Compound Name

SMILES String

CCCCCCc1nc2n(C)c(=O)n(C)c(=O)c2[nH]1

CCCCN(CCCC)C(=O)c1ccc(Cl)cc1Cl

Cc1ccc(cc1)S(=O)(=O)Oc1ccc(Cl)cc1Cl

CCCC(=O)Oc1ccc(cc1Br)C(C)(C)C

Cc1ccnc2c1NC(=O)c3cccnc3N2C4CC4

OC1(C(=O)Nc2ccccc12)C(F)(F)F

OC1(C(=O)Nc2ccc(Cl)cc12)C(F)(F)F

CN1C(=O)C(O)(c2cc(Br)ccc12)C(F)(F)F

CC(=O)N1C(=O)C(O)(c2cc(Cl)ccc12)C(F)(F)F

CC(=O)N1C(=O)C(O)(c2cc(C)ccc12)C(F)(F)F

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

CC(=O)Nc1ccc(cc1)S(=O)(=O)NC1CCC(CC1)Nc1nc(Oc2c(C)cc(cc2C)C#N)c2sccc2n1 |(15.83,-25.31,;14.5,-24.55,;14.5,-23.01,;13.18,-25.32,;13.18,-26.85,;14.52,-27.62,;14.52,-29.16,;13.18,-29.93,;11.84,-29.16,;11.84,-27.63,;13.17,-31.47,;14.71,-31.47,;13.94,-32.8,;11.84,-32.24,;11.84,-33.78,;13.18,-34.56,;13.18,-36.09,;11.84,-36.86,;10.5,-36.11,;10.51,-34.56,;11.85,-38.4,;10.52,-39.18,;9.18,-38.41,;7.85,-39.19,;6.52,-38.41,;6.52,-36.87,;5.19,-36.11,;3.85,-36.88,;5.18,-34.57,;6.52,-33.79,;7.85,-34.57,;7.85,-36.11,;9.19,-36.88,;6.51,-32.25,;6.51,-30.71,;7.85,-40.74,;6.71,-41.77,;7.34,-43.17,;8.87,-43.01,;9.18,-41.5,;10.52,-40.73,)|

Cc1cc(cc(c1Oc2c(c(nc(n2)Nc3ccc(cc3)C#N)N)Br)C)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCC(CC2)NS(=O)(=O)c2ccc(cc2)C#N)nc2ccsc12)C#N |(54.37,-36.77,;55.71,-36,;55.7,-34.46,;57.04,-33.68,;58.37,-34.45,;58.37,-35.99,;59.7,-36.76,;57.04,-36.76,;57.04,-38.3,;58.37,-39.07,;59.7,-38.3,;61.04,-39.07,;62.37,-38.29,;62.36,-36.74,;63.7,-35.98,;63.7,-34.45,;62.36,-33.67,;61.02,-34.45,;61.02,-35.99,;62.36,-32.13,;63.69,-31.36,;65.22,-31.36,;64.46,-32.69,;63.7,-29.82,;65.03,-29.05,;65.03,-27.51,;63.7,-26.74,;62.36,-27.52,;62.36,-29.05,;63.69,-25.21,;63.68,-23.68,;61.04,-40.62,;59.7,-41.39,;59.39,-42.89,;57.86,-43.06,;57.23,-41.65,;58.36,-40.62,;57.03,-32.14,;57.03,-30.6,)|

Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccccc1

Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccc(cc1)C#N

Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1cccc(c1)C#N

Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccc(Cl)cc1

Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1cccc(Cl)c1

Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccccc1Cl

Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccc(F)cc1

Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1cccc(F)c1

Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccccc1F

Cc1ccc(cc1)-c1cc(C)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(C)c1

Cc1cccc(c1)-c1cc(C)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(C)c1

Cc1ccccc1-c1cc(C)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(C)c1

COc1ccc(cc1)-c1cc(C)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(C)c1

COc1cccc(c1)-c1cc(C)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(C)c1

COc1ccccc1-c1cc(C)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(C)c1

Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccc(cc1)C(F)(F)F

Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1cccc(c1)C(F)(F)F

Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccccc1C(F)(F)F

Cc1cc(C)cc(c1)-c1cc(C)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(C)c1

Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1cc(Cl)cc(Cl)c1

Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1cc(F)cc(F)c1

Cc1cccc(C)c1-c1cc(C)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(C)c1

Cc1cc(C)c(Oc2cc(Nc3ccc(cc3)C#N)ncc2C(=O)NCc2cn(CC(=O)N3CCCC3)nn2)c(C)c1

Cc1cc(C)c(Oc2cc(Nc3ccc(cc3)C#N)ncc2C(=O)NCc2cn(CC(=O)N3CCOCC3)nn2)c(C)c1

Cc1cc(C)cc(c1)S(=O)(=O)n1c(SCC(=O)Nc2ccc(cc2)S(C)(=O)=O)nc2ccccc12

COC(=O)c1ccc(NC(=O)CSc2nc3ccccc3n2S(=O)(=O)c2cc(C)cc(C)c2)cc1

Cc1ccc(NC(=O)CSc2nc3ccccc3n2S(=O)(=O)c2cc(C)cc(C)c2)cc1

Cc1cc(C)cc(c1)S(=O)(=O)n1c(OCC(=O)Nc2ccc(cc2Cl)S(C)(=O)=O)nc2ccccc12

Cc1cc(C)cc(c1)S(=O)(=O)n1c(SCC(=O)Nc2ccc(cc2)S(N)(=O)=O)nc2ccccc12

Cc1cc(C)cc(c1)S(=O)(=O)n1c(SCC(=O)Nc2ccccc2C(O)=O)nc2ccccc12

Cc1cc(C)cc(c1)S(=O)(=O)n1c(OCC(=O)Nc2ccccc2Br)nc2ccccc12

Cc1cc(C)cc(c1)S(=O)(=O)n1c(SCC(=O)Nc2ccc(cc2)C(O)=O)nc2ccccc12

Cc1cc(C)cc(c1)S(=O)(=O)n1c(SCC(=O)Nc2ccccc2Br)nc2ccccc12

Cc1cc(C)cc(c1)S(=O)(=O)n1c(SCC(=O)Nc2ccccc2C)nc2ccccc12

COC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2n1S(=O)(=O)c1cc(C)cc(C)c1

Cc1cc(C)cc(c1)S(=O)(=O)n1c(SCC(=O)Nc2ccccc2S(N)(=O)=O)nc2ccccc12

Cc1cc(C)cc(c1)S(=O)(=O)n1c(OCC(=O)Nc2ccccc2Cl)nc2ccccc12

Cc1cc(C)cc(c1)S(=O)(=O)n1c(SCC(=O)Nc2ccccc2Cl)nc2ccccc12

COC(=O)c1ccc(NC(=O)CSc2nc3ccccc3n2S(=O)(=O)c2cc(C)cc(C)c2)c(Cl)c1

Cc1cc(C)cc(c1)S(=O)(=O)n1c(OCC(=O)Nc2ccc(cc2Cl)S(N)(=O)=O)nc2ccccc12

Cc1cc(C)cc(c1)S(=O)(=O)n1c(SCC(=O)Nc2ccc(cc2Cl)S(N)(=O)=O)nc2ccccc12

Cc1cc(C)cc(c1)S(=O)(=O)n1c(SCC(=O)Nc2ccccc2S(C)(=O)=O)nc2ccccc12

Cc1cc(C)cc(c1)S(=O)(=O)n1c(SCC(=O)Nc2ccc(cc2Cl)S(C)(=O)=O)nc2ccccc12

COC(=O)c1ccc(NC(=O)COc2nc3ccccc3n2S(=O)(=O)c2cc(C)cc(C)c2)c(Cl)c1

Cc1cc(C)c(Nc2cnc(c(Nc3ccc(cc3)C#N)c2)[N+]([O-])=O)c(C)c1

Cc1cc(C)c(Oc2cnc(N)c(Nc3ccc(cc3)C#N)c2)c(C)c1

COc1cccc(OC)c1Oc1cnc(N)c(Nc2ccc(cc2)C#N)c1

Cc1cc(Cl)cc(C)c1Oc1cnc(N)c(Nc2ccc(cc2)C#N)c1

Nc1ncc(Oc2c(Br)cc(Br)cc2Br)cc1Nc1ccc(cc1)C#N

Cc1cccc(C)c1Oc1cnc(N)c(Nc2ccc(cc2)C#N)c1

Cc1cc(cc(C)c1Oc1cnc(N)c(Nc2ccc(cc2)C#N)c1)C#N

Cc1cc(Br)c(Oc2cnc(N)c(Nc3ccc(cc3)C#N)c2)c(Br)c1

Nc1ncc(Oc2c(Cl)cc(Cl)cc2Cl)cc1Nc1ccc(cc1)C#N

Cc1cc(Br)cc(C)c1Oc1cnc(N)c(Nc2ccc(cc2)C#N)c1

Cc1cc(Br)c(Oc2cnc(c(Nc3ccc(cc3)C#N)c2)[N+]([O-])=O)c(Br)c1

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|

COc1ccc2ccccc2c1\C=N\NC(=O)c3ccc(c(c3)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-])OCCCn3c(=O)c(C)cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]1(OS(=O)(=O)C=C1N)[C@H]2O[Si](C)(C)C(C)(C)C)c3=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|

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

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

Nc1nc(Cl)nc2n(cnc12)C1CC(O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C1)C#C

Nc1nc2n(cnc2c(=O)[nH]1)C1CC(O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C1)C#N

Cc1cn(C2CC(O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C2)C#C)c(=O)[nH]c1=O

Nc1nc(F)nc2n(cnc12)C1CC(O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C1)C#C

Nc1nc2n(cnc2c(=O)[nH]1)C1CC(O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C1)C#C

C#C[C@]1([C@H](C[C@@H](O1)n2cnc3c2nc(nc3N)F)O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O

C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N

Cc1cn(C2CC(O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C2)C#N)c(=O)[nH]c1=O

OC(=O)c1nc(nc(O)c1O)-c1ccccc1

OC(=O)c1nc(nc(O)c1O)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F

OP(O)(=O)C(Nc1cccc(c1)-c1ccc(NC(=O)C2CC2)cc1)P(O)(O)=O

Nc1ncnc2n(CCc3nc(O)c(O)c(n3)C(O)=O)cnc12

[#8]-[#6](=O)-[#6](=[#7]/[#7]-c1ccc(Cl)cc1)\[#6](-[#8])=O

Cc1cccc(c1)-c1nc(O)c(O)c(n1)C(O)=O

COc1ccc(cc1)-c1cc2c(NCc3nc(O)c(O)c(n3)C(O)=O)ncnc2nc1SC

C(=O)(O)P(=O)(O)O

Cc1ccc(cc1)-c1nc(O)c(O)c(n1)C(O)=O

Cc1noc(C)c1-c1ccc(cc1)-c1nc(O)c(O)c(n1)C(O)=O

COc1ccc(cc1)-c1cnc2ncnc(NCc3nc(O)c(O)c(n3)C(O)=O)c2c1

c1cc(ccc1C2=NC(=C(C(=O)N2)O)C(=O)O)Cl

OC(=O)c1nc(Cc2ccc(Cl)cc2)nc(O)c1O

OC(=O)c1nc(nc(O)c1O)-c1ccc(Br)cc1

OC(=O)c1nc(nc(O)c1O)-c1cccc(Cl)c1

OC(=O)c1nc(nc(O)c1O)-c1cccc(Br)c1

Cc1ccc(cc1Cl)-c1nc(O)c(O)c(n1)C(O)=O

OC(=O)c1nc(nc(O)c1O)-c1cccc(c1)-c1ccc(F)c(F)c1

Nc1ncnc2n(Cc3nc(O)c(O)c(n3)C(O)=O)cnc12

OC(=O)c1nc(CNc2ncnc3ncc(Br)cc23)nc(O)c1O

CSc1nc2ncnc(NCc3nc(O)c(O)c(n3)C(O)=O)c2cc1Br

COC(=O)c1nc(nc(O)c1O)-c1ccc(C)c(Br)c1

OC(=O)c1nc([nH]c(=O)c1O)-c1cccs1

CC(C)c1ccc(cc1)-c1nc(O)c(O)c(n1)C(O)=O

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

OC(=O)c1nc(CNc2ncnc3ncccc23)nc(O)c1O

CNC(=O)c1nc(nc(O)c1O)-c1ccc(C)c(Br)c1

CC(C)OC(=O)OCn1ccc2c(Oc3c(C)cc(cc3C)C#N)nc(Nc3ccc(cc3)C#N)nc12

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc2[nH]ccc12)C#N

COCCNc1cc(Oc2c(C)cc(\C=C\C#N)cc2C)nc(Nc2ccc(cc2)C#N)n1

CN(C)CCNc1cc(Oc2c(C)cc(\C=C\C#N)cc2C)cc(Nc2ccc(cc2)C#N)n1

Cc1cc(\C=C\C#N)cc(C)c1Oc1cc(NCCN2CCNCC2)nc(Nc2ccc(cc2)C#N)n1

Cc1cc(\C=C\C#N)cc(C)c1Oc1cc(NC2CC2)nc(Nc2ccc(cc2)C#N)c1

Cc1cc(\C=C\C#N)cc(C)c1Oc1cc(NCCCN2CCOCC2)nc(Nc2ccc(cc2)C#N)c1

COCCNc1cc(Oc2c(C)cc(\C=C\C#N)cc2C)cc(Nc2ccc(cc2)C#N)n1

Cc1cc(\C=C\C#N)cc(C)c1Oc1cc(NCCN2CCOCC2)nc(Nc2ccc(cc2)C#N)c1

Cc1cc(\C=C\C#N)cc(C)c1Oc1cc(NCCC#N)nc(Nc2ccc(cc2)C#N)n1

CN(C)CCNc1cc(Oc2c(C)cc(\C=C\C#N)cc2C)nc(Nc2ccc(cc2)C#N)n1

COC(Nc1cc(Oc2c(C)cc(\C=C\C#N)cc2C)nc(Nc2ccc(cc2)C#N)n1)OC

Cc1cc(\C=C\C#N)cc(C)c1Oc1cc(NCCN2CCOCC2)nc(Nc2ccc(cc2)C#N)n1

Cc1cc(\C=C\C#N)cc(C)c1Oc1cc(Cl)nc(Nc2ccc(cc2)C#N)c1

Cc1cc(\C=C\C#N)cc(C)c1Oc1cc(Cl)nc(Nc2ccc(cc2)C#N)n1

Cc1cc(\C=C\C#N)cc(C)c1Oc1cc(NCC=C)nc(Nc2ccc(cc2)C#N)c1

Cc1cc(\C=C\C#N)cc(C)c1Oc1cc(NCC=C)nc(Nc2ccc(cc2)C#N)n1

Cc1cc(\C=C\C#N)cc(C)c1Oc1cc(NC2CC2)nc(Nc2ccc(cc2)C#N)n1

Cc1cc(\C=C\C#N)cc(C)c1Oc1cc(NCC2CCCO2)nc(Nc2ccc(cc2)C#N)n1

Cc1cc(\C=C\C#N)cc(C)c1Oc1cc(NCC2CCCO2)nc(Nc2ccc(cc2)C#N)c1

CN1CCN(CCNc2cc(Oc3c(C)cc(\C=C\C#N)cc3C)cc(Nc3ccc(cc3)C#N)n2)CC1

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)ncc1SCC(=O)N1CCSCC1)C#N

COC(=O)CCSc1cnc(Nc2ccc(cc2)C#N)nc1Oc1c(C)cc(cc1C)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)ncc1SCC(=O)C(O)=O)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)ncc1SCC(=O)NCCN1CCOCC1)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)ncc1SCC(=O)NCCN1CCN(CC1)C(=O)OC(C)(C)C)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)ncc1SCC(=O)N1CCN(CC1)C(=O)OC(C)(C)C)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)ncc1SCC(=O)Nc1ccc(cc1)S(C)(=O)=O)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)ncc1SCC(=O)NC1CC1)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)ncc1SCC(N)=O)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)ncc1SCC(=O)NCC1CCCO1)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)ncc1SCC(=O)NCC1CC1)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)ncc1SCC(=O)NCC=C)C#N

