Compound Name

SMILES String

CCN1c2ncc(COc3cccc4[nH]ccc34)cc2C(=O)N(C)c2ccc(Cl)nc12

CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CSc3ccncc3)cnc12

CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(NCc3ccccc3)cnc12

CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(O)c3)cnc12

CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccc(cc3)C(=O)OC)cnc12

CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccccc3)cnc12

Cc1ccnc2c1NC(=O)c3cccnc3N2C4CC4

CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccccc3F)cnc12

CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CN(C)c3ccccc3)cnc12

CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(N)c3)cnc12

CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cc[n+]([O-])c(c3)C(F)(F)F)cnc12

CCN1c2ncc(CSc3ncnc4nc[nH]c34)cc2C(=O)N(C)c2ccc(Cl)nc12

CCN1c2nc(F)ccc2N(C)C(=O)c2cc(COc3ccncc3)cnc12

CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccnc(C)c3)cnc12

CCN1c2ncc(CSc3ncnc4n[nH]cc34)cc2C(=O)N(C)c2ccc(Cl)nc12

CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccncc3)cnc12

CCN1c2ncccc2N(C)C(=O)c2cc(COc3ccncc3)cnc12

CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccccc3O)cnc12

CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccc(O)cc3)cnc12

CCN1c2ncc(COc3cccc(c3)C(=O)OC)cc2C(=O)N(C)c2ccc(Cl)nc12

CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cc[n+]([O-])c(C)c3)cnc12

CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CNc3ccccc3)cnc12

CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(OC)c3)cnc12

CCN1c2ncc(COc3ccc4[nH]ccc4c3)cc2C(=O)N(C)c2ccc(Cl)nc12

CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CNc3cccc(N)c3)cnc12

CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccnc(c3)C(F)(F)F)cnc12

CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccccc3)cnc12

CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(c3)C(O)=O)cnc12

CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CS(=O)(=O)c3ccccc3)cnc12

CCN1c2ncccc2N(C)C(=O)c2cc(COc3cc[n+]([O-])cc3)cnc12

CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccc(F)cc3)cnc12

CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccncc3)cnc12

CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(c3)[N+]([O-])=O)cnc12

CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(cnc12)N(C)C(=O)c1ccccc1

CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccnc3)cnc12

CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cc[n+]([O-])cc3)cnc12

CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(c3)C(N)=O)cnc12

CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CS(=O)c3ccccc3)cnc12

CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CSc3ccccc3)cnc12

CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CSc3ncccn3)cnc12

CCN1c2nc(F)ccc2N(C)C(=O)c2cc(COc3cc[n+]([O-])cc3)cnc12

Cc1c(Cc2c(F)cccc2F)nc(NC2CCCC2)[nH]c1=O

CC(c1cc(=O)[nH]c(SC2CCCC2)n1)c1c(F)cccc1F

CC(c1nc(SC2CCCC2)[nH]c(=O)c1C)c1c(F)cccc1F

Fc1cccc(F)c1Cc1cc(=O)[nH]c(NC2CCCC2)n1

Fc1cccc(F)c1Cc1cc(=O)[nH]c(SC2CCCC2)n1

CC1=C(N(C(=O)NC1=O)COCCO)Sc2ccccc2

CC(c1cc(=O)[nH]c(NC2CCCC2)n1)c1c(F)cccc1F

CC(c1nc(NC2CCCC2)[nH]c(=O)c1C)c1c(F)cccc1F

CCOCN1C(=C(C(=O)NC1=O)C(C)C)Cc2ccccc2

Cc1c(Cc2c(F)cccc2F)nc(SC2CCCC2)[nH]c1=O

OC(=O)C(=O)CC(=O)c1ccc(NC(=O)c2ccccc2)s1

c1ccc2c(c1)CC(=O)N(C2=O)O

CC(C)C1=CC=C(C(=O)C(=C1)O)O

On1c(=O)[nH]c2ccccc2c1=O

OC(=O)c1cc(O)c(=O)c2c(O)c(O)ccc2c1

OC(=O)c1nc([nH]c(=O)c1O)-c1ccccc1

OC(=O)c1nc(Cc2ccccc2)[nH]c(=O)c1O

OC(=O)c1nc(CCc2ccccc2)[nH]c(=O)c1O

OC(=O)c1nc(Cc2ccc(Cl)c(Cl)c2)[nH]c(=O)c1O

COc1ccc(Cc2nc(C(O)=O)c(O)c(=O)[nH]2)cc1Br

OC(=O)c1nc(Cc2c(Br)sc3ccc(Cl)cc23)[nH]c(=O)c1O

COC(=O)c1nc(Cc2ccccc2)[nH]c(=O)c1O

OCCOCn1c([Se]c2ccccc2)c(F)c(=O)[nH]c1=O

Cc1c([Se]c2ccccc2)n(COCCO)c(=S)[nH]c1=O

Cc1c([Se]c2ccccc2)n(COCCO)c(=O)[nH]c1=O

OCCOCn1c([Se]c2ccccc2)c(Br)c(=O)[nH]c1=O

OCCOCn1c([Se]c2ccccc2)cc(=O)[nH]c1=O

OCCOCn1c([Se]c2ccccc2)c(Cl)c(=O)[nH]c1=O

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]

On1c(=O)[nH]c2SC3CNCCC3c2c1=O

c1ccc(cc1)Cc2cc3c(s2)NC(=O)N(C3=O)O

On1c(=O)[nH]c2sc(cc2c1=O)-c1ccccc1

On1c(=O)[nH]c2SC3CCCCC3c2c1=O

On1c(=O)[nH]c2sccc2c1=O

On1c(=O)[nH]c2cc(sc2c1=O)-c1ccccc1

ON1C(=O)Cc2cc(ccc2C1=O)-c1ccccc1

Cc1nnc(o1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)O)C(=O)NCc3ccc(cc3)F

On1c(=O)[nH]c2SC3CN(Cc4ccccc4)CCC3c2c1=O

CCN1CCC2C(C1)Sc1[nH]c(=O)n(O)c(=O)c21

On1c(=O)[nH]c2SC3CCCC3c2c1=O

Cc1sc2[nH]c(=O)n(O)c(=O)c2c1C

Cc1csc2[nH]c(=O)n(O)c(=O)c12

On1c(=O)[nH]c2scc(-c3ccc(Cl)cc3)c2c1=O

On1c(=O)[nH]c2scc(-c3ccccc3)c2c1=O

ON1C(=O)NC2CN(Cc3ccccc3)CCC2C1=O

On1c(=O)[nH]c2cc(ccc2c1=O)-c1ccc(Cl)cc1

On1c(=O)[nH]c2cc(ccc2c1=O)-c1ccccc1

On1c(=O)[nH]c2cc(sc2c1=O)-c1ccc(Cl)cc1

On1c(=O)[nH]c2cc(sc2c1=O)-c1ccc(F)cc1

Cc1c(sc2[nH]c(=O)n(O)c(=O)c12)C(O)=O

Cc1c(Sc2ccccc2)n(COCCOP(O)(=O)P(O)(=O)P(O)(O)=O)c(=O)[nH]c1=O

Cc1cn(C2CC(N=[N+]=[N-])C(COP(O)(=O)P(O)(=O)P(O)(O)=O)O2)c(=O)[nH]c1=O

COC(=O)c1c(Nc2cccc(c2)-c2ccc(cc2)C#N)c2nccnc2n(O)c1=O

COC(=O)c1c(Nc2ccc(cc2)-c2ccccc2)c2nccnc2n(O)c1=O

COC(=O)c1c(Nc2ccc3ccccc3c2)c2nccnc2n(O)c1=O

COC(=O)c1c(Nc2cccc3ccccc23)c2nccnc2n(O)c1=O

COC(=O)c1c(Nc2cccc(c2)-c2ccc(OC)c(OC)c2)c2nccnc2n(O)c1=O

COC(=O)c1c(Nc2ccc(cc2)-c2ccc(OC)c(OC)c2)c2nccnc2n(O)c1=O

COC(=O)c1c(Nc2cccc(c2)-c2cncnc2)c2nccnc2n(O)c1=O

COC(=O)c1c(Nc2ccc(cc2)-c2cncnc2)c2nccnc2n(O)c1=O

COC(=O)c1c(Nc2cccc(c2)-c2cccc(c2)C#N)c2nccnc2n(O)c1=O

COC(=O)c1c(Nc2ccc(cc2)-c2cccc(c2)C#N)c2nccnc2n(O)c1=O

COC(=O)c1c(Nc2ccc(cc2)-c2ccc(cc2)C#N)c2nccnc2n(O)c1=O

Oc1ccc2C(=O)c3ccccc3C(=O)c2c1O

COc1ccc2ccccc2c1\C=N\NC(=O)c1ccc(cc1)-c1ccccc1

COc1ccc2ccccc2c1\C=N\NC(=O)c1ccc(Oc2ccccc2)cc1

COc1ccc2ccccc2c1\C=N\NC(=O)c3ccc(c(c3)O)O

O=C(Oc1ccc2C(=O)c3ccccc3C(=O)c2c1OC(=O)c1ccccc1)c1ccccc1

Cc1ccc(cc1Br)-c1nc(O)c(O)c(n1)C(O)=O

On1c(=O)cc(Sc2cccc(c2)-c2ccc(Cl)cc2)[nH]c1=O

Cc1ccc(Sc2cc(=O)n(O)c(=O)[nH]2)cc1

On1c(=O)cc(Sc2ccc(cc2)C(F)(F)F)[nH]c1=O

On1c(=O)cc(Sc2ccc(Cl)cc2)[nH]c1=O

Oc1ccc(Sc2cc(=O)n(O)c(=O)[nH]2)cc1

On1c(=O)cc(Sc2cccc3ccccc23)[nH]c1=O

On1c(=O)cc(Sc2ccc(cc2)-c2ccc(Cl)cc2)[nH]c1=O

Cc1cc(ccc1F)-c1ccc(Sc2cc(=O)n(O)c(=O)[nH]2)cc1

On1c(=O)cc(Sc2cccc(c2)-c2cccc(c2)C(F)(F)F)[nH]c1=O

On1c(=O)[nH]c(Sc2ccc(Br)cc2)c(Br)c1=O

[H][C@]12Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N1[C@H](C)CCO2 |r|

On1c(=O)[nH]c(Sc2ccc(Br)cc2)c(I)c1=O

On1c(=O)cc(Sc2ccc(Br)cc2)[nH]c1=O

On1c(=O)cc(Sc2ccccc2-c2ccc(cc2)C(F)(F)F)[nH]c1=O

On1c(=O)cc(Sc2ccc(cc2)-c2cccc(F)c2)[nH]c1=O

On1c(=O)cc(Sc2ccccc2C(F)(F)F)[nH]c1=O

On1c(=O)cc(Sc2ccccc2Br)[nH]c1=O

On1c(=O)cc(Sc2ccc(cc2)-c2ccccc2)[nH]c1=O

On1c(=O)cc(Sc2cccc(c2)-c2ccc(F)cc2)[nH]c1=O

On1c(=O)cc(Sc2ccc(F)cc2)[nH]c1=O

COc1ccc(Sc2cc(=O)n(O)c(=O)[nH]2)cc1

Oc1ccc(cc1)-c1ccc(Sc2cc(=O)n(O)c(=O)[nH]2)cc1

On1c(=O)cc(Sc2ccccc2)[nH]c1=O

CCc1ccc(Sc2cc(=O)n(O)c(=O)[nH]2)cc1

CCc1ccccc1Sc1cc(=O)n(O)c(=O)[nH]1

On1c(=O)cc(Sc2cccc(c2)C(F)(F)F)[nH]c1=O

On1c(=O)cc(Sc2cccc(F)c2)[nH]c1=O

On1c(=O)cc(Sc2ccccc2F)[nH]c1=O

On1c(=O)cc(Sc2cccc(Cl)c2)[nH]c1=O

On1c(=O)cc(Sc2cccc(Br)c2)[nH]c1=O

On1c(=O)cc(Sc2ccc(cc2)[N+]([O-])=O)[nH]c1=O

COc1cccc(Sc2cc(=O)n(O)c(=O)[nH]2)c1

COc1ccccc1Sc1cc(=O)n(O)c(=O)[nH]1

Cc1ccc(cc1)-c1ccc(Sc2cc(=O)n(O)c(=O)[nH]2)cc1

On1c(=O)cc(Sc2ccc(cc2)-c2ccc(cc2)C(F)(F)F)[nH]c1=O

On1c(=O)cc(Sc2ccc(cc2)-c2cccc(c2)C(F)(F)F)[nH]c1=O

COc1cccc(c1)-c1ccc(Sc2cc(=O)n(O)c(=O)[nH]2)cc1

COc1ccc(cc1OC)-c1ccc(Sc2cc(=O)n(O)c(=O)[nH]2)cc1

COc1cc(OC)cc(c1)-c1ccc(Sc2cc(=O)n(O)c(=O)[nH]2)cc1

COc1ccc(cc1F)-c1ccc(Sc2cc(=O)n(O)c(=O)[nH]2)cc1

On1c(=O)cc(Sc2cccc(c2)-c2ccc(cc2)C(F)(F)F)[nH]c1=O

On1c(=O)cc(Sc2cccc(c2)-c2cccc(F)c2)[nH]c1=O

On1c(=O)cc(Sc2cccc(c2)-c2ccc(F)c(Cl)c2)[nH]c1=O

On1c(=O)cc(Sc2ccccc2-c2ccc(F)cc2)[nH]c1=O

COc1cccc(c1)-c1ccc(Nc2cc(=O)n(O)c(=O)[nH]2)cc1

On1c2ncccc2c(Nc2ccc(cc2)-c2cnc3ccccc3c2)nc1=O

COc1ccc(cc1)-c1ccc(Sc2cc(=O)n(O)c(=O)[nH]2)cc1

On1c(=O)cc(Sc2ccc(cc2)-c2ccc(F)cc2)[nH]c1=O

CC(C)c1c(Cc2ccc(F)cc2)n(COCc2ccc(F)cc2)c(=O)n(O)c1=O

CCOCn1c(Cc2ccc(F)cc2)c(C(C)C)c(=O)n(O)c1=O

On1c(=O)cc(Cc2cccc(Br)c2)[nH]c1=O

On1c(=O)cc(Cc2cccc(c2)-c2cccc(F)c2)[nH]c1=O

On1c(=O)cc(Cc2ccc(cc2)-c2cc(Cl)cc(c2)C(F)(F)F)[nH]c1=O

On1c(=O)cc(Cc2ccc(cc2)-c2cccc(Cl)c2)[nH]c1=O

CCOCn1c(Cc2ccc(cc2)-c2ccc(cc2)C(F)(F)F)cc(=O)n(O)c1=O

CC(C)c1c(Cc2ccc(F)cc2)n(Cc2ccc(F)cc2)c(=O)n(O)c1=O

COn1c(=O)c(C(C)C)c(Cc2ccccc2)n(COCc2ccc(F)cc2)c1=O

COc1ccc(cc1F)-c1cccc(Cc2cc(=O)n(O)c(=O)[nH]2)c1

CC(C)c1c(Cc2ccccc2)n(COCc2ccc(F)cc2)c(=O)n(C)c1=O

On1c(=O)cc(Cc2cccc(c2)-c2ccccc2)[nH]c1=O

CCOCn1c(Cc2ccc(cc2)-c2ccccc2)cc(=O)n(O)c1=O

CC(C)c1c(Cc2ccccc2)n(CCCc2ccc(F)cc2)c(=O)n(O)c1=O

On1c(=O)cc(Cc2cccc(c2)-c2cc(Cl)cc(c2)C(F)(F)F)[nH]c1=O

CCOCn1c(Cc2ccc(cc2)-c2cc(OC)cc(OC)c2)c(C)c(=O)n(O)c1=O

CCc1c(-c2ccc(F)cc2)n(COCc2ccc(F)cc2)c(=O)n(O)c1=O

On1c(=O)cc(Cc2ccc(cc2)-c2ccc(cc2C(F)(F)F)C(F)(F)F)[nH]c1=O

On1c(=O)cc(Nc2cccc(c2)-c2ccc(Cl)cc2)[nH]c1=O

On1c(=O)cc(Nc2ccc(cc2)-c2ccccc2)[nH]c1=O

Cc1cc(ccc1F)-c1cccc(Cc2cc(=O)n(O)c(=O)[nH]2)c1

On1c(=O)cc(Cc2cccc(c2)-c2cccc(Cl)c2)[nH]c1=O

On1c(=O)cc(Cc2cccc(c2)-c2ccc(Cl)cc2)[nH]c1=O

On1c(=O)cc(Cc2cccc(c2)-c2cccc(c2)C(F)(F)F)[nH]c1=O

Cc1cc(ccc1F)-c1ccc(Cc2cc(=O)n(O)c(=O)[nH]2)cc1

COc1ccc(cc1F)-c1ccc(Cc2cc(=O)n(O)c(=O)[nH]2)cc1

On1c(=O)cc(Cc2ccc(cc2)-c2ccc(Cl)c(F)c2)[nH]c1=O

On1c(=O)cc(Cc2ccc(cc2)-c2ccc(F)cc2F)[nH]c1=O

On1c(=O)cc(Cc2ccc(cc2)-c2ccc(cc2)C(F)(F)F)[nH]c1=O

On1c(=O)cc(Cc2ccc(cc2)-c2ccccc2)[nH]c1=O

CCOCn1c(Cc2ccc(cc2)-c2ccc(Cl)c(F)c2)cc(=O)n(O)c1=O

CCOCn1c(Cc2ccc(cc2)-c2ccc(cc2)C#N)c(C)c(=O)n(O)c1=O

CC(C)c1c(Cc2ccc(F)cc2)n(Cc2ccccc2)c(=O)n(O)c1=O

CC(C)c1c(Cc2ccccc2)n(Cc2ccccc2)c(=O)n(O)c1=O

CC(C)c1c(Cc2ccccc2)n(CCc2ccc(F)cc2)c(=O)n(O)c1=O

CC(C)c1c(Cc2ccccc2)n(CCCCc2ccc(F)cc2)c(=O)n(O)c1=O

CCc1c(Cc2ccccc2)c(=O)n(O)c(=O)n1COCc1ccc(F)cc1

CCOCn1c(Cc2ccc(cc2)-c2ccccc2)c(C)c(=O)n(O)c1=O

CC(C)c1c(Cc2ccccc2)n(COCc2cccc(Cl)c2F)c(=O)n(O)c1=O

CC(C)c1c(Cc2ccccc2)n(COCCCCc2ccc(F)cc2)c(=O)n(O)c1=O

CC(C)c1c(Cc2ccccc2)n(COCCc2ccc(F)cc2)c(=O)n(O)c1=O

CC(C)c1c(Cc2ccccc2)n(COCc2ccc(F)cc2)c(=O)n(O)c1=O

CC(C)c1c(Cc2ccccc2)n(COCc2ccccc2)c(=O)n(O)c1=O

CCOCn1c(Cc2ccccc2)c(C(C)C)c(=O)n(O)c1=O

On1c(=O)cc(Cc2ccc(cc2)-c2cccc(c2)C(F)(F)F)[nH]c1=O

On1c(=O)cc(Cc2ccc(cc2)-c2cccc(F)c2)[nH]c1=O

CC(C)c1c(Cc2ccccc2)n(COCc2ccc(F)cc2F)c(=O)n(O)c1=O

On1c(=O)cc(Cc2ccc(cc2)-c2ccc(Cl)cc2Cl)[nH]c1=O

On1c(=O)cc(Cc2ccc(Br)cc2)[nH]c1=O

Clc1ccc(OCCNc2ccccc2)c(c1)C(=O)c1ccccc1

O=C(COc1ccc(cc1C(=O)c1ccccc1)-n1ccnc1)Nc1ccccc1

c1ccc(cc1)C(=O)c2cc(ccc2OCC(=O)Nc3ccccc3)Cl

CCN(CC)CCOc1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)c2ccccc2)cc1

CN(C)CCCOc1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)c2ccccc2)cc1

Fc1ccc(OCC(=O)Nc2ccccc2)c(c1)C(=O)c1ccccc1

Clc1ccc(OCC(=O)Nc2ccccc2)c(c1)C(=O)C1CCCC1

OC(c1ccccc1)c1cc(Cl)ccc1OCC(=O)Nc1ccccc1

Cc1ccccc1CNC(=O)COc1ccc(Cl)cc1C(=O)c1ccccc1

CCN(CC)CCOc1ccc(NC(=O)COc2ccccc2C(=O)c2ccc(F)cc2)cc1

CN(C)CCCOc1ccc(NC(=O)Cc2ccc(Cl)cc2C(=O)c2ccccc2)cc1

Clc1cc(OCC(=O)Nc2ccccc2)c(cc1Cl)C(=O)c1ccccc1

Clc1ccc(OCC(=O)c2cc3ccccc3[nH]2)c(c1)C(=O)c1ccccc1

CN(C)CCCOc1cc(C)c(NC(=O)Cc2ccc(Cl)cc2C(=O)c2ccccc2)c(C)c1

CN(C)CCCOc1ccc(NC(=O)Cc2ccc(Cl)cc2C(=O)c2ccccc2)c(C)c1

Clc1ccc(OC\C=C\c2ccccc2)c(c1)C(=O)c1ccccc1

Clc1cc(Cl)c(OCC(=O)Nc2ccccc2)c(c1)C(=O)c1ccccc1

Clc1ccc(OCC(=O)Nc2ccccc2)c(c1)C(=O)c1cccnc1

CCN(CC)CCOc1ccc(NC(=O)COc2ccccc2C(=O)c2ccccc2)cc1

CCN(CC)CCOc1ccc(NC(=O)COc2ccccc2C(=O)c2ccc(OC)cc2)cc1

CCN(CC)CCOc1ccc(NC(=O)COc2cc(OC)ccc2C(=O)c2ccccc2)cc1

Clc1ccc(OCC(=O)N2CCc3ccccc3C2)c(c1)C(=O)c1ccccc1

CN(C)CCCOc1ccc(NC(=O)c2ccc(Cl)cc2C(=O)c2ccccc2)c(C)c1

Clc1ccc(OCC(=O)NC2CCCCC2)c(c1)C(=O)c1ccccc1

Clc1ccc(OCC(=O)Cc2ccccc2)c(c1)C(=O)c1ccccc1

Clc1ccc(OCc2nc3ccccc3[nH]2)c(c1)C(=O)c1ccccc1

Clc1ccc(OCC(=O)Nc2ccccc2)c(C(=O)c2ccccc2)c1Cl

CCc1cc(OCCCN(C)C)ccc1NC(=O)Cc1ccc(Cl)cc1C(=O)c1ccccc1

[#6]\[#6](-[#6])=[#6]/[#6]-[#8]-c1cc(-[#7]-[#6](=S)-c2ccoc2-[#6])ccc1Cl

c1nc2c(n1[C@H]3CC[C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N=C(NC2=O)N

c1cc2c(cc1Cl)[C@@](OC(=O)N2)(C#CC3CC3)C(F)(F)F

Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O |r,c:21|

Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(C)c1=O |c:21|

CC(C)Nc1cccnc1N2CCN(CC2)C(=O)c3cc4cc(ccc4[nH]3)NS(=O)(=O)C

CCOC(=O)c1c(Sc2cc(C)cc(C)c2)c(CC)c(C)[nH]c1=O

Cc1cc(C)cc(Sc2c(C)c[nH]c(=O)c2N)c1

CCC(=O)Nc1c(Sc2cc(C)cc(C)c2)c(C)c[nH]c1=O

CCc1c(C)[n-]c(=[OH+])c(c1Sc1cc(C)cc(C)c1)[N+]([O-])=O

CC(=O)Nc1c(Sc2cc(C)cc(C)c2)c(C)c[nH]c1=O

Cc1c(Sc2ccccc2)n(COCc2ccccc2)c(=O)[nH]c1=O

Cc1cccc(Sc2c(C)c[n-]c(=[OH+])c2[N+]([O-])=O)c1

Cc1cccc(Sc2c(C)c[nH]c(=O)c2N)c1

CCc1c(C)[nH]c(=O)c(N)c1Sc1cc(C)cc(C)c1

CCc1c(C)[nH]c(=O)cc1Sc1cc(C)cc(C)c1

Cc1cc(C)cc(Sc2c(C)c[n-]c(=[OH+])c2[N+]([O-])=O)c1

CCCCCCCCCCCCCCCC(=O)Nc1ccc(c2cccc(c12)S(O)(=O)=O)S(O)(=O)=O

OS(=O)(=O)c1ccc2c(OS(=O)(=O)c3cccc4c(cccc34)S(=O)(=O)Oc3cc(cc4cc(ccc34)S(O)(=O)=O)S(O)(=O)=O)cc(cc2c1)S(O)(=O)=O

CC(C)CCCC(C)C1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(=O)Nc1cc(cc2cc(cc(O)c12)S(O)(=O)=O)S(O)(=O)=O |t:14|

OS(=O)(=O)c1ccc2c(OC(=O)c3ccc(cc3)-c3ccc(cc3)C(=O)Oc3cc(cc4cc(ccc34)S(O)(=O)=O)S(O)(=O)=O)cc(cc2c1)S(O)(=O)=O

CCCCCCCCCCCCCCCC(=O)Nc1c(O)cc(c2ccccc12)S(O)(=O)=O

CCCCCCCCCCCCCCCC(=O)Nc1c(OC(=O)CCCCCCCCCCCCCCC)cc(c2ccccc12)S(O)(=O)=O

CN1c2cc(Cl)cnc2N(C2CC2)c2ncccc2C1=O

CCN1c2ncccc2N(C)C(=O)c2cccnc12

CCN1c2nc(C)c(C)cc2N(C)C(=O)c2cccnc12

CCN1c2ncccc2N(C)C(=O)c2cc(Br)cnc12

CCN1c2cccnc2N(C)C(=O)c2cccnc12

CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cccc(N)c1

CN1c2ncc(Cl)cc2N(C2CC2)c2ncccc2C1=O

CN1c2nc(Cl)ccc2N(C2CC2)c2ncccc2C1=O

CCN1c2ccc(C)nc2N(C)C(=O)c2cccnc12

CCN1c2cc(C)c(C)nc2N(C)C(=O)c2cc(N)cnc12

CCN1c2cc(C)c(C)nc2N(C)C(=O)c2cccnc12

CCN1c2cc(Br)cnc2N(C)C(=O)c2cccnc12

CCN1c2cccnc2N(C)C(=O)c2cc(N)cnc12

CCN1c2ncccc2N(C)C(=O)c2cc(N)cnc12

CCN1c2ncc(C)cc2N(C)C(=O)c2cccnc12

CCN1c2ncccc2N(C)C(=O)c2ccc(C)nc12

CN1c2ccc(Cl)nc2N(C2CC2)c2ncccc2C1=O

CC(=O)OCCOCn1c2Sc3ccccc3NCc2c(=O)[nH]c1=O

CCOCn1c2Sc3ccccc3NCc2c(=O)[nH]c1=O

CC(=O)OCCOCn1c2Sc3ccccc3NC(c3ccccc3)c2c(=O)[nH]c1=O

CCOCCOCn1c2Sc3ccccc3NCc2c(=O)[nH]c1=O

CC(=O)OCCOCn1c2Sc3ccccc3NC(=O)c2c(=O)[nH]c1=O

OCCOCn1c2Sc3ccccc3NC(c3ccc(cc3)[N+]([O-])=O)c2c(=O)[nH]c1=O

CC(=O)OCCOCn1c2Sc3ccccc3NCc2c(=O)n(C)c1=O

OCCOCn1c2Sc3ccccc3NCc2c(=O)[nH]c1=O

O=c1[nH]c2Sc3ccccc3NCc2c(=O)[nH]1

CN1Cc2c(Sc3ccccc13)n(COCCOC(C)=O)c(=O)[nH]c2=O

OCCOCn1c2Sc3ccccc3NC(c3ccccc3)c2c(=O)[nH]c1=O

NC(=S)c1cn(C2OC(CO)C(O)C2F)c2ncnc(N)c12

NC(=O)c1cn(C2OC(CO)C(O)C2F)c2ncnc(N)c12

Nc1ncnc2n(cc(C#N)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F |r|

Nc1ncnc2n(cc(C#N)c12)[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1F |r|

Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3F)c(Br)c(C#N)c12 |r|

Nc1ncnc2n([C@H]3O[C@H](CO)[C@@H](O)[C@@H]3F)c(Br)c(C#N)c12 |r|

c1ccc(cc1)[C@]23c4ccccc4C(=O)N2CCS3

O=C1N2CCSC2(c2ccccc12)c1cccc2ccccc12

Cc1cccc(c1)[C@@]23c4ccccc4C(=O)N2CCS3

O=C1c2ccccc2[C@@]23CC=CCC12c1ccccc1C3=O |c:11|

O=C1N2CCS[C@@H](c3ccccc23)c2ccccc12 |THB:8:7:1.18.13:5.3.4,11:12:1.18.13:5.3.4|

CC1Cn2c3c(CN1CC=C(C)C)cccc3[nH]c2=S |(15.04,-5.91,;13.5,-5.93,;12.84,-4.55,;11.35,-4.21,;10.14,-5.17,;10.14,-6.71,;11.35,-7.67,;12.84,-7.33,;13.8,-8.55,;13.22,-9.98,;14.18,-11.19,;13.6,-12.63,;15.71,-10.98,;8.81,-7.48,;7.48,-6.71,;7.48,-5.17,;8.81,-4.4,;9.14,-2.88,;10.79,-2.76,;11.7,-1.5,)|

