nc1

COc1cc(F)cc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)c1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3Cl)c(c2)C#N)nc1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(cc3)C#N)c(c2)C#N)nc1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3cc(F)cc(F)c3)c(c2)C#N)nc1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(cc3F)C#N)c(c2)C#N)nc1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3Cl)c(c2)C#N)nc1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3cccc(c3)C#N)c(c2)C#N)nc1

Cc1cc(Cl)cc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)c1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3cccc(F)c3F)c(c2)C#N)nc1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3C#N)c(c2)C#N)nc1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3cccc(OC(F)(F)F)c3)c(c2)C#N)nc1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(F)c(c3)C#N)c(c2)C#N)nc1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)c(c2)C#N)nc1

Cc1ccc(F)cc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccc(F)cn1

Cc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)cc1Cl

Fc1ccc(NS(=O)(=O)c2ccc(Oc3cccc(c3)C(F)(F)F)c(c2)C#N)nc1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3cccc(Cl)c3F)c(c2)C#N)nc1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3cccc(Cl)c3)c(c2)C#N)nc1

Cc1cc(Cl)c(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)cc1C#N

Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3OC(F)(F)F)c(c2)C#N)nc1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3cc(F)cc(Cl)c3)c(c2)C#N)nc1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3cccc(c3F)C(F)(F)F)c(c2)C#N)nc1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(cc3Cl)C#N)c(c2)C#N)nc1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3Cl)c(c2)C#N)nc1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3cc(F)cc(F)c3Cl)c(c2)C#N)nc1

Cc1ccc(F)c(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)c1

Cc1cc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)ccc1Cl

Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)c(c2)C#N)nc1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3C#N)c(c2)C#N)nc1

Cc1ccc(Cl)c(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)c1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(F)c(Cl)c3Cl)c(c2)C#N)nc1

Cc1ccc(Cl)cc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccc(F)cn1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3cc(F)cc(c3)C(F)(F)F)c(c2)C#N)nc1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3F)c(c2)C#N)nc1

Cc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)c(Cl)c1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(C#N)c(F)c3)c(c2)C#N)nc1

COc1ccc(Cl)c(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)c1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3C#N)c(c2)C#N)nc1

CCc1ccccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccc(F)cn1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3F)c(c2)C#N)nc1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(F)c(c3)C(F)(F)F)c(c2)C#N)nc1

CC(C)c1ccccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccc(F)cn1

CCc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)cc1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3C(F)(F)F)c(c2)C#N)nc1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3cccc(F)c3)c(c2)C#N)nc1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3cc(F)ccc3F)c(c2)C#N)nc1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(cc3)C(F)(F)F)c(c2)C#N)nc1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(Cl)c(F)c3)c(c2)C#N)nc1

CCc1cc(F)ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccc(F)cn1

CC(C)c1cccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)c1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3I)c(c2)C#N)nc1

Cc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)cc1C#N

Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(Cl)c(c3)C#N)c(c2)C#N)nc1

Cc1cc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)ccc1C#N

Fc1ccc(NS(=O)(=O)c2ccc(Oc3cc(Cl)cc(c3)C#N)c(c2)C#N)nc1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3cc(ccc3Cl)C#N)c(c2)C#N)nc1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3cccc(C#N)c3Cl)c(c2)C#N)nc1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3cc(Cl)ccc3C#N)c(c2)C#N)nc1

COc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)cc1C#N

FC(F)Oc1cc(ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccc(F)cn1)C#N

Fc1ccc(NS(=O)(=O)c2ccc(Oc3cnc(C#N)c(Cl)c3)c(c2)C#N)nc1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3cc(ccc3F)C#N)c(c2)C#N)nc1

COc1ncc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)cc1Cl

COc1cc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)ccc1Cl

Fc1ccc(NS(=O)(=O)c2ccc(Oc3cc(F)c(cc3F)C#N)c(c2)C#N)nc1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3c(Cl)cccc3C#N)c(c2)C#N)nc1

FC(F)Oc1cc(Cl)ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccc(F)cn1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3cccc(C#N)c3F)c(c2)C#N)nc1

COc1cc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)ccc1C#N

Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(F)c(F)c3)c(c2)C#N)nc1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(F)c(Cl)c3)c(c2)C#N)nc1

Clc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccccn2)c(I)c1

COc1cc(Cl)ccc1Oc1ccc(cc1Cl)S(=O)(=O)Nc1cccnn1

FC(F)Oc1cc(Cl)ccc1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ncccn1

FC(F)Oc1cc(Cl)ccc1Oc1ccc(cc1Cl)S(=O)(=O)Nc1cccnn1

FC(F)Oc1cc(Cl)ccc1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cccnn1

FC(F)Oc1cc(Cl)ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1cccnn1

Clc1cc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccncn2)ccc1C#N

Fc1cc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2cccnn2)ccc1C#N

Clc1cc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccccn2)ccc1C#N

Clc1cc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncccn2)ccc1C#N

Fc1cnc(NS(=O)(=O)c2ccc(Oc3ccc(C#N)c(Cl)c3)c(c2)C#N)nc1

Clc1cc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2cccnc2)ccc1C#N

Clc1cc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2cnccn2)ccc1C#N

Clc1cc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccnnc2)ccc1C#N

Fc1ccc(NS(=O)(=O)c2cc(F)c(Oc3ccc(C#N)c(F)c3)cc2F)nc1

Clc1cc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2cncnc2)ccc1C#N

Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(C#N)c(F)c3)c(F)c2)nc1

Clc1cc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2cccnn2)ccc1C#N

Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(C#N)c(F)c3)cc2F)nc1

Clc1cc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccncc2)ccc1C#N

Cc1cccnc1NS(=O)(=O)c1ccc(Oc2ccc(C#N)c(Cl)c2)c(c1)C#N

COc1cccnc1NS(=O)(=O)c1ccc(Oc2ccc(C#N)c(Cl)c2)c(c1)C#N

Fc1cccnc1NS(=O)(=O)c1ccc(Oc2ccc(C#N)c(Cl)c2)c(c1)C#N

Fc1ccnc(NS(=O)(=O)c2ccc(Oc3ccc(C#N)c(Cl)c3)c(c2)C#N)c1

CC(C)c1cc(C)cc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)c1

COc1ccc(Cl)cc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccc(F)cn1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3cc(Cl)c(F)cc3Cl)c(c2)C#N)nc1

Cc1ccc(F)c(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)c1Cl

Cc1cc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)c(Cl)cc1Cl

CCOc1cc(Cl)ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccc(F)cn1

COc1cccc(F)c1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccc(F)cn1

COc1c(F)ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)c1Cl

CCN(CC)c1cccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)c1

COc1cccc(Cl)c1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccc(F)cn1

COc1cccc(C)c1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccc(F)cn1

CCOc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)cc1Cl

CC(C)c1ncc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)cc1Cl

Fc1ccc(NS(=O)(=O)c2ccc(Oc3cccc(c3)C3CC3)c(c2)C#N)nc1

Cc1ccc(F)c(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)c1F

COc1ccc(F)cc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccc(F)cn1

CC(C)COc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)cn1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(Cl)c(Cl)c3)c(c2)C#N)nc1

Cc1cccc(Cl)c1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccc(F)cn1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3c(F)cccc3F)c(c2)C#N)nc1

CCOc1ncc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)cc1Cl

CC(C)c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)cc1

CC(C)(C)c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)c(Cl)c1

Cc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)c(F)c1F

CC(C)(C)c1cccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)c1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3cc(F)c(F)cc3F)c(c2)C#N)nc1

CN(C)c1cccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)c1

COc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)cc1F

CC(C)c1cc(Cl)c(C)cc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccc(F)cn1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3c(F)ccc(F)c3F)c(c2)C#N)nc1

CCOc1cccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)c1

Cc1cc(Cl)c(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)cc1C

CC(C)(C)c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)cc1

CCOc1cc(C)ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccc(F)cn1

CC(C)c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)cc1C

COc1cc(C)ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccc(F)cn1

Cc1cc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)ccc1F

COc1ccccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccc(F)cn1

COc1cc(Cl)ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccc(F)cn1

COc1cc(F)c(F)cc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccc(F)cn1

Cc1cc(F)ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccc(F)cn1

CSc1ccccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccc(F)cn1

Cc1c(F)ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)c1Cl

COc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)cc1Cl

Cc1cc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)cc(C)c1Cl

Cc1cc(C)cc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)c1

CCOc1ccccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccc(F)cn1

Cc1cccc(C)c1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccc(F)cn1

CCOc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)cc1

CCOc1ncccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccc(F)cn1

COc1ccc(C)cc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccc(F)cn1

CC(C)Oc1ccc(F)cc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccc(F)cn1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(F)c(F)c3F)c(c2)C#N)nc1

Cc1ccc(C)c(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)c1

Cc1cc(Cl)cc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)c1C

COc1cc(F)ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccc(F)cn1

CC(C)(C)c1cc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)ccc1C#N

COc1cc(Cl)cc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)c1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(Br)cc3)c(c2)C#N)nc1

CC(C)c1cc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)ccc1Cl

COc1c(F)ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)c1C

COc1ccc(F)c(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)c1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(F)c(F)c3Cl)c(c2)C#N)nc1

COc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)c(Cl)c1

Cc1ccc(Cl)c(C)c1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccc(F)cn1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3cc(Cl)ccc3Cl)c(c2)C#N)nc1

Cc1cc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)cc(Cl)c1C

Cc1c(F)ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)c1C

COc1c(C)c(F)ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccc(F)cn1

CC(C)c1ccc(C)c(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)c1

Cc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)c(C)c1Cl

Fc1ccc(NS(=O)(=O)c2ccc(Oc3cc(F)ccc3Cl)c(c2)C#N)nc1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3cc(F)c(F)cc3Cl)c(c2)C#N)nc1

Cc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)c(Cl)c1C

Fc1ccc(NS(=O)(=O)c2ccc(Oc3cccc(Cl)c3C#N)c(c2)C#N)nc1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3cnc(C4CC4)c(Cl)c3)c(c2)C#N)nc1

COc1cccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)c1C

COc1cc(C)cc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)c1

Fc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)cc1

Cc1ncccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccc(F)cn1

Cc1ccccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccc(F)cn1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccccn3)c(c2)C#N)nc1

COc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)cc1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3Br)c(c2)C#N)nc1

COc1ccncc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccc(F)cn1

Cc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)cc1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3cccnc3)c(c2)C#N)nc1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(nc3)C(F)(F)F)c(c2)C#N)nc1

COc1ccc(cc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccc(F)cn1)C#N

Cc1ccncc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccc(F)cn1

COc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)cn1

COc1ccc(C)c(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)c1

COc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)c(C)c1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3cncc(Cl)c3)c(c2)C#N)nc1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(C#N)c(c3)C3CC3)c(c2)C#N)nc1

COc1cc(ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccc(F)cn1)C#N

Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(nc3)C#N)c(c2)C#N)nc1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3cncc(c3)C#N)c(c2)C#N)nc1

CC(C)Oc1ccccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccc(F)cn1

COc1cccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)c1

Fc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncccn2)cc1C#N

Fc1ccc(Oc2cc(F)c(cc2Cl)S(=O)(=O)Nc2ncccn2)cc1F

Fc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncccn2)cc1F

Fc1cnc(NS(=O)(=O)c2cc(Cl)c(Oc3ccc(F)c(F)c3)cc2F)nc1

Fc1ccc(Oc2cc(F)c(cc2Cl)S(=O)(=O)Nc2ncccn2)cc1C#N

Fc1cnc(NS(=O)(=O)c2cc(Cl)c(Oc3ccc(F)c(c3)C#N)cc2F)nc1

Fc1ccc(NS(=O)(=O)c2cc(Cl)c(Oc3ccc(C#N)c(F)c3)cc2F)nc1

Cc1ccnc(NS(=O)(=O)c2ccc(Oc3cccc(Cl)c3C#N)cc2)c1

Clc1cccc(Oc2ccc(cc2)S(=O)(=O)Nc2ccncc2)c1C#N

Clc1cccc(Oc2ccc(cc2)S(=O)(=O)Nc2ccccn2)c1C#N

Clc1cccc(Oc2ccc(cc2)S(=O)(=O)Nc2cccnc2)c1C#N

Cc1ccnc(NS(=O)(=O)c2ccc(Oc3cccc(Cl)c3C#N)cc2)n1

Cc1ccc(NS(=O)(=O)c2ccc(Oc3cccc(Cl)c3C#N)cc2)nc1

Clc1cccc(Oc2ccc(cc2)S(=O)(=O)Nc2ncccn2)c1C#N

Clc1cccc(Oc2ccc(cc2)S(=O)(=O)Nc2cnccn2)c1C#N

Nc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)cc1

Fc1cnc(NS(=O)(=O)c2cc(Cl)c(Oc3ccc(C#N)c(Cl)c3)cc2F)nc1

Fc1cc(Oc2ccc(C#N)c(Cl)c2)c(Cl)cc1S(=O)(=O)Nc1cccnn1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(C#N)c(F)c3)c(Cl)c2)nc1

Fc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2cc(ccn2)C#N)cc1Cl

Fc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(cn2)C#N)cc1Cl

FC(F)Oc1ncc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)cc1Cl

Clc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(C#N)c(Cl)c3)c(c2)C#N)nc1

Cc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(C#N)c(Cl)c3)c(c2)C#N)nc1

CC(C)(O)c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)cc1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3cc(F)c(C#N)c(Cl)c3)c(c2)C#N)nc1

Cc1ncc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)cc1Cl

OCc1ncc(Oc2ccc(c(F)c2)S(=O)(=O)Nc2ccc(F)cn2)cc1Cl

OCc1cc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)ccc1Cl

Fc1ccc(NS(=O)(=O)c2ccc(Oc3cc(Cl)c(C#N)c(Cl)c3)c(c2)C#N)nc1

Fc1ccc(NS(=O)(=O)c2ccc(Oc3cnc(N4CCC4)c(Cl)c3)c(c2)C#N)nc1

CNc1ncc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)cc1Cl

CN(C)c1ncc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)cc1Cl

Nc1ncc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)cc1Cl

OCc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)cc1Cl

Fc1ccc(NS(=O)(=O)c2cc(F)c(Oc3ccc(C#N)c(Cl)c3)c(c2)C#N)nc1

O=C(Nc1ccccc1)C1C(=O)NC(=S)NC1=O

Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccccc1

Oc1ccc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)cc1

Oc1ccc(NC(=O)c2c(O)[nH]c(=S)[nH]c2=O)cc1

Oc1ccc(NC(=O)c2c(O)[nH]c(=S)[nH]c2=O)c(F)c1

Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1cc(F)c(O)c(F)c1

Oc1ccc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)c(F)c1

Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccncc1

O=c1ncnc2[nH][nH]cc12

OC(=O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12 |(-2.97,1.02,;-1.83,-.01,;-2.15,-1.52,;-.36,.46,;-.04,1.97,;1.42,2.45,;1.9,3.91,;3.44,3.91,;3.91,2.45,;5.38,1.97,;2.67,1.54,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;3.44,-5.95,;1.9,-5.95,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,)|

OCc1cc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)ccc1O

Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1nnn[nH]1

Oc1[nH]c(=S)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1nnn[nH]1

Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc2n[nH]nc2c1

Oc1[nH]c(=S)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1cnn[nH]1

Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1cnn[nH]1

Oc1[nH]c(=S)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1noc(=O)[nH]1

Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1noc(=O)[nH]1

Oc1ncnc2[nH]ncc12

CC(C)(Sc1ccncc1-c1ccc(C#N)c2ccccc12)C(O)=O

OC(=O)CCc1cc2cncc(-c3ccc(C#N)c4ccccc34)c2s1

OC(=O)c1ccc2cncc(-c3ccc(cc3)C#N)c2c1

OC(=O)Cc1cc2cncc(-c3ccc(C#N)c4ccccc34)c2s1

OC(=O)CCc1ccc2cncc(-c3ccc(cc3)C#N)c2c1

OC(=O)Cc1cc2cncc(-c3ccc(cc3)C#N)c2s1

OC(=O)Cc1ccc2cncc(-c3ccc(C#N)c4ccccc34)c2c1

CC(C)(Cc1cc2cncc(-c3ccc(cc3)C#N)c2s1)C(O)=O

CC(C)(Sc1ccc2cncc(-c3ccc(cc3)C#N)c2c1)C(O)=O

CC(C)(Cc1cc2cncc(-c3ccc(C#N)c4ccccc34)c2s1)C(O)=O

CC(C)(Sc1ccc2cncc(-c3ccc(C#N)c4ccccc34)c2c1)C(O)=O

OC(=O)CCc1cc2cccc(Cc3c(Cl)cccc3Cl)c2s1

CC(C)(Oc1ccc2cncc(-c3ccc(cc3)C#N)c2c1)C(O)=O

OC(=O)CCc1cc2c(Cc3c(Cl)cccc3Cl)cccc2s1

C[C@@H](Oc1ccc2cncc(-c3ccc(cc3)C#N)c2c1)C(O)=O |r|

OC(=O)CCc1cc2c(cncc2s1)-c1ccc(C#N)c2ccccc12

C[C@H](Oc1ccc2cncc(-c3ccc(cc3)C#N)c2c1)C(O)=O |r|

CC(C)(Cc1cc2c(cccc2s1)-c1ccc(C#N)c2ccccc12)C(O)=O

CC(C)(Sc1ccc2cncc(-c3ccc(cc3F)C#N)c2c1)C(O)=O

CC(C)(Cc1cc2c(Cc3c(Cl)cccc3Cl)cccc2s1)C(O)=O

CC(C)(Sc1cc(F)c2cncc(-c3ccc(C#N)c4ccccc34)c2c1)C(O)=O

CC(O)(CC(O)=O)c1cc2c(cncc2s1)-c1ccc(C#N)c2ccccc12

CC(C)(Sc1ccc2cncc(-c3cccc4c(cccc34)C#N)c2c1)C(O)=O

CC(Cl)(CC(O)=O)c1cc2c(cncc2s1)-c1ccc(C#N)c2ccccc12

CC(C)(Sc1ccc2cncc(-c3ccc(C#N)c4OCCOc34)c2c1)C(O)=O

C[C@H](CC(O)=O)c1cc2c(cncc2s1)-c1ccc(C#N)c2ccccc12 |r|

CC(C)(Sc1ccc2cncc(-c3ccc(C#N)c4ccc(F)cc34)c2c1)C(O)=O

C[C@@H](CC(O)=O)c1cc2c(cncc2s1)-c1ccc(C#N)c2ccccc12 |r|

C\C(=C/C(O)=O)c1ccc2cncc(-c3ccc(cc3)[N+]([O-])=O)c2c1

C[C@H](CC(O)=O)c1cc2cncc(-c3ccc(cc3)C#N)c2s1 |r|

OC(=O)\C=C\c1ccc2cncc(-c3ccc(C#N)c4ccccc34)c2c1

C[C@@H](CC(O)=O)c1cc2cncc(-c3ccc(cc3)C#N)c2s1 |r|

CC(CC(O)=O)c1ccc2cncc(-c3ccc(C#N)c4ccccc34)c2c1

C[C@H](CC(O)=O)c1cc2cncc(-c3ccc(C#N)c4ccccc34)c2s1 |r|

CC(Cc1ccc2cncc(-c3ccc(C#N)c4ccccc34)c2c1)C(O)=O

C[C@@H](CC(O)=O)c1cc2cncc(-c3ccc(C#N)c4ccccc34)c2s1 |r|

CC(C)(Cc1ccc2cncc(-c3ccc(C#N)c4ccccc34)c2c1)C(O)=O

C[C@@H](Cc1cc2cncc(-c3ccc(C#N)c4ccccc34)c2s1)C(O)=O |r|

CC(Sc1ccc2cncc(-c3ccc(C#N)c4ccccc34)c2c1)C(O)=O

C[C@H](Cc1cc2cncc(-c3ccc(C#N)c4ccccc34)c2s1)C(O)=O |r|

CC(C)(Sc1ccc2cncc(-c3ccc(C#N)c(Cl)c3)c2c1)C(O)=O

CC(C)(Cc1cc2c(cncc2s1)-c1ccc(C#N)c2ccccc12)C(O)=O

CC(C)(Sc1ccc2cncc(-c3ccc(cc3Cl)C#N)c2c1)C(O)=O

CC(C)(Cc1cc2c(cncc2s1)-c1ccc(cc1)C#N)C(O)=O

OC(=O)C1(CCC1)Sc1ccc2cncc(-c3ccc(C#N)c4ccccc34)c2c1

CC(C)(C(O)=O)c1ccc2cncc(-c3ccc(C#N)c4ccccc34)c2c1

CC(NC(=O)Cc1c(Cl)cccc1Cl)c1ccc(CCC(O)=O)cn1

CC(C)(Sc1ccc2cnnc(-c3ccc(C#N)c4ccccc34)c2c1)C(O)=O

Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(SC(C)(C)C(O)=O)ccc12

CC(C)(Cc1ccc2cncc(-c3ccc(cc3)C#N)c2c1)C(O)=O

CC(C)(Sc1ccc2nccn2c1-c1ccc(cc1)C#N)C(O)=O

CC(CC(O)=O)c1cc2cncc(-c3ccc(C#N)c4ccccc34)c2s1

OC(=O)c1cc2cncc(-c3ccc(C#N)c4ccccc34)c2s1

CC(C)(Oc1ccc2ccccc2c1-c1ccc(C#N)c2ccccc12)C(O)=O |(-3.75,-2.29,;-4.52,-.95,;-5.29,.38,;-3.19,-.18,;-1.85,-.95,;-1.85,-2.49,;-.52,-3.26,;.81,-2.49,;2.15,-3.26,;3.48,-2.49,;3.48,-.95,;2.15,-.18,;.81,-.95,;-.52,-.18,;-.52,1.36,;-1.85,2.13,;-1.85,3.67,;-.52,4.44,;-.52,5.98,;-.52,7.52,;.81,3.67,;2.15,4.44,;3.48,3.67,;3.48,2.13,;2.15,1.36,;.81,2.13,;-5.85,-1.72,;-5.85,-3.26,;-7.19,-.95,)|