COCCNC(=O)CSc1cnc(Nc2ccc(cc2)C#N)nc1Oc1c(C)cc(cc1C)C#N

COC(=O)CCS(=O)(=O)c1cnc(Nc2ccc(cc2)C#N)nc1Oc1c(C)cc(cc1C)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)ncc1SCC(=O)NC1CCN(CC1)C(=O)OC(C)(C)C)C#N

COC(=O)CS(=O)(=O)c1cnc(Nc2ccc(cc2)C#N)nc1Oc1c(C)cc(cc1C)C#N

COC(=O)CSc1cnc(Nc2ccc(cc2)C#N)nc1Oc1c(C)cc(cc1C)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)ncc1SCC(=O)NCCCN1CCOCC1)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)ncc1SCC(=O)N1CC[C@@H](C1)NC(=O)OC(C)(C)C)C#N |r|

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)ncc1SCC(=O)NCc1ccc(O)cc1)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)ncc1SCC(=O)NCC#C)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3cn(cn3)S(C)(=O)=O)CC2)nc2ccsc12)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)nc2ccn(COCc3ccccc3)c12)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(C)(=O)=O)CC2)nc2ccn(COCc3ccccc3)c12)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)C(N)=O)CC2)nc2ccn(COCc3ccccc3)c12)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccco3)CC2)nc2ccsc12)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3cc(=O)[nH]c(=O)[nH]3)CC2)nc2ccsc12)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)nc2cc[nH]c12)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)C(N)=O)CC2)nc2cc[nH]c12)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3n[nH]c(=O)n3C)CC2)nc2ccsc12)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3c[nH]cn3)CC2)nc2ccsc12)C#N

Cc1cc(cc(C)c1Nc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)nc2ccsc12)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)nc2ccsc12)C#Cc1cccnc1

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)nc2ccsc12)C#Cc1ccccn1

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

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)C(N)=O)CC2)nc2ccn(c12)S(=O)(=O)c1ccccc1)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)N3CCCC3)CC2)nc2ccsc12)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)nc2ccsc12)C#Cc1ccncc1

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(C)(=O)=O)CC2)nc2ccn(c12)S(=O)(=O)c1ccccc1)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)nc2ccn(c12)S(=O)(=O)c1ccccc1)C#N

Cc1cc(\C=C\C#N)cc(C)c1Nc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)nc2ccsc12

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(C)(=O)=O)CC2)nc2cc[nH]c12)C#N

CCOC(=O)c1cnc(nc1Oc1c(C)cc(cc1C)-c1ccc(cc1)C#N)N1CCN(Cc2ccc(F)cc2)CC1

CCOC(=O)c1cnc(nc1Oc1c(C)cc(cc1C)-c1ccc(cc1)C#N)N1CCN(Cc2ccc(cc2)S(N)(=O)=O)CC1

CCOC(=O)c1cnc(nc1Oc1c(C)cc(cc1C)-c1ccc(cc1)C#N)N1CCN(Cc2cccc(c2)[N+]([O-])=O)CC1

Nc1cc(Nc2ccc(cc2)C#N)nc(Cc2c(Cl)cccc2Cl)n1

Cc1cc(Br)cc(C)c1Sc1ccnc(Nc2ccc(cc2)C#N)n1

Cc1cc(cc(C)c1Nc1nc(Nc2ccc(cc2)C#N)ncc1C#N)C#N

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)ncc1N)C#N

Fc1cc(\C=C\C#N)cc(F)c1Nc1nc(NCCCN2CCOCC2)nc(Nc2ccc(cc2)C#N)n1

Nc1cc(Cc2c(Cl)cccc2Cl)nc(Nc2ccc(cc2)C#N)n1

Cc1cc(C)c(Nc2nc(Nc3ccc(cc3)C#N)ncc2C=C)c(C)c1

CC(=O)Nc1cnc(Nc2ccc(cc2)C#N)nc1Oc1c(C)cc(cc1C)C#N

Cc1cc(cc(C)c1Nc1nc(Nc2ccc(cc2)C#N)ncc1Br)C#N

Nc1nc(Cc2c(Cl)cccc2Cl)nc(Nc2ccc(cc2)C#N)n1

Cc1cc(c(c(c1)C)Nc2ccnc(n2)Nc3ccc(cc3)C#N)C

Cc1cc(C)c(Nc2ccnc(Nc3ccc(cc3)C(N)=O)n2)c(C)c1

Cc1cc(C)c(Nc2nc(Nc3ccc(cc3)C#N)ncc2C#C)c(C)c1

Cc1cc(cc(C)c1Nc1nc(Nc2ccc(cc2)C#N)ncc1Cl)C#N

O=C(NCCCN1CCCC1)c1cnc(Nc2ccc(cc2)C#N)nc1Nc1ccc(\C=C\C#N)cc1

NS(=O)(=O)c1ccc(CCNc2cc(Nc3ccc(\C=C\C#N)cc3)nc(Nc3ccc(cc3)C#N)n2)cc1

Cc1cc(C)c(Nc2cc(OCCCN3CCOCC3)nc(Nc3ccc(cc3)C#N)n2)c(C)c1

Cc1cc(C)c(Nc2nc(N)nc(Nc3ccc(nc3)C#N)n2)c(C)c1

Brc1c(Oc2ccnc(Nc3ccc(cc3)C#N)n2)ccc2ccccc12

Brc1c(Oc2ccnc(Nc3ccc(cc3)C#N)n2)ccc2cc(ccc12)C#N

N\N=C(/c1ccnc(Nc2ccc(cc2)C#N)n1)c1ccccc1Br

Cc1cnc(Nc2ccc(cc2)C#N)nc1Nc1c(C)cc(cc1C)C#N

N\N=C(\c1ccc2ccccc2c1)c1ccnc(Nc2ccc(cc2)C#N)n1

Cc1cc(cc(C)c1Oc1ccnc(Nc2ccc(cc2)C#N)n1)C#N

Nc1nc(Cc2c(Cl)cccc2Cl)cc(Nc2ccc(cc2)C#N)n1

Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)C#N

Cc1cc(C)c(Nc2ccnc(Nc3ccc(Cl)cc3)n2)c(C)c1

CN(C)CCNC(=O)c1cnc(Nc2ccc(cc2)C#N)nc1Nc1ccc(\C=C\C#N)cc1

Cc1cc(C)c(Nc2nc(Cl)nc(Nc3ccc(nc3)C#N)n2)c(C)c1

Cc1cc(cc(C)c1Oc1ccnc(Nc2ccc(cc2)C#N)n1)C#Cc1cccnc1

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)ncc1[N+]([O-])=O)C#N

N#C\C=C\c1ccc(Nc2cc(NCCCN3CCOCC3)nc(Nc3ccc(cc3)C#N)n2)cc1

Cc1cc(cc(c1Nc2nc(nc(n2)OCCCN3CCOCC3)Nc4ccc(cc4)C#N)C)/C=C/C#N

CCN(N1CCOCC1)c1nc(Nc2ccc(cc2)C#N)nc(Oc2c(C)cc(C)cc2C)n1

Cc1cc(nc(Nc2ccc(cc2)C#N)n1)C(C#N)c1ccccc1F

Cc1cc(C)c(Nc2nc(Nc3ccc(cc3)C#N)ncc2-c2ccccc2)c(C)c1

Cc1cc(cc(C)c1Oc1ccnc(Nc2ccc(cc2)C#N)n1)C#CCCO

Cc1ccc(c(c1)N[C@@H](c2c(cccc2Cl)Cl)C(=O)N)C(=O)C

COc1ccc2c3CN(COc3ccc2c1)c1nc(cs1)-c1ccc(F)cc1

FC(F)(F)c1ccc(cc1)-c1csc(n1)N1COc2ccc3ccccc3c2C1

COc1ccc2c3CN(COc3ccc2c1)c1nc(cs1)-c1ccc(cc1)C(F)(F)F

Fc1ccc(cc1)-c1csc(n1)N1COc2ccc3ccccc3c2C1

C[C@H]1Oc2c3C=CC(C)(C)Oc3c3c(cc(=O)oc3c2[C@@H](O)[C@@H]1C)-c1ccccc1 |c:5|

Brc1ccc(COc2ccnc(Nc3ccc(cc3)C#N)n2)cc1

FC(F)(F)c1cccc(COc2ccnc(Nc3ccc(cc3)C#N)n2)c1

COc1cc(COc2ccnc(Nc3ccc(cc3)C#N)n2)cc(OC)c1

Fc1cc(Br)ccc1COc1ccnc(Nc2ccc(cc2)C#N)n1

N#Cc1ccc(Nc2nccc(OCc3ccccc3C#N)n2)cc1

N#Cc1ccc(Nc2nccc(OCc3cccc(c3)C#N)n2)cc1

N#Cc1ccc(Nc2nccc(OCc3ccccc3)n2)cc1

N#Cc1ccc(Nc2nccc(OCc3cccc4ccccc34)n2)cc1

N#Cc1ccc(Nc2nccc(OCc3ccc4ccccc4c3)n2)cc1

N#Cc1ccc(Nc2nccc(NCc3ccccn3)n2)cc1

Cc1cc(C)nc(Sc2ccnc(Nc3ccc(cc3)C#N)n2)n1

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

Clc1ccccc1COc1ccnc(Nc2ccc(cc2)C#N)n1

Clc1cccc(COc2ccnc(Nc3ccc(cc3)C#N)n2)c1

Brc1ccccc1COc1ccnc(Nc2ccc(cc2)C#N)n1

Brc1cccc(COc2ccnc(Nc3ccc(cc3)C#N)n2)c1

Fc1ccccc1COc1ccnc(Nc2ccc(cc2)C#N)n1

Fc1ccc(COc2ccnc(Nc3ccc(cc3)C#N)n2)cc1

Cc1ccccc1COc1ccnc(Nc2ccc(cc2)C#N)n1

Cc1cccc(COc2ccnc(Nc3ccc(cc3)C#N)n2)c1

COc1ccccc1COc1ccnc(Nc2ccc(cc2)C#N)n1

COc1cccc(COc2ccnc(Nc3ccc(cc3)C#N)n2)c1

FC(F)(F)c1ccccc1COc1ccnc(Nc2ccc(cc2)C#N)n1

Fc1ccc(Br)c(COc2ccnc(Nc3ccc(cc3)C#N)n2)c1

N#Cc1ccc(COc2ccnc(Nc3ccc(cc3)C#N)n2)cc1

CN(C)c1ccnc(Nc2ccc(cc2)C#N)n1

Fc1cccc(COc2ccnc(Nc3ccc(cc3)C#N)n2)c1

Cc1ccc(COc2ccnc(Nc3ccc(cc3)C#N)n2)cc1

COc1ccc(COc2ccnc(Nc3ccc(cc3)C#N)n2)cc1

N#Cc1ccc(Nc2nccc(OCc3cccnc3)n2)cc1

Clc1ccc(COc2ccnc(Nc3ccc(cc3)C#N)n2)cc1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)Nc1ccnc(c1)C#N

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccc2nc(N)[nH]c2c1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCC(=O)NCc1ccncn1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCC(=O)NCc1ccco1

C[C@@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1)c1ccccc1F |r|

C[C@@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1)C(=O)NCc1ccncc1 |r|

C[C@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1)C(=O)NCc1ccncc1 |r|

C[C@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1)C(=O)N[C@H](C)c1ccncc1 |r|

C[C@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1)C(=O)N[C@@H](C)c1ccncc1 |r|

C[C@@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1)C(=O)N[C@H](C)c1ccncc1 |r|

C[C@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1)C(=O)NCc1ccncn1 |r|

C[C@@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1)C(=O)NCc1ccco1 |r|

C[C@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1)C(=O)NCc1ccco1 |r|

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1cccc(N)c1

C[C@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1)c1ccccc1F |r|

C[C@@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1)C(=O)N[C@@H](C)c1ccncc1 |r|

C[C@@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1)C(=O)NCc1ccncn1 |r|

[H][C@@]12CC[C@@]3(C)C4=CC[C@]5(CCC(C)(C)C[C@@]5([H])[C@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](OC(C)=O)C2(C)C)C(O)=O |r,t:6|

[H][C@@]12CC[C@@]3(C)C4=CC[C@]5(CCC(C)(C)C[C@@]5([H])[C@]4(C)CC[C@]3([H])[C@@]1(C)[C@H](O)C[C@H](OC(=O)c1ccc(O)cc1)C2(C)C)C(O)=O |r,t:6|

[H][C@@]12CC[C@@]3(C)C4=CC[C@]5(CCC(C)(C)C[C@@]5([H])[C@]4(C)CC[C@]3([H])[C@@]1(C)[C@H](O)C[C@H](O)C2(C)C)C(O)=O |r,t:6|

[H][C@@]12CC[C@@]3(C)C4=CC[C@]5(CCC(C)(C)C[C@@]5([H])[C@]4(C)CC[C@]3([H])[C@@]1(C)C[C@@H](O)[C@H](O)C2(C)C)C(O)=O |r,t:6|

COc1cc2c(ccc3c4cc(OC)c(OC)cc4c[n+](C)c23)cc1O

[H][C@@]12CC[C@@]3(C)C4=CC[C@]5(CCC(C)(C)C[C@@]5([H])[C@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](O)C2(C)C)C(O)=O |r,t:6|

[H][C@]1(CC2=NCCc3cc(OC)c(OC)cc23)C[C@]2([H])N(CCc3cc(OC)c(OC)cc23)C[C@@H]1CC |r,t:3|

[H][C@@]12CC[C@@]3(C)C4=CC[C@]5(CCC(C)(C)C[C@@]5([H])[C@]4(C)CC[C@]3([H])[C@@]1(C)C[C@@H](OC(=O)c1ccc(O)cc1)[C@H](OC(=O)c1ccc(O)cc1)C2(C)C)C(O)=O |r,t:6|

NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(Br)n2-c2ccc(C3CC3)c3ccccc23)c(Cl)c1 |(8.64,-5.93,;8.16,-7.4,;6.7,-6.92,;7.69,-8.86,;9.63,-7.87,;10.77,-6.84,;12.24,-7.32,;12.56,-8.83,;14.02,-9.3,;15.17,-8.27,;14.85,-6.76,;16.63,-8.75,;17.78,-7.72,;19.24,-8.19,;19.72,-9.66,;21.26,-9.66,;21.73,-8.19,;23.2,-7.72,;20.49,-7.29,;20.49,-5.75,;19.15,-4.98,;19.15,-3.44,;20.49,-2.67,;20.49,-1.13,;19.72,.21,;21.26,.21,;21.82,-3.44,;23.15,-2.67,;24.49,-3.44,;24.49,-4.98,;23.15,-5.75,;21.82,-4.98,;11.41,-9.86,;11.73,-11.36,;9.95,-9.38,)|