Nc1ccn([C@H]2CS[C@@H](CO)C2)c(=O)n1

Nc1nc(=O)n(cc1F)[C@H]1CS[C@@H](CO)C1

Nc1nc(=O)n(cc1F)[C@@H]1CC[C@H](CO)S1

Nc1ccn([C@@H]2CC[C@H](CO)S2)c(=O)n1

CC(C)C1=C(N(C(=O)NC1=O)COCc2ccccc2)Cc3ccccc3

CCN1c2ncccc2-c2ncc(C)n2-c2ccc(nc12)N1CCC=CC1 |c:28|

CCN1c2ncccc2-c2ncc(C)n2-c2ccc(nc12)N(C)C

Cc1ccnc2N(C3CC3)c3ncccc3-c3nccn3-c12

CCN1c2ncccc2-c2nccn2-c2ccc(OC)nc12

Cc1nnc2-c3cccnc3N(C3CC3)c3ncccc3-n12

CCN1c2ncccc2-c2nccn2-c2ccc(nc12)N(C)C

CCN1c2ncccc2-c2ncc(C)n2-c2cccnc12

CCN1c2ncccc2-c2nc(CC)c(C)n2-c2cccnc12

CCN1c2ncccc2-c2nccn2-c2c(C)ccnc12

CCN1c2ncccc2-c2nc(C)cn2-c2cccnc12

CCN1c2nccc(C)c2NC(=O)c2cccnc12

CCN1c2ncccc2-c2ncc(C)n2-c2c(C)cc(=O)[nH]c12

CCN1c2ncccc2-c2nccn2-c2ccc(nc12)N1CCC=CC1 |c:27|

CCN1c2ncccc2-c2ncc(C)n2-c2ccc(OC)nc12

CCC1Oc2ccccc2-n2cccc2C1=O

CCC1(c2ccccc2)C(=O)c2cccn2-c2ccccc2S1(=O)=O

CCC1(Sc2ccccc2-n2cccc2C1=O)c1ccccc1

CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccccc1

CCC1(Oc2cc3ccccc3cc2-n2cccc2C1=O)c1ccccc1

O=C1C(Sc2ccccc2-n2cccc12)c1ccccc1

CCC1(Sc2c(Cl)cccc2-n2cccc2C1=O)c1ccccc1

CCC1(Sc2cccc(Cl)c2-n2cccc2C1=O)c1ccccc1

CCCC1(CC)Oc2ccccc2-n2cccc2C1=O

C=CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccccc1

CCc1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C

CCC1(c2ccccc2)C(=O)c2cccn2-c2ccccc2S1=O

CCCC1(Oc2ccccc2-n2cccc2C1=O)c1ccccc1

CC1(Sc2ccccc2-n2cccc2C1=O)c1ccccc1

O=C1C(Oc2cc3ccccc3cc2-n2cccc12)c1ccccc1

[#6]\[#6](-[#6])=[#6]\[#6]C1([#8]-c2ccccc2-n2cccc2-[#6]1=O)c1ccccc1

CC1(Oc2ccccc2-n2cccc2C1=O)c1ccccc1

CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc2ccccc2c1

O=C1C(Oc2ccccc2-n2cccc12)c1ccccc1

O=C1C(Oc2ccccc2-n2cccc12)c1ccc2ccccc2c1

CCC1(Sc2ccc(C)cc2-n2cccc2C1=O)c1ccccc1

CCC1(CC=C)Oc2ccccc2-n2cccc2C1=O

O=C1c2cccn2-c2ccccc2OC1(CC1CC1)c1ccccc1

CN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NC(C)(C)C

CC(C)Oc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2ccccc2[nH]1

CC(C)Oc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1

CC(C)(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1

CC(C)Nc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2ccccc2[nH]1

CCNc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2ccccc2[nH]1

CC(C)Oc1cccnc1N1CCN(CC1)C(=O)c1cc2ccccc2[nH]1

CCOc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2ccccc2[nH]1

CCOc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1

CCNc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(OC)ccc2[nH]1

CC(C)Nc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1

CCOc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1

CCNc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1

CCOc1cccnc1N1CCN(CC1)C(=O)c1cc2ccccc2[nH]1

CC(C)Oc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1

CCCc1cc(=O)oc2c3C(=O)[C@@H](C)[C@@H](C)Oc3c3C=CC(C)(C)Oc3c12 |c:20|

CCCc1cc(=O)oc2c3[C@@H](O)[C@H](C)[C@@H](C)Oc3c3C=CC(C)(C)Oc3c12 |r,c:20|

CCCc1cc(=O)oc2c3[C@H](O)C(C)(C)[C@@H](C)Oc3c3C=CC(C)(C)Oc3c12 |c:21|

CCCc1cc(=O)oc2c3C(=O)[C@H](C)[C@@H](C)Oc3c3C=CC(C)(C)Oc3c12 |c:20|

CCCc1cc(=O)oc2c3[C@@H](O)[C@@H](C)COc3c3C=CC(C)(C)Oc3c12 |c:19|

CCCc1cc(=O)oc2c3[C@H](O)[C@@H](C)C(C)(C)Oc3c3C=CC(C)(C)Oc3c12 |c:21|

CCCc1cc(=O)oc2c3[C@@H](O)[C@H](C)[C@@H](CC)Oc3c3C=CC(C)(C)Oc3c12 |c:21|

CCCc1cc(=O)oc2c3[C@H](O)[C@H](C)[C@@H](CC)Oc3c3C=CC(C)(C)Oc3c12 |c:21|

Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)n(CC2COC(C)(C)O2)c1=O

Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)n(CC2CC(CO)=NO2)c1=O |c:23|

Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)n(N)c1=O

CCOC(Cn1c(=O)c(C)cn(C2CC(N=[N+]=[N-])C(CO)O2)c1=O)OCC

CCOP(=O)(Cn1c(=O)c(C)cn(C2CC(N=[N+]=[N-])C(CO)O2)c1=O)OCC

COc1nc(=O)n(CCn2c(=O)c(C)cn(C3CC(N=[N+]=[N-])C(CO)O3)c2=O)cc1C

Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)n(CCN2C(=O)c3ccccc3C2=O)c1=O

Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)n(CCCO)c1=O

Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)n(Cc2ccoc2)c1=O

Cc1cn(C2CC(C(CO)O2)n2c(=O)c(C)cn(C3CC(N=[N+]=[N-])C(CO)O3)c2=O)c(=O)[nH]c1=O

Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)n(CCO)c1=O

Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)n(CCn2c(=O)c(C)cn(C3CC(N=[N+]=[N-])C(CO)O3)c2=O)c1=O

CCOC(=O)Cn1c(=O)c(C)cn(C2CC(N=[N+]=[N-])C(CO)O2)c1=O

Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)n(CCCCCCO)c1=O

Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)n(CC=C)c1=O

COCCOCn1c(=O)c(C)cn(C2CC(N=[N+]=[N-])C(CO)O2)c1=O

Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)n(CCN=[N+]=[N-])c1=O

Nc1ncnc2n(C\C=C\CCOCP(O)(O)=O)cnc12

[O-]C(=O)P([O-])([O-])=O

CCCOn1c(Sc2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]c1=O

Fc1cccc(F)c1Cn1c(nc2ccccc12)-c1c(F)cccc1F |(-3.45,3.05,;-4.22,1.72,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;-3.45,.39,;-1.91,.34,;-1.14,1.68,;.39,1.52,;1.02,2.92,;-.12,3.95,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|

Cc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(1.21,6.27,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;-1.14,1.68,;-1.91,.34,;-3.45,.39,;-4.22,1.72,;-3.45,3.05,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;.39,1.52,;1.02,2.92,;-.12,3.95,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|

Fc1cccc(F)c1C1SCc2nc3ccccc3n12

CC1Cn2c3c(CN1)cccc3[nH]c2=O

Fc1cccc(F)c1-c1nc2ccccc2n1Cc1ccccc1 |(12.79,-8.1,;13.56,-6.77,;15.1,-6.77,;15.87,-5.44,;15.08,-4.11,;13.54,-4.11,;12.76,-2.78,;12.79,-5.44,;11.25,-5.44,;10.34,-4.21,;8.87,-4.7,;7.54,-3.92,;6.21,-4.7,;6.21,-6.25,;7.54,-7.01,;8.87,-6.24,;10.36,-6.7,;10.83,-8.17,;9.82,-9.32,;10.31,-10.76,;9.29,-11.92,;7.78,-11.6,;7.29,-10.15,;8.31,-8.99,)|

Fc1cccc(F)c1Cn1c(nc2ccccc12)-c1ccccc1

Cc1cccc2n(Cc3ccccc3)c(nc12)-c1c(F)cccc1F |(7.92,-7.8,;7.93,-9.34,;6.6,-10.13,;6.6,-11.67,;7.93,-12.44,;9.27,-11.65,;10.74,-12.12,;11.23,-13.59,;10.2,-14.73,;8.7,-14.42,;7.68,-15.57,;8.17,-17.03,;9.68,-17.34,;10.69,-16.19,;11.65,-10.87,;10.73,-9.62,;9.27,-10.11,;13.18,-10.86,;13.96,-12.19,;13.19,-13.53,;15.5,-12.19,;16.26,-10.85,;15.48,-9.5,;13.94,-9.53,;13.16,-8.2,)|

Cc1c(Sc2cccc(O)c2)n(COCCO)c(=O)[nH]c1=O

CCOCn1c(Sc2ccccc2)c(C(C)C)c(=O)[nH]c1=S

CC(C)c1c(Sc2ccccc2)n(COCc2ccccc2)c(=S)[nH]c1=O

CC(C)c1c(Cc2ccccc2)n(COCCO)c(=O)[nH]c1=O

CCOCn1c(Sc2ccccc2)c(C2CC2)c(=O)[nH]c1=O

CCOCn1c(Cc2cc(C)cc(C)c2)c(CC)c(=O)[nH]c1=O

CCc1c(Sc2cc(C)cc(C)c2)n(COCc2ccccc2)c(=O)[nH]c1=O

Cc1c(Sc2cccc(F)c2)n(COCCO)c(=O)[nH]c1=O

CCc1c(Sc2ccccc2)n(COCCc2ccccc2)c(=S)[nH]c1=O

OCCOCn1c(Sc2ccccc2)c(I)c(=O)[nH]c1=O

CCc1c(Sc2ccccc2)n(COCC2CCCCC2)c(=O)[nH]c1=O

CC(C)c1c(Sc2cc(C)cc(C)c2)n(COCCO)c(=O)[nH]c1=O

Cc1c(Sc2cc(Cl)cc(Cl)c2)n(COCCO)c(=O)[nH]c1=O

CC(C)c1c(Sc2ccccc2)n(COCCO)c(=O)[nH]c1=O

Cc1c(Sc2ccc(cc2)C2CCCCC2)n(COCCO)c(=O)[nH]c1=O

CC(C)c1c(Sc2ccccc2)n(COCCO)c(=S)[nH]c1=O

CCc1c(Cc2ccccc2)n(COCCO)c(=O)[nH]c1=O

Cc1c(Sc2cccc(I)c2)n(COCCO)c(=O)[nH]c1=O

CCc1c(Sc2ccccc2)n(CC(C)C)c(=S)[nH]c1=O

CCOCn1c(Sc2cc(Cl)cc(Cl)c2)c(CC)c(=O)[nH]c1=S

Cc1c(Sc2cccc(Br)c2)n(COCCO)c(=O)[nH]c1=O

CCc1c(Sc2ccccc2)n(COCc2ccccc2)c(=S)[nH]c1=O

CCc1c(Sc2ccccc2)n(COC2CCCCC2)c(=S)[nH]c1=O

CCc1c(Sc2ccccc2)n(COCC2CCCCC2)c(=S)[nH]c1=O

Cc1c(Sc2ccccc2[N+]([O-])=O)n(COCCO)c(=O)[nH]c1=O

CC(C)c1c(Sc2ccccc2)n(COCc2ccccc2)c(=O)[nH]c1=O

CCc1c(Sc2cc(Cl)cc(Cl)c2)n(COCCO)c(=O)[nH]c1=O

CCc1c(Sc2cc(Cl)cc(Cl)c2)n(COCCO)c(=S)[nH]c1=O

CCc1c(Sc2ccccc2)n(C\C=C\c2ccccc2)c(=O)[nH]c1=O

CCc1c(Sc2ccccc2)n(C\C=C\c2cccs2)c(=O)[nH]c1=O

CCOCn1c(Cc2ccccc2)c(CC)c(=O)[nH]c1=O

Cc1cc(C)cc(Sc2c(C)c(=O)[nH]c(=S)n2COCCO)c1

CCc1c(Sc2ccccc2)n(C\C=C\c2ccco2)c(=O)[nH]c1=O

CCc1c(Sc2cc(C)cc(C)c2)n(C\C=C\c2ccco2)c(=O)[nH]c1=O

COC(=O)c1cccc(Sc2c(C)c(=O)[nH]c(=O)n2COCCO)c1

CC(C)c1c(Cc2ccccc2)n([Au])c(=O)[nH]c1=O

CCc1cccc(Sc2c(C)c(=O)[nH]c(=O)n2COCCO)c1

CCc1c(Cc2cc(C)cc(C)c2)n(COCCO)c(=O)[nH]c1=O

Cc1cc(C)cc(Sc2c(C)c(=O)[nH]c(=O)n2COCCO)c1

Cc1c(Oc2ccccc2)n(COCCO)c(=O)[nH]c1=O

CCOCn1c(Sc2cc(C)cc(C)c2)c(CC)c(=O)[nH]c1=S

CCCOCn1c(Sc2ccccc2)c(C)c(=O)[nH]c1=O

CCc1c(Sc2ccccc2)n(COC2CCCCC2)c(=O)[nH]c1=O

Cc1c(Sc2cccc(Cl)c2)n(COCCO)c(=O)[nH]c1=O

CCc1c(Sc2cc(C)cc(C)c2)n(C\C=C\c2cccs2)c(=O)[nH]c1=O

CCc1c(Sc2ccccc2)n(COCc2ccc(Cl)cc2)c(=S)[nH]c1=O

CCc1c(Cc2ccccc2)n(CCOC)c(=O)[nH]c1=O

Cc1c(Sc2ccccc2)n(C\C=C\c2ccccc2)c(=O)[nH]c1=O

Cc1c(Sc2cccc(c2)C#N)n(COCCO)c(=O)[nH]c1=O

Cc1c(Sc2cccc(c2)C(F)(F)F)n(COCCO)c(=O)[nH]c1=O

Cc1c(Sc2ccccc2)n(C[O-])c(=O)[nH]c1=O

CCOCn1c(Sc2ccccc2)c(CC)c(=O)[nH]c1=S

CCc1c(Sc2cc(C)cc(C)c2)n(C\C=C\c2ccccc2)c(=O)[nH]c1=O

CCc1c(Sc2cc(C)cc(C)c2)n(COCc2ccccc2)c(=S)[nH]c1=O

COCCn1c(Cc2ccccc2)c(C(C)C)c(=O)[nH]c1=O

CCOCn1c(Sc2ccccc2)c(CC)c(=O)[nH]c1=O

OCCOCn1c(Sc2ccccc2)c(C=C)c(=O)[nH]c1=O

COc1ccccc1Sc1c(C)c(=O)[nH]c(=O)n1COCCO

CC(C)c1c(Cc2cc(C)cc(C)c2)n(COCCO)c(=O)[nH]c1=O

CCOCn1c(Sc2ccccc2)c(C2CC2)c(=O)[nH]c1=S

CCOCN1C(=C(C(=O)NC1=O)C(C)C)Cc2cc(cc(c2)C)C

CC(=O)c1cccc(Sc2c(C)c(=O)[nH]c(=O)n2COCCO)c1

CCc1c(Sc2ccccc2)n(COCc2ccccc2)c(=O)[nH]c1=O

Cc1cccc(Sc2c(C)c(=O)[nH]c(=O)n2COCCO)c1

Cc1ccccc1Sc1c(C)c(=O)[nH]c(=O)n1COCCO

CCOCn1c(Sc2ccccc2)c(C(C)C)c(=O)[nH]c1=O

CCc1c(Sc2cc(C)cc(C)c2)n(COCCO)c(=S)[nH]c1=O

CCn1c(Sc2ccccc2)c(C)c(=O)[nH]c1=O

Cc1ccc(Sc2c(C)c(=O)[nH]c(=O)n2COCCO)cc1

CCOCn1c(Sc2cc(C)cc(C)c2)c(CC)c(=O)[nH]c1=O

CCOCn1c(Sc2cc(Cl)cc(Cl)c2)c(CC)c(=O)[nH]c1=O

CCOCn1c(Sc2ccccc2)c(C)c(=O)[nH]c1=O

COCCOCn1c(Sc2ccccc2)c(C)c(=O)[nH]c1=O

CCc1c(Sc2ccccc2)n(COCc2ccc(C)cc2)c(=S)[nH]c1=O

COc1cccc(Sc2c(C)c(=O)[nH]c(=O)n2COCCO)c1

Cc1c(Sc2cccc(c2)[N+]([O-])=O)n(COCCO)c(=O)[nH]c1=O

CCc1c(Sc2ccccc2)n(CC(C)C)c(=O)[nH]c1=O

CCc1c(Cc2ccccc2)n([Au])c(=O)[nH]c1=O

CC(C)c1c(Sc2cc(C)cc(C)c2)n(COCCO)c(=S)[nH]c1=O

CCc1c(Sc2ccccc2)n(CCCc2ccccc2)c(=O)[nH]c1=O

Cc1c(Sc2cccc(c2)C(C)(C)C)n(COCCO)c(=O)[nH]c1=O

CCCCn1c(Sc2ccccc2)c(C)c(=O)[nH]c1=O

CCc1c(Sc2ccccc2)n(COCCO)c(=O)[nH]c1=O

Cc1c(Sc2ccccc2)n(CC=Cc2cccnc2)c(=O)[nH]c1=O |w:13.14|

CCc1c(Sc2cc(C)cc(C)c2)n(COCCO)c(=O)[nH]c1=O

COCn1c(Sc2ccccc2)c(C)c(=O)[nH]c1=O

CCc1c(Sc2ccccc2)n(COCCc2ccccc2)c(=O)[nH]c1=O

Cc1c(Cc2ccccc2)n(COCCO)c(=O)[nH]c1=O

Nc1nc2n(\C=C3/CC3CO)cnc2c(=O)[nH]1

Nc1ncnc2n(\C=C3/CC3CO)cnc12

Nc1ncnc2n(\C=C3\CC3CO)cnc12

Nc1nc2n(\C=C3\CC3CO)cnc2c(=O)[nH]1

Nc1nc(Cl)c2n(\C=C3\CC3CO)cnc2n1

Nc1nc(Cl)c2ncn(\C=C3/CC3CO)c2n1

FC(F)(F)c1cc(Cn2c(Br)nc3cc(Cl)c(Cl)cc23)cc(c1)C(F)(F)F

Cc1cccc(Cn2c(Br)nc3cc(Cl)c(Cl)cc23)c1

COc1ccc(Cn2c(Br)nc3cc(Cl)c(Cl)cc23)cc1

[O-][N+](=O)c1cccc(Cn2c(Br)nc3cc(Cl)c(Cl)cc23)c1

Nc1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(Cl)cc1

Cc1ccc(Cn2c(Cl)nc3cc(Cl)c(Cl)cc23)cc1

[O-][N+](=O)c1ccc(Cn2c(Cl)nc3cc(Cl)c(Cl)cc23)cc1

Clc1ccc(Cn2c(Br)nc3cc(Cl)c(Cl)cc23)cc1Cl

Nc1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(cc1)C(F)(F)F

C[C@@H](c1cc2ccoc2cn1)Sc3nc(cc(n3)Cl)N

C[C@H](Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1

C[C@@H](Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1

CCOC(=O)N[C@@H](C(C)C)C(=O)NN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(cc1)-c1cncs1

COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1cncs1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C

COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1nccs1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C

COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1nccs1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C

COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C

CCC(C)[C@H](NC(=O)OC)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)C

COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1cncs1)NC(=O)[C@@H](NC(=O)OC)C(C)C

COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)C

COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1cncs1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C

CCOC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CC1CCCCC1)NC(=O)[C@@H](NC(=O)OCC)C(C)C |r|

COC(=O)N[C@@H](C(C)C)C(=O)NN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(cc1)-c1cncs1

COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C |r|

COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1nnn(C)n1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C

CCOC(=O)N[C@@H](C(C)C)C(=O)NN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)C)Cc1ccc(cc1)-c1ccccn1

COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C

COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C

COC(=O)N[C@@H](C(C)C)C(=O)NN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(cc1)-c1ccccc1

COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)C

COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1nnn(n1)C(C)(C)C)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C

CCN(CC)c1ccc(CN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)cc1

COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CCC(C)C)NC(=O)[C@@H](NC(=O)OC)C(C)C

COC(=O)N[C@@H](C(C)C)C(=O)NN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(cc1)-c1ccccn1

Nc1cc(Cl)nc(SCc2ccccc2)n1

COc1cccc(CSc2nc(N)cc(Cl)n2)c1

CCN(CC)C(=O)\C=C\CSc1nc(N)cc(Cl)n1

CN(C)C(=O)\C=C\CSc1nc(N)cc(Cl)n1

Nc1cc(nc(SCc2ccc3ccccc3c2)n1)C(F)(F)F

Nc1cc(Cl)nc(SCc2cccc(Br)c2)n1

Nc1cc(Cl)nc(SCc2ccc3ccccc3c2)n1

COC(=O)\C=C\CSc1nc(N)cc(Cl)n1

Nc1cc(Cl)nc(SCc2cc3OCOc3cc2Cl)n1

Nc1cc(Cl)nc(SCC2=CCCc3ccccc23)n1 |t:9|

Cc1cccc(CSc2nc(N)cc(Cl)n2)c1

Nc1cc(Cl)nc(SC\C=C\c2ccccc2)n1

Nc1cc(Cl)nc(SCc2ccc(Cl)c(Cl)c2)n1

COC(=O)c1cccc(CSc2nc(N)cc(Cl)n2)c1

NC(=O)c1c(N)sc2CCCCCc12

Cc1cc(cc(c1Nc2ccnc(n2)Nc3ccc(cc3)C#N)C)/C=C/C#N

CC(C)Oc1ccc2cccnc2c1-c1cccc2cccnc12 |(37.78,-7.67,;36.45,-8.45,;36.46,-9.99,;35.11,-7.68,;33.78,-8.46,;33.79,-10.01,;32.45,-10.78,;31.11,-10.01,;29.78,-10.78,;28.45,-10.01,;28.45,-8.46,;29.79,-7.69,;31.12,-8.47,;32.45,-7.69,;32.44,-6.15,;33.77,-5.38,;33.76,-3.84,;32.43,-3.08,;31.09,-3.87,;29.76,-3.12,;28.44,-3.89,;28.46,-5.43,;29.79,-6.18,;31.1,-5.4,)|

CC(C)Oc1ccc2cccnc2c1-c1cccc2ccccc12 |(11.63,-5.99,;10.3,-5.22,;10.3,-3.68,;8.96,-5.99,;7.63,-5.22,;7.62,-3.68,;6.28,-2.91,;4.95,-3.7,;3.62,-2.95,;2.3,-3.73,;2.32,-5.27,;3.65,-6.01,;4.96,-5.24,;6.3,-5.99,;6.3,-7.53,;7.64,-8.29,;7.64,-9.84,;6.31,-10.62,;4.97,-9.84,;3.64,-10.61,;2.31,-9.85,;2.31,-8.3,;3.64,-7.53,;4.97,-8.3,)|

[#6]-[#8]-[#6](=O)-[#6]-[#6]-[#6]\[#6]=[#6](\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]

Cc1cn(C2OC(CNC(=O)CC3(C)CC(O)CN3)C=C2)c(=O)[nH]c1=O |c:20|

Cc1cn(C2OC(CNC(=O)CC3(C)CC(O)CN3C(=O)OC(C)(C)C)C=C2)c(=O)[nH]c1=O |c:27|

Cc1cn(C2OC(CNC(=O)CC3(C)CC(CN3C(=O)OC(C)(C)C)O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C=C2)c(=O)[nH]c1=O |c:46|

Cc1cn(C2CC(O)C(CNC(=O)CC3(C)CC(O)CN3)O2)c(=O)[nH]c1=O

Cc1cn(C2CC(O[Si](C)(C)C(C)(C)C)C(CNC(=O)CC3(C)CC(CN3C(=O)OC(C)(C)C)O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)c(=O)[nH]c1=O

CSCSc1nc(Cc2ccccc2)c(C)c(=O)[nH]1

CSCSc1nc(Cc2ccccc2)c(C(C)C)c(=O)[nH]1

CSCSc1nc(Cc2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]1

CCc1c(Cc2ccccc2)nc(SCSC)[nH]c1=O

CCOc1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(cn2)C#N)c1Cl

Fc1cccc(F)c1[C@H]1C[C@H]1NC(=O)Nc1ccc(Cl)cn1

COc1ccc(C(C)=O)c(F)c1CCNC(=O)Nc1ccc(Cl)cn1

CN(C)c1ccc(F)c(CCNC(=O)Nc2ccc(Br)cn2)c1F

C[C@H]1C(Cl)n2c3c(CN1CC=C(C)C)cccc3[nH]c2=S |wD:1.0,(15.35,-13.04,;14.11,-13.39,;13.57,-11.93,;14.63,-10.79,;12.02,-11.48,;10.69,-12.43,;10.69,-14,;11.82,-14.79,;13.37,-14.48,;14.08,-15.54,;15.35,-15.46,;16.05,-16.52,;15.48,-17.66,;17.32,-16.44,;9.36,-14.77,;8.01,-14.01,;8.01,-12.44,;9.36,-11.66,;9.34,-10.13,;11.74,-9.87,;12.51,-8.86,)|