CC(C)(Sc1ccc2ccccc2c1-c1ccc(C#N)c2ccccc12)C(O)=O |(-3.75,-2.29,;-4.52,-.95,;-5.29,.38,;-3.19,-.18,;-1.85,-.95,;-1.85,-2.49,;-.52,-3.26,;.81,-2.49,;2.15,-3.26,;3.48,-2.49,;3.48,-.95,;2.15,-.18,;.81,-.95,;-.52,-.18,;-.52,1.36,;-1.85,2.13,;-1.85,3.67,;-.52,4.44,;-.52,5.98,;-.52,7.52,;.81,3.67,;2.15,4.44,;3.48,3.67,;3.48,2.13,;2.15,1.36,;.81,2.13,;-5.85,-1.72,;-5.85,-3.26,;-7.19,-.95,)|

CC(C)(Sc1ccc2ncccc2c1-c1ccc(cc1)[N+]#[C-])C(O)=O

CC(C)(Sc1ccc2ncsc2c1-c1ccc(cc1)C#N)C(O)=O

CC(C)(Sc1c(cnc2ccccc12)-c1ccc(cc1)C#N)C(O)=O

OC(=O)C1(CCC1)Sc1ccc2cnsc2c1-c1ccc(cc1)C#N

OC(=O)C1(CCCC1)Sc1ccc2cnsc2c1-c1ccc(cc1)C#N

CC(C)(Sc1ccc2cnsc2c1-c1ccc(cc1)[N+]([O-])=O)C(O)=O

CC(C)(Sc1ccc2cnsc2c1-c1ccc(cc1)C(F)(F)F)C(O)=O

CC(C)(Sc1ccc2cnsc2c1-c1ccc(Cl)cc1)C(O)=O

CC(C)(Sc1ccc2cnsc2c1-c1cccc(c1)C#N)C(O)=O

CC(C)(Sc1ccc2cnsc2c1-c1ccc(C#N)c(F)c1)C(O)=O

Cc1nsc2c(c(SC3(CCC3)C(O)=O)ccc12)-c1ccc(cc1)C#N

CCC(CC)(Sc1ccc2cnsc2c1-c1ccc(cc1)C#N)C(O)=O

CC(C)(C)C(Sc1ccc2cnsc2c1-c1ccc(cc1)C#N)C(O)=O

C\C(Sc1ccc2ccccc2c1-c1ccc(cc1)C#N)=C/C(O)=O

OC(=O)C1(CCCCC1)Sc1ccc2cnsc2c1-c1ccc(cc1)C#N

OC(=O)C1(CCC1)Sc1ccnc2ccccc12

OC(=O)C1(CCC1)Sc1ccnc2ccc(cc12)C(F)(F)F

OC(=O)C1(CCC1)Sc1ccnc2ccc(Br)cc12

COc1ccc2nccc(SC3(CCC3)C(O)=O)c2c1

COCCOc1ccc2nccc(SC3(CCC3)C(O)=O)c2c1

OC(=O)C1(CCC1)Sc1ccnc2ccc(cc12)-c1cccc(F)c1

OC(=O)C1(CCC1)Sc1ccnc2ccc(cc12)-c1ccc(F)cc1

OC(=O)C1(CCC1)Sc1ccnc2ccc(cc12)-c1cccc(c1)C(F)(F)F

COCc1ccc2nccc(SC3(CCC3)C(O)=O)c2c1

OC(=O)C1(CCC1)Sc1ccc(C#N)c2ccccc12

OC(=O)C1(CCC1)Sc1ccnc2ccc(F)cc12

COC(=O)COc1ccc2nccc(SC3(CCC3)C(O)=O)c2c1

OC(=O)C1(CCC1)Sc1ccnc2ccc(cc12)C#N

OC(=O)C1(CCC1)Sc1ccnc2ccc(cc12)-c1ccccc1C(F)(F)F

OC(=O)C1(CCC1)Sc1ccnc2ccc(cc12)C1CC1

OC(=O)C1(CCC1)Sc1ccnc2ccc(OCC#N)cc12

Cc1ccc2nccc(SC3(CCC3)C(O)=O)c2c1

OC(=O)C1(CCC1)Sc1ccnc2cc(Br)ccc12

OC(=O)C1(CCCC1)Sc1ccnc2ccc(Br)cc12

OC(=O)C1(CC1)Sc1ccnc2ccc(Br)cc12

OC(=O)C1(CSc2ccncc2-c2ccc(C#N)c3ccccc23)CC1

OC(=O)CCSc1ccncc1-c1ccc(C#N)c2ccccc12

OC(=O)CCCSc1ccncc1-c1ccc(C#N)c2ccccc12

OC(=O)CC1(CSc2ccncc2-c2ccc(C#N)c3ccccc23)CC1

OC(=O)[C@H]1CC(CSc2ccncc2-c2ccc(C#N)c3ccccc23)C1 |r,wU:3.2,(12.53,.52,;11.67,1.8,;12.35,3.18,;10.14,1.69,;9.25,.63,;8,1.54,;6.67,2.31,;5.33,1.54,;4,2.31,;4,3.85,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;2.67,-6.16,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;8.99,2.72,)|

OC(=O)[C@H]1CC(CSc2ccncc2-c2ccc(C#N)c3ccccc23)C1 |r,wD:3.2,(12.53,.52,;11.67,1.8,;12.35,3.18,;10.14,1.69,;8.99,2.72,;8,1.54,;6.67,2.31,;5.33,1.54,;4,2.31,;4,3.85,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;2.67,-6.16,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;9.25,.63,)|

OC(=O)[C@H]1CC(C1)Sc1ccncc1-c1ccc(C#N)c2ccccc12 |r,wD:3.2,(12.53,.52,;11.67,1.8,;12.35,3.18,;10.14,1.69,;8.99,2.72,;8,1.54,;9.25,.63,;5.33,1.54,;4,2.31,;4,3.85,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;2.67,-6.16,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,)|

CC(C)(Sc1ccncc1-[n]1N=C(C2CC2)c2ccccc12)C(O)=O |t:12|

CC(C)(Sc1ccncc1-c1ncc(C#N)c2ccccc12)C(O)=O

OC(=O)C(F)(F)CCSc1ccncc1-c1ccc(C#N)c2ccccc12

OC(=O)c1ccccc1Sc1ccncc1-c1ccc(C#N)c2ccccc12

OC(=O)c1cccc(Sc2ccncc2-c2ccc(C#N)c3ccccc23)c1

OC(=O)c1ccc(Sc2ccncc2-c2ccc(C#N)c3ccccc23)cc1

OC(=O)C1(CSc2ccncc2-c2ccc(C#N)c3ccccc23)CCCC1

OC(=O)C1(CSc2ccncc2-c2ccc(C#N)c3ccccc23)CCC1

CC(C)(CCC(O)=O)Sc1ccncc1-c1ccc(C#N)c2ccccc12

Cc1cc(cnc1-c1cnccc1SC(C)(C)C(O)=O)C#N

OC(=O)CC1(CSc2ccncc2-c2ccc(cc2)C#N)CC1

OC(=O)CC1(CSc2ccc(F)cc2C2=CC=C(CC2)C#N)CC1 |c:17,t:15|

OCC1=CC=C(CC1)c1cnccc1SCC1(CC(O)=O)CC1 |c:4,t:2|

OC(=O)CC1(CS(=O)(=O)c2ccccc2-c2ccc(cc2)C#N)CC1

OC(=O)CNc1ccncc1-c1ccc(cc1)C#N

CC(C)(Nc1ccncc1-c1ccc(cc1)C#N)C(O)=O

OC(=O)CNc1ccncc1-c1ccc(C#N)c2ccccc12

OC(=O)CCCNc1ccncc1-c1ccc(C#N)c2ccccc12

OC(=O)CC1(COc2ccncc2-c2ccc(cc2)C#N)CC1

OC(=O)CC1(COc2ccncc2-c2ccc(C#N)c3ccccc23)CC1

CC(C)(Oc1ccncc1-c1ccc(cc1)C#N)C(O)=O

OC(=O)CCc1ccncc1-c1ccc(C#N)c2ccccc12

CC(C)(Sc1ccncc1-c1ccc(cc1)C1(O)CC1)C(O)=O

OC(=O)CC1(CSc2ccncc2-c2ccc(cc2)C2(O)CC2)CC1

CC(C)(Sc1ccncc1-c1ccc(cc1)C1(O)COC1)C(O)=O

OC(=O)CC1(CSc2ccncc2-c2ccc(cc2)C2(O)COC2)CC1

CC(C)(Sc1ccncc1-c1ccc(cn1)C#N)C(O)=O

OC(=O)CC1(CSc2ccncc2-c2ccc(cn2)C#N)CC1

OC(=O)CC1(CSc2ccncc2-c2ccc(cn2)C(O)=O)CC1

CC(C)(Sc1cccnc1-c1ccc(cc1)C#N)C(O)=O

CC(C)(Sc1ccncc1-c1ccc(cc1)C#N)C(O)=O

OC(=O)C1(CCC1)Sc1ncccc1-c1ccc(C#N)c2ccccc12

CC(C)(Sc1ncncc1-c1ccc(C#N)c2ccccc12)C(O)=O

CC(C)(Sc1ccncc1-c1cccc2ncccc12)C(O)=O

CC(C)(Sc1ccncc1-c1ccc2OCCOc2c1)C(O)=O

OC(=O)C1(CCC1)Sc1ccncc1-c1ccc(C#N)c2ccccc12

CCc1ccc(cc1)-c1cnccc1SC(C)(C)C(O)=O

CC(C)(Sc1ccncc1-c1cccnc1)C(O)=O

CC(C)(Sc1ccncc1-c1ccc(cc1)C(F)(F)F)C(O)=O

CC(C)(Sc1ccncc1-c1ccc(Cl)cc1)C(O)=O

CSc1ccc(cc1)-c1cnccc1SC(C)(C)C(O)=O

CC(C)(Sc1ccncc1-c1ccccc1)C(O)=O

CC(C)(Sc1ccncc1-c1ccc(Cl)c(Cl)c1)C(O)=O

COc1ccc(cn1)-c1cnccc1SC(C)(C)C(O)=O

CC(C)(Sc1ccncc1-c1cncc2ccccc12)C(O)=O

COc1ccc2cc(ccc2c1)-c1cnccc1SC(C)(C)C(O)=O

CC(C)(Sc1ccncc1-c1ccc(F)c2ccccc12)C(O)=O

CCOc1ccc2cc(ccc2c1)-c1cnccc1SC(C)(C)C(O)=O

Cc1ccc(-c2cnccc2SC(C)(C)C(O)=O)c2ccccc12

CC(C)(Sc1ccncc1-c1ccc(cc1)S(N)(=O)=O)C(O)=O

CC(C)(Sc1ccncc1-c1cccc2ccccc12)C(O)=O

CC(C)(Sc1ccncc1-c1ccc(Cl)c(c1)C(F)(F)F)C(O)=O

OC(=O)C(F)(F)Sc1ccncc1-c1ccc(C#N)c2ccccc12

CC(C)(Sc1ccncc1-c1ccc(F)cc1)C(O)=O

COc1ncc(cn1)-c1cnccc1SC(C)(C)C(O)=O

CC(C)(Sc1ccncc1-c1ccnc2ccccc12)C(O)=O

CC(C)(Sc1ccncc1-c1ccc(CO)cc1)C(O)=O

CC(C)(Sc1ccncc1-c1ccc(cc1)C(N)=O)C(O)=O

Cc1ccc(cn1)-c1cnccc1SC(C)(C)C(O)=O

COc1cncc(c1)-c1cnccc1SC(C)(C)C(O)=O

Cc1cc(ccc1-c1cnccc1SC(C)(C)C(O)=O)C#N

CC(C)(Sc1ccncc1-c1ccncc1)C(O)=O

CC(C)(Sc1ccncc1-c1cccc(c1)C#N)C(O)=O

CC(C)(Sc1ccncc1-c1ccc(Br)cc1)C(O)=O

CC(C)(Sc1ccncc1-c1ccc(C(O)=O)c(F)c1)C(O)=O

Cc1cc(ccc1-c1cnccc1SC(C)(C)C(O)=O)C(N)=O

COc1ccc(cc1)-c1cnccc1SC(C)(C)C(O)=O

CC(C)(Sc1ccncc1-c1ccc(N)cc1)C(O)=O

COc1cc(ccc1C#N)-c1cnccc1SC(C)(C)C(O)=O

CC(C)(Sc1ccncc1-c1ccc(O)cc1)C(O)=O

CC(C)(Sc1ccncc1-c1ccc(C#N)c(F)c1)C(O)=O

Cc1ccc(cc1)-c1cnccc1SC(C)(C)C(O)=O

CC(=O)Nc1ccc(cc1)-c1cnccc1SC(C)(C)C(O)=O

CC(C)(Sc1ccncc1-c1ccc(cc1)S(C)(=O)=O)C(O)=O

CC(C)(Sc1ccncc1-c1ccc(C#N)c(Cl)c1)C(O)=O

CC(C)(Sc1cnccc1-c1ccc(cc1)C#N)C(O)=O

CC(C)(Sc1ncccc1-c1ccc(C#N)c2ccccc12)C(O)=O

OC(=O)CSc1ncccc1-c1ccc(C#N)c2ccccc12

CC(C)(Sc1nccnc1-c1ccccc1)C(O)=O

OC(=O)CSc1ncncc1-c1ccc(C#N)c2ccccc12

OC(=O)CSc1cncnc1-c1ccc(C#N)c2ccccc12

OC(=O)CSc1ccncc1-c1ccc(C#N)c2ccccc12

CC(C)(Sc1ccncc1-c1ccc(cc1)S(=O)(=O)NC1CC1)C(O)=O

CC(C)(Sc1ccncc1-c1ccc2OCOc2c1)C(O)=O

CC(C)(Sc1ccncc1-c1cnc2ccccc2c1)C(O)=O

CC(C)(Sc1ccncc1-c1cc2ccccc2[nH]1)C(O)=O

CC(C)(Sc1ccncc1-c1cccc2cnccc12)C(O)=O

CC(C)(Sc1ccncc1-c1ccc(F)c(F)c1)C(O)=O

CC(C)(Sc1ccncc1-c1ccc2ccccc2c1)C(O)=O

CC(C)(Sc1ccncc1-c1ccc(Br)c2ccccc12)C(O)=O

CN(C)c1ccc(cc1)-c1cnccc1SC(C)(C)C(O)=O

Cn1cc(cn1)-c1cnccc1SC(C)(C)C(O)=O

CC(C)(Sc1ccncc1-c1ccc(CC#N)cc1)C(O)=O

CC(C)(Sc1ccncc1-c1ccc(CC(N)=O)cc1)C(O)=O

CC(C)(Sc1ccncc1-c1ccc(S)cc1)C(O)=O

CC(C)(Sc1ccncc1-c1ccc(cc1F)C(O)=O)C(O)=O

CC(C)(Sc1ccncc1-c1ccc(cc1F)C#N)C(O)=O

CC(C)(Sc1ccncc1-c1ccc(cc1F)C(N)=O)C(O)=O

OC(=O)c1ccc(cc1O)-c1cc(cc2ccoc12)C#N

OC(=O)c1ccc(cc1O)-c1cc(cc2ccccc12)C#N

OC(=O)c1ccc(cc1O)-c1cc(cc2OCOc12)C#N

OC(=O)c1ccc(cc1O)-c1cc(cc2CCOc12)C#N

OC(=O)c1ccc(cc1O)-c1cc(cn2ccnc12)C#N

Cn1c(cc2c(cc(cc12)C#N)-c1ccc(C(O)=O)c(O)c1)C(F)(F)F

OC(=O)c1ccc(cc1O)-c1cc(cc2cc[nH]c12)C#N

OC(=O)c1ccc(cc1O)-c1cc(cc2ocnc12)C#N

Cc1cc2c(cc(cc2o1)C#N)-c1ccc(C(O)=O)c(O)c1

OC(=O)c1ccc(cc1O)-c1cc(cc2occc12)C#N

OC(=O)c1ccc(cc1O)-c1cc(cc2oc(cc12)C(F)(F)F)C#N

OC(=O)c1ccc(cc1O)-c1cc(cc2oc(Cl)cc12)C#N

OC(=O)c1ccc(cc1O)-c1cc(cc2oc(F)cc12)C#N

OC(=O)c1ccc(cc1O)-c1cc(cc2cc(F)oc12)C#N

OC(=O)c1ccc(cc1O)-c1cc(cc2sc(F)cc12)C#N

OC(=O)c1ccc(cc1O)-c1cc(cc2sccc12)C#N

OC(=O)c1ccc(cc1O)-c1cc(cc2sc(Cl)cc12)C#N

OC(=O)c1ccc(cc1O)-c1cc(cc2cc(Cl)oc12)C#N

COc1ccc2n(c(SC(C)(C)C(O)=O)nc2c1)-c1ccc(C#N)c2ccccc12 |(-6.13,5.82,;-4.62,6.14,;-3.59,5,;-4.07,3.53,;-3.03,2.39,;-1.53,2.71,;-.28,1.8,;.96,2.71,;2.43,2.23,;3.57,3.26,;2.54,4.41,;4.6,2.12,;4.72,4.29,;6.18,3.82,;4.4,5.8,;.49,4.17,;-1.05,4.17,;-2.08,5.32,;-.28,.26,;-1.62,-.51,;-1.62,-2.05,;-.28,-2.82,;-.28,-4.36,;-.28,-5.9,;1.05,-2.05,;2.39,-2.82,;3.72,-2.05,;3.72,-.51,;2.39,.26,;1.05,-.51,)|