Cc1cn([C@@H]2O[C@H](CO)C=C2)c(=O)[nH]c1=O |r,c:9|

Cc1cn([C@H]2CC[C@@H](OCP(O)(O)=O)O2)c(=O)[nH]c1=O

C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(O)O

Cc1cn([C@@H]2O[C@H](OCP(O)(O)=O)C=C2)c(=O)[nH]c1=O |c:13|

Cc1cn([C@H]2CC[C@@H](OCP(O)(O)=O)O2)c(=O)[nH]c1=O

CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO

CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O

CO\N=C(/Cl)CCC\C=C(/c1cc(C)c(OC)c(c1)C(\Cl)=N\OC)c1cc(C)c2oc(=O)n(C)c2c1

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

CO\N=C(/Br)CCC\C=C(/c1cc(C)c(OC)c(c1)C(\Br)=N\OC)c1cc(C)c2oc(=O)n(C)c2c1

CO\N=C(/F)c1cc(cc(C)c1OC)C(=C/CCCc1nc(C)no1)\c1cc(C)c2oc(=O)n(C)c2c1

CO\N=C(/F)c1cc(cc(C)c1OC)C(=C/CCCC(=O)OC)\c1cc(C)c2oc(=O)n(C)c2c1

CONC(=O)c1cc(cc(C)c1OC)C(=C/CCCC(=O)OC(C)(C)C)\c1cc(C)c2oc(=O)n(C)c2c1

COC(=O)CCC\C=C(/c1cc(C)c(OC)c(c1)C(=O)OC)c1cc(C)c2oc(=O)n(C)c2c1

CONC(=O)c1cc(cc(C)c1OC)C(=C/CCC\C(Cl)=N\OC)\c1cc(C)c2oc(=O)n(C)c2c1

CCc1c(Cc2cc(C)cc(C)c2)n(COCc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)c(=O)[nH]c1=O

CC(C)c1c(Cc2ccccc2)n(COCc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)c(=O)[nH]c1=O

Oc1c(O)c(=O)c(O)c(cc1-c1cccc(C=O)c1)-c1ccc(C=O)cc1

Oc1nc(S)nc2Oc3nc(S)nc(O)c3C(c3ccc(cc3)[N+]([O-])=O)c12

CCc1c(Cc2ccccc2)n(COCc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)c(=O)[nH]c1=O

OC(=O)C(\O)=C\C(=O)c1cccc(Cc2ccccc2)c1

CC(C)c1c(Cc2cc(C)cc(C)c2)n(COCc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)c(=O)[nH]c1=O

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

OC(=O)c1ccc(cc1)\N=N\c1c(O)c2ccc(NC(=O)Nc3ccc4c(O)c(\N=N\c5ccc(cc5)C(O)=O)c(cc4c3)S(O)(=O)=O)cc2cc1S(O)(=O)=O

CCN(CC)CCN1C(SCC1=O)C12CC3CC(CC(C3)C1)C2 |TLB:16:17:15.14.20:21,THB:16:15:17.22.18:21,18:17:14:20.19.21,18:19:16.17.22:14|

CCN(CC)CCCN1C(SCC1=O)C12CC3CC(CC(C3)C1)C2 |TLB:17:18:16.15.21:22,THB:17:16:18.23.19:22,19:18:15:21.20.22,19:20:17.18.23:15|

CN(C)CCN1C(SCC1=O)C12CC3CC(CC(C3)C1)C2 |TLB:14:15:13.12.18:19,THB:14:13:15.20.16:19,16:15:12:18.17.19,16:17:14.15.20:12|

Cc1cccc(n1)N1C(SCC1=O)C12CC3CC(CC(C3)C1)C2 |TLB:16:17:15.14.20:21,THB:16:15:17.22.18:21,18:17:14:20.19.21,18:19:16.17.22:14|

Cc1cc(C)nc(c1)N1C(SCC1=O)C12CC3CC(CC(C3)C1)C2 |TLB:9:14:16.17.21:19,THB:22:14:17:21.20.19,22:20:15.14.23:17,15:14:16.17.21:19,15:16:14.23.22:19|

Cc1cc(C)nc(c1)N1[C@@H](SCC1=O)C12CC3CC(CC(C3)C1)C2 |TLB:17:18:16.15.21:22,THB:17:16:18.23.19:22,19:18:15:21.20.22,19:20:17.18.23:15|

Cc1ccnc(c1)N1C(SCC1=O)C12CC3CC(CC(C3)C1)C2 |TLB:16:17:15.14.20:21,THB:16:15:17.22.18:21,18:17:14:20.19.21,18:19:16.17.22:14|

Cc1cc(C)nc(c1)N1[C@H](SCC1=O)C12CC3CC(CC(C3)C1)C2 |r,TLB:9:14:16.17.21:19,THB:9:14:17:21.20.19,22:14:17:21.20.19,22:20:15.14.23:17,15:14:16.17.21:19,15:16:14.23.22:19|

CN(C)CCCN1C(SCC1=O)C12CC3CC(CC(C3)C1)C2 |TLB:15:16:14.13.19:20,THB:15:14:16.21.17:20,17:16:13:19.18.20,17:18:15.16.21:13|

CC1SCC(=O)N1c1cc(C)cc(C)n1

COc1c(C)cc(cc1C(=O)SC)C(=C/CCCc1nnc(C)o1)\c1ccc(cc1)C#N

COc1c(C)cc(cc1C(=O)SC)C(=C\CCCc1nnc(C)o1)\c1ccc(cc1)C#N

[#6]-[#8]-c1c(-[#6])cc(cc1-[#6](=O)-[#16]-[#6])-[#6](=[#6]\[#6]-[#6]-[#6]-c1nnc(-[#6])o1)\c1cc(-[#6])c(-[#8]-[#6])c(c1)-[#6](=O)-[#16]-[#6]

[#6]-[#8]-c1c(-[#6])cc(cc1-[#6](=O)-[#16]-[#6])-[#6](=[#6]/[#6]-[#6]-c1nnn(-[#6])n1)\c1cc(-[#6])c(-[#8]-[#6])c(c1)-[#6](=O)-[#16]-[#6]

COC(=O)c1cc(cc(C)c1OC)C(=C/CCc1nnc(C)o1)\c1cc(C)c2onc(OC)c2c1

[#6]-[#8]-c1c(-[#6])cc(cc1-[#6](=O)-[#16]-[#6])-[#6](=[#6]\[#6]-[#6]-c1nnc(-[#6])o1)\c1cc(-[#6])c(-[#8]-[#6])c(c1)-[#6](=O)-[#16]-[#6]

COC(=O)c1cc(cc(C)c1OC)C(=C/CCc1nnc(C)o1)\c1cc(C)c2on(C)c(=O)c2c1

COc1c(C)cc(cc1C(=O)SC)C(=C/CCc1nnc(C)o1)\c1ccc(cc1)C#N

[#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]

COc1c(C)cc(cc1C(=O)SC)C(=C\CCc1nnc(C)o1)\c1ccc(cc1)C#N

COc1noc2c(C)cc(cc12)C(=C\CCc1nnc(C)o1)\c1cc(C)c(OC)c(c1)C(=O)SC

COc1c(C)cc(cc1C(=O)SC)C(=C\CCCc1nnc(C)o1)\c1cc(C)c2on(C)c(=O)c2c1

COC(=O)CCC\C=C(/c1cc(C)c(OC)c(c1)C(=O)OC)c1cc(C)c2onc(OC)c2c1

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

COc1c(C)cc(cc1C(=O)SC)C(=C\CCc1nnc(C)o1)\c1cc(C)c2oc(=O)n(C)c2c1

COC(=O)c1cc(cc(C)c1OC)C(=C/CCc1nnc(C)o1)\c1cccc(c1)C#N

COc1c(C)cc(cc1C(=O)SC)C(=C/CCc1nnc(C)o1)\c1cccc(c1)C#N

COc1noc2c(C)cc(cc12)C(=C/CCc1nnc(C)o1)\c1cc(C)c(OC)c(c1)C(=O)SC

COC(=O)c1cc(cc(C)c1OC)C(=C/CCc1nnn(C)n1)\c1cc(C)c(OC)c(c1)C(=O)SC

COc1c(C)cc(cc1C(=O)SC)C(=C\CCCc1nnc(C)o1)\c1cc(C)c2oc(=O)n(C)c2c1

COC(=O)c1cc(cc(C)c1OC)C(=C/CCc1nnc(C)o1)\c1cc(C)c(OC)c(c1)C(=O)SC

COc1c(C)cc(cc1C(=O)SC)C(=C\CCc1nnc(C)o1)\c1cccc(c1)C#N

COC(=O)c1cc(cc(C)c1OC)C(=C/CCc1nnn(C)n1)\c1cccc(c1)C#N

COc1c(C)cc(cc1C(=O)SC)C(=C/CCc1nnc(C)o1)\c1ccc2oncc2c1

COc1noc2c(C)cc(cc12)C(=C\CCCc1nnc(C)o1)\c1cc(C)c(OC)c(c1)C(=O)SC

[#6]-[#8]-[#6](=O)-c1cc(cc(-[#6])c1-[#8]-[#6])-[#6](=[#6]/[#6]-[#6]-c1nnc(-[#6])o1)\c1cc(-[#6])c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]

COC(=O)c1cc(cc(C)c1OC)C(=C\CCc1nnc(C)o1)\c1cc(C)c2oc(=O)n(C)c2c1

COc1noc2c(C)cc(cc12)C(=C/CCCc1nnc(C)o1)\c1cc(C)c(OC)c(c1)C(=O)SC

[#6]-[#8]-[#6](=O)-c1cc(cc(-[#6])c1-[#8]-[#6])-[#6](=[#6]/[#6]-[#6]-c1nnn(-[#6])n1)\c1cc(-[#6])c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]

COc1c(C)cc(cc1C(=O)SC)C(=C\CCCc1nnc(C)o1)\c1cccc(c1)C#N

COc1c(C)cc(cc1C(=O)SC)C(=C\CCc1nnc(C)o1)\c1cc(C)c2on(C)c(=O)c2c1

COc1c(C)cc(cc1C(=O)SC)C(=C/CCCc1nnc(C)o1)\c1cccc(c1)C#N

COC(=O)c1cc(cc(C)c1OC)C(=C/CCc1nnc(C)o1)\c1ccc(cc1)C#N

COc1c(C)cc(cc1C(=O)SC)C(=C/CCc1nnc(C)o1)\c1cc(C)c2on(C)c(=O)c2c1

COc1c(C)cc(cc1C(=O)SC)C(=C/CCCc1nnc(C)o1)\c1cc(C)c2on(C)c(=O)c2c1

COc1c(C)cc(cc1C(=O)SC)C(=C\CCc1nnc(C)o1)\c1ccc2oc(=O)n(C)c2c1

Cc1cc(C)cc(Cn2c3cc(Cl)ccc3[nH]c2=O)c1

Fc1cccc(F)c1Cn1c2cc(Cl)ccc2[nH]c1=O

Cc1cc(C)cc(c1)S(=O)(=O)n1c2cc(Cl)ccc2[nH]c1=O

OC(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1

CC(C)(C)c1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1Cl)-c1ccc(cc1)C(C)(C)C(O)=O

CC(C)(C)c1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1Cl)C#CC(O)=O

CC(C)(C)c1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccccc1Cl

NS(=O)(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1

CC(C)(C)c1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1Cl)S(C)(=O)=O

CC(C)(C)c1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1Cl)C#CCCO

CC(C)(C)c1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1Cl)C(O)=O

[O-][N+](=O)c1ccccc1NC(=O)CSc1nnnn1-c1cccc2ccccc12

OCCC#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1

CC(C)(C)c1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1Cl)S(N)(=O)=O

CC(C)(C)c1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccc(CCC(O)=O)cc1Cl

C[C@H]1[C@@]2(O)CC[C@@H]3[C@]1(CO2)CC[C@H]1[C@@]3(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O |r|

CCC(=O)c1ccc(F)c([C@@H]2C[C@@H]2NC(=O)Nc2ccc(cn2)C#N)c1O

Cc1c(CNC2CCCCC2)c(=O)[nH]c(=O)n1COCc1ccccc1

CCOCn1c(C)c(CNc2ccccc2[N+]([O-])=O)c(=O)[nH]c1=O

Cc1ccc(NCc2c(C)n(COCc3ccccc3)c(=O)[nH]c2=O)cc1

CCOCn1c(C)c(CNc2cc(Cl)c(Cl)cc2Cl)c(=O)[nH]c1=O

CN(Cc1c(C)n(COCc2ccccc2)c(=O)[nH]c1=O)c1ccccc1

CCOCn1c(C)c(CNc2ccccn2)c(=O)[nH]c1=O

CCOCn1c(C)c(CNc2cc(C)ccc2C)c(=O)[nH]c1=O

Cc1c(CNc2cc(Cl)c(Cl)cc2Cl)c(=O)[nH]c(=O)n1COCc1ccccc1

CC(c1nc([nH]c(=O)c1C)N1CCOCC1)c1c(F)cccc1F

Cc1c(Cc2c(F)cccc2F)nc([nH]c1=O)N1CCN(CC1)c1ccccn1

Cc1c(Cc2c(F)cccc2F)nc([nH]c1=O)N1CCOCC1

Fc1cccc(F)c1Cc1cc(=O)[nH]c(n1)N1CCCCC1

COc1ccccc1N1CCN(CC1)c1nc(Cc2c(F)cccc2F)c(C)c(=O)[nH]1

CC1CCN(CC1)c1nc(Cc2c(F)cccc2F)c(C)c(=O)[nH]1

CN(C)c1nc(Cc2c(F)cccc2F)c(C)c(=O)[nH]1

Fc1cccc(F)c1Cc1cc(=O)[nH]c(n1)N1CCOCC1

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

CCN(C)c1nc(C(C)c2c(F)cccc2F)c(C)c(=O)[nH]1

Fc1cccc(F)c1Cc1cc(=O)[nH]c(n1)N1CCSCC1

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

CCCNc1nc(C(C)c2c(F)cccc2F)c(C)c(=O)[nH]1

CN1CCN(CC1)c1nc(Cc2c(F)cccc2F)cc(=O)[nH]1

CCC(c1nc([nH]c(=O)c1C)N(C)C)c1c(F)cccc1F

CC(C)N(C)c1nc(C(C)c2c(F)cccc2F)c(C)c(=O)[nH]1

Cc1c(Cc2c(F)cccc2N2CCCC2)nc([nH]c1=O)N1CCCC1

CCC(c1cc(=O)[nH]c(n1)N(C)C)c1c(F)cccc1F

CC(c1nc([nH]c(=O)c1C)N1CCSCC1)c1c(F)cccc1F

CC(c1nc([nH]c(=O)c1C)N1CCCCC1)c1c(F)cccc1F

CN(C)c1nc(Cc2c(F)cccc2F)cc(=O)[nH]1

CCCN(C)c1nc(C(C)c2c(F)cccc2F)c(C)c(=O)[nH]1

Cc1c(Cc2c(F)cccc2F)nc([nH]c1=O)N1CCSCC1

CCc1c(nc([nH]c1=O)N(C)C)C(C)c1c(F)cccc1F

CN1CCN(CC1)c1nc(Cc2c(F)cccc2F)c(C)c(=O)[nH]1

CCCN(C)c1nc(Cc2c(F)cccc2F)c(C)c(=O)[nH]1

Cc1c(Cc2c(F)cccc2F)nc([nH]c1=O)N1CCCCCC1

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

COc1noc2c(C)cc(cc12)C(=C/CCc1nnc(C)o1)\c1ccc(cc1)C#N

COc1noc2c(C)cc(cc12)C(=C\CCc1nnc(C)o1)\c1cccc(c1)C#N

[#6]-[#8]-[#6](=O)-c1cc(cc(Br)c1-[#8]-[#6])-[#6](=[#6]/[#6]-[#6]-[#6]-[#6]=[#6])\c1cc(Br)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]