CCOc1ccc(OC)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Br)cn2)c1F

Brc1ccc(NC(=S)NCCc2ccccn2)nc1

COc1ccc(OC)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1F

CCOc1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1Cl

CCOc1ccc(Cl)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1F

CCOc1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1F

CCOc1ccc(OC)c(CCNC(=O)Nc2ccc(Cl)cn2)c1F

COc1ccc(OC)c(CCNC(=O)Nc2ccc(Cl)cn2)c1F

CCOc1ccc(F)c(CCNC(=O)Nc2ccc(Br)cn2)c1Cl

Fc1cccc(F)c1CCNC(=O)Nc1ccc(Cl)cn1

S=C(NCCc1ccccc1)Nc1nccs1

Cc1cc(nn1-c1ccccc1)-c1c(O)c2c(oc1=O)c1ccccc1oc2=O

CC(=O)c1c(O)c2c(oc1=O)c1ccccc1oc2=O

Cc1ccc2c(c1)oc(=O)c1c(O)cc(=O)oc21

Oc1cc(=O)oc2c3c(ccc4ccccc34)oc(=O)c12

CC(=O)c1c(O)c2c(oc1=O)c1cccc(C)c1oc2=O

CC(=O)CC(=O)c1c(O)c2c(oc1=O)c1ccccc1oc2=O

Cc1cc(=O)c2c(o1)c1c(oc2=O)c2ccccc2oc1=O

Oc1c(C2=Nc3ccc(cc3N=CC2)C(=O)c2ccccc2)c(=O)oc2c3ccccc3oc(=O)c12 |c:12,t:3|

Cc1ccc2oc(=O)c3cc(C4=Nc5ccc(cc5N=CC4)C(=O)c4ccccc4)c(=O)oc3c2c1 |c:20,t:11|

Oc1cc(=O)oc2c3ccc4ccccc4c3oc(=O)c12

CC(=O)CC(=O)c1c(O)c2c(oc1=O)c1ccc3ccccc3c1oc2=O

Cc1cccc2c1oc(=O)c1c(O)cc(=O)oc21

CC(=O)c1c(O)c2c(oc1=O)c1cc(C)ccc1oc2=O

Cc1ccc2oc(=O)c3c(O)cc(=O)oc3c2c1

CC(=O)c1c(O)c2c(oc1=O)c1ccc(C)cc1oc2=O

CC(=O)CC(=O)c1c(O)c2c(oc1=O)c1c(ccc3ccccc13)oc2=O

CCOC(=O)C(=O)CC(=O)C=Cc1cccn1Cc1ccc(F)cc1 |w:10.9|

C1CC1N1c2ncccc2C=Cc2cccnc12 |c:12|

CCN1c2ncccc2C=Cc2cccnc12 |c:10|

OC(=O)c1ccccc1NC(=O)CCCCC(=O)Nc1ccccc1C(O)=O

OC(=O)c1cc(Br)ccc1NC(=O)c1ccnc(c1)C(=O)Nc1ccc(Br)cc1C(O)=O

OC(=O)c1cc(ccc1NC(=O)CCCCC(=O)Nc1ccc(cc1C(O)=O)C(F)(F)F)C(F)(F)F

OC(=O)c1cc(Br)ccc1NC(=O)CCCCC(=O)Nc1ccc(Br)cc1C(O)=O

OC(=O)c1cc(O)ccc1NC(=O)CCCCC(=O)Nc1ccc(O)cc1C(O)=O

OC(=O)c1cc(F)ccc1NC(=O)CCCCC(=O)Nc1ccc(F)cc1C(O)=O

CSc1ccc(NC(=O)CCCCC(=O)Nc2ccc(SC)cc2C(O)=O)c(c1)C(O)=O

Cc1ccc(NC(=O)CCCCC(=O)Nc2ccc(C)cc2C(O)=O)c(c1)C(O)=O

OC(=O)c1cc(Br)ccc1NC(=O)CCCCC(=O)Nc1ccc(Br)cc1

OC(=O)c1cc(Br)ccc1NC(=O)CCCCCC(=O)Nc1ccc(Br)cc1C(O)=O

OC(=O)c1cc(ccc1NC(=O)CCCCC(=O)Nc1ccc(cc1C(O)=O)C#N)C#N

OC(=O)c1cc(Br)ccc1NC(=O)CCCC(=O)Nc1ccc(Br)cc1C(O)=O

OC(=O)c1cc(Cl)ccc1NC(=O)CCCC(=O)Nc1ccc(Cl)cc1C(O)=O

OC(=O)c1cc(Br)ccc1NC(=O)Cc1cccc(c1)C(=O)Nc1ccc(Br)cc1C(O)=O

OC(=O)c1cc(Cl)ccc1NC(=O)CCCCCC(=O)Nc1ccc(Cl)cc1C(O)=O

OC(=O)c1cc(I)ccc1NC(=O)CCCCC(=O)Nc1ccc(I)cc1C(O)=O

OC(=O)c1cc(Br)ccc1NC(=O)CCCCCCC(=O)Nc1ccc(Br)cc1C(O)=O

CC(=O)Nc1ccc(NC(=O)CCCCC(=O)Nc2ccc(NC(C)=O)cc2C(O)=O)c(c1)C(O)=O

OC(=O)c1cc(Cl)ccc1NC(=O)CCCCC(=O)Nc1ccc(Cl)cc1C(O)=O

OC(=O)c1cc(Br)ccc1NC(=O)c1ccc(nc1)C(=O)Nc1ccc(Br)cc1C(O)=O

OC(=O)c1cc(Br)ccc1NC(=O)c1cccc(c1)C(=O)Nc1ccc(Br)cc1C(O)=O

COc1ccc(NC(=O)CCCCC(=O)Nc2ccc(OC)cc2C(O)=O)c(c1)C(O)=O

Oc1cnc2c(O)ccc(O)c2c1O

On1c(=O)[nH]c2cc(NC(=O)c3ccc(cc3)C(F)(F)F)ccc2c1=O

On1c(=O)[nH]c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2c1=O

On1c(=O)[nH]c2cc(NC(=O)c3ccc(F)cc3)ccc2c1=O

Cc1ccc(cc1)C(=O)Nc1ccc2c(c1)[nH]c(=O)n(O)c2=O

On1c(=O)[nH]c2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc2c1=O

CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2c(c1)[nH]c(=O)n(O)c2=O

On1c(=O)[nH]c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2c1=O

On1c(=O)[nH]c2ccc(NC(=O)c3ccccc3F)cc2c1=O

On1c(=O)[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc2c1=O

On1c(=O)[nH]c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2c1=O

On1c(=O)[nH]c2cc(NC(=O)c3ccccc3)ccc2c1=O

Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1ccc2c(c1)[nH]c(=O)n(O)c2=O

On1c(=O)[nH]c2cc(NS(=O)(=O)c3ccc(cc3)-c3ccccc3)ccc2c1=O

On1c(=O)[nH]c2ccc(NS(=O)(=O)c3cccc(c3)C(F)(F)F)cc2c1=O

Cc1cccc(c1)S(=O)(=O)Nc1ccc2c(c1)[nH]c(=O)n(O)c2=O

On1c(=O)[nH]c2cc(NS(=O)(=O)c3cccc(c3)C(F)(F)F)ccc2c1=O

On1c(=O)[nH]c2cc(NC(=O)c3cccc(F)c3)ccc2c1=O

On1c(=O)cc([nH]c1=O)C(=O)c1ccc(cc1)-c1ccc(Cl)c(F)c1

COC(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)c1cc(=O)n(O)c(=O)[nH]1

CCOCn1c(cc(=O)n(O)c1=O)C(C#N)c1cc(C)cc(C)c1

CCOCn1c(cc(=O)n(O)c1=O)C(=O)c1ccc(cc1)-c1ccccc1

COc1ccc(cc1OC)-c1ccc(cc1)C(=O)c1cc(=O)n(O)c(=O)[nH]1

COc1ccc(cc1)-c1ccc(cc1)C(=O)c1cc(=O)n(O)c(=O)[nH]1

On1c(=O)cc([nH]c1=O)C(=O)c1cccc(c1)-c1ccccc1

Cc1cc(C)cc(c1)-c1ccc(cc1)C(=O)c1cc(=O)n(O)c(=O)[nH]1

On1c(=O)cc([nH]c1=O)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F

Cc1ccc(cc1)-c1ccc(cc1)C(=O)c1cc(=O)n(O)c(=O)[nH]1

COC(=O)c1ccc(cc1)C(=O)c1cc(=O)n(O)c(=O)[nH]1

On1c(=O)cc([nH]c1=O)C(=O)c1ccc(F)cc1

On1c(=O)cc([nH]c1=O)C(=O)c1ccc(cc1)C(F)(F)F

Cc1cc(ccc1F)-c1ccc(cc1)C(=O)c1cc(=O)n(O)c(=O)[nH]1

CCOCn1c(cc(=O)n(O)c1=O)C(=O)c1cccc(c1)-c1ccccc1

On1c(=O)cc([nH]c1=O)C(=O)c1ccc(cc1)-c1ccc(F)cc1

On1c(=O)cc([nH]c1=O)C(=O)c1ccc(cc1)-c1ccc(cc1)C#N

On1c(=O)cc([nH]c1=O)C(=O)c1ccc(cc1)-c1ccccc1

Cc1cc(C)cc(c1)C(=O)c1cc(=O)n(O)c(=O)[nH]1

Cc1ccc(cc1)C(=O)c1cc(=O)n(O)c(=O)[nH]1

CCOCn1c(cc(=O)n(O)c1=O)C(C#N)c1ccc(cc1)-c1ccccc1

CC1(C)C2CC1CC(CNC(=S)Nc1ccc(Br)cn1)C2

Brc1ccc(NC(=S)NCC23CC4CC(CC(C4)C2)C3)nc1 |TLB:13:14:18:12.11.17,17:12:19:16.18.15,17:16:19:12.11.13,THB:13:12:18:14.19.15|

FC(F)(F)c1ccc(NC(=S)NCCC2=CCCCC2)nc1 |t:14|

Clc1ccc(NC(=S)NCCC2=CCCCC2)nc1 |t:11|

Brc1ccc(NC(=S)NCCC2=CCCCC2)nc1 |t:11|

CCCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1CC

COCc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1

COC(=O)c1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1

CC(C)Cc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1

CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1COC

CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NC(C)C

CN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1CO

CCc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1

CCCc1cccnc1N(CC)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1

CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1CC(C)C

CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1CC

CCNc1cccnc1N(CC)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1

CCC1(Oc2ccccc2-n2cccc2C1=O)c1cccc(C)c1

CCC1(Oc2ccccc2-n2cccc2C1=O)c1cc(F)cc(F)c1

CCC1(Oc2cccnc2-n2cccc2C1=O)c1ccccc1

CCC1(Oc2ccccc2-n2cccc2C1=O)c1cccc(OC)c1

CCC1(Oc2ccccc2-n2cccc2C1=O)c1cccc(F)c1

CCC1(Oc2ccccc2-n2cccc2C1=O)c1cccs1

CCC1(Oc2cccnc2-n2cccc2C1=O)c1cccc(C)c1

CCC1(Oc2cccnc2-n2cccc2C1=O)c1cccs1

CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(C)cc1

Fc1ccccc1CCNC(=S)Nc1ccc(Br)cn1

Brc1ccc(NC(=S)NCCc2cccs2)nc1

Brc1ccc(NC(=S)NCCc2ccco2)nc1

Brc1ccc(NC(=S)NCCN2CCCCC2)nc1

Brc1ccc(NC(=S)NCCN2CCCC2)nc1

CN1CCCC1CCNC(=S)Nc1ccc(Br)cn1

Brc1ccc(NC(=S)NCCc2cnc[nH]2)nc1

Brc1ccc(NC(=S)NCCc2ccc3OCOc3c2)nc1

Brc1ccc(NC(=S)NCCc2c[nH]c3ccccc23)nc1

Brc1ccc(NC(=S)NCCN2CCOCC2)nc1

COc1ccc(OC)c(CCNC(SCc2ccccc2)=Nc2ccc(Br)cn2)c1 |w:21.22|

Brc1ccc(NC(=S)NCCc2ccccc2)nc1

COc1ccc(OC)c(CCNC(=S)Nc2ccc(Br)cn2)c1

COc1ccc(CCNC(=S)Nc2ccc(Br)cn2)cc1

Clc1ccccc1CCNC(=S)Nc1ccc(Br)cn1

Fc1ccccc1CCNC(SCc1ccccc1)=Nc1ccc(Br)cn1 |w:19.21|

Fc1ccc(CCNC(=S)Nc2ccc(Br)cn2)cc1

Fc1cccc(CCNC(=S)Nc2ccc(Br)cn2)c1

COc1cccc(CCNC(=S)Nc2ccc(Br)cn2)c1

COc1ccccc1CCNC(=S)Nc1ccc(Br)cn1

CSC(NCCc1ccccc1Cl)=Nc1ccc(Br)cn1 |w:13.14|

Clc1ccccc1CCNC(SCc1ccccc1)=Nc1ccc(Br)cn1 |w:19.21|

COc1cc(OC)cc(c1)-c1cccc(Nc2cc(=O)n(O)c(=O)n2C)c1

Cc1ccc(cc1)-c1ccc(Nc2cc(=O)n(O)c(=O)[nH]2)cc1

On1c(=O)cc(Nc2ccc(cc2)-c2ccc(Cl)cc2)[nH]c1=O

COc1cccc(c1)-c1ccc(Nc2cc(=O)n(O)c(=O)n2C)cc1

COc1ccccc1-c1ccc(Oc2cc(=O)n(O)c(=O)n2C)cc1

Cn1c(Oc2cccc(c2)-c2cccc(c2)C#N)cc(=O)n(O)c1=O

Cn1c(Nc2ccc(cc2)-c2ccccc2)cc(=O)n(O)c1=O

COc1ccc(cc1)-c1cccc(Nc2cc(=O)n(O)c(=O)n2C)c1

Cn1c(Nc2ccc(cc2)-c2ccc(cc2)C#N)cc(=O)n(O)c1=O

COc1ccc(cc1)-c1cccc(Nc2cc(=O)n(O)c(=O)[nH]2)c1

Cn1c(Oc2cccc(c2)-c2ccccc2)cc(=O)n(O)c1=O

Cn1c(Oc2ccccc2-c2ccccc2)cc(=O)n(O)c1=O

COc1ccccc1-c1ccc(Nc2cc(=O)n(O)c(=O)n2C)cc1

COc1ccc(c(OC)c1)-c1ccc(Nc2cc(=O)n(O)c(=O)n2C)cc1

Oc1cccc(c1)-c1ccc(Nc2cc(=O)n(O)c(=O)[nH]2)cc1

Cn1c(Oc2cccc(c2)-c2ccc(cc2)C#N)cc(=O)n(O)c1=O

Cn1c(Nc2cccc(c2)-c2cccc(c2)C#N)cc(=O)n(O)c1=O

Cn1c(Oc2ccc(cc2)-c2ccc(O)cc2)cc(=O)n(O)c1=O

Cn1c(Oc2ccc(cc2)-c2ccccc2)cc(=O)n(O)c1=O

COc1cccc(c1)-c1cccc(Oc2cc(=O)n(O)c(=O)n2C)c1

Cn1c(Nc2ccc(cc2)-c2cccc(c2)C#N)cc(=O)n(O)c1=O

COc1ccccc1-c1cccc(Nc2cc(=O)n(O)c(=O)n2C)c1

COc1cccc(OC)c1-c1cccc(Nc2cc(=O)n(O)c(=O)n2C)c1

Cc1noc(C)c1-c1ccc(Nc2cc(=O)n(O)c(=O)n2C)cc1

COc1ccc(cc1)-c1ccc(Oc2cc(=O)n(O)c(=O)n2C)cc1

On1c(=O)cc(Nc2cccc(c2)-c2ccc(F)cc2)[nH]c1=O

Cn1c(Nc2cccc(c2)-c2ccc(O)cc2)cc(=O)n(O)c1=O

COc1ccc(cc1)-c1ccccc1Oc1cc(=O)n(O)c(=O)n1C

COc1cccc(OC)c1-c1cccc(Nc2cc(=O)n(O)c(=O)[nH]2)c1

COc1ccc(c(OC)c1)-c1cccc(Nc2cc(=O)n(O)c(=O)[nH]2)c1

COc1cc(OC)cc(c1)-c1ccc(Nc2cc(=O)n(O)c(=O)[nH]2)cc1

Oc1ccccc1-c1ccc(Nc2cc(=O)n(O)c(=O)[nH]2)cc1

Cc1ccc(cc1)-c1cccc(Nc2cc(=O)n(O)c(=O)[nH]2)c1

Cn1c(Oc2ccc(cc2)-c2ccc(Cl)cc2)cc(=O)n(O)c1=O

Cn1c(Oc2ccc(cc2)-c2ccc(cc2)C#N)cc(=O)n(O)c1=O

COc1ccccc1-c1ccccc1Oc1cc(=O)n(O)c(=O)n1C

COc1cccc(c1)-c1ccccc1Oc1cc(=O)n(O)c(=O)n1C

COc1ccccc1-c1cccc(Oc2cc(=O)n(O)c(=O)n2C)c1

COc1ccc(cc1)-c1cccc(Oc2cc(=O)n(O)c(=O)n2C)c1

COc1cccc(c1)-c1ccc(Oc2cc(=O)n(O)c(=O)n2C)cc1

Cn1c(Oc2ccccc2-c2ccccc2O)cc(=O)n(O)c1=O

Cn1c(Oc2cccc(c2)-c2ccc(cc2)C(F)(F)F)cc(=O)n(O)c1=O

Cn1c(Oc2ccc(cc2)-c2ccc(cc2)C(F)(F)F)cc(=O)n(O)c1=O

Cc1noc(C)c1-c1ccccc1Nc1cc(=O)n(O)c(=O)n1C |(42.02,-16.99,;40.55,-17.46,;40.07,-18.93,;38.53,-18.93,;38.06,-17.46,;36.6,-16.98,;39.31,-16.56,;39.31,-15.02,;40.64,-14.25,;40.64,-12.71,;39.31,-11.94,;37.98,-12.71,;37.98,-14.25,;36.64,-15.02,;35.31,-14.24,;35.31,-12.7,;33.98,-11.93,;33.98,-10.39,;32.64,-12.7,;31.31,-11.93,;32.64,-14.24,;31.31,-15.01,;33.97,-15.01,;33.97,-16.55,)|

Cn1c(Nc2cccc(c2)-c2ccc(cc2)C#N)cc(=O)n(O)c1=O

COc1ccc(c(OC)c1)-c1cccc(Nc2cc(=O)n(O)c(=O)n2C)c1

COc1cc(OC)cc(c1)-c1ccc(Nc2cc(=O)n(O)c(=O)n2C)cc1

COc1ccc(cc1)-c1ccc(Nc2cc(=O)n(O)c(=O)n2C)cc1

Cc1ccc(cc1)-c1cccc(Nc2cc(=O)n(O)c(=O)n2C)c1

Cc1ccc(cc1)-c1ccc(Nc2cc(=O)n(O)c(=O)n2C)cc1

Cn1c(Nc2cccc(c2)-c2ccccc2)cc(=O)n(O)c1=O

COc1ccc(cc1OC)-c1cccc(Nc2cc(=O)n(O)c(=O)n2C)c1

Cn1c(Nc2cccc(c2)-c2cncnc2)cc(=O)n(O)c1=O

Oc1ccc(cc1)-c1ccc(Nc2cc(=O)n(O)c(=O)[nH]2)cc1

COc1cccc(c1)-c1cccc(Nc2cc(=O)n(O)c(=O)n2C)c1

Cn1c(Oc2ccccc2-c2ccc(cc2)C(F)(F)F)cc(=O)n(O)c1=O

Cn1c(Oc2ccc(cc2)-c2cccc(c2)C#N)cc(=O)n(O)c1=O

Cn1c(Oc2ccccc2-c2ccc(Cl)cc2)cc(=O)n(O)c1=O

Cn1c(Oc2ccc(cc2)-c2ccncc2)cc(=O)n(O)c1=O

Cn1c(Nc2ccc(cc2)-c2ccc(cc2)C(F)(F)F)cc(=O)n(O)c1=O

Cn1c(Oc2cccc(c2)-c2cccc(O)c2)cc(=O)n(O)c1=O

CNc1[nH]c(=O)n(O)c(=O)c1C(=O)NCc1ccccc1

CCNc1[nH]c(=O)n(O)c(=O)c1C(=O)NCc1ccc(F)cc1F

CCNc1[nH]c(=O)n(O)c(=O)c1C(=O)NCc1ccc(Cl)c(F)c1

CCNc1[nH]c(=O)n(O)c(=O)c1C(=O)NCc1cccc(Cl)c1F

CCNc1[nH]c(=O)n(O)c(=O)c1C(=O)NCc1ccc(C)c(F)c1

CCNc1[nH]c(=O)n(O)c(=O)c1C(=O)NCc1ccc(F)cc1

CCNc1[nH]c(=O)n(O)c(=O)c1C(=O)NCc1ccccc1

CCNc1[nH]c(=O)n(O)c(=O)c1C(=O)NCc1ccc(F)c(F)c1

CSCN1c2ncccc2N(C)C(=O)c2cccnc12

O=C1Nc2c(ccnc2N(C2CC2)c2ncccc12)C#N

CCN1c2ncccc2C(=O)N(C)c2c(CC)ccnc12

OCc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12

CCN1c2ncccc2C(=O)N(C)c2c(C)ccnc12

CN1c2c(C)ccnc2N(C2CC2)c2ncccc2C1=O

CCCN1c2ncccc2N(C)C(=O)c2cccnc12

CCN1c2ncccc2NC(=O)c2cccnc12

CN1c2cccnc2N(C(C)=O)c2ncccc2C1=O

CN1c2cccnc2N(c2ncccc2C1=O)C(C)(C)C

CCN1c2ncc(Cl)cc2N(C)C(=O)c2cccnc12

Cc1c(Sc2ccccc2)[nH]c(=O)[nH]c1=O

Cc1c(Sc2ccccc2)n(C)c(=O)[nH]c1=O

CCN1c2nc(Cl)ccc2N(C)C(=O)c2cccnc12

CCN1c2nc(C)ccc2N(C)C(=O)c2cccnc12

CCN1c2nccc(Cl)c2NC(=O)c2cccnc12

O=C1Nc2cccnc2N(C2CC2)c2ncccc12

CN1c2cccnc2N(CCF)c2ncccc2C1=O

CCOC(=O)c1cc(n[nH]1)-c1cn(Cc2ccc(F)cc2)cc1-c1ccccc1

CCOC(=O)c1cc(n[nH]1)-c1cc[nH]c1

CCOC(=O)c1cc(n[nH]1)-c1ccn(Cc2ccc(F)cc2)c1

CCOC(=O)c1cc(n[nH]1)-c1c[nH]cc1-c1ccccc1

CCOC(=O)c1cc(n[nH]1)-c1cn(C)cc1-c1ccccc1

CCOC(=O)c1cc(n[nH]1)-c1cn(Cc2cccc3ccccc23)cc1-c1ccccc1

CCOC(=O)c1cc(n[nH]1)-c1cn(CCCCc2ccccc2)cc1-c1ccccc1

CCOC(=O)c1cc(n[nH]1)-c1cn(Cc2ccc(F)cc2)cc1-c1ccc2ccccc2c1

OC(=O)c1cc(n[nH]1)-c1cn(Cc2ccc(F)cc2)cc1-c1ccccc1

OC(=O)c1cc(n[nH]1)-c1cc[nH]c1

OC(=O)c1cc(n[nH]1)-c1ccn(Cc2ccc(F)cc2)c1

OC(=O)c1cc(n[nH]1)-c1c[nH]cc1-c1ccccc1

Cn1cc(-c2cc([nH]n2)C(O)=O)c(c1)-c1ccccc1

OC(=O)c1cc(n[nH]1)-c1cn(Cc2cccc3ccccc23)cc1-c1ccccc1

OC(=O)c1cc(n[nH]1)-c1cn(CCCCc2ccccc2)cc1-c1ccccc1

OC(=O)c1cc(n[nH]1)-c1cn(Cc2ccc(F)cc2)cc1-c1ccc2ccccc2c1

CCOC(=O)c1cc(C)n[nH]1

CCOC(=O)c1cc([nH]n1)-c1ccccc1

CCOC(=O)c1cc(n[nH]1)-c1ccccc1-c1ccccc1

Cc1cc(n[nH]1)C(O)=O

OC(=O)c1cc(n[nH]1)-c1ccccc1

OC(=O)c1cc(n[nH]1)-c1ccccc1-c1ccccc1

CCOC(=O)c1cc(n[nH]1)-c1cn(Cc2ccc(F)cc2)cc1-c1ccc(OCc2ccccc2)cc1

CCOC(=O)c1cc(n[nH]1)-c1cn(Cc2ccc(F)cc2)cc1-c1ccc(OCCCCc2ccccc2)cc1

CCOC(=O)c1cc(n[nH]1)-c1cn(Cc2cccc3ccccc23)cc1-c1ccc(OCCCCc2ccccc2)cc1

CCOC(=O)c1cc(n[nH]1)-c1cn(Cc2ccc(F)cc2)cc1-c1ccc(OCc2cccc3ccccc23)cc1

CCOC(=O)c1cc(n[nH]1)-c1cn(Cc2cccc3ccccc23)cc1-c1ccc(OCc2cccc3ccccc23)cc1

CCOC(=O)c1cc(n[nH]1)-c1cn(Cc2ccc(F)cc2)cc1-c1ccc(OCC(=O)Nc2ccc(cc2)C(O)=O)cc1

CCOC(=O)c1cc(n[nH]1)-c1cn(Cc2ccc(F)cc2)cc1-c1ccc(OCC(=O)Nc2ccccc2)cc1

CCOC(=O)c1cc(n[nH]1)-c1cn(Cc2cccc3ccccc23)cc1-c1ccc(OCC(=O)Nc2ccccc2)cc1

CCOC(=O)c1cc(n[nH]1)-c1cn(Cc2ccc(F)cc2)cc1-c1ccc(OCCCCCc2ccccc2)cc1

OC(=O)c1cc(n[nH]1)-c1cn(Cc2ccc(F)cc2)cc1-c1ccc(OCc2ccccc2)cc1

OC(=O)c1cc(n[nH]1)-c1cn(Cc2ccc(F)cc2)cc1-c1ccc(OCCCCc2ccccc2)cc1

OC(=O)c1cc(n[nH]1)-c1cn(Cc2cccc3ccccc23)cc1-c1ccc(OCCCCc2ccccc2)cc1

OC(=O)c1cc(n[nH]1)-c1cn(Cc2ccc(F)cc2)cc1-c1ccc(OCc2cccc3ccccc23)cc1

OC(=O)c1cc(n[nH]1)-c1cn(Cc2cccc3ccccc23)cc1-c1ccc(OCc2cccc3ccccc23)cc1

OC(=O)c1cc(n[nH]1)-c1cn(Cc2ccc(F)cc2)cc1-c1ccc(OCC(=O)Nc2ccc(cc2)C(O)=O)cc1

OC(=O)c1cc(n[nH]1)-c1cn(Cc2ccc(F)cc2)cc1-c1ccc(OCC(=O)Nc2ccccc2)cc1

OC(=O)c1cc(n[nH]1)-c1cn(Cc2cccc3ccccc23)cc1-c1ccc(OCC(=O)Nc2ccccc2)cc1

OC(=O)c1cc(n[nH]1)-c1cn(Cc2ccc(F)cc2)cc1-c1ccc(OCCCCCc2ccccc2)cc1

CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)cc1-c1ccccc1

CCOC(=O)C(\O)=C\C(=O)\C=C\c1cccn1Cc1ccccc1Cl

CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(O)=O |r|

CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)C(CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)C(CC(N)=O)NC(=O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CSSC[C@H](NC1=O)C(O)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O |r|

CC[C@H](C)[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](N)CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)[C@@H](C)O)C(O)=O |r|

CC[C@H](C)[C@@H]1NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O |r|

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)CNC1=O)[C@H](C)O)[C@@H](C)CC)[C@@H](C)CC)[C@H](C)O |r|

Cc1ccc(CCNC(=S)Nc2nccs2)cc1

S=C(NCC12CC3CC(CC(C3)C1)C2)Nc1nccs1 |TLB:7:8:12:6.5.11,THB:7:6:12:8.13.9,9:8:5:10.12.11,9:10:5:8.13.7|

Oc1ccc(CCNC(=S)Nc2ccc(Br)cn2)cc1

S=C(NCCc1c[nH]c2ccccc12)Nc1nccs1

S=C(NCc1ccco1)Nc1nccs1

S=C(NCCOc1ccccc1)Nc1nccs1

S=C(NCCCn1ccnc1)Nc1nccs1

S=C(NCCC1=CCCCC1)Nc1nccs1 |t:5|

CCC(NC(=S)Nc1nccs1)c1ccccc1

S=C(NCCc1cccs1)Nc1nccs1

Sc1nnc(s1)N1C(SCC1=O)c1ccccc1

Sc1nnc(s1)N1C(SCC1=O)c1ccccc1Cl

Sc1nnc(s1)N1C(SCC1=O)c1cccc(Cl)c1

Clc1ccc(cc1)C1SCC(=O)N1c1n[nH]c(=S)s1

NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(s2)N2C(SCC2=O)c2ccccc2)cc1

NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(s2)N2C(SCC2=O)c2ccccc2Cl)cc1

NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(s2)N2C(SCC2=O)c2cccc(Cl)c2)cc1

NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(s2)N2C(SCC2=O)c2ccc(Cl)cc2)cc1

CS(=O)(=O)c1ccc(NC(=O)CSc2nnc(s2)N2C(SCC2=O)c2ccccc2)cc1

CS(=O)(=O)c1ccc(NC(=O)CSc2nnc(s2)N2C(SCC2=O)c2ccccc2Cl)cc1

CS(=O)(=O)c1ccc(NC(=O)CSc2nnc(s2)N2C(SCC2=O)c2cccc(Cl)c2)cc1

CS(=O)(=O)c1ccc(NC(=O)CSc2nnc(s2)N2C(SCC2=O)c2ccc(Cl)cc2)cc1

Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(O)=O)c1=O |r|

Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O |c:21|

Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)c(=O)n(CC(O)=O)c1=O |r|

Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)CC2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(O)=O)c1=O

Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(=O)OCc2ccccc2)c1=O |r|

Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(O)=O)c1=O |r|

Cc1cn([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)n(CC(O)=O)c1=O |r|

Cc1cn([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)n(CC(=O)OCc2ccccc2)c1=O |r|

Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)CC2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(=O)OCc2ccccc2)c1=O

Cc1cn(C2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n(CC(=O)OCc2ccccc2)c1=O |r|

Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(O)=O)c1=O |r|

Cc1cn(C2CCC(CO[Si](C)(C)C(C)(C)C)O2)c(=O)n(CC(=O)OCc2ccccc2)c1=O

Cc1cn(C2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n(CC(O)=O)c1=O |r|

Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)c(=O)n(CC(=O)OCc2ccccc2)c1=O |r|

Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(=O)OCc2ccccc2)c1=O |r|

Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(=O)OCc2ccccc2)c1=O |r|

Cc1cn(C2CCC(CO[Si](C)(C)C(C)(C)C)O2)c(=O)n(CC(O)=O)c1=O

Cc1cn(C2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)c(=O)n(CC(=O)OCc2ccccc2)c1=O |r|

Cc1cn(C2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)c(=O)n(CC(O)=O)c1=O |r|

FS(=O)(=O)Oc1ccc(Oc2cc(Cl)cc(c2)C#N)c(Cl)c1

FS(=O)(=O)Oc1ccc(Cl)c(Oc2cc(Cl)cc(c2)C#N)c1

c1cc(c(cc1OS(=O)(=O)F)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Cl)C#N

Cn1c(=O)ccn(CCOc2cc(OS(F)(=O)=O)ccc2Oc2cc(Cl)cc(c2)C#N)c1=O

c1cc2cc(ccc2c(c1)Oc3ccc(cc3OCCN4C=CC(=O)NC4=O)OS(=O)(=O)F)C#N

FS(=O)(=O)Oc1ccc(Oc2cc(Cl)cc3cc(ccc23)C#N)c(OCCn2ccc(=O)[nH]c2=O)c1

Cn1c(=O)ccn(CCOc2cc(OS(F)(=O)=O)ccc2Oc2cccn3cc(cc23)C#N)c1=O

Fc1cc(Oc2ccc(OS(F)(=O)=O)cc2OCCn2ccc(=O)[nH]c2=O)c2cc(cn2c1)C#N

FS(=O)(=O)Oc1ccc(Oc2cc(Cl)cn3cc(cc23)C#N)c(OCCn2ccc(=O)[nH]c2=O)c1

c1cc(c(cc1OS(=O)(=O)F)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)F)/C=C/C#N

c1cc(c(cc1OS(=O)(=O)F)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Cl)/C=C/C#N

FS(=O)(=O)c1ccc(Oc2cc(Cl)cc(c2)C#N)c(OCCn2ccc(=O)[nH]c2=O)c1

Cn1c(=O)ccn(CCOc2cc(ccc2Oc2cc(Cl)cc(c2)C#N)S(F)(=O)=O)c1=O

c1cc(c(cc1Cl)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Cl)/C=C/C#N

Oc1cc(cc(O)c1O)C(=O)OC1COc2ccccc2C1

Oc1ccc(CCOC(=O)c2cc(O)c(O)c(O)c2)cc1

COc1cc(OC)c2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1

Oc1ccc2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1

Oc1ccc(CCOC(=O)c2cc(O)c(O)c(O)c2)cc1O

Oc1cc(O)c2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1

Oc1cc(cc(O)c1O)C(=O)OC1COc2cccc(O)c2C1

Oc1cc(O)c2CC(COc2c1)OC(=O)c1ccc(O)c(O)c1

Oc1cc(O)c2CC(COc2c1)OC(=O)c1ccccc1

Oc1cc(O)cc(c1)C(=O)OC1COc2cc(O)cc(O)c2C1

Oc1cc(cc(O)c1O)C(=O)OCCc1ccccc1

CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)Cc1cc2ccc(O)cc2oc1=O)S(=O)(=O)c1ccc(N)cc1 |r|

CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)Cc1cc2ccc(O)cc2oc1=O)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O |r|

CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)Cc1cc(=O)oc2cc(ccc12)N(C)C)S(=O)(=O)c1ccc(N)cc1 |r|

COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)Cc1cc(=O)oc2cc(ccc12)N(C)C |r|