CC(C)(Sc1nc2ccccc2n1-c1ccc(C#N)c2ccccc12)C(O)=O |(3.55,2.19,;2.52,3.33,;1.49,4.47,;1.38,2.3,;-.08,2.78,;-.56,4.24,;-2.1,4.24,;-3.13,5.38,;-4.64,5.06,;-5.11,3.6,;-4.08,2.46,;-2.58,2.78,;-1.33,1.87,;-1.33,.33,;-2.66,-.44,;-2.66,-1.98,;-1.33,-2.75,;-1.33,-4.29,;-1.33,-5.83,;0,-1.98,;1.34,-2.75,;2.67,-1.98,;2.67,-.44,;1.34,.33,;0,-.44,;3.67,4.36,;5.13,3.88,;3.35,5.87,)|

CC(C)(Sc1nc2cc(Br)ccc2n1-c1ccc(C#N)c2ccccc12)C(O)=O |(1.8,4.41,;2.83,3.27,;3.86,2.12,;1.68,2.24,;.22,2.71,;-.26,4.18,;-1.8,4.18,;-2.83,5.32,;-4.33,5,;-5.36,6.15,;-4.81,3.54,;-3.78,2.39,;-2.27,2.71,;-1.03,1.81,;-1.03,.27,;-2.36,-.5,;-2.36,-2.04,;-1.03,-2.81,;-1.03,-4.35,;-1.03,-5.89,;.31,-2.04,;1.64,-2.81,;2.98,-2.04,;2.98,-.5,;1.64,.27,;.31,-.5,;3.97,4.3,;5.44,3.82,;3.65,5.81,)|

CC(C)(Sc1nc2ccccc2n1-c1ccc(cc1)C#N)C(O)=O

CC(C)(Sc1nc2ccccc2n1-c1ccc(C2CC2)c2ccccc12)C(O)=O |(3.6,2.05,;2.57,3.2,;1.54,4.34,;1.43,2.17,;-.04,2.64,;-.51,4.11,;-2.05,4.11,;-3.08,5.25,;-4.59,4.93,;-5.07,3.47,;-4.04,2.32,;-2.53,2.64,;-1.28,1.74,;-1.28,.2,;-2.62,-.57,;-2.62,-2.11,;-1.28,-2.88,;-1.28,-4.42,;-.51,-5.76,;-2.05,-5.76,;.05,-2.11,;1.38,-2.88,;2.72,-2.11,;2.72,-.57,;1.38,.2,;.05,-.57,;3.72,4.23,;5.18,3.75,;3.4,5.73,)|

OC(=O)C(Sc1nc2ccccc2n1-c1ccc(C2CC2)c2ccccc12)c1ccc(Cl)cc1 |(.09,4.16,;1.55,3.69,;2.7,4.72,;1.87,2.18,;.73,1.15,;-.74,1.63,;-1.21,3.09,;-2.75,3.09,;-3.78,4.23,;-5.29,3.91,;-5.76,2.45,;-4.73,1.31,;-3.23,1.63,;-1.98,.72,;-1.98,-.82,;-3.32,-1.59,;-3.32,-3.13,;-1.98,-3.9,;-1.98,-5.44,;-1.21,-6.77,;-2.75,-6.77,;-.65,-3.13,;.69,-3.9,;2.02,-3.13,;2.02,-1.59,;.69,-.82,;-.65,-1.59,;3.34,1.7,;4.48,2.73,;5.95,2.26,;6.27,.75,;7.73,.28,;5.12,-.28,;3.66,.2,)|

CC(C)(Sc1nc2ccccc2n1-c1ccc(cc1F)[N+]([O-])=O)C(O)=O |(3.6,1.89,;2.51,2.97,;1.43,4.06,;1.43,1.89,;-.06,2.28,;-.54,3.75,;-2.08,3.75,;-3.11,4.89,;-4.61,4.57,;-5.09,3.11,;-4.06,1.96,;-2.55,2.28,;-1.31,1.38,;-1.31,-.16,;-2.64,-.93,;-2.64,-2.47,;-1.34,-3.35,;.03,-2.47,;.03,-.93,;1.36,-.16,;-1.36,-4.89,;-2.71,-5.64,;-.04,-5.67,;3.6,4.06,;5.09,3.66,;3.21,5.55,)|

CC(C)(Sc1nc2ccccc2n1-c1ccccc1)C(O)=O

CC(C)(Sc1nc2ccccc2n1-c1ccc(Br)cc1F)C(O)=O |(3.6,1.5,;2.51,2.59,;1.43,3.68,;1.43,1.5,;-.06,1.9,;-.54,3.36,;-2.08,3.36,;-3.11,4.51,;-4.61,4.19,;-5.09,2.72,;-4.06,1.58,;-2.55,1.9,;-1.31,.99,;-1.31,-.55,;-2.64,-1.32,;-2.64,-2.86,;-1.31,-3.63,;-1.31,-5.17,;.03,-2.86,;.03,-1.32,;1.36,-.55,;3.6,3.68,;5.09,3.28,;3.2,5.17,)|

CC(C)(Sc1nc2ccccc2n1-c1ccc(Cl)cc1F)C(O)=O |(3.6,1.5,;2.51,2.59,;1.43,3.68,;1.43,1.5,;-.06,1.9,;-.54,3.36,;-2.08,3.36,;-3.11,4.51,;-4.61,4.19,;-5.09,2.72,;-4.06,1.58,;-2.55,1.9,;-1.31,.99,;-1.31,-.55,;-2.64,-1.32,;-2.64,-2.86,;-1.31,-3.63,;-1.31,-5.17,;.03,-2.86,;.03,-1.32,;1.36,-.55,;3.6,3.68,;5.09,3.28,;3.2,5.17,)|

CC(C)(Sc1nc2ccccc2n1-c1ccccc1F)C(O)=O |(3.6,.73,;2.51,1.82,;1.43,2.91,;1.43,.73,;-.06,1.13,;-.54,2.59,;-2.08,2.59,;-3.11,3.74,;-4.61,3.42,;-5.09,1.95,;-4.06,.81,;-2.55,1.13,;-1.31,.22,;-1.31,-1.32,;-2.64,-2.09,;-2.64,-3.63,;-1.31,-4.4,;.03,-3.63,;.03,-2.09,;1.36,-1.32,;3.6,2.91,;5.09,2.51,;3.2,4.4,)|

[O-]C(=O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12 |(-5.3,3.5,;-4.98,5.01,;-6.12,6.04,;-3.51,5.48,;-2.37,4.45,;-.9,4.93,;-.43,6.39,;1.11,6.39,;1.59,4.93,;3.05,4.45,;.34,4.02,;.34,2.48,;-.99,1.71,;-.99,.17,;.34,-.6,;.34,-2.14,;1.11,-3.47,;-.43,-3.47,;1.68,.17,;3.01,-.6,;4.34,.17,;4.34,1.71,;3.01,2.48,;1.68,1.71,)|

CC(C)(Sc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12)C([O-])=O |(-4.19,3.27,;-2.69,2.95,;-1.18,2.63,;-2.37,4.45,;-.9,4.93,;-.43,6.39,;1.11,6.39,;1.59,4.93,;3.05,4.45,;.34,4.02,;.34,2.48,;-.99,1.71,;-.99,.17,;.34,-.6,;.34,-2.14,;1.11,-3.47,;-.43,-3.47,;1.68,.17,;3.01,-.6,;4.34,.17,;4.34,1.71,;3.01,2.48,;1.68,1.71,;-3.01,1.44,;-4.47,.97,;-1.86,.41,)|

[O-]C(=O)CCc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12 |(-5.3,3.5,;-4.98,5.01,;-6.12,6.04,;-3.51,5.48,;-2.37,4.45,;-.9,4.93,;-.43,6.39,;1.11,6.39,;1.59,4.93,;3.05,4.45,;.34,4.02,;.34,2.48,;-.99,1.71,;-.99,.17,;.34,-.6,;.34,-2.14,;1.11,-3.47,;-.43,-3.47,;1.68,.17,;3.01,-.6,;4.34,.17,;4.34,1.71,;3.01,2.48,;1.68,1.71,)|

[O-]C(=O)CSc1nnc(Br)n1Cc1ccc(C2CC2)c2ccccc12

[O-]C(=O)CCc1nnc(Br)n1Cc1ccc(C2CC2)c2ccccc12

OC(=O)CSc1nnc(Cl)n1Cc1ccc(C2CC2)c2ccccc12

OC(=O)CSc1nnc(I)n1Cc1ccc(C2CC2)c2ccccc12

CCCc1ccc(Cn2c(Br)nnc2SCC(O)=O)c2ccccc12

CC(C)c1ccc(Cn2c(Br)nnc2SCC(O)=O)c2ccccc12

CC(C)(Sc1nnc(Br)n1Cc1ccc(C2CC2)c2ccccc12)C(O)=O

CC(C)(Sc1nnc(Cl)n1Cc1ccc(C2CC2)c2ccccc12)C(O)=O

CCCc1ccc(Cn2c(Br)nnc2SC(C)(C)C(O)=O)c2ccccc12

CCCc1ccc(Cn2c(Br)nnc2CCC(O)=O)c2ccccc12

CC(C)c1ccc(Cn2c(Br)nnc2CCC(O)=O)c2ccccc12

CCCc1ccc(Cn2c(Br)nnc2CC(C)(C)C(O)=O)c2ccccc12

CC(C)c1ccc(Cn2c(Br)nnc2CC(C)(C)C(O)=O)c2ccccc12

OC(=O)CSc1nnc(Br)n1Cc1ccc(Br)c2ccccc12

OC(=O)CCc1nnc(Br)n1Cc1ccc(Br)c2ccccc12

Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc(cc1)-c1nn[nH]c1-c1ccccc1

Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc(-c2c[nH]nn2)c(c1)C(F)(F)F

Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccc(cc1C(F)(F)F)-c1c[nH]nn1

Oc1cc([nH]n1)-c1ccc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)cc1

OC(=O)CSc1nnc(Br)n1-c1sc(C2CC2)c2CCCCc12 |(4.52,5.01,;3.18,4.24,;3.18,2.7,;1.85,5.01,;.52,4.24,;-.82,5.01,;-.82,6.55,;-2.28,7.02,;-3.19,5.78,;-4.73,5.78,;-2.28,4.53,;-3.05,3.2,;-2.15,1.95,;-3.05,.71,;-2.65,-.78,;-3.74,-1.87,;-1.51,-1.81,;-4.52,1.18,;-5.85,.41,;-7.18,1.18,;-7.18,2.72,;-5.85,3.49,;-4.52,2.72,)|

OC(=O)CSc1nncn1-c1sc(C2CC2)c2CCCCc12

OC(=O)CSc1nnc(Br)n1-c1sc(c2CCCCc12)-c1ccccc1 |(5.12,5.06,;4.04,3.97,;4.43,2.48,;2.55,4.37,;1.46,3.28,;-.03,3.68,;-.5,5.14,;-2.04,5.14,;-2.52,3.68,;-3.85,2.91,;-1.27,2.77,;-1.27,1.23,;-2.52,.33,;-2.04,-1.14,;-.5,-1.14,;.53,-2.28,;2.03,-1.96,;2.51,-.5,;1.48,.65,;-.03,.33,;-2.81,-2.47,;-4.35,-2.47,;-5.12,-3.81,;-4.35,-5.14,;-2.81,-5.14,;-2.04,-3.81,)|

CC(Sc1nnc(Br)n1-c1sc(c2CCCCc12)-c1ccccc1)C(O)=O |(2.15,5.5,;2.55,4.01,;1.46,2.92,;-.03,3.32,;-.5,4.78,;-2.04,4.78,;-2.52,3.32,;-3.85,2.55,;-1.27,2.41,;-1.27,.87,;-2.52,-.03,;-2.04,-1.5,;-.5,-1.5,;.53,-2.64,;2.03,-2.32,;2.51,-.86,;1.48,.29,;-.03,-.03,;-2.81,-2.83,;-4.35,-2.83,;-5.12,-4.16,;-4.35,-5.5,;-2.81,-5.5,;-2.04,-4.16,;4.04,3.61,;5.12,4.7,;4.43,2.12,)|

CC(C)(Sc1nnc(Br)n1-c1sc(c2CCCCc12)-c1ccccc1)C(O)=O |(2.15,5.5,;2.55,4.01,;3.64,5.1,;1.46,2.92,;-.03,3.32,;-.5,4.78,;-2.04,4.78,;-2.52,3.32,;-3.85,2.55,;-1.27,2.41,;-1.27,.87,;-2.52,-.03,;-2.04,-1.5,;-.5,-1.5,;.53,-2.64,;2.03,-2.32,;2.51,-.86,;1.48,.29,;-.03,-.03,;-2.81,-2.83,;-4.35,-2.83,;-5.12,-4.16,;-4.35,-5.5,;-2.81,-5.5,;-2.04,-4.16,;4.04,3.61,;5.12,4.7,;4.43,2.12,)|

OC(=O)CSc1nnc(Br)n1-c1sc(c2CCCCc12)-c1ccc(F)cc1 |(5.12,5.72,;4.04,4.63,;4.43,3.15,;2.55,5.03,;1.46,3.94,;-.03,4.34,;-.5,5.81,;-2.04,5.81,;-2.52,4.34,;-3.85,3.57,;-1.27,3.44,;-1.27,1.9,;-2.52,.99,;-2.04,-.47,;-.5,-.47,;.53,-1.62,;2.03,-1.3,;2.51,.17,;1.48,1.31,;-.03,.99,;-2.81,-1.81,;-4.35,-1.81,;-5.12,-3.14,;-4.35,-4.47,;-5.12,-5.81,;-2.81,-4.47,;-2.04,-3.14,)|

OC(=O)CSc1nnc(Br)n1-c1sc(c2CCCCc12)-c1cccc(F)c1 |(5.89,5.06,;4.81,3.97,;5.2,2.48,;3.32,4.37,;2.23,3.28,;.74,3.68,;.27,5.14,;-1.27,5.14,;-1.75,3.68,;-3.08,2.91,;-.5,2.77,;-.5,1.23,;-1.75,.33,;-1.27,-1.14,;.27,-1.14,;1.3,-2.28,;2.8,-1.96,;3.28,-.5,;2.25,.65,;.74,.33,;-2.04,-2.47,;-1.27,-3.81,;-2.04,-5.14,;-3.58,-5.14,;-4.35,-3.81,;-5.89,-3.81,;-3.58,-2.47,)|

OC(=O)CSc1nnc(Br)n1-c1sc(c2CCCCc12)-c1ccc(F)c(F)c1 |(5.89,5.72,;4.81,4.63,;5.2,3.15,;3.32,5.03,;2.23,3.94,;.74,4.34,;.27,5.81,;-1.27,5.81,;-1.75,4.34,;-3.08,3.57,;-.5,3.44,;-.5,1.9,;-1.75,.99,;-1.27,-.47,;.27,-.47,;1.3,-1.62,;2.8,-1.3,;3.28,.17,;2.25,1.31,;.74,.99,;-2.04,-1.81,;-1.27,-3.14,;-2.04,-4.47,;-3.58,-4.47,;-4.35,-5.81,;-4.35,-3.14,;-5.89,-3.14,;-3.58,-1.81,)|

OC(=O)CSc1nnc(Br)n1-c1sc(c2CCCCc12)-c1cc(F)cc(F)c1 |(5.89,5.72,;4.81,4.63,;5.2,3.15,;3.32,5.03,;2.23,3.94,;.74,4.34,;.27,5.81,;-1.27,5.81,;-1.75,4.34,;-3.08,3.57,;-.5,3.44,;-.5,1.9,;-1.75,.99,;-1.27,-.47,;.27,-.47,;1.3,-1.62,;2.8,-1.3,;3.28,.17,;2.25,1.31,;.74,.99,;-2.04,-1.81,;-3.58,-1.81,;-4.35,-3.14,;-5.89,-3.14,;-3.58,-4.47,;-2.04,-4.47,;-1.27,-5.81,;-1.27,-3.14,)|

CC(C)(Sc1nnc(Br)n1-c1sc(c2CCCCc12)-c1ccc(cc1)C(F)(F)F)C(O)=O |(1.46,5.77,;2.55,4.68,;2.95,6.16,;1.46,3.59,;-.03,3.99,;-.5,5.45,;-2.04,5.45,;-2.52,3.99,;-3.85,3.22,;-1.27,3.08,;-1.27,1.54,;-2.52,.64,;-2.04,-.83,;-.5,-.83,;.53,-1.97,;2.03,-1.65,;2.51,-.19,;1.48,.96,;-.03,.64,;-2.81,-2.16,;-4.35,-2.16,;-5.12,-3.5,;-4.35,-4.83,;-2.81,-4.83,;-2.04,-3.5,;-5.12,-6.16,;-6.66,-6.16,;-4.35,-7.5,;-5.89,-7.5,;4.04,4.28,;5.12,5.37,;4.43,2.79,)|

CC(C)(Sc1nnc(Br)n1-c1sc(c2CCCCc12)-c1ccc(Cl)c(Cl)c1)C(O)=O |(1.46,5.77,;2.55,4.68,;2.95,6.16,;1.46,3.59,;-.03,3.99,;-.5,5.45,;-2.04,5.45,;-2.52,3.99,;-3.85,3.22,;-1.27,3.08,;-1.27,1.54,;-2.52,.64,;-2.04,-.83,;-.5,-.83,;.53,-1.97,;2.03,-1.65,;2.51,-.19,;1.48,.96,;-.03,.64,;-2.81,-2.16,;-4.35,-2.16,;-5.12,-3.5,;-4.35,-4.83,;-5.12,-6.16,;-2.81,-4.83,;-2.04,-6.16,;-2.04,-3.5,;4.04,4.28,;5.12,5.37,;4.43,2.79,)|

COc1ccc(cc1Br)-c1sc(c2CCCCc12)-n1c(Br)nnc1SC(C)C(O)=O |(-5.89,-6.16,;-4.35,-6.16,;-3.58,-4.83,;-4.35,-3.5,;-3.58,-2.16,;-2.04,-2.16,;-1.27,-3.5,;-2.04,-4.83,;-1.27,-6.16,;-1.27,-.83,;-1.75,.64,;-.5,1.54,;.74,.64,;2.25,.96,;3.28,-.19,;2.8,-1.65,;1.3,-1.97,;.27,-.83,;-.5,3.08,;-1.75,3.99,;-3.08,3.22,;-1.27,5.45,;.27,5.45,;.74,3.99,;2.23,3.59,;3.32,4.68,;2.92,6.16,;4.81,4.28,;5.89,5.37,;5.2,2.79,)|

CC(C)(Sc1nnc(Br)n1-c1sc(c2CCCCc12)-c1ccc(F)c(F)c1)C(O)=O |(2.23,5.77,;3.32,4.68,;3.72,6.16,;2.23,3.59,;.74,3.99,;.27,5.45,;-1.27,5.45,;-1.75,3.99,;-3.08,3.22,;-.5,3.08,;-.5,1.54,;-1.75,.64,;-1.27,-.83,;.27,-.83,;1.3,-1.97,;2.8,-1.65,;3.28,-.19,;2.25,.96,;.74,.64,;-2.04,-2.16,;-1.27,-3.5,;-2.04,-4.83,;-3.58,-4.83,;-4.35,-6.16,;-4.35,-3.5,;-5.89,-3.5,;-3.58,-2.16,;4.81,4.28,;5.89,5.37,;5.2,2.79,)|