[#6]-[#8]-[#6](=O)-c1cc(cc(Br)c1-[#8]-[#6])-[#6](=[#6]/[#6]-[#6]-[#6]-c1ccccc1)\c1cc(Br)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]

Cc1nnc(CC\C=C(\c2cccc(c2)C#N)c2cc(C)c3on(C)c(=O)c3c2)o1

COc1noc2c(C)cc(cc12)C(=C/CCc1nnc(C)o1)\c1cccc(c1)C#N

[#6]-[#8]-[#6](=O)-c1cc(cc(Cl)c1-[#8]-[#6])-[#6](=[#6]/[#6]-[#6]-[#6]-[#16]-[#6])\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](OCP(O)(O)=O)C=C1 |r,c:21|

CO[C@H]1O[C@H](C(F)=C1)n1cnc2c(N)ncnc12 |c:6|

c1nc(c2c(n1)n(cn2)[C@H]3C(=C[C@H](O3)OCP(=O)(O)O)F)N

Cc1cn([C@H]2CO[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)[nH]c1=O

Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)O2)c(=O)[nH]c1=O |r|

Nc1nc2N(CNc2c(=O)[nH]1)[C@@H]1C[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C=C1 |r,c:30|

C[C@@H](Cn1cnc2c(N)ncnc12)OCP(O)(=O)OP(O)(=O)OP(O)(O)=O

Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1CO[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1

c1cc(c(cc1C[C@H](C(=O)O)OC(=O)/C=C/c2ccc(c(c2)O)O)O)O

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,)|

Clc1cc(Oc2cc(OCc3nc4cccc(Cl)c4o3)ccc2Cl)cc(c1)C#N

Clc1cc(Oc2cc(OCc3nc4cccc(Cl)c4s3)ccc2Cl)cc(c1)C#N

CS(=O)(=O)c1ccc2N(CCc2c1)C(=O)COc1ccc(Cl)c(Oc2cc(Cl)cc(c2)C#N)c1

NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)c(Cl)c1

NS(=O)(=O)c1ccc(NC(=O)COc2cc(Cl)cc(Oc3cccc(c3)C#N)c2)c(Cl)c1

Clc1cc(Oc2cc(OCc3nc4ccccc4s3)ccc2Cl)cc(c1)C#N

c1cc(c(cc1S(=O)(=O)N)Cl)NC(=O)COc2cc(cc(c2)Cl)Oc3cc(cc(c3)Cl)C#N

NS(=O)(=O)c1ccc(NC(=O)COc2cc(Cl)cc(Oc3ccccc3)c2)c(Cl)c1

Clc1cc(Oc2cc(OCc3nc4cccc(Cl)c4[nH]3)ccc2Cl)cc(c1)C#N

Cc1cc(ccc1NC(=O)COc2ccc(cc2C(=O)c3cc(cc(c3)Cl)C#N)Cl)S(=O)(=O)N

NS(=O)(=O)c1ccc(NC(=O)COc2cccc(Oc3ccccc3)c2)c(Cl)c1

Clc1cc(Oc2cc(OCc3n[nH]c4ccccc34)ccc2Cl)cc(c1)C#N

CS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)c(Cl)c1

CCc1c(C)[nH]c(=O)c(NC=O)c1Cc1cc(C)cc(C)c1

CCc1c(C)[nH]c(=O)c(N(C)CCOC)c1Cc1cccc(\C=C\C#N)c1

CCc1c(C)[nH]c(=O)c(NC(N)=S)c1Cc1cccc(C)c1

CCc1c(C)[nH]c(=O)c(NC(=S)Nc2ccccc2)c1Cc1cccc(C)c1

CCc1c(C)[nH]c(=O)c(N(C)CCCC#N)c1Cc1cccc(C)c1

CCc1c(C)[nH]c(=O)c(N(C)CCC#N)c1Cc1cccc(C)c1

CCc1c(C)[nH]c(=O)c(N(C)CC#N)c1Cc1cccc(C)c1

CCC1=C(NC(=O)C(=C1Cc2cccc(c2)C)[N@@](C)CCOC)C

CCc1c(C)[nH]c(=O)c(N(C)CCCO)c1Cc1cccc(C)c1

CCc1c(C)[nH]c(=O)c(c1Cc1cc(C)cc(C)c1)-n1cccc1

CCc1c(C)[nH]c(=O)c(N2CCCCC2)c1Cc1cc(C)cc(C)c1

CCc1c(C)[nH]c(=O)c(NCc2ccccc2)c1Cc1cc(C)cc(C)c1

CCCCN(CCCC)c1c(Cc2cc(C)cc(C)c2)c(CC)c(C)[nH]c1=O

CCCNc1c(Cc2cc(C)cc(C)c2)c(CC)c(C)[nH]c1=O

CCC(=O)Nc1c(Cc2cc(C)cc(C)c2)c(CC)c(C)[nH]c1=O

CCc1c(C)[nH]c(=O)c(NC(C)=O)c1Cc1cc(C)cc(C)c1

CCc1c(C)[nH]c(=O)c(N(C)C(C)COC)c1Cc1cc(C)cc(C)c1

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

CCc1c(C)[nH]c(=O)c(NC)c1Cc1cc(C)cc(C)c1

CCc1c(C)[nH]c(=O)c(N(C)CCCCCO)c1Cc1cccc(C)c1

CCN(C)c1c(Cc2cccc(\C=C\C#N)c2)c(CC)c(C)[nH]c1=O

CCNC(=S)Nc1c(Cc2cccc(C)c2)c(CC)c(C)[nH]c1=O

CCOCCN(C)c1c(Cc2cccc(C)c2)c(CC)c(C)[nH]c1=O

CCc1c(C)[nH]c(=O)c(N(C)CCO)c1Cc1cccc(C)c1

CCc1c(C)[nH]c(=O)c(N2CCOCC2)c1Cc1cc(C)cc(C)c1

CCCCNc1c(Cc2cc(C)cc(C)c2)c(CC)c(C)[nH]c1=O

CCCC(=O)Nc1c(Cc2cc(C)cc(C)c2)c(CC)c(C)[nH]c1=O

CCc1c(C)[nH]c(=O)c(N(C)CCOC)c1Cc1cc(C)cc(C)c1

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

CCc1c(C)[nH]c(=O)c(N(C)CCCSC)c1Cc1cc(C)cc(C)c1

CCNc1c(Cc2cc(C)cc(C)c2)c(CC)c(C)[nH]c1=O

CCc1c(C)[nH]c(=O)c(N(C)CCCCCO)c1Cc1cc(C)cc(C)c1

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

CCc1c(C)[nH]c(=O)c(N(Cc2ccccc2)Cc2ccccc2)c1Cc1cc(C)cc(C)c1

CCc1c(C)[nH]c(=O)c(NNC(=S)Nc2ccccc2)c1Cc1cccc(C)c1

CCNC(=S)NNc1c(Cc2cccc(C)c2)c(CC)c(C)[nH]c1=O

CCC1C(C)NC(=O)C(N(C)CCO)=C1Cc1cccc(C)c1 |c:13|

CN(C)c1c(Cc2cc(C)cc(C)c2)c2CCCCc2[nH]c1=O

CN(C)c1c(Cc2cc(C)cc(C)c2)cc(C)[nH]c1=O

CN(C)c1c(Cc2cc(C)cc(C)c2)cc[nH]c1=O

CC(C)Cc1c(C)[nH]c(=O)c(N(C)C)c1Cc1cc(C)cc(C)c1

CCc1[nH]c(=O)c(N(C)C)c(Cc2cc(C)cc(C)c2)c1C

CN(C)c1c(Cc2cc(C)cc(C)c2)c(C)c(C)[nH]c1=O

CCc1c(C)[nH]c(=O)c(NNC(N)=S)c1Cc1cccc(C)c1

CC(C)c1[nH]c(=O)c(N(C)C)c(Cc2cc(C)cc(C)c2)c1C

CCCc1c(C)[nH]c(=O)c(N(C)C)c1Cc1cc(C)cc(C)c1

CCc1c(C)[nH]c(=O)c(N(C)C)c1Cc1cc(C)cc(C)c1

Brc1ccc(NC(=S)NCCc2ccccn2)nc1

Brc1ccc(cc1)\N=C(/OCCN1C(=O)c2ccccc2C1=O)SS\C(OCCN1C(=O)c2ccccc2C1=O)=N\c1ccc(Br)cc1

CCc1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(O)nc1C

CC(COc1ccccc1)OC(=S)Nc1ccccc1

CC(COc1ccccc1)OC(=S)Nc1ccc(C)cc1

[#6]-[#6]-[#6]-[#6@@H](-[#8]-[#6](-[#6])=O)-[#6]-1=[#6](Br)\[#6](-[#8]-[#6]-1=O)=[#6](\Br)Br |r,c:8|

CCC[C@@H](OC(C)=O)C1=C(Br)\C(OC1=O)=C\I |r,c:8|

CCC[C@@H](O)C1=C(Br)\C(OC1=O)=C\I |r,c:5|

[#6]-[#6]-[#6]-[#6@@H](-[#8])-[#6]-1=[#6](Br)\[#6](-[#8]-[#6]-1=O)=[#6](\Br)Br |r,c:5|

CCC[C@@H](O)C1=C(Br)\C(OC1=O)=C\Cl |r,c:5|

C[C@H](Cn1cnc2c(N)ncnc12)OCP(O)(=O)OP(O)(O)=O |r|

Nc1ncnc2n(cnc12)[C@H]1C[C@H](N=[N+]=[N-])[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 |r|

Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O |r|

c1nc(c2c(n1)n(cn2)[C@H]3CC[C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N

Nc1ncnc2n(cnc12)[C@H]1CC[C@@H](COP(O)(O)=O)O1 |r|

Fc1cccc(F)c1Cn1c2cc(ccc2[nH]c1=O)C(F)(F)F

Cc1cc(C)cc(Cn2c3cc(ccc3[nH]c2=O)C(F)(F)F)c1

Fc1cccc(F)c1Cn1c2cc(Cl)c(F)cc2[nH]c1=O

Cc1cc(C)cc(c1)S(=O)(=O)n1c2cc(Cl)c(F)cc2[nH]c1=O

Cc1cc(C)cc(Cn2c3cc(Cl)c(F)cc3[nH]c2=O)c1

Cc1ccc2[nH]c(=O)n(c2c1)S(=O)(=O)c1cc(F)cc(F)c1

Cc1cc(C)cc(Cn2c3cc(C)ccc3[nH]c2=O)c1

Fc1cc(F)cc(Cn2c3cc(Cl)ccc3[nH]c2=S)c1

Fc1cc(F)cc(c1)S(=O)(=O)n1c2cc(Cl)ccc2[nH]c1=O

Fc1cc(F)cc(Cn2c3cc(Cl)ccc3[nH]c2=O)c1

Cc1cc(C)cc(Cn2c3cc(Cl)ccc3[nH]c2=S)c1

CC(=O)n1c2ccc(Cl)cc2n(Cc2c(F)cccc2F)c1=O

Cc1ccc2[nH]c(=O)n(c2c1)S(=O)(=O)c1cc(C)cc(C)c1

Fc1cc(F)cc(Cn2c3cc(Cl)c(F)cc3[nH]c2=O)c1

Cc1ccc2[nH]c(=O)n(Cc3cc(F)cc(F)c3)c2c1

CC(=O)n1c2ccc(Cl)cc2n(Cc2cc(C)cc(C)c2)c1=O

Cc1ccc2[nH]c(=O)n(c2c1)S(=O)(=O)c1c(F)cccc1F

Cc1ccc2[nH]c(=O)n(Cc3c(F)cccc3F)c2c1

CC(=O)n1c2ccc(Cl)cc2n(Cc2cc(F)cc(F)c2)c1=O

Fc1cccc(F)c1S(=O)(=O)n1c2cc(Cl)ccc2[nH]c1=O

[H][C@@]1(CC[C@@]2(C)[C@]3([H])CC[C@@H](C(C)=C)[C@@]4(CCC(O)=O)C[C@@]34CC[C@]12C)[C@H](C)CC\C=C(\C)C(O)=O |r|

[#6]\[#6](-[#6])=[#6]\[#6]C1([#6](=O)-[#7]-c2ccccc2-[#6]1=O)C([#6])([#6])[#6]=[#6]

[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])nc2ccccc12

COCc1cc2cc(OC)c(OC)cc2c(-c2ccc3OCOc3c2)c1C=O

COc1cc2cc3C(=O)OCc3c(-c3ccc4OCOc4c3)c2cc1OC

Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)|

Oc1ccc(cc1)-c1cc(=O)c2c(O)c(c(O)cc2o1)-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 |(23.42,3.76,;23.41,2.23,;24.74,1.44,;24.74,-.09,;23.4,-.85,;22.07,-.08,;22.07,1.46,;23.39,-2.38,;24.72,-3.16,;24.71,-4.7,;26.05,-5.48,;23.38,-5.46,;23.38,-7,;24.71,-7.78,;22.04,-7.77,;20.71,-7,;19.38,-7.76,;20.72,-5.46,;22.05,-4.69,;22.05,-3.15,;22.04,-9.31,;20.71,-10.08,;19.38,-9.31,;20.71,-11.62,;22.04,-12.4,;22.04,-13.94,;23.37,-11.63,;23.37,-10.07,;24.71,-9.29,;26.06,-10.08,;26.06,-11.63,;24.71,-12.4,;24.71,-13.94,;27.39,-9.32,;28.73,-10.09,;30.06,-9.33,;30.06,-7.78,;31.4,-7.02,;28.72,-7.01,;27.39,-7.78,)|

Oc1ccc(cc1)-c1cc(=O)c2c(O)c(c(O)cc2o1)-c1cc(ccc1O)-c1cc(O)c2c(cc(O)cc2=O)o1 |(14.56,-27.41,;13.23,-26.63,;11.89,-27.39,;10.56,-26.61,;10.57,-25.07,;11.9,-24.31,;13.23,-25.08,;9.25,-24.3,;7.91,-25.06,;6.59,-24.28,;5.25,-25.04,;6.6,-22.75,;5.27,-21.99,;3.93,-22.76,;5.28,-20.46,;6.6,-19.69,;6.6,-18.15,;7.93,-20.45,;7.93,-21.99,;9.26,-22.76,;3.95,-19.69,;2.61,-20.46,;1.28,-19.68,;1.28,-18.14,;2.61,-17.37,;3.95,-18.15,;5.29,-17.38,;-.06,-20.44,;-.06,-22,;-1.41,-22.77,;-1.41,-24.31,;-2.75,-21.99,;-2.75,-20.44,;-4.08,-19.67,;-5.41,-20.45,;-6.75,-19.67,;-5.42,-21.99,;-4.08,-22.76,;-4.08,-24.3,;-1.41,-19.66,)|