COc1ccc2c(CC(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(N)cc3)cc(=O)oc2c1 |r|

COc1ccc2c(CC(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(cc3)[N+]([O-])=O)cc(=O)oc2c1 |r|

COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)Cc1cc(=O)oc2cc(OC)ccc12 |r|

CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)Cc1cc(=O)oc2cc(O)ccc12)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O |r|

COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)Cc1cc(=O)oc2cc(O)ccc12 |r|

COc1ccc2cc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(N)cc3)c(=O)oc2c1 |r|

COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccc(OC)cc2oc1=O |r|

CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccc(O)cc2oc1=O)S(=O)(=O)c1ccc(N)cc1 |r|

CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccc(O)cc2oc1=O)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O |r|

COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccc(O)cc2oc1=O |r|

CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2oc1=O)S(=O)(=O)c1ccc(N)cc1 |r|

COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2oc1=O |r|

CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc2oc(=O)ccc2c1)S(=O)(=O)c1ccc(N)cc1 |r|

COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc2oc(=O)ccc2c1 |r|

CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc2oc(=O)ccc2c1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O |r|

CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)Cc1cc2ccc(N)cc2oc1=O)S(=O)(=O)c1ccc(N)cc1 |r|

CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)Cc1cc2ccc(N)cc2oc1=O)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O |r|

COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)Cc1cc2ccc(N)cc2oc1=O |r|

CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)Cc1cc(=O)oc2cc(ccc12)N(C)C)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O |r|

CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)Cc1cc(=O)oc2cc(O)ccc12)S(=O)(=O)c1ccc(N)cc1 |r|

COc1ccc2cc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(cc3)[N+]([O-])=O)c(=O)oc2c1 |r|

CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2oc1=O)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O |r|

CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)Oc1c2occc2cc2ccc(=O)oc12)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O |r|

COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)Oc1c2occc2cc2ccc(=O)oc12 |r|

CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)Oc1ccc2c(C)cc(=O)oc2c1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O |r|

COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)Oc1ccc2c(C)cc(=O)oc2c1 |r|

Nc1ncnc2n(cnc12)C1CC(OCP(O)(=O)OP(O)(=O)OP(O)(O)=O)C=C1 |c:29|

Nc1nc2n(cnc2c(=O)[nH]1)C1CC(OCP(O)(=O)OP(O)(=O)C(Br)(Br)P(O)(=O)OP(O)(=O)COC2CC(C=C2)n2cnc3c2nc(N)[nH]c3=O)C=C1 |c:40,56|

Nc1ncnc2n(cnc12)C1CC(OCP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)COC2CC(C=C2)n2cnc3c(N)ncnc23)C=C1 |c:37,52|

Nc1ncnc2n(cnc12)C1CC(OCP(O)(=O)OP(O)(=O)OP(O)(=O)COC2CC(C=C2)n2cnc3c(N)ncnc23)C=C1 |c:33,48|

Nc1nc2n(cnc2c(=O)[nH]1)C1CC(OCP(O)(=O)OP(O)(=O)C(Br)(Br)P(O)(O)=O)C=C1 |c:32|

Nc1nc2n(cnc2c(=O)[nH]1)C1CC(OCP(O)(=O)OP(O)(=O)C(F)(F)P(O)(=O)OP(O)(=O)COC2CC(C=C2)n2cnc3c2nc(N)[nH]c3=O)C=C1 |c:40,56|

Nc1nc2n(cnc2c(=O)[nH]1)C1CC(OCP(O)(=O)OP(O)(=O)C(F)(F)P(O)(O)=O)C=C1 |c:32|

Nc1ncnc2n(cnc12)C1CC(OCP(O)(=O)OP(O)(=O)C(F)(F)P(O)(O)=O)C=C1 |c:31|

Nc1nc2n(cnc2c(=O)[nH]1)C1CC(OCP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)COC2CC(C=C2)n2cnc3c2nc(N)[nH]c3=O)C=C1 |c:38,54|

Nc1ncnc2n(cnc12)C1CC(OCP(O)(=O)OP(O)(=O)C(F)(F)P(O)(=O)OP(O)(=O)COC2CC(C=C2)n2cnc3c(N)ncnc23)C=C1 |c:39,54|

Nc1nc2n(cnc2c(=O)[nH]1)C1CC(OCP(O)(=O)OP(O)(=O)OP(O)(O)=O)C=C1 |c:30|

Nc1nc2n(cnc2c(=O)[nH]1)C1CC(OCP(O)(=O)OP(O)(=O)OP(O)(=O)COC2CC(C=C2)n2cnc3c2nc(N)[nH]c3=O)C=C1 |c:34,50|

Nc1ncnc2n(cnc12)C1CC(OCP(O)(=O)OP(O)(=O)C(Br)(Br)P(O)(=O)OP(O)(=O)COC2CC(C=C2)n2cnc3c(N)ncnc23)C=C1 |c:39,54|

Nc1ncnc2n(cnc12)C1CC(OCP(O)(=O)OP(O)(=O)C(Br)(Br)P(O)(O)=O)C=C1 |c:31|

NC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1CCCC1

NC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)N[C@@H]1CCCN(C1)S(=O)(=O)C=C |r|

NC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)N[C@H]1CCN(C1)S(=O)(=O)C=C |r|

COC(=O)c1c(N)c(nn1-c1ccccc1OCc1ccccc1)C#N

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)Nc1ccc(O)cc1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccccc1O

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccccc1N

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1cccc(O)c1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccc(O)cc1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccc(CO)cc1

CC(NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1)C(=O)NCc1cccc(O)c1

Cc1cc(cc(c1Oc2c(c(nc(n2)Nc3ccc(cc3)C#N)N)Br)C)C#N

Fc1cccc(F)c1C1SCC(=O)N1c1ccc(Cl)cn1

Cc1cccc(n1)N1C(SCC1=O)c1c(Cl)cccc1Cl

Cc1cc(C)nc(c1)N1C(SCC1=O)c1c(F)cccc1F

Clc1cccc(Cl)c1C1SCC(=O)N1c1ccc(Br)cn1

Cc1cccc(n1)N1C(SCC1=O)c1c(C)cccc1F

c1nc(cs1)-c1nc2ccccc2[nH]1

Cc1ccnc(c1)N1C(SCC1=O)c1c(F)cccc1F

Cc1ccc(nc1)N1C(SCC1=O)c1c(C)cccc1Cl

Cc1ccnc(c1)N1C(SCC1=O)c1c(F)cccc1Cl

Fc1cccc(F)c1C1SCC(=O)N1c1ccc(Br)cn1

Cc1cccc(n1)N1C(SCC1=O)c1c(F)cccc1F

Sc1ccccc1C(=O)NNC(=O)c1ccccc1SSc1ccccc1C(=O)NNC(=O)c1ccccc1S

Sc1ccccc1C(=O)NNC(=O)c1ccccc1S

O=C1NNC(=O)c2ccccc2SSc2ccccc2C(=O)NNC(=O)c2ccccc2SSc2ccccc12

CC(COc1ccccc1)OC(=S)N(C(=O)COc1ccccc1)c1ccccc1

O=C(N(C(=S)OCCN1C(=O)c2ccccc2C1=O)c1ccccc1)c1ccccc1

Fc1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1

CCc1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1ccco1

CC(COc1ccccc1)OC(=S)N(C(=O)Oc1ccccc1)c1ccccc1

O=C(N(C(=S)OCCc1ccccc1)c1ccccc1)c1ccccc1

CC(COc1ccccc1)OC(=S)N(C(=O)c1cccs1)c1ccccc1

CC(COc1ccccc1)OC(=S)N(C(=O)c1ccc2ccccc2c1)c1ccccc1

CC(COc1ccccc1)OC(=S)N(C(=O)c1cccc(c1)[N+]([O-])=O)c1ccccc1

FC(F)(F)c1cccc(c1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1

CCc1ccccc1N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1

Clc1cccc(c1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1

O=C(N(C(=S)OCc1ccco1)c1ccccc1)c1ccccc1

Cc1ccc(cc1)C(=O)N(C(=S)OCCOc1ccccc1)c1ccccc1

CC(=O)c1cccc(c1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1

Fc1cccc(c1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1

Cc1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1

O=C(C1CCCO1)N(C(=S)OCc1ccccc1)c1ccccc1

[O-][N+](=O)c1cccc(c1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1

Cc1cccc(c1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1

O=C(COc1ccccc1)N(C(=S)OCCOc1ccccc1)c1ccccc1

COc1cc(cc(OC)c1OC)C(=O)N(C(=S)OCCOc1ccccc1)c1ccccc1

[O-][N+](=O)c1cc(ccc1Cl)C(=O)N(C(=S)OCCOc1ccccc1)c1ccccc1

Clc1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1

COc1cccc(c1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1

Brc1cccc(c1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1

Clc1ccc(cc1)C(=O)N(C(=S)OCCOc1ccccc1)c1ccccc1

Clc1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1ccc(Cl)cc1

Clc1cc(Cl)cc(c1)C(=O)N(C(=S)OCCOc1ccccc1)c1ccccc1

Brc1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1ccccc1

O=C(N(C(=S)OCCSc1ccccc1)c1ccccc1)c1ccccc1

Fc1ccc(cc1)N(C(=S)OCCOc1ccccc1)C(=O)c1ccccc1

CC(COc1ccccc1)OC(=S)N(C(=O)c1cccs1)c1ccc(cc1)[N+]([O-])=O

CC(COc1ccccc1)OC(=S)N(C(=O)c1cccs1)c1cccc(Cl)c1

O=C(N(C(=S)OCCc1ccccc1)c1ccccc1)c1ccco1

O=C(\C=C\c1ccccc1)N(C(=S)OCCc1ccccc1)c1ccccc1

Clc1ccc(C(=O)N(C(=S)OCCOc2ccccc2)c2ccccc2)c(Cl)c1

Clc1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1ccnc(Cl)c1

CCCCOC(=O)N(C(=S)OC(C)COc1ccccc1)c1ccccc1

Clc1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1ccccc1

CCCOC(=O)N(C(=S)OC(C)COc1ccccc1)c1ccccc1

Clc1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1ccco1

Clc1ccc(cc1)C(=O)N(C(=S)OCCc1ccccc1)c1ccccc1

O=C(N(C1CCCCC1)C(=S)OCCOc1ccccc1)c1ccccc1

CCN(CC)c1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1

CC(=O)Oc1ccccc1C(=O)N(C(=S)OCCOc1ccccc1)c1ccccc1

COc1ccccc1N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1

CCOc1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1ccnc(Cl)c1

Clc1ccccc1N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1

[O-][N+](=O)c1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1

[O-][N+](=O)c1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1ccco1

CC(COc1ccccc1)OC(=S)N(C(=O)c1ccccc1)c1ccccc1

O=C(N(C(=S)OCCOc1ccccc1)c1ccccc1)c1cccs1

CC(COc1ccccc1)OC(=S)N(C(=O)c1ccco1)c1ccccc1

Ic1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1

O=C(N(C(=S)OCCOc1ccccc1)c1ccccc1)c1ccccc1

Cc1ccccc1N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1

O=C(N(C(=S)OCCOc1ccccc1)c1ccccc1)c1ccco1

CC(COc1ccccc1)OC(=S)N(C(=O)c1cccs1)c1ccc(Cl)cc1

O=C(\C=C\c1ccccc1)N(C(=S)OCCOc1ccccc1)c1ccccc1

[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)NC[C@H]1CC[C@@H](CC1)\N=C(\N)SCC1=CSC2=NC(C)(C)CN12)ccc3O |r,wU:16.16,17.21,21.26,1.0,48.56,wD:7.7,45.49,t:62,65,THB:10:9:17:4.5.6,(10.99,-22.68,;9.28,-22.68,;10.2,-24.25,;9.27,-25.68,;7.98,-24.94,;6.66,-25.68,;5.34,-24.94,;5.34,-23.46,;4.38,-22.47,;3.82,-23.41,;2.47,-22.64,;2.46,-21.12,;3.2,-19.79,;1.67,-19.8,;4.79,-24.2,;6.67,-24.2,;7.98,-23.41,;6.67,-22.65,;5.32,-21.88,;6.67,-21.12,;7.99,-20.36,;9.3,-21.15,;10.65,-20.39,;10.67,-18.85,;9.34,-18.06,;12.01,-18.09,;13.34,-18.87,;14.68,-18.12,;16.01,-18.9,;15.99,-20.44,;17.35,-18.14,;18.68,-18.93,;20.02,-18.17,;21.35,-18.95,;22.7,-18.2,;24.02,-18.98,;25.37,-18.22,;25.38,-16.68,;26.69,-19.01,;28.04,-18.25,;29.36,-19.03,;30.71,-18.27,;30.72,-16.73,;32.04,-19.06,;33.38,-18.3,;34.71,-19.09,;34.69,-20.63,;36.01,-21.41,;37.35,-20.66,;37.37,-19.11,;36.04,-18.32,;38.68,-21.45,;40.02,-20.69,;41.35,-21.48,;40.05,-19.15,;41.39,-18.4,;41.41,-16.86,;42.67,-15.97,;42.21,-14.49,;40.67,-14.48,;39.44,-13.56,;38.18,-14.45,;36.68,-14.84,;37.09,-13.35,;38.64,-15.91,;40.17,-15.93,;6.66,-27.21,;7.98,-27.98,;9.27,-27.21,;10.63,-28,)|

CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)NC[C@H]1CC[C@@H](CC1)\N=C(/NC1CCCCC1)SCC1=CSC2=NC(C)(C)CN12 |r,wU:27.30,wD:24.23,t:43,46,(47.96,-8.38,;49.3,-9.15,;50.63,-8.38,;50.63,-6.84,;51.96,-9.15,;53.3,-8.38,;54.63,-9.15,;55.96,-8.38,;55.96,-6.84,;57.3,-9.15,;58.63,-8.38,;59.97,-9.15,;61.3,-8.38,;62.63,-9.15,;63.97,-8.38,;65.3,-9.15,;65.3,-10.69,;66.63,-8.38,;67.97,-9.15,;69.3,-8.38,;70.64,-9.15,;70.64,-10.69,;71.97,-8.38,;73.3,-9.15,;74.64,-8.38,;75.97,-9.15,;77.3,-8.39,;77.31,-6.85,;75.97,-6.07,;74.63,-6.84,;78.64,-6.08,;79.97,-6.86,;79.97,-8.4,;81.3,-9.17,;81.28,-10.71,;82.61,-11.49,;83.95,-10.73,;83.96,-9.19,;82.63,-8.4,;81.31,-6.09,;82.64,-6.87,;83.98,-6.1,;85.38,-6.74,;86.41,-5.6,;85.65,-4.26,;85.82,-2.73,;84.41,-2.09,;83.32,-1,;84.81,-.59,;83.38,-3.24,;84.14,-4.57,)|

CC1(CN2C(=CSC2=N1)CS/C(=N\C3CCCCC3)/NC4CCCCC4)C

Cc1cc(cc(C)c1Oc1ccnc(Nc2ccc(CN3CCS(=O)(=O)CC3)cc2)n1)C#N

Cc1cc(cc(C)c1Oc1ccnc(Nc2ccc(CN3CCCN(CC3)S(=O)(=O)C3CC3)cc2)n1)C#N

CC(C)S(=O)(=O)N1CCN(Cc2ccc(Nc3nccc(Oc4c(C)cc(cc4C)C#N)n3)cc2)CC1

Cc1cc(cc(C)c1Oc1ccnc(Nc2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1)C#N

Cc1cc(\C=C\C#N)cc(C)c1Oc1ccnc(Nc2ccc(CN3CCSCC3)cc2)n1

Cc1cc(\C=C\C#N)cc(C)c1Oc1ccnc(Nc2ccc(CN3CC[S+]([O-])CC3)cc2)n1

Cc1cc(\C=C\C#N)cc(C)c1Oc1ccnc(Nc2ccc(CN3CCS(=O)(=O)CC3)cc2)n1

CN(C)S(=O)(=O)N1CCCN(Cc2ccc(Nc3nccc(Oc4c(C)cc(\C=C\C#N)cc4C)n3)cc2)CC1

CCS(=O)(=O)N1CCN(Cc2ccc(Nc3nccc(Oc4c(C)cc(\C=C\C#N)cc4C)n3)cc2)CC1

Cc1cc(\C=C\C#N)cc(C)c1Oc1ccnc(Nc2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(CN3CCNCC3)cc2)nc2ccsc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(CN3CCNCC3)cc2)nc2sccc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(CN3CCN(CC3)S(N)(=O)=O)cc2)nc2ccsc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(CN3CCN(CC3)S(C)(=O)=O)cc2)nc2ccsc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(CN3CCN(CC3)S(N)(=O)=O)cc2)nc2sccc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(CN3CCN(CC3)S(C)(=O)=O)cc2)nc2sccc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(cc2)N2CCNCC2)nc2ccsc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(cc2)N2CCNCC2)nc2sccc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(cc2)N2CCN(CC2)S(N)(=O)=O)nc2ccsc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(cc2)N2CCN(CC2)S(C)(=O)=O)nc2ccsc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(cc2)N2CCN(CC2)S(N)(=O)=O)nc2sccc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(cc2)N2CCN(CC2)S(C)(=O)=O)nc2sccc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(cc2)N2CCCC(N)C2)nc2ccsc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(cc2)N2CCCC(N)C2)nc2sccc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(cc2)N2CCCC(C2)NS(N)(=O)=O)nc2ccsc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(cc2)N2CCCC(C2)NS(C)(=O)=O)nc2ccsc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(cc2)N2CCCC(C2)NS(N)(=O)=O)nc2sccc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(cc2)N2CCCC(C2)NS(C)(=O)=O)nc2sccc12

Nc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(1.21,6.27,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;-1.14,1.68,;-1.91,.34,;-3.45,.39,;-4.22,1.72,;-3.45,3.05,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;.39,1.52,;1.02,2.92,;-.12,3.95,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|

CC(=O)Nc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(2.54,8.57,;1.21,7.81,;-.12,8.58,;1.21,6.27,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;-1.14,1.68,;-1.91,.34,;-3.45,.39,;-4.22,1.72,;-3.45,3.05,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;.39,1.52,;1.02,2.92,;-.12,3.95,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|

CNc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(1.21,7.81,;1.21,6.27,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;-1.14,1.68,;-1.91,.34,;-3.45,.39,;-4.22,1.72,;-3.45,3.05,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;.39,1.52,;1.02,2.92,;-.12,3.95,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|

COc1cccc(F)c1-c1nc2c(N)cccc2n1Cc1c(F)cccc1F |(12.07,-3.61,;11.31,-4.95,;12.09,-6.28,;13.63,-6.25,;14.41,-7.58,;13.66,-8.93,;12.12,-8.93,;11.36,-10.28,;11.33,-7.6,;9.81,-7.62,;8.89,-6.37,;7.43,-6.86,;6.09,-6.09,;6.09,-4.55,;4.76,-6.87,;4.76,-8.4,;6.09,-9.18,;7.44,-8.4,;8.91,-8.86,;9.39,-10.33,;8.37,-11.47,;6.86,-11.16,;5.32,-11.16,;5.83,-12.31,;6.32,-13.77,;7.84,-14.08,;8.86,-12.93,;10.37,-13.24,)|

CCc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(1.21,7.81,;1.21,6.27,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;-1.14,1.68,;-1.91,.34,;-3.45,.39,;-4.22,1.72,;-3.45,3.05,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;.39,1.52,;1.02,2.92,;-.12,3.95,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|

Fc1cccc(F)c1Cn1c(nc2c(Br)cccc12)-c1c(F)cccc1F |(-3.45,3.05,;-4.22,1.72,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;-3.45,.39,;-1.91,.34,;-1.14,1.68,;.39,1.52,;1.02,2.92,;-.12,3.95,;-.12,5.5,;1.21,6.27,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|

COc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(1.21,7.81,;1.21,6.27,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;-1.14,1.68,;-1.91,.34,;-3.45,.39,;-4.22,1.72,;-3.45,3.05,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;.39,1.52,;1.02,2.92,;-.12,3.95,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|

NC(=O)c1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(-6.46,-17.11,;-7.79,-17.88,;-9.13,-17.11,;-7.79,-19.42,;-9.12,-20.19,;-9.12,-21.74,;-7.79,-22.51,;-6.45,-21.73,;-4.98,-22.2,;-4.49,-23.66,;-5.51,-24.81,;-5.03,-26.26,;-3.52,-26.57,;-6.04,-27.41,;-7.56,-27.1,;-8.04,-25.64,;-7.02,-24.49,;-7.5,-23.03,;-4.08,-20.94,;-4.99,-19.7,;-6.45,-20.18,;-2.54,-20.93,;-1.76,-22.26,;-2.53,-23.6,;-.22,-22.26,;.54,-20.92,;-.25,-19.58,;-1.78,-19.6,;-2.56,-18.27,)|

CN(C(C)=O)c1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(1.21,7.81,;1.21,6.27,;2.54,5.49,;3.88,6.26,;2.54,3.95,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;-1.14,1.68,;-1.91,.34,;-3.45,.39,;-4.22,1.72,;-3.45,3.05,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;.39,1.52,;1.02,2.92,;-.12,3.95,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|

NCc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(9.26,-7.73,;7.92,-8.5,;7.93,-10.04,;6.6,-10.83,;6.6,-12.37,;7.93,-13.14,;9.27,-12.35,;10.74,-12.82,;11.23,-14.29,;10.2,-15.43,;10.69,-16.89,;12.21,-17.19,;9.68,-18.04,;8.17,-17.73,;7.68,-16.27,;8.7,-15.12,;7.21,-14.71,;11.65,-11.57,;10.73,-10.32,;9.27,-10.81,;13.18,-11.56,;13.96,-12.89,;13.19,-14.23,;15.5,-12.89,;16.26,-11.55,;15.48,-10.2,;13.94,-10.23,;13.16,-8.89,)|

Fc1cccc(F)c1Cn1c(nc2c(CCl)cccc12)-c1c(F)cccc1F |(12.21,-16.49,;10.69,-16.19,;9.68,-17.34,;8.17,-17.03,;7.68,-15.57,;8.7,-14.42,;7.21,-14.01,;10.2,-14.73,;11.23,-13.59,;10.74,-12.12,;11.65,-10.87,;10.73,-9.62,;9.27,-10.11,;7.93,-9.34,;7.92,-7.8,;9.26,-7.03,;6.6,-10.13,;6.6,-11.67,;7.93,-12.44,;9.27,-11.65,;13.18,-10.86,;13.96,-12.19,;13.19,-13.53,;15.5,-12.19,;16.26,-10.85,;15.48,-9.5,;13.94,-9.53,;13.16,-8.17,)|

Fc1cccc(F)c1Cn1c(nc2c(CC#N)cccc12)-c1c(F)cccc1F |(10.38,-13.25,;8.86,-12.94,;7.84,-14.09,;6.33,-13.78,;5.84,-12.32,;6.86,-11.17,;5.37,-10.76,;8.38,-11.48,;9.4,-10.34,;8.92,-8.87,;9.82,-7.63,;8.89,-6.37,;7.44,-6.86,;6.09,-6.09,;6.09,-4.56,;7.42,-3.79,;8.75,-3.02,;4.77,-6.88,;4.77,-8.4,;6.09,-9.19,;7.45,-8.4,;11.34,-7.61,;12.1,-6.28,;11.32,-4.95,;13.64,-6.26,;14.42,-7.59,;13.67,-8.94,;12.13,-8.94,;11.37,-10.28,)|

[O-][N+](=O)c1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(1.21,7.81,;1.21,6.27,;2.75,6.27,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;-1.14,1.68,;-1.91,.34,;-3.45,.39,;-4.22,1.72,;-3.45,3.05,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;.39,1.52,;1.02,2.92,;-.12,3.95,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|

CC(=O)OCc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(10.58,-5.81,;9.25,-6.59,;7.92,-5.82,;9.26,-8.13,;7.92,-8.9,;7.93,-10.44,;6.6,-11.21,;6.6,-12.75,;7.93,-13.52,;9.27,-12.75,;10.74,-13.21,;11.23,-14.68,;10.2,-15.83,;10.69,-17.27,;12.21,-17.58,;9.68,-18.43,;8.17,-18.11,;7.68,-16.66,;8.7,-15.5,;7.21,-15.1,;11.65,-11.95,;10.73,-10.72,;9.27,-11.21,;13.18,-11.95,;13.96,-13.28,;13.19,-14.61,;15.5,-13.28,;16.26,-11.93,;15.48,-10.6,;13.94,-10.62,;13.16,-9.27,)|

OCc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(9.26,-7.73,;7.92,-8.5,;7.93,-10.04,;6.6,-10.83,;6.6,-12.37,;7.93,-13.14,;9.27,-12.35,;10.74,-12.82,;11.23,-14.29,;10.2,-15.43,;10.69,-16.89,;12.21,-17.19,;9.68,-18.04,;8.17,-17.73,;7.68,-16.27,;8.7,-15.12,;7.21,-14.71,;11.65,-11.57,;10.73,-10.32,;9.27,-10.81,;13.18,-11.56,;13.96,-12.89,;13.19,-14.23,;15.5,-12.89,;16.26,-11.55,;15.48,-10.2,;13.94,-10.23,;13.16,-8.89,)|

Fc1cccc(F)c1Cn1c(nc2c(C=O)cccc12)-c1c(F)cccc1F |(-3.52,-26.57,;-5.03,-26.26,;-6.04,-27.41,;-7.56,-27.1,;-8.04,-25.64,;-7.02,-24.49,;-7.5,-23.03,;-5.51,-24.81,;-4.49,-23.66,;-4.98,-22.2,;-4.08,-20.94,;-4.99,-19.7,;-6.45,-20.18,;-7.79,-19.42,;-7.79,-17.88,;-9.13,-17.11,;-9.12,-20.19,;-9.12,-21.74,;-7.79,-22.51,;-6.45,-21.73,;-2.54,-20.93,;-1.76,-22.26,;-2.53,-23.6,;-.22,-22.26,;.54,-20.92,;-.25,-19.58,;-1.78,-19.6,;-2.56,-18.27,)|

Fc1cccc(F)c1Cn1c(nc2c(Cl)cccc12)-c1c(F)cccc1F |(-3.45,3.05,;-4.22,1.72,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;-3.45,.39,;-1.91,.34,;-1.14,1.68,;.39,1.52,;1.02,2.92,;-.12,3.95,;-.12,5.5,;1.21,6.27,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|

Fc1cccc(F)c1Cn1c(nc2c(CN=[N+]=[N-])cccc12)-c1c(F)cccc1F |(10.38,-13.25,;8.86,-12.94,;7.84,-14.09,;6.33,-13.78,;5.84,-12.32,;6.86,-11.17,;5.37,-10.76,;8.38,-11.48,;9.4,-10.34,;8.92,-8.87,;9.82,-7.63,;8.89,-6.37,;7.44,-6.86,;6.09,-6.09,;6.09,-4.56,;7.42,-3.79,;8.75,-3.02,;10.08,-2.25,;4.77,-6.88,;4.77,-8.4,;6.09,-9.19,;7.45,-8.4,;11.34,-7.61,;12.13,-8.94,;11.37,-10.28,;13.67,-8.94,;14.42,-7.59,;13.64,-6.26,;12.1,-6.28,;11.32,-4.95,)|

CN(c1ccnc(Nc2ccc(cc2)C#N)n1)c1c(F)cc(cc1F)-c1ccc(cc1)C#N

CCN(c1ccnc(Nc2ccc(cc2)C#N)n1)c1c(F)cc(cc1F)-c1ccc(cc1)C#N

CCCN(c1ccnc(Nc2ccc(cc2)C#N)n1)c1c(F)cc(cc1F)-c1ccc(cc1)C#N

OCCN(c1ccnc(Nc2ccc(cc2)C#N)n1)c1c(F)cc(cc1F)-c1ccc(cc1)C#N

OCCCN(c1ccnc(Nc2ccc(cc2)C#N)n1)c1c(F)cc(cc1F)-c1ccc(cc1)C#N

FCCN(c1ccnc(Nc2ccc(cc2)C#N)n1)c1c(F)cc(cc1F)-c1ccc(cc1)C#N

Fc1cc(cc(F)c1N(CC#N)c1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccc(cc1)C#N

Fc1cc(cc(F)c1N(CC=C)c1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccc(cc1)C#N

COCN(c1ccnc(Nc2ccc(cc2)C#N)n1)c1c(F)cc(cc1F)-c1ccc(cc1)C#N

CC(=O)N(c1ccnc(Nc2ccc(cc2)C#N)n1)c1c(F)cc(cc1F)-c1ccc(cc1)C#N

CCS(=O)(=O)N(c1ccnc(Nc2ccc(cc2)C#N)n1)c1c(F)cc(cc1F)-c1ccc(cc1)C#N

Cc1cnc(Nc2ccc(cc2)C#N)nc1Nc1c(F)cc(cc1F)-c1ccc(cc1)C#N

[#6]-c1cc(cc(-[#6])c1-[#8]-c1ccnc(-[#7]-c2ccc(cc2)C#N)n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1

[#6]-c1cc(cc(-[#6])c1-[#8]-c1ccnc(-[#7]-c2ccc(cc2)C#N)n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)S([#6])(=O)=O

[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cc(-[#6])c(-[#8]-c2ccnc(-[#7]-c3ccc(cc3)C#N)n2)c(-[#6])c1

Cc1cc(\C=C\C#N)cc(C)c1Nc1cc(N)nc(Nc2ccc(cc2)C#N)n1

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)ncc1\C=C\C(=O)NCC#C)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)ncc1SCC(=O)NCCCN1CCOCC1)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)ncc1-c1ccncc1)C#N