CC(Sc1nnc(Br)n1-c1sc(c2CCCCc12)-c1ccc(cc1)C(F)(F)F)C(O)=O |(2.15,6.16,;2.55,4.68,;1.46,3.59,;-.03,3.99,;-.5,5.45,;-2.04,5.45,;-2.52,3.99,;-3.85,3.22,;-1.27,3.08,;-1.27,1.54,;-2.52,.64,;-2.04,-.83,;-.5,-.83,;.53,-1.97,;2.03,-1.65,;2.51,-.19,;1.48,.96,;-.03,.64,;-2.81,-2.16,;-4.35,-2.16,;-5.12,-3.5,;-4.35,-4.83,;-2.81,-4.83,;-2.04,-3.5,;-5.12,-6.16,;-6.66,-6.16,;-4.35,-7.5,;-5.89,-7.5,;4.04,4.28,;5.12,5.37,;4.43,2.79,)|

CC(Sc1nnc(Br)n1-c1sc(c2CCCCc12)-c1ccc(cc1)S(C)(=O)=O)C(O)=O |(2.92,6.55,;3.32,5.06,;2.23,3.97,;.74,4.37,;.27,5.84,;-1.27,5.84,;-1.75,4.37,;-3.08,3.6,;-.5,3.47,;-.5,1.93,;-1.75,1.02,;-1.27,-.44,;.27,-.44,;1.3,-1.59,;2.8,-1.27,;3.28,.2,;2.25,1.34,;.74,1.02,;-2.04,-1.78,;-3.58,-1.78,;-4.35,-3.11,;-3.61,-4.49,;-2.04,-4.45,;-1.27,-3.11,;-4.38,-5.83,;-5.15,-7.16,;-5.72,-5.06,;-3.05,-6.6,;4.81,4.66,;5.89,5.75,;5.2,3.18,)|

COc1ccc(cc1)-c1sc(c2CCCCc12)-n1c(Br)nnc1SC(C)C(O)=O |(-5.89,-6.16,;-4.35,-6.16,;-3.58,-4.83,;-4.35,-3.5,;-3.58,-2.16,;-2.04,-2.16,;-1.27,-3.5,;-2.04,-4.83,;-1.27,-.83,;-1.75,.64,;-.5,1.54,;.74,.64,;2.25,.96,;3.28,-.19,;2.8,-1.65,;1.3,-1.97,;.27,-.83,;-.5,3.08,;-1.75,3.99,;-3.08,3.22,;-1.27,5.45,;.27,5.45,;.74,3.99,;2.23,3.59,;3.32,4.68,;2.92,6.16,;4.81,4.28,;5.89,5.37,;5.2,2.79,)|

COc1ccc(cc1)-c1sc(c2CCCCc12)-n1c(Br)nnc1SCC(O)=O |(-5.89,-5.81,;-4.35,-5.81,;-3.58,-4.47,;-4.35,-3.14,;-3.58,-1.81,;-2.04,-1.81,;-1.27,-3.14,;-2.04,-4.47,;-1.27,-.47,;-1.75,.99,;-.5,1.9,;.74,.99,;2.25,1.31,;3.28,.17,;2.8,-1.3,;1.3,-1.62,;.27,-.47,;-.5,3.44,;-1.75,4.34,;-3.08,3.57,;-1.27,5.81,;.27,5.81,;.74,4.34,;2.23,3.94,;3.32,5.03,;4.81,4.63,;5.89,5.72,;5.2,3.15,)|

CC(Sc1nnc(Br)n1-c1sc(c2CCCCc12)-c1ccc(Cl)c(Cl)c1)C(O)=O |(2.15,6.16,;2.55,4.68,;1.46,3.59,;-.03,3.99,;-.5,5.45,;-2.04,5.45,;-2.52,3.99,;-3.85,3.22,;-1.27,3.08,;-1.27,1.54,;-2.52,.64,;-2.04,-.83,;-.5,-.83,;.53,-1.97,;2.03,-1.65,;2.51,-.19,;1.48,.96,;-.03,.64,;-2.81,-2.16,;-4.35,-2.16,;-5.12,-3.5,;-4.35,-4.83,;-5.12,-6.16,;-2.81,-4.83,;-2.04,-6.16,;-2.04,-3.5,;4.04,4.28,;5.12,5.37,;4.43,2.79,)|

OC(=O)CSc1nnc(Br)n1-c1sc(c2CCCCc12)-c1ccc(Cl)c(Cl)c1 |(5.12,5.72,;4.04,4.63,;4.43,3.15,;2.55,5.03,;1.46,3.94,;-.03,4.34,;-.5,5.81,;-2.04,5.81,;-2.52,4.34,;-3.85,3.57,;-1.27,3.44,;-1.27,1.9,;-2.52,.99,;-2.04,-.47,;-.5,-.47,;.53,-1.62,;2.03,-1.3,;2.51,.17,;1.48,1.31,;-.03,.99,;-2.81,-1.81,;-4.35,-1.81,;-5.12,-3.14,;-4.35,-4.47,;-5.12,-5.81,;-2.81,-4.47,;-2.04,-5.81,;-2.04,-3.14,)|

OC(=O)CSc1nncn1-c1sc(c2CCCCc12)-c1cccc(F)c1

OC(=O)CSc1nncn1-c1sc(c2CCCCc12)-c1ccc(F)c(F)c1

OC(=O)CSc1nncn1-c1sc(c2CCCCc12)-c1cc(F)cc(F)c1

CN(C)c1ccc(cc1Br)-c1sc(c2CCCCc12)-n1cnnc1SC(C)(C)C(O)=O

CNc1c(Br)cc(cc1Br)-c1sc(c2CCCCc12)-n1cnnc1SC(C)(C)C(O)=O

CC(C)(Sc1nnc(Br)n1-c1sc(c2CCCCc12)-c1ccncn1)C(O)=O |(1.46,5.1,;2.55,4.01,;2.95,5.5,;1.46,2.92,;-.03,3.32,;-.5,4.78,;-2.04,4.78,;-2.52,3.32,;-3.85,2.55,;-1.27,2.41,;-1.27,.87,;-2.52,-.03,;-2.04,-1.5,;-.5,-1.5,;.53,-2.64,;2.03,-2.32,;2.51,-.86,;1.48,.29,;-.03,-.03,;-2.81,-2.83,;-4.35,-2.83,;-5.12,-4.16,;-4.35,-5.5,;-2.81,-5.5,;-2.04,-4.16,;4.04,3.61,;5.12,4.7,;4.43,2.12,)|

CC(Sc1nnc(Br)n1-c1sc(C2CC2)c2CCCCc12)C(O)=O |(1.66,4.93,;2.06,3.45,;.97,2.36,;-.52,2.76,;-.99,4.22,;-2.53,4.22,;-3.01,2.76,;-4.34,1.99,;-1.76,1.85,;-1.76,.31,;-3.01,-.59,;-2.53,-2.06,;-3.3,-3.39,;-4.64,-4.16,;-3.3,-4.93,;-.99,-2.06,;.04,-3.2,;1.54,-2.88,;2.02,-1.42,;.99,-.27,;-.52,-.59,;3.55,3.05,;4.64,4.14,;3.95,1.56,)|

CC(C)(Sc1nnc(Br)n1-c1sc(C2CC2)c2CCCCc12)C(O)=O |(1.66,4.93,;2.06,3.45,;2.83,4.78,;.97,2.36,;-.52,2.76,;-.99,4.22,;-2.53,4.22,;-3.01,2.76,;-4.34,1.99,;-1.76,1.85,;-1.76,.31,;-3.01,-.59,;-2.53,-2.06,;-3.3,-3.39,;-4.64,-4.16,;-3.3,-4.93,;-.99,-2.06,;.04,-3.2,;1.54,-2.88,;2.02,-1.42,;.99,-.27,;-.52,-.59,;3.55,3.05,;4.64,4.14,;3.95,1.56,)|

CC(C)C(Sc1nnc(Br)n1-c1sc(C2CC2)c2CCCCc12)C(O)=O |(.17,4.79,;1.66,4.39,;2.75,5.48,;2.06,2.9,;.97,1.81,;-.52,2.21,;-.99,3.68,;-2.53,3.68,;-3.01,2.21,;-4.34,1.44,;-1.76,1.31,;-1.76,-.23,;-3.01,-1.14,;-2.53,-2.6,;-3.3,-3.94,;-4.64,-4.71,;-3.3,-5.48,;-.99,-2.6,;.04,-3.75,;1.54,-3.43,;2.02,-1.96,;.99,-.82,;-.52,-1.14,;3.55,2.5,;4.64,3.59,;3.95,1.02,)|

OC(=O)C1(CCC1)Sc1nnc(Br)n1-c1sc(C2CC2)c2CCCCc12 |(4.64,3.83,;3.55,2.74,;3.95,1.25,;2.06,3.14,;2.83,4.47,;1.5,5.24,;.73,3.91,;.97,2.05,;-.52,2.45,;-.99,3.91,;-2.53,3.91,;-3.01,2.45,;-4.34,1.68,;-1.76,1.54,;-1.76,0,;-3.01,-.9,;-2.53,-2.37,;-3.3,-3.7,;-4.64,-4.47,;-3.3,-5.24,;-.99,-2.37,;.04,-3.51,;1.54,-3.19,;2.02,-1.73,;.99,-.58,;-.52,-.9,)|

OC(=O)C1(CCCC1)Sc1nnc(Br)n1-c1sc(C2CC2)c2CCCCc12 |(4.64,3.63,;3.55,2.55,;3.95,1.06,;2.06,2.94,;.6,3.42,;.6,4.96,;2.06,5.44,;2.97,4.19,;.97,1.85,;-.52,2.25,;-.99,3.72,;-2.53,3.72,;-3.01,2.25,;-4.34,1.48,;-1.76,1.35,;-1.76,-.19,;-3.01,-1.1,;-2.53,-2.56,;-3.3,-3.9,;-4.64,-4.67,;-3.3,-5.44,;-.99,-2.56,;.04,-3.71,;1.54,-3.39,;2.02,-1.92,;.99,-.78,;-.52,-1.1,)|

C[C@@H](Sc1nnc(Br)n1-c1sc(C2CC2)c2CCCCc12)C(O)=O |r,wD:1.0,(1.66,4.93,;2.06,3.45,;.97,2.36,;-.52,2.76,;-.99,4.22,;-2.53,4.22,;-3.01,2.76,;-4.34,1.99,;-1.76,1.85,;-1.76,.31,;-3.01,-.59,;-2.53,-2.06,;-3.3,-3.39,;-4.64,-4.16,;-3.3,-4.93,;-.99,-2.06,;.04,-3.2,;1.54,-2.88,;2.02,-1.42,;.99,-.27,;-.52,-.59,;3.55,3.05,;4.64,4.14,;3.95,1.56,)|

C[C@H](Sc1nnc(Br)n1-c1sc(C2CC2)c2CCCCc12)C(O)=O |r,wU:1.0,(1.66,4.93,;2.06,3.45,;.97,2.36,;-.52,2.76,;-.99,4.22,;-2.53,4.22,;-3.01,2.76,;-4.34,1.99,;-1.76,1.85,;-1.76,.31,;-3.01,-.59,;-2.53,-2.06,;-3.3,-3.39,;-4.64,-4.16,;-3.3,-4.93,;-.99,-2.06,;.04,-3.2,;1.54,-2.88,;2.02,-1.42,;.99,-.27,;-.52,-.59,;3.55,3.05,;4.64,4.14,;3.95,1.56,)|

CC(C)(Sc1nnc(Br)n1-c1sc(C2CC2)c2CC(F)(F)CCc12)C(O)=O |(3.18,3.91,;3.95,2.58,;4.72,3.91,;2.62,1.81,;1.29,2.58,;1.29,4.12,;-.18,4.6,;-1.08,3.35,;-2.62,3.35,;-.18,2.1,;-.95,.77,;-.04,-.48,;-.95,-1.72,;-.18,-3.06,;-.18,-4.6,;1.15,-3.83,;-2.41,-1.25,;-3.75,-2.02,;-5.08,-1.25,;-6.62,-1.25,;-5.08,-2.79,;-5.08,.29,;-3.75,1.06,;-2.41,.29,;5.29,1.81,;6.62,2.58,;5.29,.27,)|

CC(C)(Sc1nnc(Br)n1-c1sc(C2CC2)c2CCC(C)(C)Cc12)C(O)=O |(3.18,3.91,;3.95,2.58,;4.72,3.91,;2.62,1.81,;1.29,2.58,;1.29,4.12,;-.18,4.6,;-1.08,3.35,;-2.62,3.35,;-.18,2.1,;-.95,.77,;-.04,-.48,;-.95,-1.72,;-.18,-3.06,;-.18,-4.6,;1.15,-3.83,;-2.41,-1.25,;-3.75,-2.02,;-5.08,-1.25,;-5.08,.29,;-6.62,.29,;-5.85,1.63,;-3.75,1.06,;-2.41,.29,;5.29,1.81,;6.62,2.58,;5.29,.27,)|

CC(C)(Sc1nnc(Br)n1-c1sc(C2CC2)c2CC(C)(C)CCc12)C(O)=O |(3.18,3.91,;3.95,2.58,;4.72,3.91,;2.62,1.81,;1.29,2.58,;1.29,4.12,;-.18,4.6,;-1.08,3.35,;-2.62,3.35,;-.18,2.1,;-.95,.77,;-.04,-.48,;-.95,-1.72,;-.18,-3.06,;-.18,-4.6,;1.16,-3.83,;-2.41,-1.25,;-3.75,-2.02,;-5.08,-1.25,;-6.62,-1.25,;-5.85,-2.58,;-5.08,.29,;-3.75,1.06,;-2.41,.29,;5.29,1.81,;6.62,2.58,;5.29,.27,)|

CC(Sc1nncn1-c1sc(C2CC2)c2CCCCc12)C(O)=O

OC(=O)CSc1nnc(Br)n1-c1sc(c2CCCc12)-c1ccccc1 |(4.83,5.06,;3.74,3.97,;4.14,2.48,;2.25,4.37,;1.16,3.28,;-.32,3.68,;-.8,5.14,;-2.34,5.14,;-2.81,3.68,;-4.15,2.91,;-1.57,2.77,;-1.57,1.23,;-.32,.33,;-.8,-1.14,;-2.34,-1.14,;-3.58,-2.04,;-4.83,-1.14,;-4.35,.33,;-2.81,.33,;-.03,-2.47,;-.8,-3.81,;-.03,-5.14,;1.51,-5.14,;2.28,-3.81,;1.51,-2.47,)|

OC(=O)CSc1nnc(Br)n1-c1sc(c2CCCc12)-c1ccc(F)cc1 |(4.83,5.72,;3.74,4.63,;4.14,3.15,;2.25,5.03,;1.16,3.94,;-.32,4.34,;-.8,5.81,;-2.34,5.81,;-2.81,4.34,;-4.15,3.57,;-1.57,3.44,;-1.57,1.9,;-.32,.99,;-.8,-.47,;-2.34,-.47,;-3.58,-1.38,;-4.83,-.47,;-4.35,.99,;-2.81,.99,;-.03,-1.81,;-.8,-3.14,;-.03,-4.47,;1.51,-4.47,;2.28,-5.81,;2.28,-3.14,;1.51,-1.81,)|

OC(=O)CSc1nnc(Br)n1-c1sc(c2CCCc12)-c1cccc(F)c1 |(4.83,5.06,;3.74,3.97,;4.14,2.48,;2.25,4.37,;1.16,3.28,;-.32,3.68,;-.8,5.14,;-2.34,5.14,;-2.81,3.68,;-4.15,2.91,;-1.57,2.77,;-1.57,1.23,;-.32,.33,;-.8,-1.14,;-2.34,-1.14,;-3.58,-2.04,;-4.83,-1.14,;-4.35,.33,;-2.81,.33,;-.03,-2.47,;-.8,-3.81,;-.03,-5.14,;1.51,-5.14,;2.28,-3.81,;3.82,-3.81,;1.51,-2.47,)|

OC(=O)CSc1nnc(Br)n1-c1sc(c2CCCc12)-c1ccc(Cl)cc1 |(4.83,5.72,;3.74,4.63,;4.14,3.15,;2.25,5.03,;1.16,3.94,;-.32,4.34,;-.8,5.81,;-2.34,5.81,;-2.81,4.34,;-4.15,3.57,;-1.57,3.44,;-1.57,1.9,;-.32,.99,;-.8,-.47,;-2.34,-.47,;-3.58,-1.38,;-4.83,-.47,;-4.35,.99,;-2.81,.99,;-.03,-1.81,;-.8,-3.14,;-.03,-4.47,;1.51,-4.47,;2.28,-5.81,;2.28,-3.14,;1.51,-1.81,)|

OC(=O)CSc1nnc(Br)n1-c1sc(c2CCCc12)-c1ccc(Cl)c(Cl)c1 |(4.83,5.72,;3.74,4.63,;4.14,3.15,;2.25,5.03,;1.16,3.94,;-.32,4.34,;-.8,5.81,;-2.34,5.81,;-2.81,4.34,;-4.15,3.57,;-1.57,3.44,;-1.57,1.9,;-.32,.99,;-.8,-.47,;-2.34,-.47,;-3.58,-1.38,;-4.83,-.47,;-4.35,.99,;-2.81,.99,;-.03,-1.81,;-.8,-3.14,;-.03,-4.47,;1.51,-4.47,;2.28,-5.81,;2.28,-3.14,;3.82,-3.14,;1.51,-1.81,)|

Cc1ccc(cc1)-c1sc(c2CCCc12)-n1c(Br)nnc1SCC(O)=O |(2.28,-5.81,;1.51,-4.47,;-.03,-4.47,;-.8,-3.14,;-.03,-1.81,;1.51,-1.81,;2.28,-3.14,;-.8,-.47,;-.32,.99,;-1.57,1.9,;-2.81,.99,;-4.35,.99,;-4.83,-.47,;-3.58,-1.38,;-2.34,-.47,;-1.57,3.44,;-2.81,4.34,;-4.15,3.57,;-2.34,5.81,;-.8,5.81,;-.32,4.34,;1.16,3.94,;2.25,5.03,;3.74,4.63,;4.83,5.72,;4.14,3.15,)|

COc1ccc(cc1)-c1sc(c2CCCc12)-n1c(Br)nnc1SCC(O)=O |(1.51,-6.47,;2.28,-5.14,;1.51,-3.81,;-.03,-3.81,;-.8,-2.47,;-.03,-1.14,;1.51,-1.14,;2.28,-2.47,;-.8,.19,;-.32,1.66,;-1.57,2.56,;-2.81,1.66,;-4.35,1.66,;-4.83,.19,;-3.58,-.71,;-2.34,.19,;-1.57,4.1,;-2.81,5.01,;-4.15,4.24,;-2.34,6.47,;-.8,6.47,;-.32,5.01,;1.16,4.61,;2.25,5.7,;3.74,5.3,;4.83,6.39,;4.14,3.81,)|

OC(=O)CSc1nnc(Br)n1-c1sc(c2CCCc12)-c1ccc(cc1)C(F)(F)F |(4.83,6.39,;3.74,5.3,;4.14,3.81,;2.25,5.7,;1.16,4.61,;-.32,5.01,;-.8,6.47,;-2.34,6.47,;-2.81,5.01,;-4.15,4.24,;-1.57,4.1,;-1.57,2.56,;-.32,1.66,;-.8,.19,;-2.34,.19,;-3.58,-.71,;-4.83,.19,;-4.35,1.66,;-2.81,1.66,;-.03,-1.14,;-.8,-2.47,;-.03,-3.81,;1.54,-3.85,;2.28,-2.47,;1.51,-1.14,;2.31,-5.19,;3.08,-6.52,;.98,-5.96,;3.64,-4.42,)|