Oc1ccc(cc1)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)c(O)c1 |r|

Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)c([C@@H]3[C@H](Oc4cc(O)cc(O)c4C3=O)c3ccc(O)cc3)c2O1 |r|

c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O

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(C)=O |r|

Oc1ccc(cc1)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1c1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccc(O)c(O)c1 |r|

Oc1ccc(cc1)-c1cc(=O)c2c(O)c(Oc3ccc(cc3)-c3cc(O)c4c(cc(O)cc4=O)o3)c(O)cc2o1

Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@H]1O[C@H](CS([O-])(=O)=O)[C@@H](O)[C@H](O)[C@H]1O)COC(=O)CCCCCCC\C=C/CCCCCCCC |r|

CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1O[C@H](CS([O-])(=O)=O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC |r|

CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCC |r|

CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](OC(=O)CCCCCCCCCCCCCCC)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCC |r|

OC[C@@H](O)CO[C@H]1O[C@H](CS([O-])(=O)=O)[C@@H](O)[C@H](O)[C@H]1O |r|

OC[C@@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|

CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@H]1O[C@H](CS([O-])(=O)=O)[C@@H](O)[C@H](O)[C@H]1O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCC |r|

CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@H]1O[C@H](CS([O-])(=O)=O)[C@@H](O)[C@H](OC(=O)CCCCCCCCCCCCCCC)[C@H]1OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCC |r|

CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)COC(=O)CCCCCCC\C=C/CCCCCCCC |r|

CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC |r|

OC[C@@H](O)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O |r|

OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|

[H][C@]12CC[C@H](C)[C@@](C)(CC[C@]3(C)CCC[C@]4([H])C3=CC[C@@H](C)[C@@]4(C)Cc3cc(O)ccc3O)C1=CCCC2(C)C |r,c:37,t:18|

[H][C@]12CC[C@@H](C)[C@](O)(CC[C@]3(C)CCC[C@@](C)(C(=O)Cc4cc(OS([O-])(=O)=O)ccc4OS([O-])(=O)=O)[C@]3([H])CCC(C)=O)[C@@]1(C)CCCC(C)(C)O2 |r|

[H][C@]12CC[C@@H](C)[C@](O)(CC[C@]3(C)CCC[C@@]4(C)C(Cc5cc(O)ccc5O)=C(C)CC[C@]34[H])[C@@]1(C)CCCC(C)(C)O2 |r,t:27|

[H][C@]12CC[C@H](C)[C@@](C)(CC[C@]3(C)CCC[C@]4([H])C3=CC[C@@H](C)[C@@]4(C)Cc3cc(OS([O-])(=O)=O)ccc3OS([O-])(=O)=O)C1=CCCC2(C)C |r,c:45,t:18|

[H][C@]12CC[C@@H](C)[C@](O)(CC[C@]3(C)CCC[C@@]4(C)C(Cc5cc(OS([O-])(=O)=O)ccc5OS([O-])(=O)=O)=C(C)CC[C@]34[H])[C@@]1(C)CCCC(C)(C)O2 |r,t:35|

C[C@@]12CCC(C1CC[C@@]1(C)C2CC2=C1C(=O)C=CC2=O)[C@@]1(C)CCC2O[C@@]3(C)CCCC(C)(C)C3CC[C@@]12C |r,c:14,19|

C[C@@]12CCC(C1CC[C@@]1(C)C2Cc2c1c(O)ccc2O)[C@@]1(C)CCC2O[C@@]3(C)CCCC(C)(C)C3CC[C@@]12C |r|

C[C@@]12CCC(C1CC[C@@]1(C)C2Cc2c1c(OS([O-])(=O)=O)ccc2OS([O-])(=O)=O)[C@@]1(C)CCC2O[C@@]3(C)CCCC(C)(C)C3CC[C@@]12C |r|

Oc1ccc(CC(=C)C(=C)Cc2ccc(O)cc2)cc1

Oc1ccc(CC(=C)C(=C)Cc2ccc3OCOc3c2)c(O)c1

[H][C@@]12CC[C@@]3(C)C4=CC[C@]5(CCC(C)(C)C[C@]5([H])[C@]4(C)CC[C@]3([H])[C@@]1(C)[C@H](O)[C@@H](O)CC2(C)C)C(O)=O |r,t:6|

[H][C@@]12CC[C@@]3(C)C4=CC[C@]5(CCC(C)(C)C[C@]5([H])[C@]4(C)CC[C@]3([H])[C@@]1(C)C[C@H](OC(=O)c1ccc(O)cc1)[C@@H](O)C2(C)C)C(O)=O |r,t:6|

[H][C@@]12CC[C@@]3(C)C4=CC[C@]5(CCC(C)(C)C[C@]5([H])[C@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](OC(=O)\C=C\c1ccc(O)cc1)C2(C)C)C(O)=O |r,t:6|

[H][C@@]12CC[C@@]3(C)C4=CC[C@]5(CCC(C)(C)C[C@]5([H])[C@]4(C)CC[C@]3([H])[C@@]1(C)C[C@@H](O)[C@H](OC(=O)c1ccc(O)cc1)C2(C)C)C(O)=O |r,t:6|

[H][C@@]12CC[C@@]3(C)C4=CC[C@]5(CCC(C)(C)C[C@]5([H])[C@]4(C)CC[C@]3([H])[C@@]1(C)[C@H](O)C[C@H](O)C2(C)C)C(O)=O |r,t:6|

[H][C@@]12CC[C@@]3(C)C4=CC[C@]5(CCC(C)(C)C[C@]5([H])[C@]4(C)CC[C@]3([H])[C@@]1(C)C[C@@H](OC(=O)c1ccc(O)cc1)[C@H](OC(=O)c1ccc(O)cc1)C2(C)C)C(O)=O |r,t:6|

[H][C@@]12CC[C@@]3(C)C4=CC[C@]5(CCC(C)(C)C[C@]5([H])[C@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](OC(=O)c1ccc(O)cc1)C2(C)C)C(O)=O |r,t:6|

CC1(C)CC[C@@]2(CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@H](C[C@@H](O)[C@]5(C)[C@H]4CC[C@@]3(C)[C@H]2C1)OC(=O)c1ccc(O)cc1)C(O)=O |r,t:7|

[H][C@@]12CC[C@@]3(C)C4=CC[C@]5(CCC(C)(C)C[C@]5([H])[C@]4(C)CC[C@]3([H])[C@@]1(C)C[C@@H](OC(=O)c1ccc(O)cc1)[C@H](O)C2(C)C)C(O)=O |r,t:6|

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,)|

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

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

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

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

COc1ccc(OCCC#C)c(CCNC(=S)Nc2ccc(Br)cn2)c1

COc1ccc(OCCCC#C)c(CCNC(=S)Nc2ccc(Br)cn2)c1

COc1ccc(OCCOCC#C)c(CCNC(=S)Nc2ccc(Br)cn2)c1

COC(=O)COc1ccc(OC)cc1CCNC(=S)Nc1ccc(Br)cn1

Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4c(Oc23)c(O)cc(O)c4-c2c(O)cc(O)c3Oc4c(Oc5cc(O)cc(O)c5)c(O)cc(O)c4Oc23)c1 |(-10.35,-9.44,;-9.01,-10.21,;-9.01,-11.75,;-7.67,-12.52,;-7.66,-14.06,;-6.34,-11.75,;-6.35,-10.21,;-5.02,-9.44,;-5.02,-7.9,;-6.35,-7.13,;-7.69,-7.9,;-6.35,-5.59,;-5.03,-4.82,;-5.03,-3.28,;-3.69,-5.58,;-2.35,-4.8,;-1.01,-5.58,;-1.01,-7.12,;-2.36,-7.9,;-3.69,-7.13,;.32,-7.89,;.32,-9.43,;1.65,-7.12,;1.65,-5.58,;2.98,-4.8,;.32,-4.81,;.31,-3.28,;-1.02,-2.52,;-2.35,-3.3,;-1.03,-.98,;.31,-.2,;.3,1.34,;1.64,-.97,;2.97,-.19,;4.31,-.97,;5.64,-.2,;5.63,1.34,;6.97,2.11,;8.3,1.34,;9.63,2.11,;10.97,1.34,;9.63,3.65,;8.28,4.42,;8.27,5.96,;6.96,3.64,;6.97,-.96,;8.3,-.19,;6.98,-2.51,;5.64,-3.28,;5.64,-4.82,;4.31,-2.51,;2.97,-3.28,;1.64,-2.52,;-7.68,-9.44,)|

Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4cc(O)c(c(O)c4Oc23)-c2c(O)cc3Oc4c(O)cc(O)c(Oc5cc(O)cc(O)c5)c4Oc3c2O)c1 |(33.94,-16.93,;32.61,-16.16,;32.6,-14.62,;31.26,-13.85,;31.25,-12.31,;29.93,-14.63,;29.94,-16.16,;28.61,-16.93,;28.61,-18.47,;29.95,-19.24,;31.28,-18.46,;29.95,-20.78,;28.62,-21.55,;28.61,-23.09,;27.28,-20.78,;25.95,-21.55,;24.62,-20.79,;23.29,-21.55,;21.95,-20.79,;20.63,-21.57,;21.95,-19.25,;23.28,-18.47,;23.28,-16.93,;24.62,-19.24,;25.95,-18.46,;27.29,-19.24,;20.61,-18.49,;20.61,-16.94,;21.94,-16.16,;19.27,-16.18,;17.95,-16.94,;16.61,-16.16,;15.27,-16.94,;13.93,-16.18,;13.93,-14.64,;12.61,-16.95,;12.61,-18.49,;11.27,-19.26,;13.94,-19.26,;13.94,-20.8,;12.6,-21.57,;11.28,-20.8,;9.94,-21.57,;8.61,-20.8,;9.94,-23.11,;11.29,-23.88,;11.29,-25.42,;12.61,-23.11,;15.27,-18.49,;16.6,-19.26,;17.94,-18.49,;19.28,-19.26,;19.27,-20.8,;31.28,-16.93,)|

CCCOCCCNC(=S)Nc1cc(OC)c(Cl)cc1OC

Brc1c[nH]nc1NS(=O)(=O)c1cccc2nsnc12

Nc1ccc2c(COc3ccc(Cl)c(Oc4cc(Cl)cc(c4)C#N)c3)n[nH]c2n1

Clc1cc(Oc2cc(OCc3n[nH]c4ncccc34)ccc2Cl)cc(c1)C#N

Clc1cc(Oc2cc(OCc3n[nH]c4cnccc34)ccc2Cl)cc(c1)C#N

Clc1cc(Oc2cc(OCc3n[nH]c4ccncc34)ccc2Cl)cc(c1)C#N

Clc1cc(Oc2cc(OCc3n[nH]c4cccnc34)ccc2Cl)cc(c1)C#N

[H][C@]1(CSc2nc([C@H](C)c3c(F)cccc3F)c(C)c(=O)[nH]2)C[C@]1([H])c1ccc(OC)cc1 |r|

[H][C@@]1(CSc2nc([C@H](C)c3c(F)cccc3F)c(C)c(=O)[nH]2)C[C@@]1([H])c1ccc(OC)cc1 |r|

c1nc2c(nc(nc2n1[C@@H]3C[C@@H](C=C3)CO)N)NC4CC4

Nc1ncnc2n(cnc12)[C@@H]1C[C@](OCP(O)(O)=O)(C=C1)C#C |r,c:21|

Nc1ncnc2n(cnc12)[C@@H]1C[C@@](OCP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C=C)C=C1 |r,c:31|

Fc1cccc(F)c1C1SCC(=O)N1CCC12CC3CC(CC(C3)C1)C2 |TLB:19:20:18.17.23:24,THB:19:18:20.25.21:24,21:20:17:23.22.24,21:22:19.20.25:17|

Clc1cccc(Cl)c1C1SCC(=O)N1CC12CC3CC(CC(C3)C1)C2 |TLB:14:15:18:22.21.20,THB:16:17:20:24.15.23,16:15:18.17.22:20,23:15:18:22.21.20,23:21:18:24.16.15|

Fc1cccc(F)c1C1SCC(=O)N1CC12CC3CC(CC(C3)C1)C2 |TLB:18:19:17.16.22:23,THB:18:17:19.24.20:23,20:19:16:22.21.23,20:21:18.19.24:16|

Clc1cccc(Cl)c1C1SCC(=O)N1CCC12CC3CC(CC(C3)C1)C2 |TLB:19:20:17.18.23:24,THB:19:18:24:25.20.21,21:20:17:23.22.24,21:22:17:25.19.20|

[H][C@]12OC(C)(C)O[C@@]1([H])[C@H](OC)O[C@@H]2COC(=O)c1nnn(Cc2ccccc2)c1C |r|

[H][C@]12O[C@H](COC(=O)c3nnn(Cc4ccccc4)c3C)[C@H](OCc3ccccc3)[C@@]1([H])OC(C)(C)O2 |r|

[H][C@@]1(COC(C)(C)O1)[C@@]1([H])O[C@]2([H])OC(C)(C)O[C@]2([H])[C@H]1OC(=O)c1nnn(Cc2ccccc2)c1C |r|

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCC(N)=O

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(cc12)[N+]([O-])=O)C(=O)NCC(N)=O

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)c(F)c12)C(=O)NCC(N)=O

CC(NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1)C(N)=O

CC(NC(=O)c1[nH]c2ccc(Cl)c(F)c2c1S(=O)(=O)c1cc(C)cc(C)c1)C(N)=O

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCCC(N)=O

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)c(F)c12)C(=O)NCCC(N)=O

CC(CC(N)=O)NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1

CC(CC(N)=O)NC(=O)c1[nH]c2ccc(cc2c1S(=O)(=O)c1cc(C)cc(C)c1)[N+]([O-])=O

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCCS(N)(=O)=O

CC(CS(N)(=O)=O)NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1

CC(CS(N)(=O)=O)NC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)c1cc(C)cc(C)c1

CC(CS(N)(=O)=O)NC(=O)c1[nH]c2ccc(Cl)c(F)c2c1S(=O)(=O)c1cc(C)cc(C)c1

C[C@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1)C(N)=O |r|

C[C@@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1)C(N)=O |r|

C[C@@H](NC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)c1cc(C)cc(C)c1)C(N)=O |r|

C[C@@H](CC(N)=O)NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1 |r|

C[C@H](CC(N)=O)NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1 |r|

CC(NC(=O)c1[nH]c2ccc(cc2c1S(=O)(=O)c1cc(C)cc(C)c1)[N+]([O-])=O)C(N)=O

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Br)cc12)C(=O)NCC(N)=O

CC(NC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)c1cc(C)cc(C)c1)C(N)=O

CC(CC(N)=O)NC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)c1cc(C)cc(C)c1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Br)cc12)C(=O)NCCS(N)(=O)=O

CC(CS(N)(=O)=O)NC(=O)c1[nH]c2ccc(cc2c1S(=O)(=O)c1cc(C)cc(C)c1)[N+]([O-])=O

CC(C)NNC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1

C[C@H](NC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)c1cc(C)cc(C)c1)C(N)=O |r|

CC(CC(N)=O)NC(=O)c1[nH]c2ccc(Cl)c(F)c2c1S(=O)(=O)c1cc(C)cc(C)c1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(cc12)[N+]([O-])=O)C(=O)NCCC(N)=O

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(N)=O

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(cc12)[N+]([O-])=O)C(=O)NCCS(N)(=O)=O