CCCCCCCCOC(=O)c1cc2c3ccccc3[nH]c2c(n1)-c1ccc2C(=O)C=C(NC=O)C(=O)c2n1 |t:33|

COC(=O)c1[nH]c(-c2ccc3C(=O)C=C(NC(C)=O)C(=O)c3n2)c2nc3ccccc3c2c1C |t:13|

CC(=O)NC1=CC(=O)c2ccc(nc2C1=O)-c1[nH]c(cc2c1nc1ccccc21)C(O)=O |t:4|

NC(=O)c1cc2c3ccccc3[nH]c2c(n1)-c1ccc2C(=O)C=C(NC=O)C(=O)c2n1 |t:25|

CC(=O)NC1=CC(=O)c2ccc(nc2C1=O)-c1[nH]c(cc2c1nc1ccccc21)C(N)=O |t:4|

CCCCOC(=O)c1cc2c3ccccc3[nH]c2c(n1)-c1ccc2C(=O)C=C(NC(=O)CCC)C(=O)c2n1 |t:29|

CC(=O)NC1=CC(=O)c2ccc(nc2C1=O)-c1[nH]c(cc2c3ccccc3nc12)C(=O)OCCOP(O)(O)=O |t:4|

OC(=O)C(=O)CC(=O)c1cccc(OCc2cc(Cl)cc(Cl)c2C#N)c1

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

COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(O)c(O)c1 |r|

CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(O)c(O)c1)S(=O)(=O)c1ccc(N)cc1 |r|

CSc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(O)c(O)c1 |r|

COc1ccc(cn1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(O)c(O)c1 |r|

CCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(O)c(O)c1)S(=O)(=O)c1ccc(OC)cc1 |r|

COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(O)c(O)c1)C1CC1 |r|

COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(O)c(O)c1)C(C)C |r|

COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(O)c(OC)c1 |r|

COc1cc(\C=C\C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(N)cc2)ccc1O |r|

COc1cc(\C=C\C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(SC)cc2)ccc1O |r|

COc1ccc(cn1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(O)c(OC)c1 |r|

CCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(O)c(OC)c1)S(=O)(=O)c1ccc(OC)cc1 |r|

COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(O)c(OC)c1)C1CC1 |r|

COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(O)c(OC)c1)C(C)C |r|

COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(OC)c(O)c(OC)c1 |r|

COc1cc(\C=C\C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(N)cc2)cc(OC)c1O |r|

COc1cc(\C=C\C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(SC)cc2)cc(OC)c1O |r|

COc1ccc(cn1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(OC)c(O)c(OC)c1 |r|

CCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(OC)c(O)c(OC)c1)S(=O)(=O)c1ccc(OC)cc1 |r|

COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(OC)c(O)c(OC)c1)C1CC1 |r|

COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(OC)c(O)c(OC)c1)C(C)C |r|

COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(O)c(O)c1 |r|

CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(O)c(O)c1)S(=O)(=O)c1ccc(N)cc1 |r|

CSc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(O)c(O)c1 |r|

COc1ccc(cn1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(O)c(O)c1 |r|

CCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(O)c(O)c1)S(=O)(=O)c1ccc(OC)cc1 |r|

COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(O)c(O)c1)C1CC1 |r|

COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(O)c(O)c1)C(C)C |r|

COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(O)c(OC)c1 |r|

COc1cc(CCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(N)cc2)ccc1O |r|

COc1cc(CCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(SC)cc2)ccc1O |r|

COc1ccc(cn1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(O)c(OC)c1 |r|

CCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(O)c(OC)c1)S(=O)(=O)c1ccc(OC)cc1 |r|

COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(O)c(OC)c1)C1CC1 |r|

COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(O)c(OC)c1)C(C)C |r|

COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CCc1cc(OC)c(O)cc1OC |r|

COc1cc(CCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(N)cc2)c(OC)cc1O |r|

COc1cc(CCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(SC)cc2)c(OC)cc1O |r|

COc1ccc(cn1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CCc1cc(OC)c(O)cc1OC |r|

CCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CCc1cc(OC)c(O)cc1OC)S(=O)(=O)c1ccc(OC)cc1 |r|

COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CCc1cc(OC)c(O)cc1OC)C1CC1 |r|

COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CCc1cc(OC)c(O)cc1OC)C(C)C |r|

Nc1ccn([C@H]2O[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C=C2)c(=O)n1 |c:22|

C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N

C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=C(C(=NC2=O)N)F

Nc1nc(=O)n(cc1F)[C@H]1O[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C=C1F |c:27|

Nc1nc(=O)n(cc1F)[C@H]1O[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C=C1 |c:27|

NC[C@@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1ncc(CO)s1 |r|

NC[C@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1ncc(CO)s1 |r|

NC[C@@H](NC(=O)c1ccc([nH]1)-c1ccc(Cl)cc1)c1nccs1 |r|

NC[C@H](NC(=O)c1ccc([nH]1)-c1ccc(Cl)cc1)c1nccs1 |r|

OCc1csc(n1)C1(CCNCC1)NC(=O)c1ccc([nH]1)-c1ccc(cc1)C(F)(F)F

CC1(CC(CC(N1)(C)C)NC(=O)C(=O)Nc2ccc(cc2)Cl)C

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)nc2CCSCc12)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(C)(=O)=O)CC2)nc2CCSCc12)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)C(N)=O)CC2)nc2CCSCc12)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3cccc(c3)C(N)=O)CC2)nc2CCSCc12)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3cc(=O)[nH]c(=O)[nH]3)CC2)nc2CCSCc12)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)[N+]([O-])=O)CC2)nc2CCSCc12)C#N

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)nc2CCSCc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(C)(=O)=O)CC2)nc2CCSCc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)C(N)=O)CC2)nc2CCSCc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3cccc(c3)C(N)=O)CC2)nc2CCSCc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3cc(=O)[nH]c(=O)[nH]3)CC2)nc2CCSCc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)[N+]([O-])=O)CC2)nc2CCSCc12

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc2CCSCc12)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(C#N)c(F)c2)nc2CCSCc12)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2F)C#N)nc2CCSCc12)C#N

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc2CCSCc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)c(F)c2)nc2CCSCc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(cc2F)C#N)nc2CCSCc12

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(nc2)C#N)nc2CCSCc12)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cn2)C#N)nc2CCSCc12)C#N

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(nc2)C#N)nc2CCSCc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(cn2)C#N)nc2CCSCc12

Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)NC4CCN(CC4)Cc5ccc(cc5)S(=O)(=O)N)C)C#N

Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)NC4CCN(CC4)Cc5ccc(cc5)S(=O)(=O)N)C)/C=C/C#N

Cc1cc(C)c(Oc2nc(Nc3ccc(cc3)C#N)nc3CCCCc23)c(C)c1

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc2CCCCc12)C#N

Cc1cc(C=O)cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc2CCCCc12

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(nc2)C#N)nc2CCCCc12)C#N

Cc1cc(C=O)cc(C)c1Oc1nc(Nc2ccc(nc2)C#N)nc2CCCCc12

Cc1cc(C=O)cc(C)c1Oc1nc(Nc2ccc(cn2)C#N)nc2CCCCc12

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(CC#N)cc2)nc2CCCCc12)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(OC(F)(F)F)cc2)nc2CCCCc12)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)S(C)(=O)=O)nc2CCCCc12)C#N

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc2CCCCc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(nc2)C#N)nc2CCCCc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(CC#N)cc2)nc2CCCCc12

Cc1cc(\C=C\C(N)=O)cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nn2cccc12

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(nc2)C#N)nn2cccc12)C#N

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nn2cccc12

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc2n(COCC[Si](C)(C)C)ccc12)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(nc2)C#N)nc2n(COCC[Si](C)(C)C)ccc12)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cn2)C#N)nc2n(COCC[Si](C)(C)C)ccc12)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc2n(CO)ccc12)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cn2)C#N)nc2n(CO)ccc12)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(nc2)C#N)nc2n(CO)ccc12)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc2n(CC(=O)N3CCOCC3)ccc12)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)ncc1-c1ccoc1)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)C(N)=O)CC2)ncc1-c1ccncc1)C#N

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)ncc1-c1ccncc1

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)C(N)=O)CC2)ncc1-c1ccncc1

Oc1c(O)c2oc(=O)c(cc2cc1[N+]([O-])=O)C(=O)NC1CCN(Cc2cccc(F)c2)CC1

Oc1c(O)c2oc(=O)c(cc2cc1[N+]([O-])=O)C(=O)NC1CCN(Cc2cccc(Cl)c2)CC1

Oc1c(O)c2oc(=O)c(cc2cc1[N+]([O-])=O)C(=O)NC1CCN(Cc2cccc(Br)c2)CC1

OC(=O)c1cc(NC(=O)c2cc3cc(c(O)c(O)c3oc2=O)[N+]([O-])=O)ccc1O

CCC1CCN(CC1)C1CCN(CC1)C(=O)c1cc2cc(c(O)c(O)c2oc1=O)[N+]([O-])=O

CCCN([C@@H]1CCc2nc(N)sc2C1)C(=O)c1cc2cc(c(O)c(O)c2oc1=O)[N+]([O-])=O |r|

Oc1c(O)c2oc(=O)c(cc2cc1[N+]([O-])=O)C(=O)N1CCCN(CC1)S(=O)(=O)c1ccc2ccncc2c1

Oc1c(O)c2oc(=O)c(cc2cc1[N+]([O-])=O)C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1

Oc1c(O)c2oc(=O)c(cc2cc1[N+]([O-])=O)C(=O)Nc1ccc(F)cc1

Oc1c(O)c2oc(=O)c(cc2cc1[N+]([O-])=O)C(=O)Nc1ccc(F)cc1F

Oc1c(O)c2oc(=O)c(cc2cc1[N+]([O-])=O)C(=O)NCc1ccc(F)cc1

Oc1c(O)c2oc(=O)c(cc2cc1[N+]([O-])=O)C(=O)NCc1ccc(F)cc1Cl

Oc1c(O)c2oc(=O)c(cc2cc1[N+]([O-])=O)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1

Cc1c(O)c(cc2cc(C(=O)NC3CCN(Cc4cccc(Br)c4)CC3)c(=O)oc12)[N+]([O-])=O

Cc1c(O)c(cc2cc(C(=O)Nc3ccc(O)c(c3)C(O)=O)c(=O)oc12)[N+]([O-])=O

COC(=O)c1cc(NC(=O)c2cc3cc(c(O)c(O)c3oc2=O)[N+]([O-])=O)ccc1O

Cc1c(O)c(cc2cc(C(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)c(=O)oc12)[N+]([O-])=O

Cc1c(O)c(cc2cc(C(=O)NC3CCN(Cc4ccc(cc4)C(N)=O)CC3)c(=O)oc12)[N+]([O-])=O

Cc1cccc(CN2CCC(CC2)NC(=O)c2cc3cc(c(O)c(C)c3oc2=O)[N+]([O-])=O)c1

Cc1c(O)c(cc2cc(C(=O)NC3CCN(Cc4cccc(F)c4)CC3)c(=O)oc12)[N+]([O-])=O

Cc1c(O)c(cc2cc(C(=O)Nc3cccc(F)c3)c(=O)oc12)[N+]([O-])=O

Cc1c(O)c(cc2cc(C(=O)NCc3ccccc3F)c(=O)oc12)[N+]([O-])=O

COc1cc(ccn1)-c1cc(F)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(F)c1

Cc1cc(ccn1)-c1cc(F)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(F)c1

Fc1cc(cc(F)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1csc2ccccc12

Fc1cc(cc(F)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1coc2ccccc12

Fc1cc(cc(F)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccco1

Fc1cc(cc(F)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccoc1

Fc1cc(cc(F)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1cccs1

Fc1cc(cc(F)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccsc1

Fc1cc(cc(F)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1cn[nH]c1

Fc1cc(cc(F)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1cncnc1

Fc1cc(cc(F)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccncc1

Fc1cc(cc(F)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1cccnc1

Nc1ccc(cc1)-c1cc(F)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(F)c1

Fc1cc(cc(F)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccnc(Cl)c1

Fc1cc(ccn1)-c1cc(F)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(F)c1

Fc1cnccc1-c1cc(F)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(F)c1

Fc1cc(cc(F)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1cc(Cl)nc(Cl)c1

Cc1cc(cc(C)n1)-c1cc(F)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(F)c1

Fc1cc(cc(F)n1)-c1cc(F)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(F)c1

Fc1cc(cc(F)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccnc(Cl)c1Cl

Fc1cc(cc(F)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccnc(F)c1F

Fc1cc(cc(F)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccnc(C#N)c1F

Fc1cc(cc(F)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccnc(c1)-c1ccnc(Cl)c1

C(=O)(O)P(=O)(O)O

Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCOP(O)(=O)C(O)=O)c1=O |r,c:21|

COC(=O)P([O-])(=O)OCCCn1c(=O)c(C)cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c1=O

CCOC(=O)P(O)(=O)OCCCn1c(=O)c(C)cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c1=O |r,c:36|

COC(=O)P(=O)(OC)OCCCn1c(=O)c(C)cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c1=O |r,c:36|

Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCOP(O)(=O)C(=O)OCc2ccccc2)c1=O |r,c:21|

Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCO)c1=O |c:21|

COc1cc2cc(ccc2c(OC)c1Oc1cc(N)nc(Nc2ccc(cc2)C#N)n1)C#N

CNc1cc(Oc2c(OC)cc3cc(ccc3c2OC)C#N)nc(Nc2ccc(cc2)C#N)n1

CCNc1cc(Oc2c(OC)cc3cc(ccc3c2OC)C#N)nc(Nc2ccc(cc2)C#N)n1

CCCNc1cc(Oc2c(OC)cc3cc(ccc3c2OC)C#N)nc(Nc2ccc(cc2)C#N)n1

CCCCNc1cc(Oc2c(OC)cc3cc(ccc3c2OC)C#N)nc(Nc2ccc(cc2)C#N)n1

CCCCCNc1cc(Oc2c(OC)cc3cc(ccc3c2OC)C#N)nc(Nc2ccc(cc2)C#N)n1

COc1cc2cc(ccc2c(OC)c1Oc1cc(NC(C)C)nc(Nc2ccc(cc2)C#N)n1)C#N

COc1cc2cc(ccc2c(OC)c1Oc1cc(NCC(C)C)nc(Nc2ccc(cc2)C#N)n1)C#N

COc1cc2cc(ccc2c(OC)c1Oc1cc(NC(C)(C)C)nc(Nc2ccc(cc2)C#N)n1)C#N

CCC(C)Nc1cc(Oc2c(OC)cc3cc(ccc3c2OC)C#N)nc(Nc2ccc(cc2)C#N)n1

CCC(CC)Nc1cc(Oc2c(OC)cc3cc(ccc3c2OC)C#N)nc(Nc2ccc(cc2)C#N)n1

CCCC(C)Nc1cc(Oc2c(OC)cc3cc(ccc3c2OC)C#N)nc(Nc2ccc(cc2)C#N)n1

COc1cc2cc(ccc2c(OC)c1Oc1cc(NCC(C)(C)C)nc(Nc2ccc(cc2)C#N)n1)C#N

CCC(C)CNc1cc(Oc2c(OC)cc3cc(ccc3c2OC)C#N)nc(Nc2ccc(cc2)C#N)n1

CCCCCC(C)Nc1cc(Oc2c(OC)cc3cc(ccc3c2OC)C#N)nc(Nc2ccc(cc2)C#N)n1

CCCC(CCC)Nc1cc(Oc2c(OC)cc3cc(ccc3c2OC)C#N)nc(Nc2ccc(cc2)C#N)n1

COc1cc2cc(ccc2c(OC)c1Oc1cc(NCCCOC(C)C)nc(Nc2ccc(cc2)C#N)n1)C#N

COc1cc2cc(ccc2c(OC)c1Oc1cc(nc(Nc2ccc(cc2)C#N)n1)N1CCOCC1)C#N

COc1cc2cc(ccc2c(OC)c1Oc1cc(NCC(F)(F)F)nc(Nc2ccc(cc2)C#N)n1)C#N

COc1cc2cc(ccc2c(OC)c1Oc1cc(NC2CC2)nc(Nc2ccc(cc2)C#N)n1)C#N

COc1cc2cc(ccc2c(OC)c1Oc1cc(NCC2CC2)nc(Nc2ccc(cc2)C#N)n1)C#N

COc1cc2cc(ccc2c(OC)c1Oc1cc(NC2CCC2)nc(Nc2ccc(cc2)C#N)n1)C#N

COc1cc2cc(ccc2c(OC)c1Oc1cc(NC2CCCC2)nc(Nc2ccc(cc2)C#N)n1)C#N

COc1cc2cc(ccc2c(OC)c1Oc1cc(NC2CCCCC2)nc(Nc2ccc(cc2)C#N)n1)C#N

COc1cc2cc(ccc2c(OC)c1Oc1cc(NCCC2=CCCCC2)nc(Nc2ccc(cc2)C#N)n1)C#N |t:23|

COc1cc2cc(ccc2c(OC)c1Oc1cc(NC2CCOCC2)nc(Nc2ccc(cc2)C#N)n1)C#N

COc1cc2cc(ccc2c(OC)c1Oc1cc(NCC2CCOCC2)nc(Nc2ccc(cc2)C#N)n1)C#N

COc1cc2cc(ccc2c(OC)c1Oc1cc(NC2CCOC2)nc(Nc2ccc(cc2)C#N)n1)C#N

COc1cc2cc(ccc2c(OC)c1Oc1cc(NCC2CCOC2)nc(Nc2ccc(cc2)C#N)n1)C#N

COc1cc2cc(ccc2c(OC)c1Oc1cc(NCCCO)nc(Nc2ccc(cc2)C#N)n1)C#N

COc1cc2cc(ccc2c(OC)c1Oc1cc(NCC(O)CO)nc(Nc2ccc(cc2)C#N)n1)C#N

COc1cc2cc(ccc2c(OC)c1Oc1cc(NCCCCO)nc(Nc2ccc(cc2)C#N)n1)C#N

COc1cc2cc(ccc2c(OC)c1Oc1cc(nc(Nc2ccc(cc2)C#N)n1)N1CCC(O)C1)C#N

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(cc2)N2CCC(C2)NS(C)(=O)=O)nc2COCc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(cc2)N2CCC(C2)NS(N)(=O)=O)nc2COCc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(cc2)N2CCCC(C2)NS(C)(=O)=O)nc2COCc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(cc2)N2CCCC(C2)NS(N)(=O)=O)nc2COCc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(cc2)N2CCC(CC2)NS(C)(=O)=O)nc2COCc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(cc2)N2CCC(CC2)NS(N)(=O)=O)nc2COCc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(cc2)N2CCN(CC2)S(C)(=O)=O)nc2COCc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(cc2)N2CCN(CC2)S(N)(=O)=O)nc2COCc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(cc2)C2CCCN(CC2)S(C)(=O)=O)nc2COCc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(cc2)C2CCCN(CC2)S(N)(=O)=O)nc2COCc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc2COCc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(CC2)c2ccc(cc2)S(N)(=O)=O)nc2COCc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(CC2)c2ccc(cc2)S(C)(=O)=O)nc2COCc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(CC2)c2ccc(cc2)C(N)=O)nc2COCc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(CC2)c2ccc(N)cc2)nc2COCc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(CC2)c2ccc(NS(C)(=O)=O)cc2)nc2COCc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(CC2)c2ccc(NS(N)(=O)=O)cc2)nc2COCc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)nc2COCc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(C)(=O)=O)CC2)nc2COCc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)C(N)=O)CC2)nc2COCc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)[N+]([O-])=O)CC2)nc2COCc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(N)cc3)CC2)nc2COCc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)nc2COCc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(CN3CCN(CC3)S(N)(=O)=O)cc2)nc2COCc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(CN3CCN(CC3)S(C)(=O)=O)cc2)nc2COCc12

Cc1cnc(Nc2ccc(cc2)C#N)nc1Nc1c(F)cc(cc1F)-c1ccncc1

Cc1cnc(Nc2ccc(cc2)C#N)nc1Nc1c(F)cc(cc1F)-c1cccnc1

Cc1cnc(Nc2ccc(cc2)C#N)nc1Nc1c(F)cc(cc1F)-c1cncnc1

Cc1cnc(Nc2ccc(cc2)C#N)nc1Nc1c(F)cc(cc1F)-c1ccco1

Cc1cnc(Nc2ccc(cc2)C#N)nc1Nc1c(F)cc(cc1F)-c1ccoc1

Cc1cnc(Nc2ccc(cc2)C#N)nc1Nc1c(F)cc(cc1F)-c1cccs1

Cc1cnc(Nc2ccc(cc2)C#N)nc1Nc1c(F)cc(cc1F)-c1ccsc1

Cc1cnc(Nc2ccc(cc2)C#N)nc1Nc1c(F)cc(cc1F)-c1ccnc(F)c1

Cc1cnc(Nc2ccc(cc2)C#N)nc1Nc1c(F)cc(cc1F)-c1cc(F)nc(F)c1

Cc1cnc(Nc2ccc(cc2)C#N)nc1Nc1c(F)cc(cc1F)-c1cncc(c1)C(F)(F)F

Cc1cnc(Nc2ccc(cc2)C#N)nc1Nc1c(F)cc(cc1F)-c1cncc(c1)C#N

Cc1cnc(Nc2ccc(cc2)C#N)nc1Nc1c(F)cc(cc1F)-c1ccc(nc1)C#N

Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccco1

Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1cccs1

Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1cncnc1

Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccncc1

Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1cc2ccccc2s1

Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccnc2ccccc12

Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1cccc2cc[nH]c12

Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccc2cc[nH]c2c1

Cc1csc(c1)-c1cc(C)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(C)c1

Cc1ccc(s1)-c1cc(C)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(C)c1

Cc1cc(ccn1)-c1cc(C)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(C)c1

Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccnc(F)c1

Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccnc(c1)C(F)(F)F

Cc1cc(cc(C)n1)-c1cc(C)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(C)c1

Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1cc(F)nc(F)c1

Cc1ncc(cn1)-c1cc(C)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(C)c1

COc1ncc(cn1)-c1cc(C)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(C)c1

Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1cnc(nc1)C#N

Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1cnc(nc1)C(F)(F)F

OC(=O)c1nc([nH]c(=O)c1O)-c1cccc(O)c1

OC(=O)c1nc([nH]c(=O)c1O)-c1cccc(OCc2ccccc2)c1

c1cc(ccc1C2=NC(=C(C(=O)N2)O)C(=O)O)Cl

Nc1ccc2NC(=O)OC(C#CC3CC3)(c2c1)C(F)(F)F

CNc1ccc2NC(=O)OC(C#CC3CC3)(c2c1)C(F)(F)F

CCCC#CC1(OC(=O)Nc2ccc(N)cc12)C(F)(F)F

CC(C)C#CC1(OC(=O)Nc2ccc(cc12)[N+]([O-])=O)C(F)(F)F

[O-][N+](=O)c1ccc2NC(=O)OC(C#CC3CC3)(c2c1)C(F)(F)F

CCCC#CC1(OC(=O)Nc2cccc(F)c12)C(F)(F)F

CC(=O)Nc1ccc2NC(=O)OC(C#CC3CC3)(c2c1)C(F)(F)F

CC(C)C#CC1(OC(=O)Nc2ccc(N)cc12)C(F)(F)F

CCC#CC1(OC(=O)Nc2cccc(F)c12)C(F)(F)F

CCCC#CC1(OC(=O)Nc2ccc(cc12)[N+]([O-])=O)C(F)(F)F

CCC#CC1(OC(=O)Nc2ccc(cc12)[N+]([O-])=O)C(F)(F)F

CNc1ccc2NC(=O)OC(C#CC(C)C)(c2c1)C(F)(F)F

CCC#CC1(OC(=O)Nc2ccc(N)cc12)C(F)(F)F

CC(C)C#CC1(OC(=O)Nc2ccc(NC(C)=O)cc12)C(F)(F)F

Fc1cccc2NC(=O)OC(C#CC3CC3)(c12)C(F)(F)F

CC(C)C#CC1(OC(=O)Nc2cccc(F)c12)C(F)(F)F

OC(=O)c1cn(Cc2ccc(F)cc2)c2ccccc2c1=O

OC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(cc2c1=O)C#N

OC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(cc2c1=O)C(F)(F)F

CC(=O)c1ccc2n(Cc3ccc(F)cc3)cc(C(O)=O)c(=O)c2c1

OC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(cc2c1=O)[N+]([O-])=O

CS(=O)(=O)c1ccc2n(Cc3ccc(F)cc3)cc(C(O)=O)c(=O)c2c1

OC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(O)cc2c1=O

COc1ccc2n(Cc3ccc(F)cc3)cc(C(O)=O)c(=O)c2c1

OC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(Oc3ccccc3)cc2c1=O

CN(C)CCCOc1ccc2n(Cc3ccc(F)cc3)cc(C(O)=O)c(=O)c2c1

OC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(\C=C\C(=O)c3ccccc3)cc2c1=O

OC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3ccccc3)cc2c1=O

OC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3cccc(Cl)c3Cl)cc2c1=O

OC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2c1=O

OC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3cccc4ccccc34)cc2c1=O

OC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3ccc4ccccc4c3)cc2c1=O

OC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3ccc4OCOc4c3)cc2c1=O

OC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OCCCCc3ccccc3)cc2c1=O

OC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3ccc(cc3)-c3ccccc3)cc2c1=O

OC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3ccc(Oc4ccccc4)cc3)cc2c1=O

CCOC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(cc2c1=O)C#N

CCOC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(cc2c1=O)C(F)(F)F

CCOC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(cc2c1=O)C(C)=O

CCOC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(cc2c1=O)[N+]([O-])=O

CCOC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(cc2c1=O)S(C)(=O)=O

CCOC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(O)cc2c1=O

CCOC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OC)cc2c1=O

CCOC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(Oc3ccccc3)cc2c1=O

CCOC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3ccc(Oc4ccccc4)cc3)cc2c1=O

CCOC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3ccc(cc3)-c3ccccc3)cc2c1=O

CCOC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OCCCCc3ccccc3)cc2c1=O

CCOC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3ccc4OCOc4c3)cc2c1=O

CCOC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3ccc4ccccc4c3)cc2c1=O

CCOC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3cccc4ccccc34)cc2c1=O

CCOC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2c1=O

CCOC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3cccc(Cl)c3Cl)cc2c1=O

CCOC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3ccccc3)cc2c1=O

CCOC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(\C=C\C(=O)c3ccccc3)cc2c1=O

CCOC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OCCCN(C)C)cc2c1=O

Cc1onc(c1C(=O)c1ccc(O)c(c1)C(O)=O)-c1ccccc1Cl

Cc1ccc(\C=C2/SC(=S)N(CC(=O)Nc3ccc(cc3O)[N+]([O-])=O)C2=O)cc1

OC(=O)c1cc(NC(=O)CCN2C(=S)S\C(=C/c3cccs3)C2=O)ccc1O

Oc1ccccc1C(=O)NN1C(=S)SC(=Cc2ccc(Br)cc2)C1=O |w:15.16|

Cc1ccc(\C=C2/SC(=S)N(CC(=O)Nc3cc(ccc3O)[N+]([O-])=O)C2=O)cc1

OC(=O)c1ccc(NC(=O)CCN2C(=S)S\C(=C\c3cccs3)C2=O)cc1

OC(=O)c1ccc(NC(=O)CCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)cc1O

OC(=O)c1cccc(NC(=O)CCN2C(=S)S\C(=C/c3cccs3)C2=O)c1

COc1cc(\C=C2\SC(=S)N(CCC(=O)Nc3ccc(cc3)C(O)=O)C2=O)cc(OC)c1OC

OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3cccs3)C2=O)cc1O

O=C(CCN1C(=S)S\C(=C/c2ccc3OCOc3c2)C1=O)Nc1ccc2OCOc2c1

COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(O)c(c1)C(O)=O

COc1cccc(\C=C2\SC(=S)N(CC(=O)Nc3ccc(cc3O)[N+]([O-])=O)C2=O)c1

Oc1ccc(NC(=O)CN2C(=S)S\C(C2=O)=C2\SC(=S)N(CC(=O)Nc3ccc(O)cc3)C2=O)cc1

CCOC(=O)N1CCN(CC1)C(=O)CCN1C(=S)S\C(=C/c2ccc(OC)c(OC)c2)C1=O

OC(=O)c1ccc(cc1)S(=O)(=O)c1ccc2C(=O)N(C(=O)c2c1)c1ccc(O)c(c1)C(O)=O

OC(=O)c1cc(ccc1O)N1C(=O)c2ccc(Oc3ccc4c(O)n(c(O)c4c3)-c3ccc(O)c(c3)C(O)=O)cc2C1=O

OC(=O)c1cc(NCc2cccc(c2)C#Cc2ccccc2)ccc1O

[#8]-[#6](=O)-c1cc(ccc1-[#8])-c1ccc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)o1

NS(=O)(=O)c1ccc(NC(=O)CCN2C(=S)S\C(=C/c3ccc(F)cc3)C2=O)cc1

COc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3cccc(O)c3)C2=O)cc1OC

Cc1ccc(\C=C2\SC(=S)N(CC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1

OC(=O)c1cc(NC(=O)CCCN2C(=S)S\C(=C\c3cccs3)C2=O)ccc1O

OC(=O)c1ccc(NC(=O)CN2C(=S)S\C(C2=O)=C2\SC(=S)N(CC(=O)Nc3ccc(cc3)C(O)=O)C2=O)cc1

Cc1ccc(o1)C(=O)Nc1ccc(O)c(c1)C(O)=O

COc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1

C\C(\C=C1/SC(=S)N(CCC(=O)Nc2ccc(O)c(c2)C(O)=O)C1=O)=C/c1ccccc1

COc1cc(\C=C2/SC(=S)N(CC(=O)Nc3cc(Cl)ccc3O)C2=O)cc(OC)c1OC

COc1cc(cc(\C=C\C(O)=O)c1OC)S(=O)(=O)Nc1ccc(C(O)=O)c(O)c1

O\C(=C/C(=O)c1nc[nH]n1)c1ccc(Cc2ccc(F)cc2)[nH]1

Clc1ccc2[nH]cc(C(=O)CC(=O)c3nnn[nH]3)c2c1

Cc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1

O=C(CCCC1C(=S)SC(=Cc2cccs2)C1=O)Nc1nc2ccccc2s1 |w:10.10|

Oc1cccc(NC(=O)CCN2C(=S)S\C(=C/c3cccs3)C2=O)c1

OCCNc1nc2ccccn2c(=O)c1\C=C1/SC(=S)N(Cc2ccco2)C1=O

OC(=O)c1cc(NC(=S)NC(=O)c2ccccc2)ccc1O

CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3O)C2=O)ccc1O |w:6.5|

Oc1ccc(cc1NC(=O)CN1C(=S)S\C(=C/c2ccccc2Cl)C1=O)[N+]([O-])=O

Oc1cc(ccc1NC(=O)CN1C(=S)S\C(=C/c2ccccc2Cl)C1=O)[N+]([O-])=O

CCc1ccc(\C=C2\SC(=S)N(CC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1

COc1ccc(\C=C2\SC(=S)N(CCC(=O)Nc3ccc(C(O)=O)c(O)c3)C2=O)cc1OC

COc1ccccc1\C=C1\SC(=S)N(CCC(=O)Nc2ccc(O)cc2)C1=O

CCc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3ccc(O)c(c3)C(O)=O)C2=O)cc1