OC(=O)CSc1nnc(Br)n1-c1sc(c2CCCc12)-c1cccc(Cl)c1 |(4.83,5.06,;3.74,3.97,;4.14,2.48,;2.25,4.37,;1.16,3.28,;-.32,3.68,;-.8,5.14,;-2.34,5.14,;-2.81,3.68,;-4.15,2.91,;-1.57,2.77,;-1.57,1.23,;-.32,.33,;-.8,-1.14,;-2.34,-1.14,;-3.58,-2.04,;-4.83,-1.14,;-4.35,.33,;-2.81,.33,;-.03,-2.47,;-.8,-3.81,;-.03,-5.14,;1.51,-5.14,;2.28,-3.81,;3.82,-3.81,;1.51,-2.47,)|

CC(C)(C)c1ccc(cc1)-c1sc(c2CCCc12)-n1c(Br)nnc1SCC(O)=O |(1.51,-6.47,;2.28,-5.14,;3.82,-5.14,;3.05,-6.47,;1.51,-3.81,;-.03,-3.81,;-.8,-2.47,;-.03,-1.14,;1.51,-1.14,;2.28,-2.47,;-.8,.19,;-.32,1.66,;-1.57,2.56,;-2.81,1.66,;-4.35,1.66,;-4.83,.19,;-3.58,-.71,;-2.34,.19,;-1.57,4.1,;-2.81,5.01,;-4.15,4.24,;-2.34,6.47,;-.8,6.47,;-.32,5.01,;1.16,4.61,;2.25,5.7,;3.74,5.3,;4.83,6.39,;4.14,3.81,)|

Cn1cc(cn1)-c1sc(c2CCCc12)-n1c(Br)nnc1SCC(O)=O |(.74,-5.76,;.74,-4.22,;-.5,-3.32,;-.03,-1.85,;1.51,-1.85,;1.99,-3.32,;-.8,-.52,;-.32,.95,;-1.57,1.85,;-2.81,.95,;-4.35,.95,;-4.83,-.52,;-3.58,-1.42,;-2.34,-.52,;-1.57,3.39,;-2.81,4.3,;-4.15,3.53,;-2.34,5.76,;-.8,5.76,;-.32,4.3,;1.16,3.9,;2.25,4.99,;3.74,4.59,;4.83,5.68,;4.14,3.1,)|

CC(C)(C)c1ccc(cc1)-c1sc(c2CCCc12)-n1cnnc1SCC(O)=O

COc1ccc(cc1)-c1sc(c2CCCc12)-n1cnnc1SCC(O)=O

Cc1ccc(cc1)-c1sc(c2CCCc12)-n1cnnc1SCC(O)=O

OC(=O)CSc1nncn1-c1sc(c2CCCc12)-c1ccc(cc1)C(F)(F)F

OC(=O)CSc1nncn1-c1sc(c2CCCc12)-c1cccc(Cl)c1

CN(C)c1ccc(cc1)-c1sc(c2CCCc12)-n1cnnc1SCC(O)=O

OC(=O)CSc1nncn1-c1sc(c2CCCc12)-c1ccc(Cl)cc1

OC(=O)CSc1nncn1-c1sc(c2CCCc12)-c1ccc(Cl)c(Cl)c1

Cn1cc(cn1)-c1sc(c2CCCc12)-n1cnnc1SCC(O)=O

CN(C)c1ccc(cc1Br)-c1sc(c2CCCc12)-n1cnnc1SCC(O)=O

OC(=O)CSc1nnc(Br)n1-c1sc(C2CC2)c2CCCc12 |(4.83,4.49,;3.74,3.4,;4.14,1.92,;2.25,3.8,;1.16,2.71,;-.32,3.11,;-.8,4.58,;-2.34,4.58,;-2.81,3.11,;-4.15,2.34,;-1.57,2.21,;-1.57,.67,;-.32,-.24,;-.8,-1.7,;-.03,-3.04,;-.03,-4.58,;1.31,-3.81,;-2.34,-1.7,;-3.58,-2.61,;-4.83,-1.7,;-4.35,-.24,;-2.81,-.24,)|

OC(=O)C1(CCC1)Sc1nnc(Br)n1-c1sc(C2CC2)c2CCCc12 |(5.7,2.5,;4.37,1.73,;4.37,.19,;3.03,2.5,;4.12,3.59,;3.03,4.68,;1.95,3.59,;1.7,1.73,;.37,2.5,;.37,4.04,;-1.1,4.51,;-2,3.27,;-3.54,3.27,;-1.1,2.02,;-1.87,.69,;-.96,-.56,;-1.87,-1.8,;-1.1,-3.14,;-1.1,-4.68,;.24,-3.91,;-3.33,-1.33,;-4.8,-1.8,;-5.7,-.56,;-4.8,.69,;-3.33,.21,)|

OC(=O)C1(CCCC1)Sc1nnc(Br)n1-c1sc(C2CC2)c2CCCc12 |(5.7,2.4,;4.37,1.63,;4.37,.09,;3.03,2.4,;4.28,3.31,;3.8,4.77,;2.26,4.77,;1.79,3.31,;1.7,1.63,;.37,2.4,;.37,3.94,;-1.1,4.42,;-2,3.17,;-3.54,3.17,;-1.1,1.93,;-1.87,.59,;-.96,-.65,;-1.87,-1.9,;-1.1,-3.23,;-1.1,-4.77,;.24,-4,;-3.33,-1.42,;-4.8,-1.9,;-5.7,-.65,;-4.8,.59,;-3.33,.12,)|

CC(Sc1nnc(Br)n1-c1sc(C2CC2)c2CCCc12)C(O)=O |(3.03,4.12,;3.03,2.58,;1.7,1.81,;.37,2.58,;.37,4.12,;-1.1,4.6,;-2,3.35,;-3.54,3.35,;-1.1,2.1,;-1.87,.77,;-.96,-.48,;-1.87,-1.72,;-1.1,-3.06,;-1.1,-4.6,;.24,-3.83,;-3.33,-1.25,;-4.8,-1.72,;-5.7,-.48,;-4.8,.77,;-3.33,.29,;4.37,1.81,;5.7,2.58,;4.37,.27,)|

CC(C)(Sc1nnc(Br)n1-c1sc(C2CC2)c2CCCc12)C(O)=O |(3.03,4.12,;3.03,2.58,;4.37,3.35,;1.7,1.81,;.37,2.58,;.37,4.12,;-1.1,4.6,;-2,3.35,;-3.54,3.35,;-1.1,2.1,;-1.87,.77,;-.96,-.48,;-1.87,-1.72,;-1.1,-3.06,;-1.1,-4.6,;.24,-3.83,;-3.33,-1.25,;-4.8,-1.72,;-5.7,-.48,;-4.8,.77,;-3.33,.29,;4.37,1.81,;5.7,2.58,;4.37,.27,)|

CCC(C)(Sc1nnc(Br)n1-c1sc(C2CC2)c2CCCc12)C(O)=O |(3.03,4.92,;2.26,3.59,;3.03,2.25,;3.8,3.59,;1.7,1.48,;.37,2.25,;.37,3.79,;-1.1,4.27,;-2,3.02,;-3.54,3.02,;-1.1,1.78,;-1.87,.44,;-.96,-.8,;-1.87,-2.05,;-1.1,-3.38,;-1.1,-4.92,;.24,-4.15,;-3.33,-1.57,;-4.8,-2.05,;-5.7,-.8,;-4.8,.44,;-3.33,-.03,;4.37,1.48,;5.7,2.25,;4.37,-.06,)|

OC(=O)C(Sc1nnc(Br)n1-c1sc(C2CC2)c2CCCc12)c1ccccc1 |(5.7,1.28,;4.37,.51,;4.37,-1.03,;3.03,1.28,;1.7,.51,;.37,1.28,;.37,2.82,;-1.1,3.29,;-2,2.05,;-3.54,2.05,;-1.1,.8,;-1.87,-.53,;-.96,-1.78,;-1.87,-3.02,;-1.1,-4.36,;-1.1,-5.9,;.24,-5.13,;-3.33,-2.55,;-4.8,-3.02,;-5.7,-1.78,;-4.8,-.53,;-3.33,-1.01,;3.03,2.82,;4.37,3.59,;4.37,5.13,;3.03,5.9,;1.7,5.13,;1.7,3.59,)|

CC(C)(Sc1nnc(Br)n1-c1sc(C2CC2)c2CC(C)(C)Cc12)C(O)=O |(2.93,3.91,;3.7,2.58,;4.47,3.91,;2.37,1.81,;1.03,2.58,;1.03,4.12,;-.43,4.6,;-1.34,3.35,;-2.88,3.35,;-.43,2.1,;-1.2,.77,;-.3,-.48,;-1.2,-1.72,;-.43,-3.06,;-.43,-4.6,;.9,-3.83,;-2.67,-1.25,;-4.13,-1.72,;-5.04,-.48,;-6.37,.29,;-6.37,-1.25,;-4.13,.77,;-2.67,.29,;5.04,1.81,;6.37,2.58,;5.04,.27,)|

CC1(C)Cc2c(C1)c(sc2C1CC1)-n1c(Br)nnc1SC1(CCC1)C(O)=O |(-5.15,-1.49,;-3.82,-2.26,;-5.15,-3.03,;-2.57,-3.16,;-1.33,-2.26,;-1.8,-.79,;-3.34,-.79,;-.56,.11,;.69,-.79,;.21,-2.26,;.98,-3.59,;.98,-5.13,;2.32,-4.36,;-.56,1.65,;-1.8,2.56,;-3.14,1.79,;-1.33,4.02,;.21,4.02,;.69,2.56,;2.18,2.16,;3.27,3.25,;4.75,3.65,;4.35,5.13,;2.87,4.73,;3.66,1.76,;5.15,1.36,;2.58,.67,)|

CC(C)(Sc1nnc(Br)n1-c1cc(Cl)c(s1)C1CC1)C(O)=O

OC(=O)C1(CCC1)Sc1nnc(Br)n1-c1cc(Cl)c(s1)C1CC1

OC(=O)C1(CCCC1)Sc1nnc(Br)n1-c1cc(Cl)c(s1)C1CC1

CC(Sc1nnc(Br)n1-c1cc(Cl)c(s1)C1CC1)C(O)=O

COc1ccc(cc1)-c1sc(cc1Cl)-n1c(Br)nnc1SC(C)(C)C(O)=O

CCOC(=O)CSc1nncn1-c1cc(Br)c(s1)C1CC1

COC(=O)CSc1nncn1-c1cc(Br)c(s1)-c1ccccc1

CCOC(=O)C(C)Sc1nncn1-c1cc(Br)c(s1)C1CC1

COC(=O)C(C)Sc1nncn1-c1cc(Br)c(s1)-c1ccccc1

CCOC(=O)C(C)(C)Sc1nncn1-c1cc(Br)c(s1)C1CC1

COC(=O)C(C)(C)Sc1nncn1-c1cc(Br)c(s1)-c1ccccc1

Cc1cc(sc1C1CC1)-n1c(Br)nnc1SCC(O)=O

Cc1cc(sc1-c1ccccc1)-n1c(Br)nnc1SCC(O)=O

CC(Sc1nnc(Br)n1-c1cc(C)c(s1)-c1ccccc1)C(O)=O

Cc1cc(sc1-c1ccccc1)-n1c(Br)nnc1SC(C)(C)C(O)=O

Cc1cc(sc1-c1ccc(F)cc1)-n1c(Br)nnc1SCC(O)=O

COc1ccc(cc1)-c1sc(cc1C)-n1c(Br)nnc1SCC(O)=O

Cc1cc(sc1-c1ccc(cc1)C(F)(F)F)-n1c(Br)nnc1SCC(O)=O

Cc1cc(sc1-c1ccc(cc1)C(C)(C)C)-n1c(Br)nnc1SCC(O)=O

CC(Sc1nnc(Br)n1-c1cc(C)c(s1)-c1ccc(Cl)cc1)C(O)=O

CC(Sc1nnc(Br)n1-c1cc(C)c(s1)-c1cccc(F)c1)C(O)=O

CC(C)C(Sc1nnc(Br)n1-c1cc(C)c(s1)C1CC1)C(O)=O

Cc1cc(sc1C1CC1)-n1c(Br)nnc1SC(C)(C)C(O)=O

Cc1cc(sc1C1CC1)-n1c(Br)nnc1SC(C(O)=O)c1ccccc1

CCC(Sc1nnc(Br)n1-c1cc(C)c(s1)C1CC1)C(O)=O

Cc1cc(sc1C1CC1)-n1c(Br)nnc1SC1(CCCC1)C(O)=O

Cc1cc(sc1C1CC1)-n1c(Br)nnc1SC1(CCC1)C(O)=O

CC(Sc1nnc(Br)n1-c1cc(C)c(s1)C1CC1)C(O)=O

Cc1cc(sc1-c1ccc(F)cc1)-n1cnnc1SCC(O)=O

COc1ccc(cc1)-c1sc(cc1C)-n1cnnc1SCC(O)=O

Cc1cc(sc1-c1ccc(cc1)C(F)(F)F)-n1cnnc1SCC(O)=O

Cc1cc(sc1-c1ccc(cc1)C(C)(C)C)-n1cnnc1SCC(O)=O

OC(=O)CSc1nnc(Br)n1-c1sc(c2OCCOc12)-c1ccccc1 |(5.12,5.06,;4.04,3.97,;4.43,2.48,;2.55,4.37,;1.46,3.28,;-.03,3.68,;-.5,5.14,;-2.04,5.14,;-2.52,3.68,;-3.85,2.91,;-1.27,2.77,;-1.27,1.23,;-2.52,.33,;-2.04,-1.14,;-.5,-1.14,;.53,-2.28,;2.03,-1.96,;2.51,-.5,;1.48,.65,;-.03,.33,;-2.81,-2.47,;-4.35,-2.47,;-5.12,-3.81,;-4.35,-5.14,;-2.81,-5.14,;-2.04,-3.81,)|

CCOC(=O)C(C)(C)Sc1nnc(Br)n1-c1sc(C(=O)Nc2ccc(F)c(F)c2)c2CCCCc12 |(7.18,5.41,;5.85,4.64,;4.52,5.41,;3.18,4.64,;3.18,3.1,;1.85,5.41,;1.85,6.95,;3.18,6.18,;.52,4.64,;-.82,5.41,;-.82,6.95,;-2.28,7.42,;-3.19,6.18,;-4.73,6.18,;-2.28,4.93,;-3.05,3.6,;-2.15,2.35,;-3.05,1.1,;-2.65,-.38,;-1.17,-.78,;-3.74,-1.47,;-3.34,-2.96,;-4.43,-4.05,;-4.03,-5.54,;-2.55,-5.93,;-2.15,-7.42,;-1.46,-4.85,;.03,-5.24,;-1.86,-3.36,;-4.52,1.58,;-5.85,.81,;-7.18,1.58,;-7.18,3.12,;-5.85,3.89,;-4.52,3.12,)|

CC(C)c1nnc(SCC(O)=O)n1-c1sc(C2CC2)c2CCCc12 |(-5.11,3.8,;-4.02,2.71,;-4.42,1.23,;-2.53,3.11,;-2.06,4.58,;-.52,4.58,;-.04,3.11,;1.45,2.71,;2.53,3.8,;4.02,3.4,;5.11,4.49,;4.42,1.92,;-1.29,2.21,;-1.29,.67,;-.04,-.24,;-.52,-1.7,;.25,-3.04,;.25,-4.58,;1.59,-3.81,;-2.06,-1.7,;-3.3,-2.61,;-4.55,-1.7,;-4.07,-.24,;-2.53,-.24,)|

CC(C)(Sc1nnc(Br)n1-c1sc(C2CC2)c2CCCc12)C(=O)NO |(1.6,3.91,;2.37,2.58,;3.14,3.91,;1.03,1.81,;-.3,2.58,;-.3,4.12,;-1.76,4.6,;-2.67,3.35,;-4.21,3.35,;-1.76,2.1,;-2.53,.77,;-1.63,-.48,;-2.53,-1.72,;-1.76,-3.06,;-1.76,-4.6,;-.43,-3.83,;-4,-1.25,;-5.46,-1.72,;-6.37,-.48,;-5.46,.77,;-4,.29,;3.7,1.81,;3.7,.27,;5.03,2.58,;6.37,1.81,)|