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)c(F)c12)C(N)=O

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Br)cc12)C(=O)NCCC(N)=O

Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 |r|

Nc1ncnc2n(CCOCP(O)(=O)OP(O)(=O)OP(O)(O)=O)cnc12

BP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc12)OP(O)(=O)OP(O)(O)=O |r|

BP(=O)(COCCn1cnc2c(N)ncnc12)OP(O)(=O)OP(O)(O)=O

CC(C)=CN1CCn2c3c(C1)c(Cl)ccc3[nH]c2=S |(.7,-4.09,;-.29,-2.91,;-1.81,-3.18,;.23,-1.46,;-.76,-.29,;-.13,1.12,;-.84,2.49,;-2.35,2.79,;-3.53,1.8,;-3.48,.26,;-2.25,-.67,;-4.93,-.47,;-5.01,-2.01,;-6.24,.35,;-6.19,1.88,;-4.83,2.61,;-4.46,4.11,;-2.93,4.22,;-2.12,5.52,)|

CCC1Cn2c3c(CN1C(C)=C)cccc3[nH]c2=O

CC(C)C1Cn2c3c(CN1C=C(C)C)cccc3[nH]c2=O |(8.93,-6.11,;8.12,-4.8,;8.85,-3.45,;6.58,-4.84,;5.88,-3.47,;4.37,-3.17,;3.19,-4.16,;3.23,-5.7,;4.46,-6.63,;5.95,-6.25,;6.94,-7.42,;6.42,-8.87,;4.9,-9.14,;7.41,-10.05,;1.78,-6.43,;.47,-5.62,;.52,-4.08,;1.88,-3.35,;2.25,-1.86,;3.79,-1.74,;4.6,-.44,)|

CC(=C)N1Cc2cccc3[nH]c(=O)n(CC1(C)C)c23

CC1CN(Cc2cccc3[nH]c(=O)n1c23)C(C)=C

CC1CN(CC2CC2)Cc2cc(Cl)cc3[nH]c(=S)n1c23

CCCN1CC(C(C)C)n2c3c(C1)cccc3[nH]c2=O

CCCC1CN(CCC)Cc2cccc3[nH]c(=O)n1c23

CCCN1CCn2c3c(cccc3[nH]c2=O)C1C

CC1N(CCn2c3c1cc(Cl)cc3[nH]c2=O)C=C(C)C |(4.06,-2.24,;4.36,-.73,;5.85,-.34,;6.48,1.06,;5.78,2.43,;4.27,2.73,;3.09,1.74,;3.13,.2,;1.68,-.53,;.38,.29,;-.98,-.44,;.43,1.83,;1.78,2.55,;2.15,4.05,;3.69,4.16,;4.5,5.47,;6.85,-1.52,;6.32,-2.97,;7.32,-4.15,;4.81,-3.24,)|

CCCN1CCn2c3c(cccc3[nH]c2=S)C1C

CC1N(CCn2c3c1cccc3[nH]c2=S)C=C(C)C |(-2.3,-8.18,;-2,-6.67,;-.51,-6.29,;.12,-4.88,;-.58,-3.51,;-2.09,-3.21,;-3.27,-4.2,;-3.23,-5.74,;-4.68,-6.47,;-5.99,-5.66,;-5.94,-4.12,;-4.58,-3.39,;-4.21,-1.89,;-2.67,-1.78,;-1.86,-.48,;.48,-7.46,;-.04,-8.91,;.95,-10.09,;-1.56,-9.18,)|

CC1N(CCn2c3c1cc(Cl)cc3[nH]c2=S)C=C(C)C |(12.28,-7.89,;12.58,-6.38,;14.08,-6,;14.71,-4.59,;14,-3.22,;12.49,-2.92,;11.31,-3.92,;11.35,-5.45,;9.9,-6.18,;8.6,-5.37,;7.24,-6.09,;8.65,-3.83,;10,-3.1,;10.37,-1.61,;11.91,-1.5,;12.72,-.19,;15.07,-7.18,;14.54,-8.62,;15.54,-9.8,;13.03,-8.9,)|

C[C@@H]1[C@H](C)n2c3c(CN1C=C(C)C)cccc3[nH]c2=O |r,wU:2.2,1.0,(3.01,.41,;1.78,.41,;1.09,1.81,;1.84,2.78,;-.42,2.14,;-1.67,1.15,;-1.67,-.41,;-.42,-1.34,;1.09,-.99,;2.03,-2.21,;1.45,-3.63,;2.21,-4.6,;.24,-3.8,;-3.03,-1.15,;-4.36,-.38,;-4.36,1.15,;-3.03,1.96,;-3.04,3.51,;-.74,3.66,;.01,4.64,)|

C[C@@H]1[C@H](C)n2c3c(CN1C=C(C)C)cccc3[nH]c2=S |r,wU:2.2,1.0,(4.21,-4.79,;2.67,-4.79,;2,-3.4,;2.96,-2.19,;.5,-3.05,;-.7,-4.02,;-.7,-5.56,;.5,-6.52,;2,-6.17,;2.96,-7.38,;4.5,-7.38,;5.27,-8.71,;5.27,-6.04,;-2.04,-6.33,;-3.37,-5.56,;-3.37,-4.02,;-2.04,-3.25,;-1.71,-1.74,;-.18,-1.58,;.58,-.24,)|

CCCN1Cc2cc(Cl)cc3[nH]c(=S)n(C(=O)C1C)c23

C[C@H]1Cn2c3c(cccc3[nH]c2=S)[C@H](C)N1C=C(C)C |r,wU:13.15,wD:1.0,(11.2,-33.99,;9.66,-33.99,;8.99,-32.6,;7.49,-32.26,;6.28,-33.22,;6.28,-34.76,;4.95,-35.53,;3.62,-34.76,;3.62,-33.22,;4.95,-32.45,;5.41,-30.89,;6.95,-30.82,;7.79,-29.53,;7.49,-35.72,;7.15,-37.22,;8.99,-35.38,;9.95,-36.58,;11.47,-36.35,;12.43,-37.56,;12.03,-34.92,)|

C[C@@H]1Cn2c3c(cc(Cl)cc3[nH]c2=O)[C@@H](C)N1C=C(C)C |r,wU:1.0,wD:14.16,(11.2,-33.99,;9.66,-33.99,;8.99,-32.6,;7.49,-32.26,;6.28,-33.22,;6.28,-34.76,;4.95,-35.53,;3.62,-34.76,;2.28,-35.53,;3.62,-33.22,;4.95,-32.45,;5.41,-30.89,;6.95,-30.82,;7.79,-29.53,;7.49,-35.72,;7.15,-37.22,;8.99,-35.38,;9.95,-36.58,;11.47,-36.35,;12.43,-37.56,;12.03,-34.92,)|

C[C@@H]1Cn2c3c(cc(Cl)cc3[nH]c2=S)[C@@H](C)N1C=C(C)C |r,wU:1.0,wD:14.16,(3.01,.41,;1.78,.41,;1.09,1.81,;-.42,2.14,;-1.67,1.15,;-1.67,-.41,;-3.03,-1.15,;-4.36,-.38,;-5.43,-.99,;-4.36,1.15,;-3.03,1.96,;-3.04,3.51,;-.74,3.67,;.01,4.65,;-.42,-1.34,;-.67,-2.54,;1.09,-.99,;2.04,-2.2,;3.56,-1.99,;4.32,-2.95,;4.02,-.85,)|

C[C@H]1Cn2c3c(cc(Cl)cc3[nH]c2=O)[C@H](C)N1C=C(C)C |r,wU:14.16,wD:1.0,(11.2,-33.99,;9.66,-33.99,;8.99,-32.6,;7.49,-32.26,;6.28,-33.22,;6.28,-34.76,;4.95,-35.53,;3.62,-34.76,;2.28,-35.53,;3.62,-33.22,;4.95,-32.45,;5.41,-30.89,;6.95,-30.82,;7.79,-29.53,;7.49,-35.72,;7.15,-37.22,;8.99,-35.38,;9.95,-36.58,;11.47,-36.35,;12.43,-37.56,;12.03,-34.92,)|

C[C@H]1Cn2c3c(CN1C=C(C)C)c(Cl)ccc3[nH]c2=S |r,wD:1.0,(-.34,-8.5,;-1.88,-8.51,;-2.55,-7.13,;-4.05,-6.81,;-5.24,-7.78,;-5.24,-9.31,;-4.03,-10.26,;-2.53,-9.9,;-1.55,-11.09,;-.03,-10.84,;.95,-12.03,;.52,-9.4,;-6.57,-10.08,;-6.57,-11.62,;-7.9,-9.32,;-7.9,-7.78,;-6.58,-7.01,;-6.25,-5.5,;-4.72,-5.34,;-3.96,-4,)|

C[C@H]1Cn2c3c(CN1C=C(C)C)cc(Cl)cc3[nH]c2=O |r,wD:1.0,(12.88,-8.8,;11.34,-8.82,;10.67,-7.44,;9.17,-7.11,;7.98,-8.09,;7.98,-9.61,;9.19,-10.56,;10.69,-10.2,;11.67,-11.39,;13.19,-11.14,;14.17,-12.33,;13.74,-9.7,;6.65,-10.38,;5.32,-9.62,;3.99,-10.39,;5.32,-8.08,;6.65,-7.31,;6.97,-5.81,;8.5,-5.65,;9.26,-4.31,)|

C[C@H]1Cn2c3c(CN1CC1CC1)cc(Cl)cc3[nH]c2=S |r|

CCCN1Cc2cccc3[nH]c(=O)n(CC1C)c23

CC1Cn2c3c(CN1C(C)=C)cccc3[nH]c2=O

C[C@H]1Cn2c3c(CN1C=C(C)C)cccc3[nH]c2=O |r,wD:1.0,(21.86,-30.02,;20.32,-30.03,;19.66,-28.65,;18.16,-28.33,;16.96,-29.3,;16.97,-30.83,;18.18,-31.78,;19.68,-31.42,;20.66,-32.61,;22.18,-32.36,;23.15,-33.55,;22.72,-30.92,;15.63,-31.6,;14.31,-30.84,;14.31,-29.3,;15.63,-28.53,;15.95,-27.02,;17.48,-26.86,;18.25,-25.52,)|

CC(=C)N1CCn2c3c(C1)cccc3[nH]c2=O

CCCN1CCn2c3c(C1)cccc3[nH]c2=O

C[C@H]1Cn2c3c(CN1C=C(C)C)cccc3[nH]c2=S |r,wD:1.0,(-1,.73,;-2.55,.72,;-3.21,2.1,;-4.71,2.43,;-5.91,1.45,;-5.9,-.08,;-4.69,-1.03,;-3.19,-.66,;-2.21,-1.85,;-.69,-1.6,;-.15,-.16,;.29,-2.8,;-7.23,-.85,;-8.56,-.08,;-8.56,1.46,;-7.24,2.23,;-6.91,3.73,;-5.38,3.89,;-4.62,5.23,)|

C[C@H]1Cn2c3c(CN1CC=C)cccc3[nH]c2=O |r|

C[C@H]1Cn2c3c(CN1C=C(C)C)c(Br)ccc3[nH]c2=O |r,wD:1.0,(13.01,-7.58,;11.47,-7.59,;10.8,-6.21,;9.3,-5.88,;8.11,-6.86,;8.12,-8.39,;9.33,-9.33,;10.83,-8.97,;11.8,-10.16,;13.33,-9.91,;14.3,-11.1,;13.87,-8.47,;6.78,-9.15,;6.78,-10.7,;5.45,-8.39,;5.46,-6.85,;6.78,-6.08,;7.1,-4.58,;8.63,-4.42,;9.4,-3.08,)|

C[C@H]1Cn2c3c(CN1C=C(C)C)c(Br)ccc3[nH]c2=S |r,wD:1.0,(25.78,-8.04,;24.24,-8.05,;23.58,-6.67,;22.08,-6.35,;20.88,-7.32,;20.89,-8.85,;22.1,-9.8,;23.6,-9.44,;24.58,-10.63,;26.1,-10.38,;26.64,-8.93,;27.07,-11.57,;19.55,-9.62,;19.56,-11.16,;18.23,-8.86,;18.23,-7.32,;19.55,-6.55,;19.87,-5.04,;21.4,-4.88,;22.17,-3.54,)|

COc1ccc2[nH]c(=S)n3C[C@H](C)N(Cc1c23)C=C(C)C |r,wD:11.11,(5.55,-20.75,;6.88,-19.97,;6.88,-18.43,;5.55,-17.67,;5.56,-16.13,;6.88,-15.36,;7.2,-13.86,;8.73,-13.69,;9.5,-12.36,;9.4,-15.16,;10.9,-15.49,;11.57,-16.87,;13.11,-16.85,;10.93,-18.25,;9.43,-18.61,;8.22,-17.66,;8.21,-16.13,;11.9,-19.44,;13.42,-19.19,;13.97,-17.75,;14.4,-20.38,)|

C[C@H]1Cn2c3c(CN1C=C(C)C)c(ccc3[nH]c2=O)C#N |r,wD:1.0,(-.83,-25.25,;-2.37,-25.26,;-3.04,-23.88,;-4.54,-23.55,;-5.73,-24.53,;-5.73,-26.06,;-4.52,-27,;-3.02,-26.64,;-2.04,-27.83,;-.52,-27.58,;.46,-28.78,;.02,-26.14,;-7.06,-26.83,;-8.39,-26.06,;-8.39,-24.52,;-7.07,-23.75,;-6.74,-22.25,;-5.21,-22.09,;-4.45,-20.75,;-7.06,-28.38,;-7.05,-29.92,)|

C[C@H]1Cn2c3c(CN1C=C(C)C)c(ccc3[nH]c2=S)C#N |r,wD:1.0,(12.05,-25.82,;10.51,-25.83,;9.84,-24.45,;8.35,-24.13,;7.15,-25.1,;7.16,-26.63,;8.37,-27.58,;9.87,-27.22,;10.85,-28.41,;12.37,-28.16,;12.91,-26.72,;13.34,-29.35,;5.82,-27.4,;4.5,-26.64,;4.5,-25.1,;5.82,-24.33,;6.14,-22.82,;7.67,-22.66,;8.44,-21.32,;5.83,-28.94,;5.83,-30.48,)|

C[C@H]1Cn2c3c(CN1C=C(C)C)c(C)ccc3[nH]c2=O |r,wD:1.0,(24.95,-26.18,;23.4,-26.19,;22.74,-24.81,;21.24,-24.49,;20.04,-25.46,;20.05,-26.99,;21.26,-27.94,;22.76,-27.58,;23.74,-28.77,;25.26,-28.52,;26.24,-29.71,;25.8,-27.08,;18.72,-27.76,;18.72,-29.31,;17.39,-27,;17.39,-25.46,;18.71,-24.69,;19.04,-23.18,;20.57,-23.02,;21.33,-21.68,)|

COc1ccc2CN(C=C(C)C)[C@@H](C)Cn3c2c1[nH]c3=O |r,wD:12.12,(.37,-32.84,;.37,-34.38,;1.71,-35.15,;1.71,-36.69,;3.04,-37.46,;4.37,-36.69,;5.58,-37.63,;7.08,-37.27,;8.06,-38.46,;9.58,-38.21,;10.56,-39.41,;10.12,-36.77,;7.72,-35.89,;9.27,-35.88,;7.06,-34.51,;5.56,-34.18,;4.36,-35.16,;3.03,-34.38,;3.36,-32.88,;4.89,-32.72,;5.65,-31.38,)|