COc1cccc(\C=C2\SC(=S)N(CC(=O)Nc3cccc(c3)C(O)=O)C2=O)c1

CCOc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1

Cc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3nccs3)C2=O)cc1

CCOc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3ccc(O)c(c3)C(O)=O)C2=O)cc1

OC(=O)c1cccc(NC(=O)CN2C(=S)S\C(=C/c3ccccc3Cl)C2=O)c1

Cc1nc(=O)c(c(C)n1-c1ccc(O)c(c1)C(O)=O)-c1ccccc1

Oc1ccc(\C=C2/SC(=S)N(C2=O)c2ccccc2)c(O)c1

O\C(=C/C(=O)c1cc[nH]c1)c1ccc(Cc2ccc(F)cc2)o1

O=C(CCN1C(=S)S\C(=C/c2cccs2)C1=O)Nc1ccc2ccccc2c1

OC(=O)c1cc(NC(=O)CCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)ccc1O

Cc1ccc2nc([nH]c2c1)C(=Cc1ccc(o1)-c1ccc(O)c(c1)C(O)=O)C#N |w:11.13|

[O-][N+](=O)c1ccc(NC(=O)CCN2C(=S)S\C(=C/c3ccccc3Cl)C2=O)cc1

Fc1ccc(Cc2ccc(o2)C(=O)CC(=O)c2nnc[nH]2)cc1

[H][C@@]12C3=c4c5c6c7c8C(=C9c%10c1c1c%11c%12-c%13c%14c%15c%16c%17c%18c(c4c4c5c5c7c7c%19c8[C@]8%20[C@@H](N(CC(O)=O)C[C@]98[C@]([H])(c%10%12)[C@]8([H])c%13c9c%10c8c%20c%19c8c%10c%10c(c%159)c%16c9c%18c4c4c9c%10c8c7c54)C(O)=O)[C@@]([H])([C@@]31[H])[C@@]%17([H])[C@@]%11%14[H])[C@@]26[H] |c:2,t:8|

[H][C@@]12C3=c4c5c6c7c8C(=C9c%10c1c1c%11c%12-c%13c%14c%15c%16c%17c%18c(c4c4c%19c%18c%18c%16c%16c%15c%15c%13[C@]%13([H])c%20c%21c%22c(c8[C@@]%218[C@@H]([C@@H](CC(O)=C)[C@@H](C(O)=O)[C@]98[C@]%13([H])c%10%12)C(O)=O)c8c7c(c7c8c8c%22c(c%15%20)c%16c8c%18c%197)c54)[C@@]([H])([C@@]31[H])[C@@]%17([H])[C@@]%11%14[H])[C@@]26[H] |c:2,t:8|

CCCCCCCCCC[N@@+]1(C)C[C@]23[C@H]4[C@@H]5C6=C7c8c4c4C2=C2[C@H]9[C@H]%10c4c-4c8[C@@H]8[C@@H]%11c%12c-4c%10c4c%10c9c9c2c2c%13c%14c(c5c5c6c6c%15c%16c(c%11c%11c%12c4c4c%10c%10c9c%13c9c%12c%14c5c%15c%12c5c%16c%11c4c5c%109)[C@]64C[N+](C)(C)C[C@@]784)[C@@]32C1 |c:16,t:23|

C[N+]1(C)C[C@]23[C@H]4[C@@H]5C6=C7c8c4c4C2=C2[C@H]9[C@H]%10c4c-4c8[C@@H]8[C@@H]%11c%12c-4c%10c4c%10c9c9c2c2c%13c%14c(c5c5c6c6c%15c%16c(c%11c%11c%12c4c4c%10c%10c9c%13c9c%12c%14c5c%15c%12c5c%16c%11c4c5c%109)[C@]64C[N+](C)(C)C[C@@]784)[C@@]32C1 |wU:67.94,19.22,14.15,20.50,wD:4.13,6.6,68.99,61.86,5.10,15.28,c:7,t:14,(-4.73,2.21,;-3.99,2.94,;-4.27,3.96,;-2.71,3.74,;-1.44,2.42,;.39,2.73,;1.52,1.26,;2.96,.81,;3.34,1.72,;2.33,3.05,;.89,3.55,;-.61,3.89,;-1.99,3.21,;-3.43,2.65,;-3.6,2.78,;-2.09,3.53,;-.61,4.01,;.81,3.53,;2.34,3.18,;3.6,1.9,;3.09,.92,;1.42,1.35,;.37,2.62,;-1.4,2.49,;-2.13,.95,;-3.48,.28,;-4.21,1.1,;-4.56,.17,;-4.1,1.07,;-3.48,.2,;-3.33,-1.54,;-1.89,-1.97,;-1.16,-.48,;.61,-.36,;1.63,-1.65,;3.01,-.97,;3.65,-1.78,;2.93,-3.28,;2.95,-3.27,;3.71,-1.77,;3.17,-.95,;1.72,-1.54,;.69,-.18,;-1.08,-.38,;-1.81,-1.88,;-3.29,-1.46,;-3.76,-2.42,;-4.38,-1.6,;-3.8,-2.45,;-2.78,-3.78,;-1.3,-4.21,;-.85,-3.31,;.91,-3.15,;1.53,-3.95,;.18,-4.61,;.2,-4.6,;1.56,-3.92,;.96,-3.06,;-.79,-3.23,;-1.27,-4.17,;-2.76,-3.77,;4.16,-.86,;5.06,-1.37,;6.23,-.06,;6.99,-.8,;6.97,.68,;5.09,1.19,;4.09,.89,;-2.14,.84,;-3.45,1.35,)|

[H][C@@]12C3=c4c5c6c7c8C(=C9c%10c%11c%12-c%13c%14c%15c%16c%17c%18c(c4c4c5c5c7c7c%19c8[C@]8%20C[N+](C)(C)C[C@]98[C@@]%11([H])[C@]8([H])c%13c9c%11c8c%20c%19c8c%11c%11c(c%159)c%16c9c%18c4c4c9c%11c8c7c54)[C@@]45C[N+](C)(C)C[C@@]34c(c1%10)c%12[C@]%14([H])[C@@]%175[H])[C@@]26[H]

[H][C@@]12C3=C4c5c6c7-c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%13c%13c%11c%11c%10c%10c8[C@]8([H])c%18c%19c%20c%21c(c3c3c1c(c%16c1c3c%21c3c%16c%20c(c%10%18)c%11c%16c%13c%17c13)c%15=C1[C@]2([H])c5c2c7[C@]9([H])[C@]%12([H])[C@@]%143C(C(O)=O)(C(O)=O)[C@]123)[C@@]%191C(C(O)=O)(C(O)=O)[C@]41[C@]68[H] |c:2,t:68|

C[N+]1(C)C[C@@]23[C@@H]4[C@@H]5c6c7-c8c5c5c9c%10c%11c%12[C@H]%13[C@H]%14c%15c%16C%17=C%18[C@H]%19[C@@H]%20C(C%21=C2[C@H]2[C@H]%22c(c%21c%16%20)c%15-c%12c%22c%10c5=C42)=C2c4c%19c5c%18c%10c%12c%15c(c%13c%11c%11c%15c(c8c9%11)c8c7c(c4c6[C@]32C1)c5c%128)[C@]%101C[N+](C)(C)C[C@]%14%171 |wU:69.100,63.92,59.83,27.28,17.18,16.61,wD:4.27,22.22,5.47,23.24,28.41,6.10,c:21,26,46,49,(-6.34,1.46,;-5.6,.71,;-6.13,-.2,;-5.05,1.81,;-3.77,1.72,;-4.35,.86,;-4.38,-.91,;-3.85,-1.82,;-2.98,-3.27,;-3,-3.26,;-3.85,-1.81,;-3.31,-.9,;-1.9,-1.47,;-1.01,-.05,;.77,-.07,;1.68,1.38,;3.3,.76,;3.94,1.7,;2.84,3.1,;2.84,2.99,;3.72,1.53,;3.26,.66,;1.89,1.28,;.92,2.86,;-.95,2.76,;-1.43,3.61,;-2.94,3.19,;-3.13,3.36,;-1.56,3.93,;-.02,4.25,;.01,4.14,;1.48,3.63,;1.34,3.61,;.77,2.77,;-1,2.83,;-1.89,1.38,;-3.31,.86,;-3.92,1.75,;-1.81,1.27,;-.96,-.16,;.82,-.23,;1.68,-1.63,;3.11,-1.11,;3.64,-1.98,;2.76,-3.38,;2.75,-3.38,;3.66,-1.97,;3.18,-1.11,;1.66,-1.54,;.74,-2.95,;1.28,-3.88,;-.14,-4.4,;-1.57,-3.83,;-1.01,-2.94,;-.13,-4.42,;-1.55,-3.86,;-.98,-3.02,;-1.85,-1.57,;-3.26,-.98,;-3.23,.76,;-4.53,-.12,;.79,-3.03,;1.3,-3.91,;4.23,-1.12,;5.23,-1.39,;6.22,-.29,;7.27,.76,;7.27,-1.34,;5.34,.92,;4.34,.63,)|

CCOC(=O)N1c2ccccc2NC(=O)C1(C#CC1CC1)C(F)(F)F

CC(C)OC(=O)N1c2ccccc2NC(=O)C1(C#CC1CC1)C(F)(F)F

CC(=C)OC(=O)N1c2ccccc2NC(=O)C1(C#CC1CC1)C(F)(F)F

CCOC(=O)N1c2cc(Cl)ccc2NC(=O)C1(C#CC1CC1)C(F)(F)F

CC(C)OC(=O)N1c2cc(Cl)ccc2NC(=O)C1(C#CC1CC1)C(F)(F)F

CC(=C)OC(=O)N1c2cc(Cl)ccc2NC(=O)C1(C#CC1CC1)C(F)(F)F

CCOC(=O)N1c2cc(F)ccc2NC(=O)C1(C#CC1CC1)C(F)(F)F

CC(C)OC(=O)N1c2cc(F)ccc2NC(=O)C1(C#CC1CC1)C(F)(F)F

CC(=C)OC(=O)N1c2cc(F)ccc2NC(=O)C1(C#CC1CC1)C(F)(F)F

CCOC(=O)N1c2ccccc2NC(=O)[C@]1(C#CC1CC1)C(F)(F)F |r|

Clc1ccc2NC(=O)CN(c2c1)S(=O)(=O)c1c(Cl)cccc1Cl

COC(=O)c1sccc1S(=O)(=O)N1C(C)C(=O)Nc2ccc(F)cc12

COC(=O)c1sccc1S(=O)(=O)N1C(C)C(=O)Nc2ccc(Cl)cc12

COC(=O)c1sc(Cl)cc1S(=O)(=O)N1C(C)C(=O)Nc2ccc(Cl)cc12

COC(=O)c1sc(I)cc1S(=O)(=O)N1C(C)C(=O)Nc2ccc(Cl)cc12

CCC(=O)N1CC(=O)Nc2ccccc12

CC(C)COC(=O)N1[C@H](C)C(=O)Nc2ccccc12 |r|

CC(C)COC(=O)N1[C@H](CC(C)C)C(=O)Nc2ccccc12 |r|

CC(C)Cc1nc2ccccc2[nH]c1=O

[#6]\[#6](-[#6])=[#6]\[#6]-c1c2-[#8]-[#6@@H](-[#6]-c2cc2cc(c(=O)oc12)C([#6])([#6])[#6]=[#6])C([#6])([#6])[#8] |r|

CC(C)(O)[C@H](O)Cc1cc2cc(c(=O)oc2cc1O)C(C)(C)C=C |r|

CC(C)(O)[C@H]1Oc2cc3oc(=O)c(cc3cc2[C@@H]1O)C(C)(C)C=C |r|

[#6]\[#6](-[#6])=[#6]\[#6]-c1cc2ccc(=O)oc2c(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8]

CO[C@H](Cc1cc2ccc(=O)oc2cc1O)C(C)(C)O |r|

CC(C)(O)C(=O)Cc1cc2ccc(=O)oc2cc1O

CC(=O)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 |r|

OCC(=C)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 |r|

CC(=C)[C@@H]1Cc2c(O1)cc1oc(=O)ccc1c2O |r|

CC1(C)CCc2cc3cc(O)c(=O)oc3cc2O1

COc1cc2cc3CCC(C)(C)Oc3cc2oc1=O

CC1(C)Oc2cc3oc(=O)ccc3cc2[C@@H](O)[C@@H]1O |r|

COc1cc2oc(=O)c(cc2cc1CC(=O)C(C)C)C(C)(C)C=C

CO[C@H](Cc1cc2cc(c(=O)oc2cc1OC)C(C)(C)C=C)C(C)(C)O |r|

CCO[C@H](Cc1cc2cc(c(=O)oc2cc1OC)C(C)(C)C=C)C(C)(C)O |r|

[#6]\[#6](-[#6])=[#6]\[#6]-c1cc2cc(c(=O)oc2cc1-[#8])C([#6])([#6])[#6]=[#6]

[#6]-[#8]-c1cc2oc(=O)c(cc2cc1-[#6]\[#6]=[#6](\[#6])-[#6])C([#6])([#6])[#6]=[#6]

[#6]-[#8]-c1cc2oc(=O)c(cc2c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6])C([#6])([#6])[#6]=[#6]

COc1cc2oc(=O)c(cc2cc1CC=O)C(C)(C)C=C

COc1cc2oc(=O)ccc2cc1C[C@@H](O)C(C)(C)OC |r|

CO[C@H](Cc1cc2ccc(=O)oc2cc1OC)C(C)(C)O |r|

COc1cc2oc(=O)ccc2cc1CC(=O)C(C)C

COc1cc2oc(CO)cc(=O)c2c(O)c1CCC(C)(C)O

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc(-[#6]-[#8])cc(=O)c2c1-[#8]

[#6]-[#8]-c1cc2oc(-[#6]-[#8])cc(=O)c2c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6]

[#6]-[#8]-c1cc2oc(-[#6]-[#8])cc(=O)c2c(-[#8]-[#6])c1-[#6]\[#6]=[#6](\[#6])-[#6]

COc1c2C=CC(C)(C)Oc2cc2oc(CO)cc(=O)c12 |c:4|

O[C@H]1C[C@@](O)(C[C@H](O)[C@H]1O)C(O)=O |r,wU:6.6,wD:8.9,1.0,3.3,(31.01,-11.44,;29.68,-10.66,;29.69,-9.11,;28.36,-8.34,;27.02,-7.56,;27.02,-9.1,;27.02,-10.64,;25.68,-11.4,;28.35,-11.42,;28.34,-12.96,;29.69,-7.55,;31.03,-8.31,;29.67,-6.01,)|

COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO |r|

c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3cc(cc4c3ccc(c4)C#N)F

COC(=O)\C=C\c1c([nH]c2ccccc12)-c1cccs1

COC(=O)\C=C/c1c([nH]c2ccccc12)-c1cccs1

Oc1ccc(cc1)C1SCC(=O)N1c1nc2ccc(Cl)cc2s1

Fc1ccc(cc1)C1SCC(=O)N1c1nc2c(Cl)cccc2s1

C=CCOCc1cn(C2CCON2C(=O)OCc2ccccc2)c(=O)[nH]c1=O

O=C(OCc1ccccc1)N1OCCC1n1cc(COCC#C)c(=O)[nH]c1=O

O=C(OCc1ccccc1)N1OCCC1n1cc(COCc2ccccc2)c(=O)[nH]c1=O

Nc1ccc(cc1)S(=O)(=O)N1CCN(C(C1)C(=O)Nc1ccccc1)C(=O)c1cc(O)c(O)c(O)c1

CN(C(=O)C1CN(CCN1C(=O)c1cc(O)c(O)c(O)c1)S(=O)(=O)c1ccc(N)cc1)c1ccccc1

Oc1cc(cc(O)c1O)C(=O)N1CCN(CC1C(=O)Nc1ccccc1)S(=O)(=O)c1ccc(cc1)C#N

CN(C(=O)C1CN(CCN1C(=O)c1cc(O)c(O)c(O)c1)S(=O)(=O)c1ccc(cc1)C#N)c1ccccc1

COc1ccc(CNC(=O)C2CN(CCN2C(=O)c2cc(O)c(O)c(O)c2)S(=O)(=O)c2ccc(N)cc2)cc1

Nc1ccc(cc1)S(=O)(=O)N1CCN(C(C1)C(=O)NCc1ccco1)C(=O)c1cc(O)c(O)c(O)c1

COc1ccc(CNC(=O)C2CN(CCN2C(=O)c2cc(O)c(O)c(O)c2)S(=O)(=O)c2ccc(cc2)C#N)cc1

Nc1ccc(cc1)S(=O)(=O)N1CCN(C(C1)C(=O)NCc1cccs1)C(=O)c1cc(O)c(O)c(O)c1

Nc1ccc(cc1)S(=O)(=O)N1CCN(C(C1)C(=O)NCc1ccc(cc1)-c1ccccc1)C(=O)c1cc(O)c(O)c(O)c1

Oc1cc(cc(O)c1O)C(=O)N1CCN(CC1C(=O)NCc1ccc(cc1)-c1ccccc1)S(=O)(=O)c1ccc(cc1)C#N

Oc1cc(cc(O)c1O)C(=O)N1CCN(CC1C(=O)NCc1ccco1)S(=O)(=O)c1ccc(cc1)C#N

Oc1cc(cc(O)c1O)C(=O)N1CCN(CC1C(=O)NCc1ccc2ccccc2c1)S(=O)(=O)c1ccc(cc1)C#N

Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)Nc1ccccc1)C(=O)c1cc(O)c(O)c(O)c1

CN(C(=O)C1CN(CCN1S(=O)(=O)c1ccc(N)cc1)C(=O)c1cc(O)c(O)c(O)c1)c1ccccc1

COc1ccc(CNC(=O)C2CN(CCN2S(=O)(=O)c2ccc(N)cc2)C(=O)c2cc(O)c(O)c(O)c2)cc1

Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NCc1ccco1)C(=O)c1cc(O)c(O)c(O)c1

Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NCc1cccc2ccccc12)C(=O)c1cc(O)c(O)c(O)c1

Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NCc1cccs1)C(=O)c1cc(O)c(O)c(O)c1

Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NCc1ccc(cc1)-c1ccccc1)C(=O)c1cc(O)c(O)c(O)c1

CC(C)(C)OC(=O)N1CCC2(CCN(C2)C(=O)C2CN(CCN2S(=O)(=O)c2ccc(N)cc2)C(=O)c2cc(O)c(O)c(O)c2)C1

Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)c1cc(O)c(O)c(O)c1

Cn1c(Cn2ccc(c(Oc3ccc(cc3)-c3cccc(c3)C#N)c2=O)C(F)(F)F)n[nH]c1=O

Cn1c(Cn2ccc(c(Oc3ccc(cc3)-c3cc(F)cc(c3)C#N)c2=O)C(F)(F)F)n[nH]c1=O

Cn1c(Cn2ccc(c(Oc3ccc(cc3)-c3ccc(cc3)C#N)c2=O)C(F)(F)F)n[nH]c1=O

Cn1c(Cn2ccc(c(Oc3ccc(c(F)c3)-c3cccc(c3)C#N)c2=O)C(F)(F)F)n[nH]c1=O

Cn1c(Cn2ccc(c(Oc3ccc(c(F)c3)-c3cccc(F)c3)c2=O)C(F)(F)F)n[nH]c1=O

Cc1cccc(c1)-c1ccc(Oc2c(ccn(Cc3n[nH]c(=O)n3C)c2=O)C(F)(F)F)cc1F

Cn1c(Cn2ccc(c(Oc3ccc(c(F)c3)-c3ccc(F)c(c3)C#N)c2=O)C(F)(F)F)n[nH]c1=O

Cn1c(Cn2ccc(c(Oc3ccc(c(F)c3)-c3cc(F)cc(c3)C#N)c2=O)C(F)(F)F)n[nH]c1=O

Cn1c(Cn2ccc(c(Oc3ccc(c(F)c3)-c3ccc(cc3)C#N)c2=O)C(F)(F)F)n[nH]c1=O

Cc1ccccc1-c1ccc(Oc2c(ccn(Cc3n[nH]c(=O)n3C)c2=O)C(F)(F)F)cc1F

Cn1c(Cn2ccc(c(Oc3ccc(c(F)c3F)-c3cccc(c3)C#N)c2=O)C(F)(F)F)n[nH]c1=O

Cc1cc(Oc2c(ccn(Cc3n[nH]c(=O)n3C)c2=O)C(F)(F)F)ccc1-c1cccc(c1)C#N

Cc1cc(Oc2c(ccn(Cc3n[nH]c(=O)n3C)c2=O)C(F)(F)F)ccc1-c1cccc(F)c1

Cc1cccc(c1)-c1ccc(Oc2c(ccn(Cc3n[nH]c(=O)n3C)c2=O)C(F)(F)F)cc1C

Cc1cc(Oc2c(ccn(Cc3n[nH]c(=O)n3C)c2=O)C(F)(F)F)ccc1-c1ccc(F)c(c1)C#N

Cc1cc(Oc2c(ccn(Cc3n[nH]c(=O)n3C)c2=O)C(F)(F)F)ccc1-c1cc(F)cc(c1)C#N

Cc1cc(Oc2c(ccn(Cc3n[nH]c(=O)n3C)c2=O)C(F)(F)F)ccc1-c1ccc(cc1)C#N

Cn1c(Cn2ccc(c(Oc3ccc(cc3F)-c3cccc(c3)C#N)c2=O)C(F)(F)F)n[nH]c1=O

Cn1c(Cn2ccc(c(Oc3ccc(cc3F)-c3ccc(F)c(c3)C#N)c2=O)C(F)(F)F)n[nH]c1=O

Cn1c(Cn2ccc(c(Oc3ccc(cc3F)-c3cc(F)cc(c3)C#N)c2=O)C(F)(F)F)n[nH]c1=O

Cn1c(Cn2ccc(c(Oc3ccc(cc3F)-c3ccc(cc3)C#N)c2=O)C(F)(F)F)n[nH]c1=O

Cn1c(Cn2ccc(c(Oc3ccc(cc3Cl)-c3cccc(c3)C#N)c2=O)C(F)(F)F)n[nH]c1=O

Cn1c(Cn2ccc(c(Oc3ccc(cc3Cl)-c3ccc(F)c(c3)C#N)c2=O)C(F)(F)F)n[nH]c1=O

Cc1cc(ccc1Oc1c(ccn(Cc2n[nH]c(=O)n2C)c1=O)C(F)(F)F)-c1cccc(c1)C#N

Cc1cc(ccc1Oc1c(ccn(Cc2n[nH]c(=O)n2C)c1=O)C(F)(F)F)-c1cccc(F)c1

Cc1cc(ccc1Oc1c(ccn(Cc2n[nH]c(=O)n2C)c1=O)C(F)(F)F)-c1ccc(F)c(c1)C#N

Cc1cc(ccc1Oc1c(ccn(Cc2n[nH]c(=O)n2C)c1=O)C(F)(F)F)-c1cc(F)cc(c1)C#N

Cc1cc(ccc1Oc1c(ccn(Cc2n[nH]c(=O)n2C)c1=O)C(F)(F)F)-c1ccc(cc1)C#N

Cc1cc(ccc1Oc1c(ccn(Cc2n[nH]c(=O)n2C)c1=O)C(F)(F)F)-c1ccc(F)cc1

COc1cc(ccc1Oc1c(ccn(Cc2n[nH]c(=O)n2C)c1=O)C(F)(F)F)-c1cccc(c1)C#N

COc1cc(ccc1Oc1c(ccn(Cc2n[nH]c(=O)n2C)c1=O)C(F)(F)F)-c1ccc(F)c(c1)C#N

COc1cc(ccc1Oc1c(ccn(Cc2n[nH]c(=O)n2C)c1=O)C(F)(F)F)-c1cc(F)cc(c1)C#N

COc1cc(ccc1Oc1c(ccn(Cc2n[nH]c(=O)n2C)c1=O)C(F)(F)F)-c1ccc(cc1)C#N

Cn1c(Cn2ccc(c(Oc3c(F)cc(cc3F)-c3cccc(c3)C#N)c2=O)C(F)(F)F)n[nH]c1=O

Cn1c(Cn2ccc(c(Oc3c(F)cc(cc3F)-c3cccc(F)c3)c2=O)C(F)(F)F)n[nH]c1=O

Cn1c(Cn2ccc(c(Oc3c(F)cc(cc3F)-c3ccc(F)c(c3)C#N)c2=O)C(F)(F)F)n[nH]c1=O

Cn1c(Cn2ccc(c(Oc3c(F)cc(cc3F)-c3cc(F)cc(c3)C#N)c2=O)C(F)(F)F)n[nH]c1=O

Cn1c(Cn2ccc(c(Oc3c(F)cc(cc3F)-c3ccc(cc3)C#N)c2=O)C(F)(F)F)n[nH]c1=O

Cn1c(Cn2ccc(c(Oc3cc(cc(c3)-c3cccc(c3)C#N)C#N)c2=O)C(F)(F)F)n[nH]c1=O

Cn1c(Cn2ccc(c(Oc3cc(cc(c3)-c3cccc(F)c3)C#N)c2=O)C(F)(F)F)n[nH]c1=O

Cc1cccc(c1)-c1cc(Oc2c(ccn(Cc3n[nH]c(=O)n3C)c2=O)C(F)(F)F)cc(c1)C#N

Cn1c(Cn2ccc(c(Oc3cc(cc(c3)-c3ccc(F)c(c3)C#N)C#N)c2=O)C(F)(F)F)n[nH]c1=O

Cn1c(Cn2ccc(c(Oc3cc(cc(c3)-c3cc(F)cc(c3)C#N)C#N)c2=O)C(F)(F)F)n[nH]c1=O

Cn1c(Cn2ccc(c(Oc3cc(cc(c3)-c3ccc(cc3)C#N)C#N)c2=O)C(F)(F)F)n[nH]c1=O

Cn1c(Cn2ccc(c(Oc3cc(cc(c3)-c3ccc(F)cc3)C#N)c2=O)C(F)(F)F)n[nH]c1=O

Cc1ccc(cc1)-c1cc(Oc2c(ccn(Cc3n[nH]c(=O)n3C)c2=O)C(F)(F)F)cc(c1)C#N

CN1C(=NNC1=O)CN2C=CC(=C(C2=O)Oc3cc(cc(c3)Cl)C#N)C(F)(F)F

Cn1c(Cn2ccc(c(Oc3ccc(cc3Cl)-c3cc(F)cc(c3)C#N)c2=O)C(F)(F)F)n[nH]c1=O

Cn1c(Cn2ccc(c(Oc3ccc(cc3Cl)-c3ccc(cc3)C#N)c2=O)C(F)(F)F)n[nH]c1=O

Cn1nc(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3nnnc1c23

Cn1nc(N)c2cn(C3O[C@H](CO)[C@H](O)[C@@H]3O)c3ncnc1c23

CCc1cc(NCN2C(=O)c3ccccc3C2=O)c(O)nc1C

CCc1cc(NCc2nc3ccccc3o2)c(O)nc1C

CCc1cc(NCc2cc3ccccc3o2)c(O)nc1C

OC(=O)c1ccc2ccc(\C=C\c3ccc(O)c(O)c3)nc2c1O

Oc1ccc(\C=C\c2ccc3ccc(C(=O)c4ccc(cc4)[N+]([O-])=O)c(O)c3n2)cc1O

Oc1ccc(\C=C\c2ccc3ccc(C(=O)c4ccccc4[N+]([O-])=O)c(O)c3n2)cc1O

Oc1ccc(\C=C\c2ccc3ccc(C(=O)c4ccc(F)c(F)c4)c(O)c3n2)cc1O

Oc1ccc(\C=C\c2ccc3ccc(C(=O)c4cccnc4)c(O)c3n2)cc1O

Oc1ccc(cc1)C(=O)c1ccc2ccc(\C=C\c3ccc(O)c(O)c3)nc2c1O

Cc1nc(sc1CO)[C@H](CNC1CCC1)NC(=O)c1ccc([nH]1)-c1ccc(Cl)cc1 |r|

NC[C@@H](NC(=O)c1ccc([nH]1)-c1ccc(Cl)c(F)c1)c1ncc(CO)s1 |r|

Cc1ccc(cc1F)-c1ccc([nH]1)C(=O)N[C@H](CN)c1ncc(CO)s1 |r|

Cc1nc(sc1CO)[C@@H](CN)NC(=O)c1ccc([nH]1)-c1ccc(F)c(F)c1 |r|

Cc1nc(sc1CO)[C@H](CN)NC(=O)c1ccc([nH]1)-c1ccc(Cl)c(F)c1 |r|

NC[C@H](NC(=O)c1ccc([nH]1)-c1cc(F)c(Cl)c(F)c1)c1ncc(CO)s1 |r|

NC[C@H](NC(=O)c1ccc([nH]1)-c1ccc(cc1)C(F)(F)F)c1nc(CO)cs1 |r|

Cc1cc([nH]c1C(=O)N[C@@H](CN)c1ncc(CO)s1)-c1ccc(cn1)C(F)(F)F |r|

NC[C@H](NC(=O)c1ccc([nH]1)-c1ccc(cn1)C(F)(F)F)c1nc(CO)cs1 |r|

Cc1cc([nH]c1C(=O)N[C@H](CN)c1nc(CO)cs1)-c1ccc(cn1)C(F)(F)F |r|

Cc1sc(nc1S)C(CO)NC(=O)c1[nH]c(cc1CN)-c1ccc2OCOc2c1

NCc1cc([nH]c1C(=O)NC(CO)c1nc(S)cs1)-c1ccc2OCOc2c1

CNCc1cc([nH]c1C(=O)NCc1nc(S)c(CO)s1)-c1ccc2OCOc2c1

CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc4c(cccc4c3)C(O)=O)cnc12

CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc(C(O)=O)c4ccccc34)cnc12

CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc(cc3CC)C(O)=O)cnc12

CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc(cc3)C(O)=O)cnc12

CCN1c2nc(OC)ccc2N(C)C(=O)c2cc(CCOc3ccc(cc3C)C(O)=O)cnc12

CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3cccc4c(cccc34)C(O)=O)cnc12

CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc(CCC(O)=O)cc3C)cnc12

CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc(cc3C)C(O)=O)cnc12

CCN1c2nc(C)ccc2N(C)C(=O)c2cc(CCOc3ccc(cc3C)C(O)=O)cnc12

CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc(cc3Br)C(O)=O)cnc12

CCN1c2ncc(CCOc3ccc(cc3C)C(O)=O)cc2C(=O)N(C)c2ccc(Cl)nc12

CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc(CC(O)=O)cc3C)cnc12

CCN1c2ncc(CCOc3ccc(cc3C)C(O)=O)cc2C(=O)N(C)c2ccc(F)nc12

CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc4cc(ccc4c3)C(O)=O)cnc12

CC(C)CC(=O)c1c(O)c2c(cc(=O)oc2c2C=CC(C)(C)Oc12)-c1ccccc1 |c:18|

[#6]-[#8]-c1c(-[#6](=O)-[#6]-[#6](-[#6])-[#6])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2oc(=O)cc(-c3ccccc3)c12

[#6]-[#6](-[#6])-[#6](=O)-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2c(cc(=O)oc12)-c1ccccc1

[#6]-[#6](-[#6])-[#6](=O)-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2oc(=O)cc(-c3ccccc3)c2c1-[#8]

CC(C)CC(=O)c1c(O)c(CC(=O)C(C)C)c2oc(=O)cc(-c3ccccc3)c2c1O

CC(C)CC(=O)c1c(O)cc(O)c2c(cc(=O)oc12)-c1ccccc1

CC(C)C(=O)c1c(O)c2c(cc(=O)oc2c2C=CC(C)(C)Oc12)-c1ccccc1 |c:17|

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2c(cc(=O)oc12)-c1ccccc1

CC1CN(C2C[C@H](CO)C(C2)N=[N+]=[N-])C(O)=NC1=O |c:16|

Cc1cc(cc(C)c1Oc1cc(N)nc(Nc2ccc(cc2)C#N)n1)-c1ccccc1

Cc1cc(cc(C)c1Oc1cc(N)nc(Nc2ccc(cc2)C#N)n1)-c1ccccc1F

Cc1cc(cc(C)c1Oc1cc(N)nc(Nc2ccc(cc2)C#N)n1)-c1cccc(F)c1

Cc1cc(cc(C)c1Oc1cc(N)nc(Nc2ccc(cc2)C#N)n1)-c1ccc(F)cc1

Cc1cc(cc(C)c1Oc1cc(N)nc(Nc2ccc(cc2)C#N)n1)-c1ccccc1Cl

Cc1cc(cc(C)c1Oc1cc(N)nc(Nc2ccc(cc2)C#N)n1)-c1cccc(Cl)c1

Cc1cc(cc(C)c1Oc1cc(N)nc(Nc2ccc(cc2)C#N)n1)-c1ccc(Cl)cc1

Cc1ccccc1-c1cc(C)c(Oc2cc(N)nc(Nc3ccc(cc3)C#N)n2)c(C)c1

Cc1cccc(c1)-c1cc(C)c(Oc2cc(N)nc(Nc3ccc(cc3)C#N)n2)c(C)c1

Cc1ccc(cc1)-c1cc(C)c(Oc2cc(N)nc(Nc3ccc(cc3)C#N)n2)c(C)c1

COc1ccccc1-c1cc(C)c(Oc2cc(N)nc(Nc3ccc(cc3)C#N)n2)c(C)c1

COc1cccc(c1)-c1cc(C)c(Oc2cc(N)nc(Nc3ccc(cc3)C#N)n2)c(C)c1

COc1ccc(cc1)-c1cc(C)c(Oc2cc(N)nc(Nc3ccc(cc3)C#N)n2)c(C)c1

Cc1cc(cc(C)c1Oc1cc(N)nc(Nc2ccc(cc2)C#N)n1)-c1ccccc1C#N

Cc1cc(cc(C)c1Oc1cc(N)nc(Nc2ccc(cc2)C#N)n1)-c1cccc(c1)C#N

Cc1cc(cc(C)c1Oc1cc(N)nc(Nc2ccc(cc2)C#N)n1)-c1ccc(cc1)C#N

Cc1cc(cc(C)c1Oc1cc(N)nc(Nc2ccc(cc2)C#N)n1)-c1ccc(C#N)c(F)c1

Cc1cc(cc(C)c1Oc1cc(N)nc(Nc2ccc(cc2)C#N)n1)-c1ccc(C#N)c(c1)C#N

Cc1cc(ccc1Oc1cc(N)nc(Nc2ccc(cc2)C#N)n1)-c1ccccc1

Cc1cc(ccc1Oc1cc(N)nc(Nc2ccc(cc2)C#N)n1)-c1ccccc1F

Cc1cc(ccc1Oc1cc(N)nc(Nc2ccc(cc2)C#N)n1)-c1cccc(F)c1

Cc1cc(ccc1Oc1cc(N)nc(Nc2ccc(cc2)C#N)n1)-c1ccc(F)cc1

Cc1cc(ccc1Oc1cc(N)nc(Nc2ccc(cc2)C#N)n1)-c1ccccc1C#N

Cc1cc(ccc1Oc1cc(N)nc(Nc2ccc(cc2)C#N)n1)-c1cccc(c1)C#N

Cc1cc(ccc1Oc1cc(N)nc(Nc2ccc(cc2)C#N)n1)-c1ccc(cc1)C#N

Cc1cc(ccc1Oc1cc(N)nc(Nc2ccc(cc2)C#N)n1)-c1ccc(C#N)c(F)c1

Cc1cc(ccc1Oc1cc(N)nc(Nc2ccc(cc2)C#N)n1)-c1ccc(C#N)c(c1)C#N

COc1cc(ccc1Oc1cc(N)nc(Nc2ccc(cc2)C#N)n1)-c1ccc(cc1)C#N

COc1cc(Oc2cc(N)nc(Nc3ccc(cc3)C#N)n2)ccc1-c1ccc(cc1)C#N

Cc1cc(Oc2cc(N)nc(Nc3ccc(cc3)C#N)n2)ccc1-c1ccc(cc1)C#N

COc1ccc(cc1OC)C(=C/CCN1CCOC1=O)\c1cc(F)ccc1C(F)(F)F

COC(=O)CCC\C=C(/c1cc(F)cc(c1)C(F)(F)F)c1cc(C)c2onc(OC)c2c1

COC(=O)CCC\C=C(\c1cc(F)cc(c1)C(F)(F)F)c1cc(C)c(OC)c(c1)C(=O)OC

COC(=O)CCC\C=C(/c1cccc(c1)C#N)c1cc(C)c(OC)c(c1)C(=O)OC

COC(=O)CCC\C=C(\c1cc(C)c(OC)c(c1)C(=O)OC)c1cc(Cl)ccc1OC

COc1ccc(cc1OC)C(=C/CCN1CCOC1=O)\c1cc(F)cc(c1)C(F)(F)F

COC(=O)c1cc(cc(C)c1OC)C(=C/CCN1CCOC1=O)\c1ccc(OC)c(OC)c1

COC(=O)CCC\C=C(/c1cccc(c1)C#N)c1cc(Cl)c(OC)c(c1)C(=O)OC

COC(=O)CCC\C=C(/c1cccc(c1)C#N)c1cc(Cl)ccc1OC

COC(=O)CCC\C=C(/c1cc(F)cc(c1)C(F)(F)F)c1cc(Cl)c(OC)c(c1)C(=O)OC

COC(=O)CCC\C=C(/c1cccc(c1)C#N)c1cc(C)c2onc(OC)c2c1

COC(=O)CCC\C=C(/c1cc(F)cc(c1)C(F)(F)F)c1cc(C)c(OC)c(c1)C(=O)OC

COC(=O)c1cc(cc(C)c1OC)C(=C/CCN1CCOC1=O)\c1cc(F)cc(c1)C(F)(F)F

COC(=O)CCC\C=C(/c1cc(F)cc(c1)C(F)(F)F)c1cc(C)c2on(C)c(=O)c2c1

COC(=O)CCC\C=C(\c1cc(C)c2on(C)c(=O)c2c1)c1cc(Cl)ccc1OC

[#6]-[#8]-[#6](=O)-c1cc(cc(Br)c1-[#8]-[#6])-[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#8]-[#6]-1=O)\c1cc(Br)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]

COC(=O)CCC\C=C(/c1cc(C)c(OC)c(c1)C(=O)OC)c1cc(Cl)ccc1OC

COC(=O)CCC\C=C(\c1ccc(OC)c(OC)c1)c1cc(C)c(OC)c(c1)C(=O)OC

COC(=O)CCC\C=C(\c1cc(Cl)c(OC)c(c1)C(=O)OC)c1cc(Cl)ccc1OC

COC(=O)c1cc(cc(C)c1OC)C(=C\CCN1CCOC1=O)\c1ccc(OC)c(OC)c1

Cc1cc(\C=C\C#N)cc(C)c1Nc1ncc2ncn(-c3ccc(cc3)C#N)c2n1

Cc1cc(\C=C\C#N)cc(C)c1-n1cnc2cnc(Nc3ccc(cc3)C#N)nc12 |(-.27,-1.43,;1.22,-1.04,;1.61,.45,;3.1,.85,;3.5,2.33,;2.41,3.42,;2.81,4.91,;3.21,6.4,;4.19,-.24,;3.8,-1.72,;4.89,-2.81,;2.3,-2.13,;1.91,-3.61,;2.81,-4.86,;1.91,-6.1,;.44,-5.63,;-.88,-6.4,;-2.22,-5.64,;-2.22,-4.09,;-3.55,-3.32,;-3.55,-1.78,;-4.89,-1.01,;-4.89,.53,;-3.55,1.3,;-2.22,.53,;-2.21,-1.01,;-3.55,2.84,;-3.55,4.38,;-.89,-3.32,;.44,-4.09,)|

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NC1CC2(C1)CN(C2)S(C)(=O)=O

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NC1CC2(C1)CCN(CC(N)=O)C2 |(-4.76,4.71,;-5.16,3.22,;-6.64,2.82,;-7.04,1.34,;-8.52,.94,;-5.95,.25,;-4.46,.65,;-4.06,2.14,;-3.37,-.44,;-1.83,-.44,;-2.6,.89,;-3.77,-1.93,;-2.87,-3.17,;-3.77,-4.42,;-5.24,-3.94,;-6.56,-4.71,;-7.9,-3.95,;-7.9,-2.4,;-9.23,-1.63,;-6.57,-1.63,;-5.24,-2.4,;-1.33,-3.17,;-.56,-4.51,;-.56,-1.84,;.98,-1.84,;2.09,-.73,;3.18,-1.82,;2.07,-2.93,;4.08,-.58,;5.57,-.97,;5.57,-2.59,;6.66,-3.68,;8.14,-3.28,;9.23,-4.37,;8.54,-1.79,;4.06,-2.99,)|

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NC1CC2(C1)CN(Cc1n[nH]c(=O)n1C)C2

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(N)=O

CC(C)Sc1nc(C(C#N)c2ccccc2)c(C)c(=O)[nH]1

CC(C)Sc1nc(C(C#N)c2ccccc2Cl)c(C)c(=O)[nH]1

CC(C)Sc1nc(C(C#N)c2cccc(Cl)c2)c(C)c(=O)[nH]1

CC(C)Sc1nc(C(C#N)c2ccc(Cl)cc2)c(C)c(=O)[nH]1

CC(C)Sc1nc(C(C#N)c2ccccc2Br)c(C)c(=O)[nH]1

CC(C)Sc1nc(C(C#N)c2cccc(Br)c2)c(C)c(=O)[nH]1

CC(C)Sc1nc(C(C#N)c2ccc(Br)cc2)c(C)c(=O)[nH]1

CC(C)Sc1nc(C(C#N)c2ccccc2F)c(C)c(=O)[nH]1

CC(C)Sc1nc(C(C#N)c2cccc(F)c2)c(C)c(=O)[nH]1

CC(C)Sc1nc(C(C#N)c2ccc(F)cc2)c(C)c(=O)[nH]1

CC(C)Sc1nc(C(C#N)c2ccccc2C(F)(F)F)c(C)c(=O)[nH]1

CC(C)Sc1nc(C(C#N)c2cccc(c2)C(F)(F)F)c(C)c(=O)[nH]1

CC(C)Sc1nc(C(C#N)c2ccc(cc2)C(F)(F)F)c(C)c(=O)[nH]1

COc1ccccc1C(C#N)c1nc(SC(C)C)[nH]c(=O)c1C

COc1cccc(c1)C(C#N)c1nc(SC(C)C)[nH]c(=O)c1C

COc1ccc(cc1)C(C#N)c1nc(SC(C)C)[nH]c(=O)c1C

CC(C)Sc1nc(C(C#N)c2ccccc2C)c(C)c(=O)[nH]1

CC(C)Sc1nc(C(C#N)c2cccc(C)c2)c(C)c(=O)[nH]1

CC(C)Sc1nc(C(C#N)c2ccc(C)cc2)c(C)c(=O)[nH]1

CC(C)Sc1nc(C(C#N)c2ccc(cc2)C(C)C)c(C)c(=O)[nH]1

CC(C)Sc1nc(C(C#N)c2cccc3OCOc23)c(C)c(=O)[nH]1

CC(C)Sc1nc(C(C#N)c2c(F)cccc2F)c(C)c(=O)[nH]1

CC(C)Sc1nc(C(C#N)c2cc(F)cc(F)c2)c(C)c(=O)[nH]1

CC(C)Sc1nc(C(C#N)c2c(Cl)cccc2Cl)c(C)c(=O)[nH]1

CC(C)Sc1nc(C(C#N)c2cc(Cl)cc(Cl)c2)c(C)c(=O)[nH]1

CC(C)Sc1nc(C(C#N)c2c(C)cccc2C)c(C)c(=O)[nH]1

CC(C)Sc1nc(C(C#N)c2cc(C)cc(C)c2)c(C)c(=O)[nH]1

CC(C)Sc1nc(C(C#N)c2c(F)cccc2Cl)c(C)c(=O)[nH]1

CC(C)Sc1nc(C(C#N)c2cc(F)cc(Cl)c2)c(C)c(=O)[nH]1

COc1cc(OC)cc(c1)C(C#N)c1nc(SC(C)C)[nH]c(=O)c1C

CC(C)Sc1nc(C(C#N)c2cc(Cl)cc(c2)C(F)(F)F)c(C)c(=O)[nH]1

CC(C)Sc1nc(C(C#N)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(C)c(=O)[nH]1

COc1cc(F)cc(c1)C(C#N)c1nc(SC(C)C)[nH]c(=O)c1C

CC(C)Sc1nc(C(C#N)c2ccc(F)c(c2)C#N)c(C)c(=O)[nH]1

CC(C)Sc1nc(C(C#N)c2ccccn2)c(C)c(=O)[nH]1

CC(C)Sc1nc(C(C#N)c2cccnc2)c(C)c(=O)[nH]1

CC(C)Sc1nc(C(C#N)c2cccnc2Cl)c(C)c(=O)[nH]1

CC(C)Sc1nc(C(C#N)c2ccc(Cl)nc2)c(C)c(=O)[nH]1

Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(O)=O)c1=O |c:21|

CN(C)C(=O)Cn1c(=O)c(C)cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c1=O |r,c:30|

COC(=O)CCCCn1c(=O)c(C)cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c1=O |r,c:32|

Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCc2cccc3cc[nH]c23)c1=O |r,c:21|

CNC(=O)Cn1c(=O)c(C)cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c1=O |r,c:29|

COC(=O)\C=C\Cn1c(=O)c(C)cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c1=O |r,c:31|

Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(C\C=C\CO)c1=O |r,c:21|

CCOC(=O)CCCCCn1c(=O)c(C)cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c1=O |r,c:34|

CNC(=O)CCCCCn1c(=O)c(C)cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c1=O |r,c:33|

Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(N)=O)c1=O |c:21|

Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCN(CC(O)=O)CC(O)=O)c1=O |c:21|

CNC(=O)CCCCn1c(=O)c(C)cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c1=O |c:32|

Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCc2ccccc2)c1=O |c:21|

Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCN)c1=O |c:21|

Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCO)c1=O |r,c:21|

Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC2CC2)c1=O |r,c:21|

CN(C)CCCn1c(=O)c(C)cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c1=O |r,c:30|

COC(=O)Cn1c(=O)c(C)cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c1=O |r,c:29|

Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(=O)OCc2ccccc2)c1=O |r,c:21|

CCCCOC(=O)CN(CCCn1c(=O)c(C)cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c1=O)CC(=O)OCCCC |r,c:36|

COCCn1c(=O)c(C)cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c1=O |r,c:28|

Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCBr)c1=O |r,c:21|

Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(Cc2ccccc2)c1=O |r,c:21|

Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCC[N+](C)(C)C)c1=O

Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCN2C(=O)c3ccccc3C2=O)c1=O |r,c:21|

Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCNC(=O)OCc2ccccc2)c1=O |r,c:21|

Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCCO)c1=O |r,c:21|

CCC[C@]1(CC(O)=O)OCCc2c1sc1c(C)cc(F)c(C#N)c21

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1cccc(c1)B(O)O

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccc(cc1)B1OC(C)(C)C(C)(C)O1

Cc1cc(C)c(c(C)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1)[N+]([O-])=O |(-7.23,-36.04,;-6.89,-34.53,;-8.03,-33.49,;-7.7,-31.98,;-8.83,-30.95,;-6.23,-31.52,;-5.09,-32.55,;-3.63,-32.08,;-5.42,-34.07,;-5.91,-30.01,;-6.93,-28.86,;-6.16,-27.53,;-4.65,-27.85,;-4.5,-29.38,;-3.17,-30.16,;-1.83,-29.39,;-.5,-30.16,;-.5,-31.7,;.83,-29.39,;2.17,-30.17,;2.16,-31.71,;3.49,-32.48,;4.83,-31.71,;4.82,-30.16,;3.49,-29.4,;6.16,-32.49,;6.16,-34.03,;7.5,-31.72,)|

Cc1cc(C)c(c(C)c1)-n1nnnc1SCC(=O)Nc1c(Cl)cccc1Cl |(15.42,-36.3,;15.76,-34.8,;14.62,-33.76,;14.95,-32.25,;13.81,-31.21,;16.42,-31.78,;17.56,-32.82,;19.02,-32.34,;17.23,-34.33,;16.74,-30.28,;15.71,-29.12,;16.49,-27.79,;17.99,-28.12,;18.15,-29.65,;19.48,-30.42,;20.82,-29.65,;22.15,-30.43,;22.15,-31.97,;23.48,-29.66,;24.82,-30.43,;26.14,-29.66,;26.14,-28.12,;27.47,-30.43,;27.48,-31.98,;26.14,-32.74,;24.81,-31.97,;23.47,-32.74,)|

Cc1ccc(c(Br)c1)-n1nnnc1SCC(=O)Nc1ccccc1[N+]([O-])=O

[O-][N+](=O)c1ccccc1NC(=O)CSc1nnnn1-c1cccc(Cl)c1Cl

Cc1cc(C)c(c(C)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1)S(N)(=O)=O |(13.95,-2.13,;14.28,-.63,;13.14,.41,;13.47,1.92,;12.34,2.96,;14.94,2.39,;16.08,1.35,;17.54,1.82,;15.75,-.16,;15.26,3.89,;14.24,5.05,;15.01,6.38,;16.52,6.05,;16.67,4.52,;18,3.75,;19.34,4.51,;20.67,3.74,;20.67,2.2,;22.01,4.51,;23.34,3.74,;23.33,2.2,;24.66,1.42,;26,2.19,;26,3.74,;24.66,4.5,;27.33,1.42,;28.66,.65,;26.56,.09,;28.11,2.75,)|

Cc1cc(C)c(c(C)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1C)S(N)(=O)=O |(-6.98,-13.11,;-6.65,-11.6,;-7.79,-10.56,;-7.46,-9.06,;-8.59,-8.02,;-5.99,-8.59,;-4.85,-9.62,;-3.39,-9.15,;-5.18,-11.14,;-5.67,-7.08,;-6.69,-5.93,;-5.92,-4.6,;-4.41,-4.92,;-4.26,-6.46,;-2.93,-7.23,;-1.59,-6.46,;-.26,-7.23,;-.26,-8.77,;1.08,-6.47,;2.41,-7.24,;2.4,-8.78,;3.73,-9.55,;5.07,-8.78,;5.07,-7.24,;3.73,-6.47,;3.73,-4.93,;6.4,-9.55,;7.73,-10.32,;5.63,-10.89,;7.18,-8.22,)|

Cc1cc(C)c(c(C)c1)-n1nnnc1SCC(=O)Nc1ccc(Cl)cc1[N+]([O-])=O |(-7.25,-49.05,;-6.92,-47.54,;-8.05,-46.5,;-7.72,-45,;-8.86,-43.96,;-6.26,-44.53,;-5.12,-45.56,;-3.65,-45.09,;-5.45,-47.08,;-5.93,-43.02,;-6.96,-41.87,;-6.18,-40.54,;-4.68,-40.86,;-4.52,-42.4,;-3.19,-43.17,;-1.86,-42.4,;-.52,-43.17,;-.53,-44.71,;.81,-42.41,;2.14,-43.18,;2.14,-44.72,;3.47,-45.49,;4.8,-44.72,;6.14,-45.5,;4.8,-43.18,;3.47,-42.41,;3.47,-40.86,;4.8,-40.09,;2.13,-40.09,)|

NS(=O)(=O)c1ccc(NC(=O)CSc2nnnn2-c2cccc(Cl)c2Cl)c(Cl)c1

Cc1cc(C)c(c(C)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1Cl)[N+]([O-])=O |(14.87,-48.33,;15.2,-46.83,;14.07,-45.79,;14.4,-44.28,;13.26,-43.24,;15.86,-43.81,;17,-44.85,;18.47,-44.38,;16.67,-46.36,;16.19,-42.31,;15.16,-41.15,;15.94,-39.82,;17.44,-40.15,;17.6,-41.68,;18.93,-42.45,;20.26,-41.69,;21.6,-42.46,;21.59,-44,;22.93,-41.69,;24.26,-42.46,;24.26,-44,;25.59,-44.78,;26.92,-44.01,;26.92,-42.46,;25.59,-41.7,;25.59,-40.16,;28.26,-44.78,;28.26,-46.32,;29.59,-44.01,)|

Cc1cc(C)c(c(C)c1)-n1nnnc1SCC(=O)Nc1ccccc1[N+]([O-])=O |(-7.83,-15.14,;-7.5,-13.63,;-8.64,-12.59,;-8.3,-11.09,;-9.44,-10.05,;-6.84,-10.62,;-5.7,-11.65,;-4.23,-11.18,;-6.03,-13.17,;-6.51,-9.11,;-7.54,-7.96,;-6.77,-6.63,;-5.26,-6.95,;-5.11,-8.49,;-3.77,-9.26,;-2.44,-8.49,;-1.11,-9.26,;-1.11,-10.8,;.23,-8.5,;1.56,-9.27,;1.55,-10.81,;2.88,-11.58,;4.22,-10.81,;4.22,-9.27,;2.89,-8.5,;2.88,-6.95,;4.21,-6.18,;1.55,-6.18,)|

CN(C)CCCNC(=O)c1ccc(NC(=O)CSc2nnnn2-c2c(C)cc(C)cc2C)c(Cl)c1 |(11.95,-30.47,;10.62,-29.7,;10.62,-28.16,;9.29,-30.47,;7.95,-29.7,;6.62,-30.47,;5.29,-29.7,;3.95,-30.47,;3.95,-32.01,;2.62,-29.7,;1.28,-30.47,;-.05,-29.69,;-.04,-28.15,;-1.37,-27.38,;-2.71,-28.15,;-2.71,-29.69,;-4.04,-27.38,;-5.38,-28.14,;-6.71,-27.37,;-6.86,-25.84,;-8.37,-25.51,;-9.14,-26.84,;-8.12,-28,;-8.44,-29.5,;-9.91,-29.97,;-11.04,-28.93,;-10.24,-31.48,;-9.1,-32.52,;-9.43,-34.02,;-7.63,-32.05,;-7.3,-30.54,;-5.84,-30.07,;1.28,-27.38,;1.28,-25.84,;2.62,-28.15,)|

Cc1cc(C)c(c(C)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1C)C(N)=O |(-6.75,-23.61,;-6.42,-22.1,;-7.56,-21.06,;-7.22,-19.56,;-8.36,-18.52,;-5.76,-19.09,;-4.62,-20.12,;-3.15,-19.65,;-4.95,-21.64,;-5.43,-17.58,;-6.46,-16.43,;-5.68,-15.1,;-4.18,-15.42,;-4.03,-16.96,;-2.69,-17.73,;-1.36,-16.96,;-.03,-17.73,;-.03,-19.27,;1.31,-16.97,;2.64,-17.74,;2.63,-19.28,;3.96,-20.05,;5.3,-19.28,;5.3,-17.74,;3.97,-16.97,;3.97,-15.43,;6.64,-20.05,;7.97,-19.28,;6.63,-21.59,)|

Cc1cccc(c1C)-n1nnnc1SCC(=O)Nc1ccccc1[N+]([O-])=O

Cc1c(Cl)cccc1-n1nnnc1SCC(=O)Nc1ccccc1[N+]([O-])=O

[O-][N+](=O)c1ccccc1NC(=O)CSc1nnnn1-c1cc(F)ccc1Cl

[O-][N+](=O)c1ccccc1NC(=O)CSc1nnnn1-c1ccc(Cl)c(Cl)c1

[O-][N+](=O)c1ccccc1NC(=O)CSc1nnnn1-c1c(Cl)cccc1Cl |(6.73,-27,;5.4,-27.77,;4.07,-27,;5.41,-29.32,;6.74,-30.09,;6.74,-31.63,;5.4,-32.4,;4.07,-31.63,;4.08,-30.09,;2.75,-29.32,;1.41,-30.08,;1.41,-31.62,;.08,-29.31,;-1.25,-30.08,;-2.59,-29.31,;-2.74,-27.77,;-4.25,-27.45,;-5.02,-28.78,;-3.99,-29.93,;-4.32,-31.44,;-3.18,-32.47,;-1.71,-31.99,;-3.49,-33.97,;-4.97,-34.45,;-6.11,-33.41,;-5.78,-31.91,;-6.92,-30.87,)|

Cc1cc(C)c(c(C)c1)-n1nnnc1SCC(=O)Nc1ccccc1I |(-7.14,-25.92,;-6.81,-24.42,;-7.95,-23.38,;-7.61,-21.87,;-8.75,-20.83,;-6.15,-21.41,;-5.01,-22.44,;-3.54,-21.97,;-5.34,-23.95,;-5.82,-19.9,;-6.85,-18.75,;-6.07,-17.41,;-4.57,-17.74,;-4.41,-19.27,;-3.08,-20.05,;-1.75,-19.28,;-.41,-20.05,;-.42,-21.59,;.92,-19.28,;2.25,-20.06,;2.25,-21.6,;3.58,-22.37,;4.91,-21.6,;4.91,-20.05,;3.58,-19.29,;3.58,-17.75,)|

Cc1cc(C)c(c(C)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1Cl)S(N)(=O)=O |(15.06,-12.69,;15.39,-11.18,;14.25,-10.14,;14.59,-8.64,;13.45,-7.6,;16.05,-8.17,;17.19,-9.2,;18.66,-8.73,;16.86,-10.72,;16.38,-6.66,;15.35,-5.51,;16.12,-4.18,;17.63,-4.5,;17.78,-6.04,;19.12,-6.81,;20.45,-6.04,;21.78,-6.81,;21.78,-8.35,;23.12,-6.05,;24.45,-6.82,;24.44,-8.36,;25.77,-9.13,;27.11,-8.36,;27.11,-6.82,;25.78,-6.05,;25.77,-4.51,;28.44,-9.13,;29.77,-9.9,;27.67,-10.47,;29.22,-7.8,)|

Cc1cc(C)c(c(C)c1)-n1nnnc1SCC(=O)Nc1ccccc1Br |(15.19,-14.32,;15.52,-12.82,;14.38,-11.78,;14.72,-10.27,;13.58,-9.23,;16.18,-9.8,;17.32,-10.84,;18.79,-10.36,;16.99,-12.35,;16.51,-8.3,;15.48,-7.14,;16.26,-5.81,;17.76,-6.14,;17.92,-7.67,;19.25,-8.44,;20.58,-7.67,;21.92,-8.45,;21.91,-9.99,;23.25,-7.68,;24.58,-8.45,;24.58,-9.99,;25.91,-10.76,;27.24,-10,;27.24,-8.45,;25.91,-7.68,;25.91,-6.14,)|