CCOC(=O)C(C)(C)Sc1nncn1-c1sc(C(=O)NC(O)CCBr)c2CCCCc12

OC(=O)C1(CCC1)Sc1ccncc1-c1ccc(C#N)c2cccn12

CC(C)(Sc1ccncc1-c1ccc(C#N)c2cccn12)C(O)=O

CC(C)(Sc1ccncc1-c1ccc(C#N)c2ccc(Cl)n12)C(O)=O

CC(C)(Sc1ccncc1-c1ccc(C#N)c2c(Cl)ccn12)C(O)=O

Cc1cc2c(ccc(-c3cnccc3SC3(CCC3)C(O)=O)n2c1)C#N

OC(=O)C1(CCC1)Sc1ccncc1-c1ccc(C#N)c2cc(cn12)C(F)(F)F

OC(=O)C1(CCC1)Sc1ccncc1-c1ccc(C#N)n2cccc12

OC(=O)C1(CCC1)Sc1ccncc1-c1ccc(C#N)n2c(Cl)ccc12

OC(=O)C1(CCC1)Sc1ccncc1-c1ccc(C#N)n2cc(Cl)cc12

OC(=O)C1(CCC1)Sc1ccncc1-c1ccc(C#N)n2cc(F)cc12

OC(=O)C1(CCC1)Sc1ccncc1-c1ccc(C#N)c2cc(Cl)cn12

CC(C)(Sc1ccncc1-c1ccc(C#N)c2cc(Cl)cn12)C(O)=O

OC(=O)C1(CCC1)Sc1ccncc1-c1ccc(C#N)c2cc(Br)cn12

OC(=O)C1(CCC1)Sc1ccncc1-c1ccc(C#N)c2cc(cn12)C#N

CS(=O)(=O)c1cc2c(ccc(-c3cnccc3SC3(CCC3)C(O)=O)n2c1)C#N

OC(=O)C1(CCC1)Sc1ccncc1-c1ccc(C#N)c2ccc(F)n12

OC(=O)C1(CCC1)Sc1ccncc1-c1ccc(C#N)c2c(F)ccn12

OC(=O)C1(CCC1)Sc1ccncc1-c1ccc(C#N)c2ccc(Cl)n12

COCC(C)(Sc1ccncc1-c1ccc(C#N)c2cccn12)C(O)=O

CC(C)Sc1nc(O)c(C(=O)Nc2ccc(cc2)-c2c[nH]nn2)c(=O)[nH]1

CSc1nc(O)c(C(=O)Nc2ccc(cn2)-c2c[nH]nn2)c(=O)[nH]1

CSc1nc(O)c(C(=O)Nc2ccc(nc2)-c2c[nH]nn2)c(=O)[nH]1

CSc1nc(O)c(C(=O)Nc2ccc(cc2)-c2nnc[nH]2)c(=O)[nH]1

CCSc1nc(O)c(C(=O)Nc2ccc(cc2)-c2c[nH]nn2)c(=O)[nH]1

CCSc1nc(O)c(C(=O)Nc2ccc(cc2)-c2nn[nH]n2)c(=O)[nH]1

CC(C)CSc1nc(O)c(C(=O)Nc2ccc(cc2)-c2c[nH]nn2)c(=O)[nH]1

CSc1nc(O)c(C(=O)Nc2ccc(-c3c[nH]nn3)c(F)c2)c(=O)[nH]1

CSc1nc(O)c(C(=O)Nc2ccc(cc2F)-c2c[nH]nn2)c(=O)[nH]1

CSc1nc(O)c(C(=O)Nc2c(F)cc(cc2F)-c2c[nH]nn2)c(=O)[nH]1

CC(C)Sc1nc(O)c(C(=O)Nc2ccc(cc2F)-c2c[nH]nn2)c(=O)[nH]1

CC(C)Sc1nc(O)c(C(=O)Nc2ccc(-c3c[nH]nn3)c(F)c2)c(=O)[nH]1

CC(C)Sc1nc(O)c(C(=O)Nc2c(F)cc(cc2F)-c2c[nH]nn2)c(=O)[nH]1

CSc1nc(O)c(C(=O)Nc2ccc(-c3c[nH]nn3)c(F)c2F)c(=O)[nH]1

CN(C)CCSc1nc(O)c(C(=O)Nc2ccc(cc2F)-c2c[nH]nn2)c(=O)[nH]1

CSc1nc(O)c(C(=O)Nc2ccc(cc2OC(F)(F)F)-c2c[nH]nn2)c(=O)[nH]1

CSc1nc(O)c(C(=O)Nc2ccc(cc2OC(F)F)-c2c[nH]nn2)c(=O)[nH]1

CSc1nc(O)c(C(=O)Nc2ccc(cc2C#N)-c2c[nH]nn2)c(=O)[nH]1

CC(C)Sc1nc(O)c(C(=O)Nc2ccc(cc2C(F)(F)F)-c2c[nH]nn2)c(=O)[nH]1

CSc1nc(O)c(C(=O)Nc2ncc(cc2C(F)(F)F)-c2c[nH]nn2)c(=O)[nH]1

CSc1nc(O)c(C(=O)Nc2ccc3nc(ccc3c2)-c2c[nH]nn2)c(=O)[nH]1

Cc1ccc2nccc(SC(C)(C)C(=O)NS(C)(=O)=O)c2c1

CC(C)(Sc1ccnc2ccc(F)cc12)C(=O)NS(C)(=O)=O

CCS(=O)(=O)NC(=O)C(C)(C)Sc1ccnc2ccc(Br)cc12

CC(C)(Sc1ccnc2ccc(cc12)C(F)(F)F)C(=O)NS(C)(=O)=O

CC(C)(Sc1ccnc2ccc(Br)cc12)C(=O)NS(=O)(=O)c1cccs1

OC(=O)C1(CCC1)Sc1ccnc2ccc(NC(=O)C3CC3)cc12

CC(=O)Nc1ccc2nccc(SC3(CCC3)C(O)=O)c2c1

CNC(=O)COc1ccc2nccc(SC3(CCC3)C(O)=O)c2c1

OCCOc1ccc2nccc(SC3(CCC3)C(O)=O)c2c1

OCc1ccc2nccc(SC3(CCC3)C(O)=O)c2c1

OC(=O)C1(CCC1)Sc1ccnc2ccc(CCC#N)cc12

OC(=O)C1(CCC1)Sc1ccnc2ccc(O)cc12

Nc1ccc2nccc(SC3(CCC3)C(O)=O)c2c1

OC(=O)C1(CCC1)Sc1cccc2OCC(=O)Nc12

OC(=O)C1(CCC1)Sc1nccc2ncccc12

OC(=O)C1(CCC1)Sc1ccnc2ccncc12

OC(=O)C1(CCC1)Sc1ccnc2cccnc12

OC(=O)C1(CCC1)Sc1ncnc2ccccc12

OC(=O)C1(CCC1)Oc1ncnc2ccccc12

OC(=O)C1(CCC1)Sc1ccnc2ccc(cc12)-c1ccccc1F

OC(=O)C1(CCC1)Sc1ccnc2ccc(cc12)-c1ccc(cc1)C(F)(F)F

CCc1oc2ccc(O)cc2c1C(=O)c1ccc(O)cc1

CCc1oc2ccc(OC)cc2c1C(=O)c1ccc(O)cc1

CCc1oc2ccccc2c1C(=O)c1ccc(O)cc1

CCc1c(c2ccc(cc2o1)O)C(=O)c3cc(c(c(c3)Br)O)Br

CCc1cc2c(C(=O)c3ccc(O)cc3)c(OC)ccc2o1

CCc1cc2cc(OC)cc(C(=O)c3ccc(O)cc3)c2o1

CCc1oc2cc(OC)ccc2c1C(=O)c1ccc(O)cc1

CCc1oc2cc(O)ccc2c1C(=O)c1ccc(O)cc1

CCc1cc2c(cc(OC)cc2o1)C(=O)c1ccc(O)cc1

CCc1cc2c(ccc(O)c2o1)C(=O)c1ccc(O)cc1

CCc1oc2ccc(OC)cc2c1C(=O)c1cc(Br)c(O)c(Br)c1

CCc1oc2ccc(O)cc2c1C(=O)c1cc(Br)c(O)c(Br)c1

CCc1cc2c(C(=O)c3cc(Br)c(O)c(Br)c3)c(OC)ccc2o1

CCc1cc2c(C(=O)c3cc(Br)c(O)c(Br)c3)c(O)ccc2o1

CCc1cc2cc(OC)cc(C(=O)c3cc(Br)c(O)c(Br)c3)c2o1

CCc1cc2cc(O)cc(C(=O)c3cc(Br)c(O)c(Br)c3)c2o1

CCc1oc2cc(OC)ccc2c1C(=O)c1cc(Br)c(O)c(Br)c1

CCc1oc2cc(O)c(Br)cc2c1C(=O)c1cc(Br)c(O)c(Br)c1

CCc1cc2c(cc(Br)c(O)c2o1)C(=O)c1cc(Br)c(O)c(Br)c1

CCc1oc2cc(Br)c(O)c(Br)c2c1C(=O)c1ccc(OC)cc1

CCc1oc2c(Br)c(O)c(Br)cc2c1C(=O)c1ccc(OC)cc1

CCc1cc2c(cc(Br)c(O)c2o1)C(=O)c1ccc(OC)cc1

Cc1ccc(CC(O)=O)cc1OCc1c(C)cccc1C

OC(=O)C1(CCC1)Sc1ccccc1-c1ccc(cc1)C#N

FC(F)(F)S(=O)(=O)Nc1ccnc2ccc(Br)cc12

Fc1ccc(cc1)S(=O)(=O)Nc1ccncc1-c1ccc(cc1)C#N

O=S(=O)(Nc1ccncc1-c1ccc(cc1)C#N)c1ccccc1

FC(F)(F)S(=O)(=O)Nc1ccncc1-c1ccc(cc1)C#N

COc1ccccc1-c1cnccc1NS(=O)(=O)C(F)(F)F

CS(=O)(=O)Nc1ccncc1-c1ccc(cc1)C#N

CS(=O)(=O)Nc1ccncc1-c1ccc(cc1)C(F)(F)F

COc1cccc(c1)-c1cnccc1NS(C)(=O)=O

CS(=O)(=O)Nc1ccncc1-c1ccccc1C(F)(F)F

O=S(=O)(Nc1ccncc1-c1ccc(C#N)c2ccccc12)c1ccc(cc1)C#N

Fc1ccc(cc1)S(=O)(=O)Nc1ccncc1-c1ccc(C#N)c2ccccc12

O=S(=O)(Nc1ccncc1-c1ccc(C#N)c2ccccc12)c1ccccc1

CCCS(=O)(=O)Nc1ccncc1-c1ccc(C#N)c2ccccc12

CCS(=O)(=O)Nc1ccncc1-c1ccc(C#N)c2ccccc12

FC(F)(F)S(=O)(=O)Nc1ccncc1-c1ccc(C#N)c2ccccc12

COc1ccc(cc1)-c1cnccc1NS(=O)(=O)C(F)(F)F

CS(=O)(=O)Nc1ccncc1-c1cccc(F)c1

COc1ccccc1-c1cnccc1NS(C)(=O)=O

CC(C)CS(=O)(=O)Nc1ccncc1-c1ccc(C#N)c2ccccc12

CS(=O)(=O)Nc1ccncc1-c1ccc(C#N)c2ccccc12

CS(=O)(=O)Nc1ccnc2ccc(Br)cc12

c1cc(c(cc1O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O

Oc1c(CCS(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1-c1ccccc1

Brc1nnc(SCS(=O)(=O)Nc2ccc(Br)nc2)n1Cc1ccc(Br)c2ccccc12

FC(F)(F)c1ccc(NS(=O)(=O)CSc2nnc(Br)n2Cc2ccc(Br)c3ccccc23)cn1

Brc1nnc(SCS(=O)(=O)Nc2cnccc2I)n1Cc1ccc(Br)c2ccccc12

Brc1nnc(SCS(=O)(=O)Nc2ccc(Br)nc2Br)n1Cc1ccc(Br)c2ccccc12

Clc1ccc(NS(=O)(=O)CSc2nnc(Br)n2Cc2ccc(Br)c3ccccc23)c(Cl)n1

Clc1cnc(Cl)c(NS(=O)(=O)CSc2nnc(Br)n2Cc2ccc(Br)c3ccccc23)c1

Clc1ccc(NS(=O)(=O)CSc2nnc(Br)n2Cc2ccc(Br)c3ccccc23)cn1

Brc1nnc(SCS(=O)(=O)Nc2cccnc2)n1Cc1ccc(Br)c2ccccc12

Brc1nnc(SCS(=O)(=O)Nc2ccccc2)n1Cc1ccc(Br)c2ccccc12

[O-]S(=O)(=O)CSc1nnc(Br)n1Cc1ccc(Br)c2ccccc12

Brc1nnc(SCc2nnn[n-]2)n1Cc1ccc(Br)c2ccccc12

Oc1c(Br)cc(CSc2nnc(Br)n2Cc2ccc(Br)c3ccccc23)cc1Br

Fc1ccc(NS(=O)(=O)CSc2nnc(Br)n2Cc2ccc(Br)c3ccccc23)cn1

NS(=O)(=O)CSc1nnc(Br)n1Cc1ccc(Br)c2ccccc12

Brc1nnc(SCS(=O)(=O)Nc2cccnc2Br)n1Cc1ccc(Br)c2ccccc12

[O-]C(=O)CSc1nnc(Br)n1Cc1ccc(Br)c2ccccc12

Clc1ncccc1NS(=O)(=O)CSc1nnc(Br)n1Cc1ccc(Br)c2ccccc12

FC(F)(F)c1cncc(NS(=O)(=O)CSc2nnc(Br)n2Cc2ccc(Br)c3ccccc23)c1

ONC(=O)CSc1nnc(Br)n1Cc1ccc(Br)c2ccccc12

COc1ncccc1NS(=O)(=O)CSc1nnc(Br)n1Cc1ccc(Br)c2ccccc12

CC(=O)NCCOC(=O)[C@H](Oc1cccc(c1)C(F)(F)F)c1ccc(Cl)cc1 |r|

Oc1c(Br)cc(cc1Br)C(=O)N1CCOc2ccncc12

CC(Sc1nc2cccnc2n1-c1ccc(C2CC2)c2ccccc12)C(O)=O |(40.96,-19,;41.74,-20.33,;40.97,-21.67,;39.44,-21.67,;38.96,-20.21,;37.43,-20.22,;36.4,-19.08,;34.9,-19.4,;34.43,-20.87,;35.46,-22,;36.95,-21.68,;38.2,-22.58,;38.21,-24.12,;36.88,-24.89,;36.88,-26.43,;38.21,-27.2,;38.22,-28.74,;37.45,-30.08,;38.99,-30.08,;39.55,-26.43,;40.88,-27.19,;42.22,-26.42,;42.21,-24.87,;40.87,-24.11,;39.54,-24.88,;43.28,-20.33,;44.04,-18.99,;44.05,-21.66,)|

CC(Sc1nc2ncccc2n1-c1ccc(C2CC2)c2ccccc12)C(O)=O |(46.93,-23.14,;47.7,-24.46,;46.93,-25.8,;45.4,-25.81,;44.92,-24.34,;43.38,-24.36,;42.36,-23.21,;40.85,-23.53,;40.39,-25,;41.41,-26.13,;42.9,-25.81,;44.15,-26.71,;44.16,-28.25,;42.83,-29.02,;42.83,-30.57,;44.17,-31.33,;44.18,-32.87,;43.41,-34.21,;44.95,-34.21,;45.5,-30.56,;46.84,-31.32,;48.17,-30.55,;48.16,-29,;46.83,-28.24,;45.5,-29.01,;49.24,-24.46,;50,-23.12,;50.01,-25.79,)|

CC(Sc1nc2cnccc2n1-c1ccc(C2CC2)c2ccccc12)C(O)=O |(46.93,-23.14,;47.7,-24.47,;46.93,-25.8,;45.4,-25.81,;44.92,-24.35,;43.39,-24.36,;42.36,-23.22,;40.86,-23.53,;40.39,-25,;41.41,-26.14,;42.91,-25.82,;44.16,-26.71,;44.17,-28.25,;42.84,-29.02,;42.83,-30.57,;44.17,-31.34,;44.18,-32.88,;43.42,-34.21,;44.96,-34.21,;45.5,-30.56,;46.84,-31.32,;48.18,-30.55,;48.17,-29,;46.83,-28.24,;45.5,-29.02,;49.24,-24.46,;50,-23.12,;50.01,-25.79,)|

Brc1nnc(SCC(=O)NS(=O)(=O)c2ccc(Br)cc2)n1-c1ccc(C2CC2)c2ccccc12 |(37.92,-23.83,;39.38,-23.35,;39.87,-21.89,;41.4,-21.88,;41.88,-23.35,;43.41,-23.34,;44.18,-22,;45.72,-22,;46.49,-23.33,;46.48,-20.66,;48.02,-20.65,;49.34,-21.42,;48.02,-22.18,;48.78,-19.33,;50.32,-19.33,;51.08,-18,;50.31,-16.67,;51.06,-15.34,;48.77,-16.68,;48.02,-18.01,;40.63,-24.25,;40.64,-25.79,;39.31,-26.56,;39.31,-28.1,;40.64,-28.88,;40.65,-30.42,;39.9,-31.75,;41.44,-31.74,;41.99,-28.1,;43.32,-28.86,;44.66,-28.09,;44.65,-26.54,;43.31,-25.78,;41.98,-26.55,)|

Fc1ccc(c(F)c1)S(=O)(=O)NC(=O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12 |(67.36,-14.23,;66.6,-15.57,;67.38,-16.89,;66.61,-18.22,;65.08,-18.22,;64.31,-16.91,;62.78,-16.92,;65.06,-15.58,;64.32,-19.54,;65.64,-20.31,;64.32,-21.07,;62.78,-19.55,;62.02,-20.89,;62.79,-22.22,;60.48,-20.9,;59.71,-22.23,;58.18,-22.24,;57.7,-20.77,;56.16,-20.79,;55.68,-22.25,;54.22,-22.72,;56.93,-23.15,;56.94,-24.68,;55.61,-25.45,;55.61,-27,;56.94,-27.77,;56.95,-29.31,;56.2,-30.64,;57.74,-30.63,;58.28,-26.99,;59.62,-27.76,;60.95,-26.98,;60.95,-25.43,;59.61,-24.67,;58.28,-25.45,)|