C[C@H]1Cn2c3c(CN1C=C(C)C)c(I)ccc3[nH]c2=O |r,wD:1.0,(-1.88,-44.55,;-3.42,-44.56,;-4.09,-43.18,;-5.59,-42.86,;-6.79,-43.83,;-6.78,-45.36,;-5.57,-46.31,;-4.07,-45.95,;-3.09,-47.14,;-1.57,-46.89,;-.59,-48.08,;-1.03,-45.45,;-8.11,-46.13,;-8.11,-47.67,;-9.44,-45.37,;-9.44,-43.83,;-8.12,-43.06,;-7.79,-41.55,;-6.26,-41.39,;-5.5,-40.05,)|

C[C@H]1Cn2c3c(CN1C=C(C)C)c(I)ccc3[nH]c2=S |r,wD:1.0,(9.96,-44.83,;8.42,-44.85,;7.75,-43.47,;6.25,-43.14,;5.06,-44.12,;5.06,-45.64,;6.27,-46.59,;7.77,-46.23,;8.75,-47.42,;10.27,-47.17,;10.82,-45.73,;11.25,-48.36,;3.73,-46.41,;3.73,-47.96,;2.4,-45.65,;2.4,-44.11,;3.73,-43.34,;4.05,-41.84,;5.58,-41.68,;6.34,-40.34,)|

CSc1ccc2[nH]c(=S)n3C[C@H](C)N(Cc1c23)C=C(C)C |r,wD:11.11,(-8.71,-4.19,;-7.37,-3.41,;-7.37,-1.87,;-8.7,-1.11,;-8.7,.43,;-7.38,1.2,;-7.05,2.7,;-5.52,2.86,;-4.76,4.2,;-4.85,1.4,;-3.35,1.07,;-2.68,-.31,;-1.14,-.29,;-3.33,-1.69,;-4.83,-2.05,;-6.04,-1.1,;-6.05,.43,;-2.35,-2.88,;-.83,-2.63,;-.29,-1.19,;.15,-3.82,)|

C[C@H]1Cn2c3c(CN1CC1CC1)cc(cc3[nH]c2=O)[N+]([O-])=O |r|

C[C@H]1Cn2c3c(CN1CC1CC1)c(N)ccc3[nH]c2=O |r|

C[C@H]1Cn2c3c(CN1CC1CC1)c(ccc3[nH]c2=O)N(C)C |r|

C[C@H]1Cn2c3c(CN1CC1CC1)cc(cc3[nH]c2=S)[N+]([O-])=O |r|

C[C@H]1Cn2c3c(CN1C=C(C)C)cc(F)cc3[nH]c2=S |r,wD:1.0,(.81,-36.54,;-.73,-36.55,;-1.4,-35.17,;-2.9,-34.85,;-4.09,-35.82,;-4.08,-37.35,;-2.88,-38.3,;-1.37,-37.94,;-.4,-39.13,;1.12,-38.88,;1.67,-37.44,;2.1,-40.07,;-5.42,-38.12,;-6.75,-37.36,;-8.08,-38.13,;-6.74,-35.82,;-5.42,-35.05,;-5.1,-33.54,;-3.57,-33.38,;-2.81,-32.04,)|

CCCC1CN(Cc2cccc3[nH]c(=O)n1c23)C(C)=C

C[C@H]1[C@H](C)n2c3c(CN1CC1CC1)cccc3[nH]c2=S |r|

Clc1cc2C3CCCCN3CCn3c2c(c1)[nH]c3=S

C[C@H]1Cn2c3c(CN1C=C(C)C)c(C)ccc3[nH]c2=S |r,wD:1.0,(-.82,-16.22,;-2.37,-16.23,;-3.03,-14.85,;-4.53,-14.52,;-5.73,-15.5,;-5.72,-17.03,;-4.51,-17.97,;-3.01,-17.61,;-2.03,-18.8,;-.51,-18.55,;.03,-17.11,;.47,-19.74,;-7.05,-17.79,;-7.05,-19.34,;-8.38,-17.03,;-8.38,-15.49,;-7.06,-14.72,;-6.73,-13.22,;-5.2,-13.06,;-4.44,-11.72,)|

C[C@H]1Cn2c3c(CN1C=C(C)C)c(C=O)ccc3[nH]c2=S |r,wD:1.0,(31.47,-34.51,;29.93,-34.52,;29.26,-33.14,;27.76,-32.81,;26.57,-33.79,;26.58,-35.32,;27.79,-36.27,;29.29,-35.9,;30.26,-37.09,;31.79,-36.84,;32.33,-35.4,;32.76,-38.04,;25.24,-36.09,;25.24,-37.63,;23.91,-38.4,;23.91,-35.32,;23.92,-33.78,;25.24,-33.01,;25.56,-31.51,;27.09,-31.35,;27.86,-30.01,)|

C[C@H]1Cn2c3c(CN1C=C(C)C)c(ccc3[nH]c2=O)C(N)=O |r,wD:1.0,(24.74,.64,;23.2,.63,;22.53,2.01,;21.03,2.33,;19.83,1.36,;19.84,-.17,;21.05,-1.12,;22.55,-.76,;23.53,-1.95,;25.05,-1.7,;26.03,-2.89,;25.59,-.25,;18.51,-.94,;17.18,-.18,;17.18,1.36,;18.5,2.13,;18.83,3.64,;20.36,3.8,;21.12,5.14,;18.51,-2.48,;17.17,-3.25,;19.84,-3.25,)|

C[C@H]1Cn2c3c(CN1CC1CC1)cc(cc3[nH]c2=O)N(C)C |r|

CC(C)C1Cn2c3c(CN1C(C)=C)cccc3[nH]c2=O

CC1CN(Cc2cc(Cl)cc3[nH]c(=S)n1c23)C(C)=C

CC1N(CCn2c3c1c(Cl)ccc3[nH]c2=O)C=C(C)C |(-2.84,-2.77,;-2.54,-1.26,;-1.05,-.88,;-.42,.53,;-1.13,1.9,;-2.64,2.2,;-3.81,1.21,;-3.77,-.33,;-5.22,-1.06,;-5.29,-2.6,;-6.53,-.24,;-6.48,1.29,;-5.12,2.02,;-4.75,3.52,;-3.22,3.63,;-2.4,4.93,;-.06,-2.05,;-.58,-3.5,;.41,-4.68,;-2.1,-3.77,)|

CC1N(CCn2c3c1c(Cl)ccc3[nH]c2=S)C=C(C)C |(4.85,-7.97,;5.15,-6.46,;6.64,-6.08,;7.27,-4.67,;6.57,-3.31,;5.06,-3,;3.88,-4,;3.92,-5.54,;2.47,-6.26,;2.4,-7.8,;1.16,-5.45,;1.21,-3.91,;2.57,-3.18,;2.94,-1.69,;4.48,-1.58,;5.29,-.27,;7.63,-7.26,;7.11,-8.71,;8.1,-9.88,;5.6,-8.98,)|

C[C@H]1[C@H](C)n2c3c(CN1C=C(C)C)cccc3[nH]c2=S |r,wU:2.2,wD:1.0,(4.21,-4.79,;2.67,-4.79,;2,-3.4,;2.96,-2.19,;.5,-3.05,;-.7,-4.02,;-.7,-5.56,;.5,-6.52,;2,-6.17,;2.96,-7.38,;4.5,-7.38,;5.27,-8.71,;5.27,-6.04,;-2.04,-6.33,;-3.37,-5.56,;-3.37,-4.02,;-2.04,-3.25,;-1.71,-1.74,;-.18,-1.58,;.58,-.24,)|

C[C@H]1Cn2c3c(cccc3[nH]c2=S)[C@@H](C)N1C=C(C)C |r,wD:1.0,13.15,(11.2,-33.99,;9.66,-33.99,;8.99,-32.6,;7.49,-32.26,;6.28,-33.22,;6.28,-34.76,;4.95,-35.53,;3.62,-34.76,;3.62,-33.22,;4.95,-32.45,;5.41,-30.89,;6.95,-30.82,;7.79,-29.53,;7.49,-35.72,;7.15,-37.22,;8.99,-35.38,;9.95,-36.58,;11.47,-36.35,;12.43,-37.56,;12.03,-34.92,)|

C[C@H]1CN(C=C(C)C)[C@H](C)c2cccc3[nH]c(=S)n1c23 |r,wU:1.0,wD:8.8,(1.84,2.78,;1.09,1.81,;1.78,.41,;1.09,-.99,;2.04,-2.2,;3.56,-1.98,;4.32,-2.95,;4.01,-.84,;-.42,-1.34,;-.67,-2.54,;-1.67,-.41,;-3.03,-1.15,;-4.36,-.38,;-4.36,1.15,;-3.03,1.96,;-3.04,3.51,;-.74,3.66,;.01,4.64,;-.42,2.14,;-1.67,1.15,)|

C[C@H]1Cn2c3c(CN1C=C(C)C)cc(Cl)cc3[nH]c2=S |r,wD:1.0,(27.41,-8.45,;25.87,-8.47,;25.2,-7.09,;23.7,-6.76,;22.51,-7.73,;22.51,-9.26,;23.72,-10.21,;25.22,-9.85,;26.2,-11.04,;27.72,-10.79,;28.7,-11.98,;28.26,-9.35,;21.18,-10.03,;19.85,-9.27,;18.51,-10.04,;19.85,-7.73,;21.17,-6.96,;21.5,-5.46,;23.03,-5.29,;23.79,-3.96,)|

CCCN1Cc2cccc3[nH]c(=S)n(CC1C)c23

CC(C)=CN1CCn2c3c(C1)cccc3[nH]c2=O |(2.52,-18.09,;1.53,-19.26,;2.06,-20.71,;.02,-18.99,;-.98,-20.17,;-.35,-21.58,;-1.05,-22.95,;-2.56,-23.25,;-3.74,-22.25,;-3.7,-20.71,;-2.47,-19.79,;-5.15,-19.99,;-6.46,-20.8,;-6.41,-22.34,;-5.05,-23.07,;-4.68,-24.56,;-3.14,-24.67,;-2.33,-25.98,)|

CCC(=C)N1CCn2c3c(C1)cccc3[nH]c2=O

C[C@H]1Cn2c3c(CN1C=C(C)C)c(F)ccc3[nH]c2=S |r,wD:1.0,(-.48,-7.49,;-2.02,-7.5,;-2.69,-6.12,;-4.19,-5.79,;-5.38,-6.77,;-5.38,-8.3,;-4.17,-9.25,;-2.67,-8.88,;-1.69,-10.08,;-.17,-9.83,;.38,-8.38,;.81,-11.02,;-6.71,-9.07,;-6.71,-10.61,;-8.04,-8.3,;-8.04,-6.77,;-6.72,-5.99,;-6.39,-4.49,;-4.86,-4.33,;-4.1,-2.99,)|

C[C@H]1Cn2c3c(CN1C=C(C)C)cc(Cl)c(Cl)c3[nH]c2=S |r,wD:1.0,(26.35,-17.35,;24.81,-17.36,;24.15,-15.98,;22.65,-15.66,;21.45,-16.63,;21.46,-18.16,;22.67,-19.11,;24.17,-18.75,;25.15,-19.94,;26.67,-19.69,;27.21,-18.25,;27.64,-20.88,;20.12,-18.93,;18.8,-18.17,;17.46,-18.94,;18.8,-16.63,;17.46,-15.86,;20.12,-15.86,;20.44,-14.35,;21.97,-14.19,;22.74,-12.85,)|

COc1ccc2CN(C=C(C)C)[C@@H](C)Cn3c2c1[nH]c3=S |r,wD:12.12,(-10.25,-32.6,;-10.25,-34.14,;-8.91,-34.91,;-8.91,-36.45,;-7.58,-37.21,;-6.25,-36.44,;-5.04,-37.39,;-3.54,-37.03,;-2.56,-38.22,;-1.04,-37.97,;-.5,-36.53,;-.06,-39.16,;-2.9,-35.64,;-1.35,-35.63,;-3.56,-34.26,;-5.06,-33.94,;-6.26,-34.91,;-7.59,-34.14,;-7.26,-32.63,;-5.73,-32.47,;-4.97,-31.13,)|

CC(C)=CN1CCn2c3c(C1)cc(Cl)cc3[nH]c2=S |(8.56,-4.14,;7.57,-2.96,;6.05,-3.23,;8.09,-1.51,;7.1,-.34,;7.73,1.07,;7.02,2.44,;5.51,2.74,;4.33,1.75,;4.38,.21,;5.61,-.72,;2.93,-.52,;1.62,.3,;.26,-.43,;1.67,1.83,;3.03,2.56,;3.4,4.06,;4.93,4.17,;5.75,5.47,)|

C[C@H]1Cn2c3c(CN1C(C)=C)cccc3[nH]c2=S |r|

[H][C@@]12C\C(CN1Cc1cc(Cl)cc3[nH]c(=S)n(C2)c13)=C\C |r|

CC1Cn2c3c(CN1C=C(C)C)cccc3[nH]c2=S |(7.87,-16.1,;6.33,-16.15,;5.62,-14.78,;4.11,-14.48,;2.93,-15.47,;2.97,-17.01,;4.2,-17.93,;5.7,-17.55,;6.69,-18.73,;6.16,-20.18,;7.16,-21.35,;4.65,-20.45,;1.52,-17.73,;.22,-16.92,;.27,-15.38,;1.62,-14.66,;1.99,-13.16,;3.53,-13.05,;4.34,-11.74,)|

CC(C)C1CN(Cc2cccc3[nH]c(=O)n1c23)C(C)=C

CCOc1ccc2[nH]c(=S)n3C[C@H](C)N(Cc1c23)C=C(C)C |r,wD:12.12,(3.74,-4.81,;3.74,-3.27,;5.08,-2.5,;5.08,-.95,;3.75,-.19,;3.75,1.35,;5.07,2.12,;5.4,3.62,;6.93,3.78,;7.69,5.12,;7.6,2.32,;9.1,1.99,;9.77,.61,;11.31,.62,;9.12,-.77,;7.62,-1.13,;6.41,-.19,;6.4,1.34,;10.1,-1.96,;11.62,-1.71,;12.16,-.27,;12.6,-2.91,)|

CC1N(CCn2c3c1cccc3[nH]c2=O)C=C(C)C |(11.98,-24.89,;12.28,-23.38,;13.77,-22.99,;14.4,-21.59,;13.69,-20.22,;12.18,-19.92,;11.01,-20.91,;11.05,-22.45,;9.6,-23.18,;8.29,-22.36,;8.34,-20.82,;9.7,-20.1,;10.07,-18.6,;11.6,-18.49,;12.42,-17.18,;14.76,-24.17,;14.24,-25.62,;15.23,-26.8,;12.72,-25.89,)|

S=c1[nH]c2cccc3CN(CC4CC4)C(Cc4ccccc4)C(Cc4ccccc4)n1c23

C[C@H]1Cn2c3c(CN1CC1CC1)cccc3[nH]c2=S |r|

CCCCN1Cc2cccc3[nH]c(=O)n(C[C@@H]1C)c23 |r|

C[C@H]1Cn2c3c(CN1C=C(C)C)ccc(Br)c3[nH]c2=S |r,wD:1.0,(19.29,-35.43,;17.75,-35.44,;17.09,-34.06,;15.59,-33.74,;14.39,-34.71,;14.4,-36.24,;15.61,-37.19,;17.11,-36.83,;18.09,-38.02,;19.61,-37.77,;20.15,-36.33,;20.59,-38.96,;13.06,-37.01,;11.74,-36.25,;11.74,-34.71,;10.4,-33.94,;13.06,-33.94,;13.38,-32.43,;14.91,-32.27,;15.68,-30.93,)|