Cc1cc(C)c(c(C)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1Cl)C(N)=O |(14.82,-23.12,;15.16,-21.62,;14.02,-20.58,;14.35,-19.07,;13.22,-18.03,;15.82,-18.61,;16.96,-19.64,;18.42,-19.17,;16.63,-21.15,;16.14,-17.1,;15.12,-15.95,;15.89,-14.61,;17.4,-14.94,;17.55,-16.47,;18.88,-17.25,;20.22,-16.48,;21.55,-17.25,;21.55,-18.79,;22.88,-16.48,;24.22,-17.26,;24.21,-18.8,;25.54,-19.57,;26.88,-18.8,;26.87,-17.25,;25.54,-16.49,;25.54,-14.95,;28.21,-19.57,;29.54,-18.8,;28.21,-21.11,)|

Cc1cc(C)c(c(C)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1C)[N+]([O-])=O |(-7.4,-3.06,;-7.06,-1.55,;-8.2,-.51,;-7.87,.99,;-9.01,2.03,;-6.4,1.46,;-5.26,.43,;-3.8,.9,;-5.59,-1.09,;-6.08,2.97,;-7.11,4.12,;-6.33,5.45,;-4.83,5.13,;-4.67,3.59,;-3.34,2.82,;-2,3.59,;-.67,2.82,;-.67,1.28,;.66,3.58,;2,2.81,;1.99,1.27,;3.32,.5,;4.66,1.27,;4.65,2.81,;3.32,3.58,;3.32,5.12,;5.99,.49,;5.99,-1.05,;7.33,1.26,)|

CN(C)CCCOc1ccc(NC(=O)CSc2nnnn2-c2c(C)cc(C)cc2C)c(Cl)c1 |(29.31,-36.4,;29.31,-34.86,;30.65,-34.09,;27.98,-34.09,;27.98,-32.55,;29.31,-31.78,;29.32,-30.24,;27.98,-29.47,;26.64,-30.24,;25.31,-29.47,;25.32,-27.93,;23.99,-27.15,;22.65,-27.92,;22.65,-29.46,;21.32,-27.15,;19.99,-27.92,;18.65,-27.14,;18.5,-25.61,;17,-25.29,;16.22,-26.62,;17.25,-27.77,;16.92,-29.28,;15.46,-29.74,;14.32,-28.71,;15.12,-31.25,;16.26,-32.29,;15.93,-33.8,;17.73,-31.83,;18.06,-30.31,;19.53,-29.84,;26.65,-27.16,;26.65,-25.62,;27.98,-27.92,)|

[O-][N+](=O)c1ccccc1NC(=O)CSc1nnnn1-c1cc(Cl)ccc1Cl

Cc1cc(C)c(c(C)c1)-n1nnnc1SCC(=O)Nc1ccccc1Cl |(7.91,-30.7,;8.21,-29.19,;7.04,-28.18,;7.34,-26.66,;6.17,-25.65,;8.79,-26.15,;9.95,-27.16,;11.41,-26.65,;9.67,-28.68,;9.07,-24.63,;8.02,-23.51,;8.76,-22.16,;10.27,-22.45,;10.46,-23.98,;11.81,-24.72,;13.13,-23.92,;14.48,-24.66,;14.52,-26.2,;15.8,-23.86,;17.15,-24.6,;17.18,-26.14,;18.52,-26.88,;19.84,-26.08,;19.8,-24.53,;18.45,-23.8,;18.41,-22.26,)|

[O-][N+](=O)c1ccccc1NC(=O)CSc1nnnn1-c1cccc2ccccc12

NS(=O)(=O)c1ccc(NC(=O)CSc2nnnn2-c2cc(Cl)ccc2Cl)c(Cl)c1

Cc1ccc(Cl)cc1-n1nnnc1SCC(=O)Nc1ccccc1[N+]([O-])=O

Cc1cc(C)c(c(C)c1)-n1nnnc1SCC(=O)Nc1cccc(c1)[N+]([O-])=O |(14.54,-25.45,;14.88,-23.95,;13.74,-22.91,;14.07,-21.4,;12.94,-20.36,;15.54,-20.93,;16.68,-21.97,;18.14,-21.49,;16.35,-23.48,;15.86,-19.43,;14.84,-18.27,;15.61,-16.94,;17.12,-17.27,;17.27,-18.8,;18.6,-19.57,;19.94,-18.8,;21.27,-19.58,;21.27,-21.12,;22.6,-18.81,;23.94,-19.58,;23.93,-21.12,;25.26,-21.89,;26.6,-21.13,;26.59,-19.58,;25.26,-18.81,;27.94,-18.8,;29.27,-19.57,;27.93,-17.26,)|

OC(=O)c1nc(Cc2ccccc2)nc(O)c1O

Cc1cc(c(cc1Cl)N)S(=O)(=O)[N@@]2CCC[C@H]2C(=O)O

OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCc2cc(ccc2-c2ccc(Cl)cc2)N2CCCC2=O)cc1F

CCCn1c(=O)c(C)cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c1=O |c:27|

CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@]11OS(=O)(=O)C=C1N)n1nncc1C(N)=O |c:27|

C[C@H](NC(=O)Cn1c(=O)c(C)cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c1=O)C(O)=O |c:30|

Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(=O)N[C@@H](CC(O)=O)C(O)=O)c1=O |c:21|

Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(\C=C/CO)c1=O |c:21|

Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C(=CCCO)C3=N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O |w:22.22|

CCc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O |c:22|

Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N=C(N)N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O |wU:4.3,6.6,wD:16.16,27.29,c:21,(26.69,-32.35,;25.2,-31.95,;24.12,-33.04,;22.64,-32.64,;21.56,-33.73,;20.02,-33.5,;19.34,-34.88,;17.8,-34.88,;17.04,-33.54,;15.49,-33.54,;15.49,-35.08,;15.49,-32.01,;13.96,-33.54,;12.42,-33.54,;13.96,-35.08,;13.96,-32.01,;20.45,-35.94,;21.56,-37.01,;20.89,-38.38,;20.52,-39.88,;22.35,-38.9,;19.37,-38.17,;19.09,-36.64,;17.61,-36.21,;16.5,-37.28,;15.01,-36.85,;16.86,-38.78,;21.82,-35.23,;23.61,-36.11,;24.9,-35.27,;25.75,-36.55,;24.05,-33.98,;26.18,-34.41,;27.03,-35.69,;25.32,-33.13,;27.46,-33.56,;22.23,-31.16,;20.73,-30.77,;23.32,-30.07,;24.8,-30.47,;25.9,-29.37,)|

CN(C)C(=O)c1cnnn1[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]2(OS(=O)(=O)C=C2N)[C@H]1O[Si](C)(C)C(C)(C)C |c:28|

Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C(I)=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O |c:22|

Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(\C=C\CO)c1=O |c:21|

COC(=O)C(=O)NC1=CS(=O)(=O)O[C@@]11[C@@H](COCc2ccccc2)O[C@H]([C@@H]1O[Si](C)(C)C(C)(C)C)n1cc(C)c(=O)n(C)c1=O |t:7|

Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC2CO2)c1=O |c:21|

COC(=O)CCC\C=C(\c1ccc(cc1)C#N)c1cc(C)c2onc(OC)c2c1

COC(=O)CCC\C=C(\c1cccc(c1)C#N)c1cc(C)c2on(C)c(=O)c2c1

COC(=O)CCC\C=C(\c1cc(C)c(OC)c(c1)C(=O)OC)c1cc(C)c2oc(=O)n(C)c2c1

COC(=O)CCC\C=C(/c1cc(C)c(OC)c(c1)C(=O)OC)c1cc(C)c2on(C)c(=O)c2c1

COc1noc2c(C)cc(cc12)C(=C/CCN1CCOC1=O)\c1cc(C)c2on(C)c(=O)c2c1

COC(=O)CCC\C=C(\c1cccc(c1)C#N)c1cc(C)c2oc(=O)n(C)c2c1

COC(=O)CCC\C=C(\c1ccc(cc1)C#N)c1cc(C)c2oc(=O)n(C)c2c1

COC(=O)c1cc(cc(C)c1OC)C(=C/CCN1CCOC1=O)\c1cc(C)c2on(C)c(=O)c2c1

COC(=O)CCC\C=C(/c1cc(C)c2oc(=O)n(C)c2c1)c1cc(C)c2on(C)c(=O)c2c1

COC(=O)CCC\C=C(/c1cccc(c1)C#N)c1cc(C)c2oc(=O)n(C)c2c1

CC(C)[C@H](N)C(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)NCCCn1c(=O)c(C)cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c1=O |c:45|

CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)NCCCn1c(=O)c(C)cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c1=O |c:40|

CC(C)[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCCCn1c(=O)c(C)cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c1=O |c:44|

Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(O)=O)c1=O |c:21|

CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCCCn1c(=O)c(C)cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c1=O |c:43|

CC(C)[C@H](N)C(=O)N1CCC[C@@H]1C(=O)NCCCn1c(=O)c(C)cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c1=O |c:43|

CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCn1c(=O)c(C)cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c1=O |c:47|

Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)c1=O |c:21|

CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCCCn1c(=O)c(C)cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c1=O |c:50|

CC(C)[C@H](N)C(=O)NCCCn1c(=O)c(C)cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c1=O |c:35|

CC(C)[C@H](N)C(=O)NCC(=O)NCCCn1c(=O)c(C)cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c1=O |c:39|

CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)NCCCn1c(=O)c(C)cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c1=O |c:43|

Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(N)=O)c1=O |c:21|

Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCNC(=O)[C@@H]2CCCN2C(=O)CN)c1=O |c:21|

Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCCN)c1=O |c:21|

CC(C)[C@H](N)C(=O)N1C[C@@H](C[C@H]1C(=O)NCCCn1c(=O)c(C)cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c1=O)OCc1ccccc1 |c:43|

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)c(F)c2)nc2COCc12

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(nc2)C#N)nc2COCc12

Fc1cc(\C=C\C#N)cc(F)c1Oc1nc(Nc2ccc(nc2)C#N)nc2ccsc12

Fc1cc(\C=C\C#N)cc(F)c1Oc1nc(Nc2ccc(C#N)c(F)c2)nc2COCc12

[H][C@@]12CCCCN1C(=O)[C@@]([H])(COC(=O)[C@]([H])(C(C)C)N(C)C(=O)CN(C)C(=O)CNC(=O)[C@]1([H])CCCCN1C(=O)[C@@]([H])(COC(=O)[C@]([H])(C(C)C)N(C)C(=O)CN(C)C(=O)CNC2=O)NC(=O)c1nc2ccccc2cc1O)NC(=O)c1nc2ccccc2cc1O

Fc1cc(cc(F)c1Cc1cnc(Nc2ccc(C#N)c(Cl)c2)o1)-c1ccc(OS(F)(=O)=O)cc1

Fc1cc(cc(F)c1Cc1cnc(Nc2ccc(C#N)c(Cl)c2)o1)-c1ccc(cc1)C1CO1

N#Cc1ccc(Nc2ncc(Cc3ccc(cc3)-c3ccccc3)o2)cc1

COc1ccc(cc1)-c1ccc(Cc2cnc(Nc3ccc(cc3)C#N)o2)cc1

Fc1cc(cc(F)c1Cc1cnc(Nc2ccc(cc2)C#N)o1)-c1ccccc1

Fc1cc(cc(F)c1Cc1cnc(Nc2ccc(cc2)C#N)o1)-c1ccc(cc1)C#N

Fc1cc(cc(F)c1Cc1cnc(Nc2ccc(C#N)c(Cl)c2)o1)-c1ccc(cc1)C#N

Fc1cc(cc(F)c1Cc1cnc(Nc2ccc(C#N)c(Cl)c2)o1)-c1ccc(C=C)cc1

Oc1ccc(cc1)-c1cc(F)c(Cc2cnc(Nc3ccc(cc3)C#N)o2)c(F)c1

Oc1ccc(cc1)-c1cc(F)c(Cc2cnc(Nc3ccc(C#N)c(Cl)c3)o2)c(F)c1

Fc1cc(cc(F)c1Cc1cnc(Nc2ccc(cc2)C#N)o1)-c1ccc(OS(F)(=O)=O)cc1

C[C@H]1Oc2c3C=CC(C)(C)Oc3c3c(C)cc(=O)oc3c2[C@@H](O)[C@@H]1C |c:5|

CCCc1cc(=O)oc2c3[C@@H](O)[C@@H](C)[C@@H](C)Oc3c3C=CC(C)(C)Oc3c12 |r,c:20|

CCCc1cc(=O)oc2c3[C@H](O)[C@H](C)[C@@H](C)Oc3c3C=CC(C)(C)Oc3c12 |c:20|

C[C@H]1Oc2c3C=CC(C)(C)Oc3c3c(cc(=O)oc3c2[C@@H](O)[C@H]1C)-c1ccccc1 |c:5|

C[C@H]1Oc2c3C=CC(C)(C)Oc3c3c(cc(=O)oc3c2[C@@H](O)[C@@H]1C)-c1ccccc1 |c:5|

C[C@H]1Oc2c3C=CC(C)(C)Oc3c3c(cc(=O)oc3c2[C@H](O)[C@@H]1C)-c1ccccc1 |c:5|

C[C@H]1Oc2c3C=CC(C)(C)Oc3c3c(C)cc(=O)oc3c2[C@H](O)[C@@H]1C |r,c:5|

Cc1ccc(C)c(\C=C2/SC(=O)N(CCC(=O)Nc3ccccc3O)C2=O)c1

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)ncc1-c1ccccc1F

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)C(N)=O)CC2)ncc1-c1ccccc1F

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(C)(=O)=O)CC2)ncc1-c1ccccc1F

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)ncc1-c1cccc(F)c1

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)C(N)=O)CC2)ncc1-c1cccc(F)c1

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(C)(=O)=O)CC2)ncc1-c1cccc(F)c1

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)ncc1-c1ccc(F)cc1

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)C(N)=O)CC2)ncc1-c1ccc(F)cc1

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(C)(=O)=O)CC2)ncc1-c1ccc(F)cc1

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)ncc1-c1ccccc1O

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)C(N)=O)CC2)ncc1-c1ccccc1O

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(C)(=O)=O)CC2)ncc1-c1ccccc1O

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)ncc1-c1cccc(O)c1

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)C(N)=O)CC2)ncc1-c1cccc(O)c1

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(C)(=O)=O)CC2)ncc1-c1cccc(O)c1

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)ncc1-c1ccc(O)cc1

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)C(N)=O)CC2)ncc1-c1ccc(O)cc1

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(C)(=O)=O)CC2)ncc1-c1ccc(O)cc1

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)ncc1-c1ccccc1N

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)C(N)=O)CC2)ncc1-c1ccccc1N

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(C)(=O)=O)CC2)ncc1-c1ccccc1N

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)ncc1-c1cccc(N)c1

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)C(N)=O)CC2)ncc1-c1cccc(N)c1

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(C)(=O)=O)CC2)ncc1-c1cccc(N)c1

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)ncc1-c1ccc(N)cc1

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)C(N)=O)CC2)ncc1-c1ccc(N)cc1

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(C)(=O)=O)CC2)ncc1-c1ccc(N)cc1

CC(=O)c1ccc(cc1)-c1cnc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)nc1Oc1c(C)cc(\C=C\C#N)cc1C

CC(=O)c1ccc(cc1)-c1cnc(NC2CCN(Cc3ccc(cc3)C(N)=O)CC2)nc1Oc1c(C)cc(\C=C\C#N)cc1C

CC(=O)c1ccc(cc1)-c1cnc(NC2CCN(Cc3ccc(cc3)S(C)(=O)=O)CC2)nc1Oc1c(C)cc(\C=C\C#N)cc1C

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)ncc1-c1ccc2OCOc2c1

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)C(N)=O)CC2)ncc1-c1ccc2OCOc2c1

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(C)(=O)=O)CC2)ncc1-c1ccc2OCOc2c1

Cc1cc(\C=C\C#N)cc(C)c1Cc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)ncc1-c1cncnc1

Cc1cc(\C=C\C#N)cc(C)c1Cc1nc(NC2CCN(Cc3ccc(cc3)C(N)=O)CC2)ncc1-c1cncnc1

Cc1cc(\C=C\C#N)cc(C)c1Cc1nc(NC2CCN(Cc3ccc(cc3)S(C)(=O)=O)CC2)ncc1-c1cncnc1

Cc1cc(\C=C\C#N)cc(C)c1Cc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)ncc1-c1cnc(N)nc1

Cc1cc(\C=C\C#N)cc(C)c1Cc1nc(NC2CCN(Cc3ccc(cc3)C(N)=O)CC2)ncc1-c1cnc(N)nc1

Cc1cc(\C=C\C#N)cc(C)c1Cc1nc(NC2CCN(Cc3ccc(cc3)S(C)(=O)=O)CC2)ncc1-c1cnc(N)nc1

Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(CC2)C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)n1)C#N

Cc1cc(Oc2ccnc(NC3CCN(CC3)C(=O)c3cc4cc(NS(C)(=O)=O)ccc4[nH]3)n2)cc(C)c1Cl

Cc1cccc(C)c1Oc1ccnc(NC2CCN(CC2)C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)n1

Cc1cc(C)c(Oc2ccnc(NC3CCN(CC3)C(=O)c3cc4cc(NS(C)(=O)=O)ccc4[nH]3)n2)c(C)c1

CS(=O)(=O)Nc1ccc2[nH]c(cc2c1)C(=O)N1CCC(CC1)Nc1nccc(Oc2ccc(Br)cc2F)n1

Cc1ccccc1Oc1ccnc(NC2CCN(CC2)C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)n1

Cc1cccc(Oc2ccnc(NC3CCN(CC3)C(=O)c3cc4cc(NS(C)(=O)=O)ccc4[nH]3)n2)c1

CS(=O)(=O)Nc1ccc2[nH]c(cc2c1)C(=O)N1CCC(CC1)Nc1nccc(Oc2cccc(c2)C#N)n1

CS(=O)(=O)Nc1ccc2[nH]c(cc2c1)C(=O)N1CCC(CC1)Nc1nccc(Oc2ccc(cc2)C#N)n1

CS(=O)(=O)Nc1ccc2[nH]c(cc2c1)C(=O)N1CCC(CC1)Nc1nccc(Oc2ccccc2Cl)n1

CS(=O)(=O)Nc1ccc2[nH]c(cc2c1)C(=O)N1CCC(CC1)Nc1nccc(Oc2cccc(Cl)c2)n1

CS(=O)(=O)Nc1ccc2[nH]c(cc2c1)C(=O)N1CCC(CC1)Nc1nccc(Oc2ccc(Cl)cc2)n1

CS(=O)(=O)Nc1ccc2[nH]c(cc2c1)C(=O)N1CCC(CC1)Nc1nccc(Oc2ccccc2Br)n1

CS(=O)(=O)Nc1ccc2[nH]c(cc2c1)C(=O)N1CCC(CC1)Nc1nccc(Oc2cccc(Br)c2)n1

CS(=O)(=O)Nc1ccc2[nH]c(cc2c1)C(=O)N1CCC(CC1)Nc1nccc(Oc2ccc(Br)cc2)n1

CS(=O)(=O)Nc1ccc2[nH]c(cc2c1)C(=O)N1CCC(CC1)Nc1nccc(Oc2cccc(F)c2)n1

CS(=O)(=O)Nc1ccc2[nH]c(cc2c1)C(=O)N1CCC(CC1)Nc1nccc(Oc2cccc(c2)C(F)(F)F)n1

CS(=O)(=O)Nc1ccc2[nH]c(cc2c1)C(=O)N1CCC(CC1)Nc1nccc(Oc2ccc(cc2)C(F)(F)F)n1

Oc1ccc(cc1O)C1C2=C(Nc3[nH]c(=O)[nH]c(=O)c13)c1ccccc1C2=O |c:10|

COc1cc(cc(OC)c1O)C1C2=C(Nc3[nH]c(=O)[nH]c(=O)c13)c1ccccc1C2=O |c:13|

COc1cc(ccc1O)C1C2=C(Nc3[nH]c(=O)[nH]c(=O)c13)c1ccccc1C2=O |c:11|

COc1ccc(cc1O)C1C2=C(Nc3[nH]c(=O)[nH]c(=O)c13)c1ccccc1C2=O |c:11|

COc1ccc(cc1OC)C1C2=C(Nc3[nH]c(=O)[nH]c(=O)c13)c1ccccc1C2=O |c:12|

Oc1cccc(c1)C1C2=C(Nc3[nH]c(=O)[nH]c(=O)c13)c1ccccc1C2=O |c:9|

Oc1ccc(cc1)C1C2=C(Nc3[nH]c(=O)[nH]c(=O)c13)c1ccccc1C2=O |c:9|

COc1cc(cc(OC)c1OC)C1C2=C(Nc3[nH]c(=O)[nH]c(=O)c13)c1ccccc1C2=O |c:14|

CCOC(=O)C(=O)CC(=O)\C=C\c1cccn1Cc1ccccc1Cl

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)-c2cn(Cc3ccc(Cl)cc3)nn2)nc2ccsc12)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)-c2cn(Cc3ccc(cc3)S(N)(=O)=O)nn2)nc2ccsc12)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)-c2cn(Cc3ccc(cc3)C(N)=O)nn2)nc2ccsc12)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)-c2cn(CCN3C(=O)c4ccccc4C3=O)nn2)nc2ccsc12)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)-c2cn(CC(=O)Nc3ccc(cc3)C(F)(F)F)nn2)nc2ccsc12)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)-c2cn(nn2)-c2ccc3OCOc3c2)nc2ccsc12)C#N

COC(=O)c1cccc(c1)-n1cc(nn1)-c1ccc(Nc2nc(Oc3c(C)cc(cc3C)C#N)c3sccc3n2)cc1

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)-c2cn(nn2)-c2ccc(cc2)C(N)=O)nc2ccsc12)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)-c2cn(Cc3ccc(cc3)B(O)O)nn2)nc2ccsc12)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)-c2cn(Cc3ccc(cc3)S(C)(=O)=O)nn2)nc2ccsc12)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)-c2cn(Cc3ccc(cc3)C(F)(F)F)nn2)nc2ccsc12)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)-c2cn(Cc3ccc(cc3F)C(F)(F)F)nn2)nc2ccsc12)C#N

CCOC(=O)c1ccc(Cn2cc(nn2)-c2ccc(Nc3nc(Oc4c(C)cc(cc4C)C#N)c4sccc4n3)cc2)cc1

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)-c2cn(nn2)S(=O)(=O)n2ccnc2)nc2ccsc12)C#N

CC1=C[C@@H]([C@H]([C@@H](C1)c1ccc(O)cc1O)C(=O)c1ccc(O)cc1O)c1c(O)ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)c1O |t:1|

CC(=C)[C@@H]1CCc2c(C1)c(C)cc(O)c(=O)c2O

COC(=O)c1c(C)cc(O)c(=O)c(O)c1Br

Cn1cc(s\c1=N\N=C1/C(=O)Nc2ccc(Cl)cc12)-c1ccc(cc1)-c1ccccc1

c1cc(c(c2c1C(=CC(=O)O2)CC(=O)O)O)O

Oc1ccc(\C=N\NC(=O)c2cc(O)c(O)c(O)c2)c(O)c1

O=C1Nc2ccccc2\C1=N\N=c1/[nH]cc(s1)-c1ccc(cc1)C#N

Nc1nn(C(=O)c2ccccc2)c(N)c1C(=S)Nc1ccc(Cl)cc1

COc1cc(OC)cc(OC(=O)c2ccc(nc2Nc2cc(Cl)ccc2C)C(F)(F)F)c1

ON1C(=O)Cc2ccc(cc2C1=O)-c1ccco1

Fc1ccccc1Sc1c(C2CC2)c(=O)[nH]c(=O)n1COCc1ccccc1

Fc1cccc(Sc2c(C3CC3)c(=O)[nH]c(=O)n2COCc2ccccc2)c1

Fc1cccc(Sc2c(C3CC3)c(=O)[nH]c(=O)n2COCc2ccccc2)c1F

Fc1ccc(Sc2c(C3CC3)c(=O)[nH]c(=O)n2COCc2ccccc2)c(F)c1

Fc1ccc(F)c(Sc2c(C3CC3)c(=O)[nH]c(=O)n2COCc2ccccc2)c1

Fc1cccc(F)c1Sc1c(C2CC2)c(=O)[nH]c(=O)n1COCc1ccccc1

Fc1cc(F)cc(Sc2c(C3CC3)c(=O)[nH]c(=O)n2COCc2ccccc2)c1

Clc1ccccc1Sc1c(C2CC2)c(=O)[nH]c(=O)n1COCc1ccccc1

Clc1cccc(Sc2c(C3CC3)c(=O)[nH]c(=O)n2COCc2ccccc2)c1

Clc1ccc(Sc2c(C3CC3)c(=O)[nH]c(=O)n2COCc2ccccc2)cc1

Clc1cccc(Sc2c(C3CC3)c(=O)[nH]c(=O)n2COCc2ccccc2)c1Cl

Clc1ccc(Sc2c(C3CC3)c(=O)[nH]c(=O)n2COCc2ccccc2)c(Cl)c1

Clc1ccc(Cl)c(Sc2c(C3CC3)c(=O)[nH]c(=O)n2COCc2ccccc2)c1

Clc1cccc(Cl)c1Sc1c(C2CC2)c(=O)[nH]c(=O)n1COCc1ccccc1

Clc1cc(Cl)cc(Sc2c(C3CC3)c(=O)[nH]c(=O)n2COCc2ccccc2)c1

Brc1ccccc1Sc1c(C2CC2)c(=O)[nH]c(=O)n1COCc1ccccc1

Brc1cccc(Sc2c(C3CC3)c(=O)[nH]c(=O)n2COCc2ccccc2)c1

Brc1ccc(Sc2c(C3CC3)c(=O)[nH]c(=O)n2COCc2ccccc2)cc1

Cc1ccccc1Sc1c(C2CC2)c(=O)[nH]c(=O)n1COCc1ccccc1

Cc1ccc(Sc2c(C3CC3)c(=O)[nH]c(=O)n2COCc2ccccc2)cc1

Cc1ccc(Sc2c(C3CC3)c(=O)[nH]c(=O)n2COCc2ccccc2)c(C)c1

Cc1ccc(C)c(Sc2c(C3CC3)c(=O)[nH]c(=O)n2COCc2ccccc2)c1

Cc1cccc(C)c1Sc1c(C2CC2)c(=O)[nH]c(=O)n1COCc1ccccc1

Cc1cc(C)cc(Sc2c(C3CC3)c(=O)[nH]c(=O)n2COCc2ccccc2)c1

COc1ccccc1Sc1c(C2CC2)c(=O)[nH]c(=O)n1COCc1ccccc1

COc1cccc(Sc2c(C3CC3)c(=O)[nH]c(=O)n2COCc2ccccc2)c1

O=c1[nH]c(=O)n(COCc2ccccc2)c(Sc2ccccn2)c1C1CC1

O=c1[nH]c(=O)n(COCc2ccccc2)c(Sc2ccncc2)c1C1CC1

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)ncc1C(N)=O)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(C#N)c(F)c2)ncc1C(N)=O)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)C(N)=O)CC2)ncc1C(N)=O)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(C)(=O)=O)CC2)ncc1C(N)=O)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)ncc1C(N)=O)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)B(O)O)CC2)ncc1C(N)=O)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(CC2)c2ccc(N)cc2)ncc1C(N)=O)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(CC2)c2ccc(NS(C)(=O)=O)cc2)ncc1C(N)=O)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(CC2)c2ccc(NS(N)(=O)=O)cc2)ncc1C(N)=O)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(CC2)c2ccc(NS(=O)(=O)C3CC3)cc2)ncc1C(N)=O)C#N

CN(C)S(=O)(=O)Nc1ccc(cc1)N1CCC(CC1)Nc1ncc(C(N)=O)c(Oc2c(C)cc(cc2C)C#N)n1

CCOC(=O)C#Cc1cnc(Nc2ccc(cc2)C#N)nc1Oc1c(C)cc(cc1C)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)ncc1C#CC(=O)NC1CC1)C#N

COCCNC(=O)C#Cc1cnc(Nc2ccc(cc2)C#N)nc1Oc1c(C)cc(cc1C)C#N

COC(=O)C1CCC(CC1)NC(=O)C#Cc1cnc(Nc2ccc(cc2)C#N)nc1Oc1c(C)cc(cc1C)C#N |(-9.34,-6.55,;-8,-5.78,;-6.67,-6.55,;-6.67,-8.09,;-5.34,-5.78,;-4,-6.55,;-2.67,-5.78,;-2.67,-4.24,;-4,-3.47,;-5.34,-4.24,;-1.33,-3.47,;-0,-4.24,;-0,-5.78,;1.33,-3.47,;2.67,-2.7,;4,-1.93,;5.34,-2.69,;6.66,-1.92,;6.66,-.38,;8,.39,;8,1.93,;6.66,2.7,;6.66,4.24,;8,5.01,;9.33,4.24,;9.34,2.7,;8,6.55,;8,8.09,;5.33,.39,;4,-.38,;2.67,.39,;2.67,1.93,;1.33,2.69,;-0,1.92,;1.33,4.24,;2.66,5.01,;3.99,4.24,;3.99,2.7,;5.33,1.93,;2.66,6.55,;2.66,8.09,)|

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc2CCNCc12)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc2CCN(Cc3ccccc3)Cc12)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc2CCN(Cc3ccc(cc3)S(N)(=O)=O)Cc12)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc2CCN(Cc3ccc(cc3)C(N)=O)Cc12)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc2CCN(Cc3ccc(cc3)S(C)(=O)=O)Cc12)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc2CCN(Cc3ccc(cc3)B(O)O)Cc12)C#N

Cc1ccc(cc1)C(=O)N1CCc2nc(Nc3ccc(cc3)C#N)nc(Oc3c(C)cc(cc3C)C#N)c2C1

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc2CCN(Cc12)C(=O)c1ccc(F)cc1)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc2CCN(Cc12)C(=O)c1cccc(F)c1)C#N