Cc1c(C)c2ccccc2n1C(=O)c1ccc(O)c(c1)C#N

Oc1ccc(cc1C#N)C(=O)N1CCc2ccccc12

COc1cc(cc(C#N)c1O)C(=O)N1CCc2ccccc12

Oc1c(I)cc(cc1C#N)C(=O)N1CCc2ccccc12

Oc1c(cc(cc1C#N)C(=O)N1CCc2ccccc12)C#N

CSc1cc(cc(C#N)c1O)C(=O)N1CCc2ccccc12

CC(C)(C)c1cc(cc(C#N)c1O)C(=O)N1CCc2ccccc12

Oc1c(cc(cc1C1CC1)C(=O)N1CCc2ccccc12)C#N

Oc1c(Cl)cc(cc1C#N)C(=O)N1CCc2ccccc12

Oc1c(cc(cc1C(F)(F)F)C(=O)N1CCc2ccccc12)C#N

Oc1c(cc(cc1C1CC1)C(=O)N1CS(=O)(=O)c2ccccc12)C#N

Oc1c(cc(cc1C(F)(F)F)C(=O)N1CS(=O)(=O)c2ccccc12)C#N

Oc1c(cc(cc1C(F)(F)F)C(=O)N1CSc2ccccc12)C#N

Oc1c(Cl)cc(cc1C#N)C(=O)N1CS(=O)(=O)c2ccccc12

c1ccc2c(c1)N(CS2(=O)=O)C(=O)c3cc(c(c(c3)Cl)O)Cl

CC(C)c1cc(cc(C#N)c1O)C(=O)N1CS(=O)(=O)c2ccccc12

CCc1cc(cc(C#N)c1O)C(=O)N1CS(=O)(=O)c2ccccc12

Oc1c(cc(cc1C#N)C(=O)N1CS(=O)(=O)c2ccccc12)C#C

CSc1cc(cc(C#N)c1O)C(=O)N1CS(=O)(=O)c2ccccc12

Oc1c(Cl)cc(cc1C(F)(F)F)C(=O)N1CS(=O)(=O)c2ccccc12

Oc1c(F)cc(cc1Cl)C(=O)N1CS(=O)(=O)c2ccccc12

CSc1cc(cc(Cl)c1O)C(=O)N1CS(=O)(=O)c2ccccc12

COc1cc(cc(c1O)C(F)(F)F)C(=O)N1CS(=O)(=O)c2ccccc12

COc1cc(cc(Cl)c1O)C(=O)N1CS(=O)(=O)c2ccccc12

CN(c1cnccc1SCCCCCCC([O-])=O)c1ccc(C#N)c2ccccc12

CN(c1cnccc1SCCCCCC([O-])=O)c1ccc(C#N)c2ccccc12

CN(c1cnccc1SCCCCC([O-])=O)c1ccc(C#N)c2ccccc12

CN(c1cnccc1SCCCC([O-])=O)c1ccc(C#N)c2ccccc12

CN(c1cnccc1SC(C)(C)C([O-])=O)c1ccc(C#N)c2ccccc12

CN(c1cnccc1SCc1cccc(c1)C([O-])=O)c1ccc(C#N)c2ccccc12

CN(c1cnccc1SCc1ccccc1C([O-])=O)c1ccc(C#N)c2ccccc12

CN(c1cnccc1SCc1ccc(cc1)C([O-])=O)c1ccc(C#N)c2ccccc12

COc1cc(ccc1CSc1ccncc1N(C)c1ccc(C#N)c2ccccc12)C([O-])=O

CN(c1cnccc1SCc1ccc(cc1)-c1ccccc1C([O-])=O)c1ccc(C#N)c2ccccc12

[O-]C(=O)CCCCCCSc1ccncc1Nc1ccc(C#N)c2ccccc12

[O-]C(=O)CCCCCSc1ccncc1Nc1ccc(C#N)c2ccccc12

[O-]C(=O)CCCCSc1ccncc1Nc1ccc(C#N)c2ccccc12

[O-]C(=O)CCCSc1ccncc1Nc1ccc(C#N)c2ccccc12

[O-]C(=O)c1cccc(CSc2ccncc2Nc2ccc(C#N)c3ccccc23)c1

[O-]C(=O)c1ccccc1CSc1ccncc1Nc1ccc(C#N)c2ccccc12

[O-]C(=O)c1ccc(CSc2ccncc2Nc2ccc(C#N)c3ccccc23)cc1

COc1cc(ccc1CSc1ccncc1Nc1ccc(C#N)c2ccccc12)C([O-])=O

[O-]C(=O)c1ccccc1-c1ccc(CSc2ccncc2Nc2ccc(C#N)c3ccccc23)cc1

[O-]C(=O)Cc1c(Sc2ccncc2Nc2ccc(C#N)c3ccccc23)cccc1[N+]([O-])=O

[O-]C(=O)Cc1cc(Br)ccc1Sc1ccncc1Nc1ccc(C#N)c2ccccc12

COc1ccc(Sc2ccncc2Nc2ccc(C#N)c3ccccc23)c(CC([O-])=O)c1

[O-]C(=O)CSc1ccncc1Oc1ccc(C#N)c2ccccc12

CC(C)(Sc1ccncc1Oc1ccc(C#N)c2ccccc12)C([O-])=O

[O-]C(=O)CCCSc1ccncc1Oc1ccc(C#N)c2ccccc12

[O-]C(=O)CCCCSc1ccncc1Oc1ccc(C#N)c2ccccc12

[O-]C(=O)CCCCCSc1ccncc1Oc1ccc(C#N)c2ccccc12

[O-]C(=O)CCCCCCSc1ccncc1Oc1ccc(C#N)c2ccccc12

[O-]C(=O)c1cccc(CSc2ccncc2Oc2ccc(C#N)c3ccccc23)c1

[O-]C(=O)c1ccccc1CSc1ccncc1Oc1ccc(C#N)c2ccccc12

[O-]C(=O)c1ccc(CSc2ccncc2Oc2ccc(C#N)c3ccccc23)cc1

COc1cc(ccc1CSc1ccncc1Oc1ccc(C#N)c2ccccc12)C([O-])=O

[O-]C(=O)c1ccccc1-c1ccc(CSc2ccncc2Oc2ccc(C#N)c3ccccc23)cc1

[O-]C(=O)Cc1c(Sc2ccncc2Oc2ccc(C#N)c3ccccc23)cccc1[N+]([O-])=O

[O-]C(=O)Cc1cc(Br)ccc1Sc1ccncc1Oc1ccc(C#N)c2ccccc12

COc1ccc(Sc2ccncc2Oc2ccc(C#N)c3ccccc23)c(CC([O-])=O)c1

CC(C)(Sc1ccncc1-c1ccc(C#N)c2ccccc12)C([O-])=O

OC(=O)CCSc1nc2ncccc2n1Cc1ccc(C2CC2)c2ccccc12

OC(=O)CSc1nc2cnccc2n1Cc1ccc(C2CC2)c2ccccc12

CC(C)(C(=O)O)Sc1nc2c(n1Cc3ccc(c4c3cccc4)Br)cccn2

CC(C)(Sc1nc2cnccc2n1Cc1ccc(Br)c2ccccc12)C(O)=O

CC(Oc1nc2ncccc2n1-c1ccc(C2CC2)c2ccccc12)C(O)=O |(2.19,4.97,;2.51,3.46,;1.37,2.43,;-.09,2.9,;-.58,4.36,;-2.11,4.36,;-3.14,5.5,;-4.65,5.18,;-5.12,3.71,;-4.09,2.56,;-2.59,2.89,;-1.33,2,;-1.33,.46,;-2.66,-.31,;-2.66,-1.86,;-1.32,-2.63,;-1.31,-4.17,;-2.08,-5.5,;-.54,-5.5,;.01,-1.85,;1.34,-2.62,;2.68,-1.84,;2.67,-.29,;1.33,.47,;.01,-.31,;3.98,2.99,;5.12,4.02,;4.3,1.49,)|

CC(C)(Oc1nc2ncccc2n1-c1ccc(C2CC2)c2ccccc12)C(O)=O |(1.41,4.56,;2.51,3.46,;2.91,4.96,;1.37,2.43,;-.09,2.9,;-.57,4.36,;-2.11,4.36,;-3.14,5.5,;-4.64,5.18,;-5.11,3.7,;-4.09,2.55,;-2.58,2.89,;-1.33,2,;-1.33,.46,;-2.65,-.31,;-2.66,-1.86,;-1.32,-2.63,;-1.31,-4.16,;-2.08,-5.5,;-.54,-5.49,;.01,-1.85,;1.34,-2.61,;2.68,-1.84,;2.67,-.29,;1.33,.47,;.01,-.31,;3.97,2.99,;5.11,4.02,;4.3,1.48,)|

OC(=O)CCOc1nc2ncccc2n1-c1ccc(C2CC2)c2ccccc12 |(5.85,3.54,;4.39,4.01,;4.06,5.52,;3.25,2.98,;1.78,3.45,;.64,2.42,;-.83,2.89,;-1.31,4.35,;-2.84,4.35,;-3.87,5.49,;-5.38,5.17,;-5.85,3.7,;-4.82,2.54,;-3.32,2.88,;-2.06,1.98,;-2.06,.44,;-3.39,-.33,;-3.39,-1.87,;-2.06,-2.64,;-2.05,-4.18,;-2.81,-5.52,;-1.27,-5.51,;-.72,-1.86,;.61,-2.63,;1.95,-1.86,;1.94,-.31,;.6,.45,;-.72,-.32,)|

OC(=O)C1(CCC1)Oc1nc2ncccc2n1-c1ccc(C2CC2)c2ccccc12 |(5.12,3.99,;3.98,2.96,;4.3,1.45,;2.51,3.44,;3.27,4.77,;1.93,5.54,;1.17,4.2,;1.37,2.4,;-.09,2.87,;-.57,4.33,;-2.11,4.33,;-3.14,5.47,;-4.65,5.15,;-5.12,3.67,;-4.09,2.52,;-2.59,2.86,;-1.33,1.96,;-1.33,.42,;-2.66,-.35,;-2.66,-1.89,;-1.32,-2.66,;-1.31,-4.2,;-2.08,-5.54,;-.54,-5.53,;.01,-1.88,;1.34,-2.65,;2.68,-1.88,;2.67,-.33,;1.33,.43,;.01,-.34,)|

[#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]

O=C(CSc1nc2sccc2c(=O)n1-c1ccc(C2CC2)c2ccccc12)NS(=O)(=O)c1ccccc1 |(1.12,-.17,;1.13,1.37,;-.21,2.14,;-1.54,1.37,;-2.87,2.14,;-2.87,3.68,;-4.2,4.45,;-4.52,5.96,;-6.05,6.12,;-6.68,4.72,;-5.54,3.68,;-5.54,2.14,;-6.88,1.38,;-4.21,1.37,;-4.21,-.17,;-5.55,-.94,;-5.55,-2.48,;-4.21,-3.25,;-4.22,-4.79,;-3.45,-6.12,;-4.99,-6.12,;-2.88,-2.48,;-1.55,-3.25,;-.21,-2.48,;-.21,-.94,;-1.54,-.17,;-2.88,-.94,;2.46,2.13,;3.79,1.36,;5.13,.59,;3.02,.03,;4.57,2.69,;3.8,4.03,;4.57,5.36,;6.11,5.36,;6.88,4.03,;6.11,2.69,)|

[O-][N+](=O)c1ccc(cc1)S(=O)(=O)NC(=O)CSc1nc2sccc2c(=O)n1-c1ccc(C2CC2)c2ccccc12 |(5.34,7.07,;6.11,5.74,;7.65,5.74,;5.34,4.41,;3.8,4.41,;3.03,3.08,;3.79,1.74,;5.34,1.74,;6.1,3.08,;3.02,.41,;4.35,-.36,;2.25,-.92,;1.69,1.18,;.35,.41,;.35,-1.13,;-.98,1.19,;-2.31,.42,;-3.65,1.19,;-3.64,2.73,;-4.98,3.5,;-5.29,5.01,;-6.83,5.17,;-7.45,3.76,;-6.31,2.73,;-6.31,1.19,;-7.65,.42,;-4.98,.42,;-4.98,-1.12,;-6.32,-1.89,;-6.32,-3.43,;-4.99,-4.2,;-4.99,-5.74,;-4.22,-7.07,;-5.76,-7.07,;-3.65,-3.43,;-2.32,-4.2,;-.98,-3.43,;-.98,-1.89,;-2.31,-1.12,;-3.65,-1.89,)|

[O-][N+](=O)c1ccccc1S(=O)(=O)NC(=O)CSc1nc2sccc2c(=O)n1-c1ccc(C2CC2)c2ccccc12 |(1.49,2.7,;2.26,4.03,;1.49,5.36,;3.8,4.03,;4.57,5.36,;6.11,5.36,;6.88,4.03,;6.11,2.69,;4.57,2.69,;3.79,1.36,;5.13,.59,;3.02,.03,;2.46,2.13,;1.13,1.37,;1.12,-.17,;-.21,2.14,;-1.54,1.37,;-2.87,2.14,;-2.87,3.68,;-4.2,4.45,;-4.52,5.96,;-6.05,6.12,;-6.68,4.72,;-5.54,3.68,;-5.54,2.14,;-6.88,1.38,;-4.21,1.37,;-4.21,-.17,;-5.55,-.94,;-5.55,-2.48,;-4.21,-3.25,;-4.22,-4.79,;-3.45,-6.12,;-4.99,-6.12,;-2.88,-2.48,;-1.55,-3.25,;-.21,-2.48,;-.21,-.94,;-1.54,-.17,;-2.88,-.94,)|

[O-][N+](=O)c1cccc(c1)S(=O)(=O)NC(=O)CSc1nc2sccc2c(=O)n1-c1ccc(C2CC2)c2ccccc12 |(2.26,5.74,;3.8,5.74,;4.57,7.07,;4.57,4.41,;6.11,4.4,;6.88,3.08,;6.11,1.74,;4.57,1.74,;3.8,3.08,;3.79,.41,;5.13,-.36,;3.02,-.92,;2.46,1.18,;1.13,.41,;1.12,-1.13,;-.21,1.18,;-1.54,.42,;-2.87,1.19,;-2.87,2.73,;-4.2,3.5,;-4.52,5.01,;-6.05,5.17,;-6.68,3.76,;-5.54,2.73,;-5.54,1.19,;-6.88,.42,;-4.21,.42,;-4.21,-1.12,;-5.55,-1.89,;-5.55,-3.43,;-4.21,-4.2,;-4.22,-5.74,;-3.45,-7.07,;-4.99,-7.07,;-2.88,-3.43,;-1.55,-4.2,;-.21,-3.43,;-.21,-1.89,;-1.54,-1.12,;-2.88,-1.89,)|

FC(F)(F)c1ccc(cc1)S(=O)(=O)NC(=O)CSc1nc2sccc2c(=O)n1-c1ccc(C2CC2)c2ccccc12 |(5.34,7.07,;6.11,5.74,;7.65,5.74,;6.88,7.07,;5.34,4.41,;3.8,4.41,;3.03,3.08,;3.79,1.74,;5.34,1.74,;6.1,3.08,;3.02,.41,;4.35,-.36,;2.25,-.92,;1.69,1.18,;.35,.41,;.35,-1.13,;-.98,1.19,;-2.31,.42,;-3.65,1.19,;-3.64,2.73,;-4.98,3.5,;-5.29,5.01,;-6.83,5.17,;-7.45,3.76,;-6.31,2.73,;-6.31,1.19,;-7.65,.42,;-4.98,.42,;-4.98,-1.12,;-6.32,-1.89,;-6.32,-3.43,;-4.99,-4.2,;-4.99,-5.74,;-4.22,-7.07,;-5.76,-7.07,;-3.65,-3.43,;-2.32,-4.2,;-.98,-3.43,;-.98,-1.89,;-2.31,-1.12,;-3.65,-1.89,)|

Fc1cc(F)cc(c1)S(=O)(=O)NC(=O)CSc1nc2sccc2c(=O)n1-c1ccc(C2CC2)c2ccccc12 |(3.03,6.41,;3.8,5.07,;5.34,5.07,;6.11,3.74,;7.65,3.74,;5.34,2.41,;3.79,2.41,;3.03,3.74,;3.02,1.08,;4.36,.31,;2.25,-.26,;1.69,1.85,;.36,1.08,;.35,-.46,;-.98,1.85,;-2.31,1.08,;-3.64,1.86,;-3.64,3.4,;-4.97,4.17,;-5.29,5.67,;-6.82,5.84,;-7.45,4.43,;-6.31,3.4,;-6.31,1.86,;-7.65,1.09,;-4.98,1.09,;-4.98,-.45,;-6.32,-1.22,;-6.32,-2.76,;-4.98,-3.53,;-4.99,-5.07,;-4.22,-6.41,;-5.76,-6.41,;-3.65,-2.76,;-2.32,-3.54,;-.98,-2.77,;-.98,-1.23,;-2.31,-.46,;-3.65,-1.22,)|

Fc1ccc(c(F)c1)S(=O)(=O)NC(=O)CSc1nc2sccc2c(=O)n1-c1ccc(C2CC2)c2ccccc12 |(6.88,6.41,;6.11,5.07,;4.56,5.07,;3.79,3.75,;4.56,2.41,;6.11,2.41,;6.88,1.07,;6.87,3.75,;3.79,1.08,;5.12,.31,;3.02,-.25,;2.46,1.85,;1.12,1.08,;1.12,-.46,;-.21,1.85,;-1.54,1.08,;-2.88,1.86,;-2.88,3.4,;-4.21,4.17,;-4.53,5.67,;-6.06,5.84,;-6.69,4.43,;-5.54,3.4,;-5.54,1.86,;-6.88,1.09,;-4.21,1.09,;-4.21,-.45,;-5.55,-1.22,;-5.55,-2.76,;-4.22,-3.53,;-4.22,-5.07,;-3.45,-6.41,;-4.99,-6.4,;-2.88,-2.76,;-1.55,-3.54,;-.22,-2.77,;-.21,-1.23,;-1.55,-.46,;-2.88,-1.22,)|

Fc1ccc(cc1)S(=O)(=O)NC(=O)CSc1nc2sccc2c(=O)n1-c1ccc(C2CC2)c2ccccc12 |(6.88,6.41,;6.11,5.07,;4.57,5.07,;3.8,3.75,;4.56,2.41,;6.11,2.41,;6.87,3.75,;3.79,1.08,;5.12,.31,;3.02,-.25,;2.46,1.85,;1.12,1.08,;1.12,-.46,;-.21,1.85,;-1.54,1.08,;-2.88,1.86,;-2.87,3.4,;-4.21,4.17,;-4.52,5.67,;-6.06,5.84,;-6.68,4.43,;-5.54,3.4,;-5.54,1.86,;-6.88,1.09,;-4.21,1.09,;-4.21,-.45,;-5.55,-1.22,;-5.55,-2.76,;-4.22,-3.53,;-4.22,-5.07,;-3.45,-6.41,;-4.99,-6.4,;-2.88,-2.76,;-1.55,-3.54,;-.21,-2.77,;-.21,-1.23,;-1.54,-.46,;-2.88,-1.22,)|

Clc1ccc(cc1)S(=O)(=O)NC(=O)CSc1nc2sccc2c(=O)n1-c1ccc(C2CC2)c2ccccc12 |(6.88,6.41,;6.11,5.07,;4.57,5.07,;3.8,3.75,;4.56,2.41,;6.11,2.41,;6.87,3.75,;3.79,1.08,;5.12,.31,;3.02,-.25,;2.46,1.85,;1.12,1.08,;1.12,-.46,;-.21,1.85,;-1.54,1.08,;-2.88,1.86,;-2.87,3.4,;-4.21,4.17,;-4.52,5.67,;-6.06,5.84,;-6.68,4.43,;-5.54,3.4,;-5.54,1.86,;-6.88,1.09,;-4.21,1.09,;-4.21,-.45,;-5.55,-1.22,;-5.55,-2.76,;-4.22,-3.53,;-4.22,-5.07,;-3.45,-6.41,;-4.99,-6.4,;-2.88,-2.76,;-1.55,-3.54,;-.21,-2.77,;-.21,-1.23,;-1.54,-.46,;-2.88,-1.22,)|

Brc1ccc(cc1)S(=O)(=O)NC(=O)CSc1nc2sccc2c(=O)n1-c1ccc(C2CC2)c2ccccc12 |(6.88,6.41,;6.11,5.07,;4.57,5.07,;3.8,3.75,;4.56,2.41,;6.11,2.41,;6.87,3.75,;3.79,1.08,;5.12,.31,;3.02,-.25,;2.46,1.85,;1.12,1.08,;1.12,-.46,;-.21,1.85,;-1.54,1.08,;-2.88,1.86,;-2.87,3.4,;-4.21,4.17,;-4.52,5.67,;-6.06,5.84,;-6.68,4.43,;-5.54,3.4,;-5.54,1.86,;-6.88,1.09,;-4.21,1.09,;-4.21,-.45,;-5.55,-1.22,;-5.55,-2.76,;-4.22,-3.53,;-4.22,-5.07,;-3.45,-6.41,;-4.99,-6.4,;-2.88,-2.76,;-1.55,-3.54,;-.21,-2.77,;-.21,-1.23,;-1.54,-.46,;-2.88,-1.22,)|

Oc1ccc(cc1)S(=O)(=O)NC(=O)CSc1nc2sccc2c(=O)n1-c1ccc(C2CC2)c2ccccc12 |(6.88,6.41,;6.11,5.07,;4.57,5.07,;3.8,3.75,;4.56,2.41,;6.11,2.41,;6.87,3.75,;3.79,1.08,;5.12,.31,;3.02,-.25,;2.46,1.85,;1.12,1.08,;1.12,-.46,;-.21,1.85,;-1.54,1.08,;-2.88,1.86,;-2.87,3.4,;-4.21,4.17,;-4.52,5.67,;-6.06,5.84,;-6.68,4.43,;-5.54,3.4,;-5.54,1.86,;-6.88,1.09,;-4.21,1.09,;-4.21,-.45,;-5.55,-1.22,;-5.55,-2.76,;-4.22,-3.53,;-4.22,-5.07,;-3.45,-6.41,;-4.99,-6.4,;-2.88,-2.76,;-1.55,-3.54,;-.21,-2.77,;-.21,-1.23,;-1.54,-.46,;-2.88,-1.22,)|

CC(C)(C)c1ccc(cc1)S(=O)(=O)NC(=O)CSc1nc2sccc2c(=O)n1-c1ccc(C2CC2)c2ccccc12 |(5.34,7.07,;6.11,5.74,;7.65,5.74,;6.88,7.07,;5.34,4.41,;3.8,4.41,;3.03,3.08,;3.79,1.74,;5.34,1.74,;6.1,3.08,;3.02,.41,;4.35,-.36,;2.25,-.92,;1.69,1.18,;.35,.41,;.35,-1.13,;-.98,1.19,;-2.31,.42,;-3.65,1.19,;-3.64,2.73,;-4.98,3.5,;-5.29,5.01,;-6.83,5.17,;-7.45,3.76,;-6.31,2.73,;-6.31,1.19,;-7.65,.42,;-4.98,.42,;-4.98,-1.12,;-6.32,-1.89,;-6.32,-3.43,;-4.99,-4.2,;-4.99,-5.74,;-4.22,-7.07,;-5.76,-7.07,;-3.65,-3.43,;-2.32,-4.2,;-.98,-3.43,;-.98,-1.89,;-2.31,-1.12,;-3.65,-1.89,)|

Clc1ccc(s1)S(=O)(=O)NC(=O)CSc1nc2sccc2c(=O)n1-c1ccc(C2CC2)c2ccccc12 |(5.31,6.4,;5.31,4.86,;6.65,4.09,;6.33,2.58,;4.79,2.42,;4.17,3.83,;4.02,1.09,;5.35,.32,;3.25,-.25,;2.69,1.86,;1.35,1.09,;1.35,-.45,;.02,1.86,;-1.31,1.09,;-2.65,1.87,;-2.64,3.41,;-3.98,4.18,;-4.29,5.68,;-5.83,5.85,;-6.45,4.44,;-5.31,3.41,;-5.31,1.87,;-6.65,1.1,;-3.98,1.1,;-3.98,-.44,;-5.32,-1.21,;-5.32,-2.75,;-3.99,-3.52,;-3.99,-5.06,;-3.22,-6.4,;-4.76,-6.39,;-2.65,-2.75,;-1.32,-3.53,;.02,-2.76,;.02,-1.22,;-1.31,-.45,;-2.65,-1.21,)|

CS(=O)(=O)NC(=O)CSc1nc2sccc2c(=O)n1-c1ccc(C2CC2)c2ccccc12 |(5.44,2.69,;4.67,1.36,;6,.59,;3.9,.03,;3.34,2.13,;2,1.37,;2,-.17,;.67,2.14,;-.67,1.37,;-2,2.14,;-2,3.68,;-3.33,4.45,;-3.65,5.96,;-5.18,6.12,;-5.81,4.72,;-4.66,3.68,;-4.67,2.14,;-6,1.38,;-3.33,1.37,;-3.34,-.17,;-4.67,-.94,;-4.67,-2.48,;-3.34,-3.25,;-3.34,-4.79,;-2.57,-6.12,;-4.11,-6.12,;-2,-2.48,;-.67,-3.25,;.66,-2.48,;.66,-.94,;-.67,-.17,;-2,-.94,)|

CCS(=O)(=O)NC(=O)CSc1nc2sccc2c(=O)n1-c1ccc(C2CC2)c2ccccc12 |(4.67,4.03,;5.44,2.69,;4.67,1.36,;6,.59,;3.9,.03,;3.34,2.13,;2,1.37,;2,-.17,;.67,2.14,;-.67,1.37,;-2,2.14,;-2,3.68,;-3.33,4.45,;-3.65,5.96,;-5.18,6.12,;-5.81,4.72,;-4.66,3.68,;-4.67,2.14,;-6,1.38,;-3.33,1.37,;-3.34,-.17,;-4.67,-.94,;-4.67,-2.48,;-3.34,-3.25,;-3.34,-4.79,;-2.57,-6.12,;-4.11,-6.12,;-2,-2.48,;-.67,-3.25,;.66,-2.48,;.66,-.94,;-.67,-.17,;-2,-.94,)|

CC(C)S(=O)(=O)NC(=O)CSc1nc2sccc2c(=O)n1-c1ccc(C2CC2)c2ccccc12 |(4.18,4.03,;4.95,2.69,;6.49,2.69,;4.18,1.36,;5.51,.59,;3.41,.03,;2.85,2.13,;1.51,1.37,;1.51,-.17,;.18,2.14,;-1.16,1.37,;-2.49,2.14,;-2.49,3.68,;-3.82,4.45,;-4.14,5.96,;-5.67,6.12,;-6.3,4.72,;-5.15,3.68,;-5.16,2.14,;-6.49,1.38,;-3.82,1.37,;-3.83,-.17,;-5.16,-.94,;-5.16,-2.48,;-3.83,-3.25,;-3.83,-4.79,;-3.06,-6.12,;-4.6,-6.12,;-2.49,-2.48,;-1.16,-3.25,;.17,-2.48,;.17,-.94,;-1.16,-.17,;-2.49,-.94,)|

CC(C)(C)S(=O)(=O)NC(=O)CSc1nc2sccc2c(=O)n1-c1ccc(C2CC2)c2ccccc12 |(4.18,4.03,;4.95,2.69,;6.49,2.69,;5.72,4.03,;4.18,1.36,;5.51,.59,;3.41,.03,;2.85,2.13,;1.51,1.37,;1.51,-.17,;.18,2.14,;-1.16,1.37,;-2.49,2.14,;-2.49,3.68,;-3.82,4.45,;-4.14,5.96,;-5.67,6.12,;-6.3,4.72,;-5.15,3.68,;-5.16,2.14,;-6.49,1.38,;-3.82,1.37,;-3.83,-.17,;-5.16,-.94,;-5.16,-2.48,;-3.83,-3.25,;-3.83,-4.79,;-3.06,-6.12,;-4.6,-6.12,;-2.49,-2.48,;-1.16,-3.25,;.17,-2.48,;.17,-.94,;-1.16,-.17,;-2.49,-.94,)|

O=C(CSc1nc2sccc2c(=O)n1-c1ccc(C2CC2)c2ccccc12)NS(=O)(=O)C1CC1 |(1.61,-.17,;1.61,1.37,;.28,2.14,;-1.05,1.37,;-2.39,2.14,;-2.39,3.68,;-3.72,4.45,;-4.04,5.96,;-5.57,6.12,;-6.2,4.72,;-5.05,3.68,;-5.05,2.14,;-6.39,1.38,;-3.72,1.37,;-3.72,-.17,;-5.06,-.94,;-5.06,-2.48,;-3.73,-3.25,;-3.73,-4.79,;-2.96,-6.12,;-4.5,-6.12,;-2.39,-2.48,;-1.06,-3.25,;.27,-2.48,;.28,-.94,;-1.06,-.17,;-2.39,-.94,;2.95,2.13,;4.28,1.36,;5.61,.59,;3.51,.03,;5.05,2.69,;6.39,3.46,;5.06,4.24,)|

OC(=O)CSc1nc2sccc2c(=O)n1-c1ccc(C2CC2)c2ccccc12 |(4.7,2.39,;3.36,1.62,;3.36,.08,;2.03,2.39,;.7,1.62,;-.64,2.39,;-.8,3.92,;-2.21,4.55,;-2.68,6.01,;-4.22,6.01,;-4.7,4.55,;-3.45,3.64,;-3.29,2.11,;-4.62,1.34,;-1.88,1.48,;-1.88,-.06,;-3.22,-.83,;-3.21,-2.37,;-1.89,-3.13,;-1.89,-4.67,;-2.66,-6.01,;-1.12,-6.01,;-.55,-2.36,;.78,-3.14,;2.11,-2.36,;2.11,-.83,;.78,-.06,;-.55,-.83,)|

OC(=O)CSc1ccncc1C(=O)N1CCc2ccccc2C1

OC(=O)CCSc1ccncc1C(=O)N1CCc2ccccc2C1

OC(=O)CCCSc1ccncc1C(=O)N1CCc2ccccc2C1

CC(Sc1ccncc1C(=O)N1CCc2ccccc2C1)C(O)=O

CC(C)(Sc1ccncc1C(=O)N1CCc2ccccc2C1)C(O)=O

OC(=O)C1(CCC1)Sc1ccncc1C(=O)N1CCc2ccccc2C1

OC(=O)CSc1ccncc1C(=O)N1CCOc2ccccc12

OC(=O)CCSc1ccncc1C(=O)N1CCOc2ccccc12

OC(=O)CCCSc1ccncc1C(=O)N1CCOc2ccccc12

CC(Sc1ccncc1C(=O)N1CCOc2ccccc12)C(O)=O

CC(C)(Sc1ccncc1C(=O)N1CCOc2ccccc12)C(O)=O

OC(=O)C1(CCC1)Sc1ccncc1C(=O)N1CCOc2ccccc12

Oc1c(Cl)cc(cc1Cl)C(=O)n1cc(Br)c2cccnc12

Oc1c(Cl)cc(cc1Cl)C(=O)n1ccc2c(Cl)ncnc12

Oc1c(Cl)cc(cc1Cl)C(=O)n1ncc2ccccc12

Oc1c(Cl)cc(cc1Cl)C(=O)n1ccc2cccnc12

Oc1c(Cl)cc(cc1Cl)C(=O)n1ccc2ncccc12

Oc1c(Cl)cc(cc1Cl)C(=O)n1ccc2ccncc12

Oc1c(Cl)cc(cc1Cl)C(=O)N1CCc2cc(Br)ccc12

Oc1c(Cl)cc(cc1Cl)C(=O)n1ccc2cnccc12

Cc1ccc2n(ncc2c1)C(=O)c1cc(Cl)c(O)c(Cl)c1

CC1Cc2ccccc2N1C(=O)c1cc(Cl)c(O)c(Cl)c1

Oc1c(Br)cc(cc1Br)C(=O)n1ccc2cccnc12

Cc1cc(cc(C)c1O)C(=O)n1ccc2cccnc12

COc1cc(cc(OC)c1O)C(=O)n1ccc2cccnc12

Oc1ccc(cc1F)C(=O)n1ccc2cccnc12

Cc1cc(ccc1O)C(=O)n1ccc2cccnc12

Oc1ccc(cc1Br)C(=O)n1ccc2cccnc12

COc1cc(ccc1O)C(=O)n1ccc2cccnc12

Oc1ccc(cc1Cl)C(=O)n1ccc2cccnc12

Oc1ccc(cc1)C(=O)n1ccc2cccnc12

Oc1ccc(cc1[N+]([O-])=O)C(=O)n1ccc2cccnc12

COC(=O)C(Sc1nnc(Br)n1-c1ccc(Br)c2ccccc12)C(=O)OC |(4.17,4.02,;4.57,2.54,;3.48,1.45,;3.88,-.04,;1.99,1.85,;.9,.76,;-.59,1.16,;-1.06,2.62,;-2.6,2.62,;-3.08,1.16,;-4.57,.76,;-1.83,.25,;-1.83,-1.29,;-3.17,-2.06,;-3.17,-3.61,;-1.83,-4.37,;-1.83,-5.91,;-.5,-3.6,;.84,-4.37,;2.17,-3.6,;2.17,-2.06,;.83,-1.29,;-.5,-2.06,;1.59,3.33,;.1,3.73,;2.68,4.42,;2.28,5.91,)|

FC(F)(F)Oc1ccccc1S(=O)(=O)Nc1ccc(C#N)c(Cl)c1

FC(F)(F)Oc1ccccc1S(=O)(=O)Nc1cc(Cl)c(C#N)c(Cl)c1

Oc1nc(O)c(C(=O)Nc2ccc(cc2)-c2cnn[nH]2)c(=O)[nH]1

[O-]C(=O)CSc1nnc(Br)n1Cc1cccs1

[O-]C(=O)CCCc1nnc(Br)n1Cc1ccc(Br)c2ccccc12

O=C(c1ccnc2ccc(Br)cc12)N1CCCC[C@H]1CNS(=O)(=O)C(F)(F)F

O=C(c1ccnc2ccc(Br)cc12)N1CCC[C@H]1CNS(=O)(=O)C(F)(F)F

O=C(c1ccnc2ccc(Br)cc12)N1CCC[C@@H]1CNS(=O)(=O)C(F)(F)F

O=C(c1ccnc2ccc(Br)cc12)N1CC[C@H]1CNS(=O)(=O)C(F)(F)F

O=C(c1ccnc2ccc(Br)cc12)N1CC[C@@H]1CNS(=O)(=O)C(F)(F)F

COc1cc(-c2ccc3nccc(C(=O)N4CCC[C@H]4CNS(=O)(=O)C(F)(F)F)c3c2)ccn1

O=C(c1ccnc2ccc(-c3ccnc(F)c3)cc12)N1CCC[C@H]1CNS(=O)(=O)C(F)(F)F

O=C(c1ccnc2ccc(-c3cnoc3)cc12)N1CCC[C@H]1CNS(=O)(=O)C(F)(F)F

COc1cccc(-c2ccc3nccc(C(=O)N4CCC[C@H]4CNS(=O)(=O)C(F)(F)F)c3c2)c1

Cc1ccc(-c2ccc3nccc(C(=O)N4CCC[C@H]4CNS(=O)(=O)C(F)(F)F)c3c2)cc1

O=C(c1ccnc2ccc(-c3ccc(F)cc3)cc12)N1CCC[C@H]1CNS(=O)(=O)C(F)(F)F

O=C(c1ccnc2ccc(C3CC3)cc12)N1CCC[C@H]1CNS(=O)(=O)C(F)(F)F

O=C(c1ccnc2ccc(C3CCCC3)cc12)N1CCC[C@H]1CNS(=O)(=O)C(F)(F)F

O=C(c1ccnc2ccc(C3CCCCC3)cc12)N1CCC[C@H]1CNS(=O)(=O)C(F)(F)F

O=C(c1ccnc2ccc(Nc3ccc(Cl)cc3)cc12)N1CCC[C@H]1CNS(=O)(=O)C(F)(F)F

CC(C)NC(=O)c1cncc(-c2ccc(O)c(C(=O)O)c2)c1

CC(C)NC(=O)c1cncc(-c2ccc(Cl)c(C(=O)O)c2)c1

CC(C)NC(=O)c1cncc(-c2ccc(F)c(C(=O)O)c2)c1

O=C(O)c1ccc(-c2cncc(Oc3ccccc3)c2)cc1O

O=C(O)c1ccc(-c2cncc(Oc3ccc(F)cc3)c2)cc1O

O=C(O)c1ccc(-c2cncc(Oc3ccc(Cl)cc3)c2)cc1O

Cc1ccc(Oc2cncc(-c3ccc(C(=O)O)c(O)c3)c2)cc1

CC(C)(C)c1ccc(Oc2cncc(-c3ccc(C(=O)O)c(O)c3)c2)cc1

O=C(O)c1ccc(-c2cncc(Oc3cccc(Cl)c3)c2)cc1O

Cc1cccc(Oc2cncc(-c3ccc(C(=O)O)c(O)c3)c2)c1

O=C(O)c1ccc(-c2cncc(Nc3ccccc3)c2)cc1O

O=C(O)c1ccc(-c2cncc(Nc3ccc(F)cc3)c2)cc1O

O=C(O)c1ccc(-c2cncc(Nc3ccc(Cl)cc3)c2)cc1O

Cc1ccc(Nc2cncc(-c3ccc(C(=O)O)c(O)c3)c2)cc1

CCc1ccc(Nc2cncc(-c3ccc(C(=O)O)c(O)c3)c2)cc1

CC(C)(C)c1ccc(Nc2cncc(-c3ccc(C(=O)O)c(O)c3)c2)cc1

COc1ccc(Nc2cncc(-c3ccc(C(=O)O)c(O)c3)c2)cc1

O=C(O)c1ccc(-c2cncc(Nc3cccc(Cl)c3)c2)cc1O

Cc1cccc(Nc2cncc(-c3ccc(C(=O)O)c(O)c3)c2)c1

O=C(O)c1ccc(-c2cncc(Nc3ccc(F)c(Cl)c3)c2)cc1O

O=C(O)c1ccc(-c2cncc(Nc3ccc(Cl)c(Cl)c3)c2)cc1O

Cc1ccc(Nc2cncc(-c3ccc(C(=O)O)c(O)c3)c2)cc1C

Cc1ccc(Nc2cncc(-c3ccc(C(=O)O)c(O)c3)c2)cc1F

Cc1ccc(Nc2cncc(-c3ccc(C(=O)O)c(O)c3)c2)cc1Cl

CC(C)NC(=O)c1cncc(-c2ccc(C(=O)O)c(O)c2)c1

CC(C)(Sc1nccc(Nc2ccc(C3CC3)c3ccccc23)n1)C(=O)O

O=C(O)CCCSc1nccc(Nc2ccc(C3CC3)c3ccccc23)n1

CC(C)(Sc1nc(Nc2ccc(C3CC3)c3ccccc23)c2ccccc2n1)C(=O)O

COc1cc2nc(SCC(=O)O)nc(Nc3ccc(C4CC4)c4ccccc34)c2cc1OC

O=C(O)CCSc1nc(Nc2ccc(C3CC3)c3ccccc23)c2sccc2n1

O=C(O)CCCSc1nc(Nc2ccc(C3CC3)c3ccccc23)c2sccc2n1

CC(C)(Sc1nc2c(c(Nc3ccc(C4CC4)c4ccccc34)n1)CCC2)C(=O)O

O=C(O)CCSc1nc2c(c(Nc3ccc(C4CC4)c4ccccc34)n1)CCC2

CC(C)COc1ccc(-c2ccc(C(=O)O)c(O)c2)cc1C#N

CC(C)COc1ccc(-c2cccc(O)c2C(=O)O)cc1C#N

N#Cc1cccc(-c2ccc(C(=O)O)c(O)c2)c1

N#Cc1cc(-c2ccc(C(=O)O)c(O)c2)c2ncsc2c1

N#Cc1cc(-c2ccc(C(=O)O)c(O)c2)c2cc[nH]c2c1

N#Cc1cc(-c2ccc(C(=O)O)c(O)c2)c2sccc2c1

N#Cc1cc2c(c(-c3ccc(C(=O)O)c(O)c3)c1)CCC2

N#Cc1cc(-c2ccc(C(=O)O)cc2)c2occc2c1

COc1cc(-c2cc(C#N)cc3ccoc23)ccc1C(=O)O

O=C(O)c1ccc(-c2cc(C(F)(F)F)cc3ccoc23)cc1O

N#Cc1cc(-c2ccc(C(=O)O)c(O)c2)c2occ(C(F)(F)F)c2c1

N#Cc1cc(-c2ccc(C(=O)O)c(O)c2)c2oc(C(F)(F)F)cc2c1

Cc1cc2cc(C#N)cc(-c3ccc(C(=O)O)c(O)c3)c2o1

C/C(=CCc1c(O)ccc2c1OC(c1ccc(O)cc1)CC2=O)C(=O)O

C/C(=CCc1c(O)ccc2c1OC(c1ccc(Cl)cc1)CC2=O)C(=O)O

C/C(=CCc1c(O)ccc2c1OC(c1ccc(Br)cc1)CC2=O)C(=O)O

C/C(=CCc1c(O)ccc2c1OC(c1ccc(Br)c3ccccc13)CC2=O)C(=O)O

C/C(=CCc1c(O)ccc2c1OC(c1ccsc1)CC2=O)C(=O)O

C/C(=CCc1c(O)ccc2c1OC(c1cccs1)CC2=O)C(=O)O

C/C(=CCc1c(O)ccc2c1OC(c1csc3ccccc13)CC2=O)C(=O)O

O=C(O)/C=C/Cc1c(O)ccc2c1OC(c1ccc(O)cc1)CC2=O

O=C(O)/C=C/Cc1c(O)ccc2c1OC(c1cccs1)CC2=O

O=C(O)CCCc1c(O)ccc2c1OC(c1cccs1)CC2=O

O=C(O)C/C=C/Cc1c(O)ccc2c1OC(c1csc3ccccc13)CC2=O

C/C(=CCc1cccc2c1OC(c1ccc(O)cc1)CC2=O)C(=O)O

C/C(=CCc1cccc2c1OC(c1ccc(Br)c3ccccc13)CC2=O)C(=O)O

C/C(=CCc1cccc2c1OC(c1ccsc1)CC2=O)C(=O)O

C/C(=CCc1cccc2c1OC(c1cccs1)CC2=O)C(=O)O

C/C(=CCc1cccc2c1OC(c1cc(Br)cs1)CC2=O)C(=O)O

C/C(=CCc1cccc2c1OC(c1cc3ccccc3s1)CC2=O)C(=O)O

C/C(=CCc1cccc2c1OC(c1csc3ccccc13)CC2=O)C(=O)O

O=C(O)/C=C/Cc1cccc2c1OC(c1ccc(O)cc1)CC2=O

O=C(O)/C=C/Cc1cccc2c1OC(c1ccc(Br)c3ccccc13)CC2=O

O=C(O)/C=C/Cc1cccc2c1OC(c1ccsc1)CC2=O

O=C(O)/C=C/Cc1cccc2c1OC(c1cccs1)CC2=O

O=C(O)/C=C/Cc1cccc2c1OC(c1cc3ccccc3s1)CC2=O

Cc1ccc2c(c1C/C=C/S(=O)(=O)c1ccccc1)OC(c1ccsc1)CC2=O

CC(C)=CCc1c(O)ccc2c1OC(c1ccc(O)cc1)CC2=O

CC(C)(Sc1ccncc1Cc1ccc(C#N)c2ccccc12)C(=O)O