C[C@H]1Cn2c3c(CN1C=C(C)C)c(ccc3[nH]c2=S)C#C |r,wD:1.0,(30.72,-44.63,;29.18,-44.64,;28.51,-43.26,;27.01,-42.94,;25.82,-43.91,;25.83,-45.44,;27.04,-46.39,;28.54,-46.03,;29.51,-47.22,;31.03,-46.97,;31.58,-45.53,;32.01,-48.16,;24.49,-46.21,;23.16,-45.45,;23.17,-43.91,;24.49,-43.14,;24.81,-41.63,;26.34,-41.47,;27.11,-40.13,;24.49,-47.75,;24.48,-49.29,)|

C[C@H]1Cn2c3c(CN1CC1CC1)cc(N)cc3[nH]c2=O |r|

C[C@H]1Cn2c3c(CN1C=C(C)C)c(ccc3[nH]c2=O)C#C |r,wD:1.0,(20.86,-45.32,;19.32,-45.33,;18.65,-43.95,;17.15,-43.62,;15.96,-44.6,;15.96,-46.13,;17.17,-47.08,;18.67,-46.71,;19.65,-47.9,;21.17,-47.65,;22.15,-48.85,;21.72,-46.21,;14.63,-46.9,;13.3,-46.13,;13.3,-44.59,;14.62,-43.82,;14.95,-42.32,;16.48,-42.16,;17.24,-40.82,;14.63,-48.44,;14.62,-49.97,)|

Nc1cccc(c1C#N)S(=O)(=O)c1cc(Cl)cc(Cl)c1

COc1ccccc1S(=O)(=O)c1cccc(N)c1C#N

Nc1cccc(c1C#N)S(=O)(=O)c1ccccc1

COc1cc(cc(c1)C(F)(F)F)[S+]([O-])c1cccc(N)c1C#N

Cc1cc(C)cc(c1)[S+]([O-])c1cccc(N)c1C#N

Nc1cccc([S+]([O-])c2ccccc2C#N)c1C#N

Nc1cccc([S+]([O-])c2cccc(Br)c2)c1C#N

COc1cccc(c1)[S+]([O-])c1cccc(N)c1C#N

COc1ccccc1[S+]([O-])c1cccc(N)c1C#N

COc1cc(Sc2cccc(N)c2C#N)cc(c1)C(F)(F)F

Cc1cc(Cl)cc(Sc2cccc(N)c2C#N)c1

Nc1cccc(Sc2cc(Cl)cc(Cl)c2)c1C#N

Cc1cc(C)cc(Sc2cccc(N)c2C#N)c1

Nc1cccc(Sc2cccc(c2)C#N)c1C#N

Nc1cccc(Sc2ccccc2C#N)c1C#N

Nc1cccc(Sc2cccc(Br)c2)c1C#N

Nc1cccc(Sc2ccccc2Cl)c1C#N

Cc1ccc(Sc2cccc(N)c2C#N)cc1

Cc1cccc(Sc2cccc(N)c2C#N)c1

COc1ccccc1Sc1cccc(N)c1C#N

Nc1cccc(Sc2ccc(Cl)cc2)c1C#N

COc1cc(cc(c1)S(=O)(=O)c1cccc(N)c1C#N)C(F)(F)F

Cc1cc(Cl)cc(c1)S(=O)(=O)c1cccc(N)c1C#N

Cc1cc(cc(c1)S(=O)(=O)c2cccc(c2C#N)N)C

Nc1cccc(c1C#N)S(=O)(=O)c1cccc(Br)c1

Nc1cccc(c1C#N)S(=O)(=O)c1cccc(Cl)c1

Nc1cccc(c1C#N)S(=O)(=O)c1ccccc1Cl

COc1cccc(c1)S(=O)(=O)c1cccc(N)c1C#N

Cc1cc(Br)cc(c1)S(=O)(=O)c1cccc(N)c1C#N

Nc1cccc(c1C#N)S(=O)(=O)c1cccc(c1)C(F)(F)F

Nc1cccc(c1C#N)S(=O)(=O)c1ccccc1Br

Cc1ccc(cc1)S(=O)(=O)c1cccc(N)c1C#N

CCCCOc1cc(C)cc(c1)S(=O)(=O)c1cccc(N)c1C#N

Nc1cccc(c1C#N)S(=O)(=O)c1ccccc1C#N

Nc1cccc(c1C#N)S(=O)(=O)c1cc(Cl)ccc1Cl

Cc1cccc(c1)S(=O)(=O)c1cccc(N)c1C#N

COc1cc(C)cc(c1)S(=O)(=O)c1cccc(N)c1C#N

Nc1cccc([S+]([O-])c2cc(Cl)ccc2Cl)c1C#N

Cc1cccc(c1)[S+]([O-])c1cccc(N)c1C#N

Nc1cccc(Sc2cccc(c2)C(F)(F)F)c1C#N

Nc1cccc(Sc2cccc(Cl)c2)c1C#N

COc1cccc(Sc2cccc(N)c2C#N)c1

Nc1cccc(c1C#N)S(=O)(=O)c1ccccc1F

Nc1cccc(Sc2cccc(F)c2)c1C#N

Nc1cccc(Sc2cc(Cl)ccc2Cl)c1C#N

Cc1cc(Cl)cc(c1)[S+]([O-])c1cccc(N)c1C#N

COc1ccc(cc1)S(=O)(=O)c1cccc(N)c1C#N

Cc1ccccc1S(=O)(=O)c1cccc(N)c1C#N

Nc1cccc(c1C#N)S(=O)(=O)c1cccc(c1)C#N

Nc1cccc(Sc2ccccc2)c1C#N

COc1cc(C)cc(Sc2cccc(N)c2C#N)c1

Cc1ccc2C(=O)N(CCOC(=S)N(C(=O)c3ccc(Cl)cc3)c3ccc(cc3)[N+]([O-])=O)C(=O)c2c1

Clc1ncccc1C(=O)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)c1ccc(Br)cc1

Cc1nc(nc(C)c1CCC#N)N1C(SCC1=O)c1c(F)cccc1Cl

CCCCCc1c(C)nc(nc1C)N1C(SCC1=O)c1c(F)cccc1Cl

CCCCc1c(C)nc(nc1C)N1C(SCC1=O)c1c(F)cccc1Cl

CCCc1c(C)nc(nc1C)N1C(SCC1=O)c1c(F)cccc1Cl

Cc1nc(nc(C)c1C)N1C(SCC1=O)c1c(F)cccc1Cl

Cc1nc(nc(C)c1Br)N1C(SCC1=O)c1c(Cl)cccc1Cl

CCCCCc1c(C)nc(nc1C)N1C(SCC1=O)c1c(Cl)cccc1Cl

CCCc1c(C)nc(nc1C)N1C(SCC1=O)c1c(Cl)cccc1Cl

Cc1nc(nc(C)c1Br)N1C(SCC1=O)c1c(F)cccc1Cl

Cc1nc(nc(C)c1CC=C)N1C(SCC1=O)c1c(Cl)cccc1Cl

Cc1nc(nc(C)c1C)N1C(SCC1=O)c1c(Cl)cccc1Cl

Cc1nc(nc(C)c1CC=C)N1C(SCC1=O)c1c(F)cccc1Cl

CCc1c(C)nc(nc1C)N1C(SCC1=O)c1c(F)cccc1Cl

Cc1nc(nc(C)c1CCC#N)N1C(SCC1=O)c1c(Cl)cccc1Cl

CCc1c(C)nc(nc1C)N1C(SCC1=O)c1c(Cl)cccc1Cl

CCCCc1c(C)nc(nc1C)N1C(SCC1=O)c1c(Cl)cccc1Cl

[H][C@@]12CCCN3CCC[C@@]([H])([C@]4([H])CCCC(=O)N4C1)[C@]23[H] |r|

CC1=CC(=O)C(C)=CC1=O |c:6,t:1|

[H][C@@]12COc3cc(OC)c(OC)cc3[C@]1(O)C(=O)c1ccc3O[C@H](Cc3c1O2)C(C)=C |r|

[H][C@@]12C[C@@]3(O)[C@]4([H])[C@@H]([C@@]([H])(OC4=O)[C@@]4([H])OC(=O)C1(O2)[C@@]34C)C(C)(C)O

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O |t:8|

[H][C@@]1(CC[C@@]2(O)C3=CC(=O)[C@]4(O)C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@@](C)(O)[C@H](O)CCC(C)(C)O |r,t:6|

[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@]1(CC[C@H](C)CN1)O2)O[C@]1([H])O[C@H](CO)[C@]([H])(O[C@@H]2O[C@H](CO)[C@@H](O)[C@]([H])(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@]2([H])O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r|

[H][C@@]12CC[C@@]3([H])[C@]4(O)C[C@H](O)[C@@]5(O)[C@@]([H])(CN6C[C@@H](C)CC[C@@]6([H])[C@@]5(C)O)[C@]4(O)C[C@]33O[C@]1(O)[C@H](CC[C@@]23C)OC(=O)C(\C)=C/C |r,TLB:39:34:1:31.30,33:32:37:4.3.2,4:30:34.35.36:1,THB:34:32:37:4.3.2|

CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(O)(=O)=O)O[C@@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@@H](O)O[C@H](O[C@H]3[C@H](O)[C@@H](OS(O)(=O)=O)C(O)O[C@H]3C(O)=O)[C@H](OS(O)(=O)=O)[C@H]2CS(O)(=O)=O)O[C@@H]1C(O)=O |r|

CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:11|

[H][C@]12[C@@H](CC[C@]1(CO)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C

[H][C@@]12CC(C)(C)CC[C@]1(CO)[C@H](O)C[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C |r,t:18|

[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]([#6])([#8]-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8]-[#6@@H]-2-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-2-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8])[#6@H]-1-[#6]-[#6][C@]2([#6])[#6@@H]-1-[#6@H](-[#8])-[#6]-[#6@@H]1[C@@]3([#6])[#6]-[#6]-[#6@H](-[#8]-[#6@@H]-4-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-4-[#8]-[#6@@H]-4-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-4-[#8])C([#6])([#6])[#6@@H]3-[#6]-[#6][C@@]21[#6] |r|

c1cc2c(c3c1cc-4[n+](c3)CCc5c4cc6c(c5)OCO6)OCO2

COc1cc2c[n+](C)c3c(ccc4cc5OCOc5cc34)c2cc1OC

COc1cc2OC(C)(C)C=Cc2c2n(C)c3ccccc3c(=O)c12 |c:9|

COc1cc2OC(C)(C)CCc2c2n(C)c3ccccc3c(=O)c12

COc1c(c2OC(C)(C)C=Cc2c2n(C)c3ccccc3c(=O)c12)[N+]([O-])=O |c:9|

COc1cc2OC(C)(C)C=Cc2c2n(C)c3ccccc3c(=S)c12 |c:9|

CNC[C@H](O)c1cccc(O)c1 |r|

C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)C)C)\C)OC)(NC(=O)O2)O

[H][C@@]12Cc3ccc(OC)c(O)c3-c3c(O)c(OC)cc(CC[N+]1(C)C)c23

[H][C@]12[C@@H](O)Cc3cc4OCOc4cc3[C@@]1([H])N(C)Cc1c3OCOc3ccc21 |r|

C[n+]1cc2c(ccc3c2OCO3)c4c1c5cc6c(cc5cc4)OCO6

C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C2=CC(=O)OC2)[C@H](O)[C@H](O)[C@H]1O |r,t:33|

COc1c2ccoc2c(OC)c2oc(C)cc(=O)c12

c1c2c(cc(c1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)OC(=O)C=C2

COc1cc2oc(=O)ccc2cc1C(O)C(O)C(C)=C

[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(O)=O |r|

[H][C@@]1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@@]12C[C@]3(CC1=C)CC[C@]1([H])[C@@](C)(CCC[C@@]1(C)[C@]3([H])CC2)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|

COC1CCCc2c1oc(-c1ccccc1)c(O)c2=O

c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O

COc1c2occc2c(CC(O)C(C)(C)O)c2ccc(=O)oc12

COc1c2ccoc2nc2c(OC(C)=O)cccc12

CCC1C2CC3C4N(C)c5ccccc5C44CC(C2[C@H]4O)N3C1O |r,TLB:23:22:18.17:4.5,7:6:21:18.3.4,6:5:18.17:22.2,16:17:22.2:4.5,19:15:21:18.3.4,19:18:6.15.16:21,19:18:22.2:4.5,THB:2:3:6.15.16:21,1:2:18.17:4.5,20:19:16:6.21.5,3:18:16:6.21.5|

[H][C@@]12Cn3ccc4c(nc5ccccc45)c3C[C@]1([H])C(=CO[C@H]2C)C(=O)OC

[H][C@@]12C[C@]3([H])C(=CO[C@@H](C)[C@]3([H])CN1CCc1c2[nH]c2ccc(OC)cc12)C(=O)OC |r,c:5|

CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r|

[H][C@@]12C[C@H](CC)[C@]3([H])N(C1)CCc1c([nH]c4cc(OC)c(OC)cc14)[C@@]3(C2)C(=O)OC |r,TLB:4:3:26.25:8.9,27:25:3.2:8.9,THB:10:8:3.2:26.25,13:25:3.2:8.9|

[H][C@]12C[C@]3([H])N(CCc4c3[nH]c3ccccc43)CC1=C[C@@H](OC(=O)c1cc(OC)c(OC)c(OC)c1)[C@H](OC)[C@H]2C(=O)OC

[H][C@]12C[C@@H](OC(=O)c3cc(OC)c(OC)c(OC)c3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCc3c1[nH]c1ccccc31)C2 |r|

[H][C@]12CCN3CC=C(COC(=O)[C@](C)(O)C(=C)C\C(=C\C)C(=O)O1)[C@]23[H] |r,t:6|

COc1ccc2c(c1)c(ccn2)[C@@H]([C@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O

COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](OC(=O)\C=C(/C)C(C)C)C(=O)O[C@@H]3C[C@H]1C(C)C(=O)C(=O)C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O |r|

[H][C@]12C[C@]3([H])CCCCC3[C@@]([H])(C1)c1ccc(OC)c(OC)c1-c1cc(ccc1O)\C=C/C(=O)O2 |r,c:34|

[H][C@@]12CCC[C@]([H])(N1)[C@@]13CN4CCCC[C@]4([H])[C@@]([H])(C[C@]4([H])CCCN2[C@@]14[H])C3 |r|

[H][C@@]12CN3CCCC[C@@]3([H])[C@@]([H])(CN3CCCC[C@]13[H])C2 |r|

[H][C@]12Cc3c([nH]c4ccccc34)C(=O)C[C@]([H])([C@@H]1C(=O)OC)\C(CN2C(C)=O)=C/C |r|

[H][C@]12C[C@]34[C@H](OC(C)=O)[C@]1([H])[C@@]1([H])C[C@]([H])(N2[C@H](C)C1C=O)C3=Nc1ccccc41 |r,c:26,TLB:17:16:3.22.2:13.11.9,4:9:14.13:19.17,22:14:19.17:1.9,18:17:14.13:1.9,2:1:14.13:19.17,THB:20:19:14.13:1.9|

[H][C@@]12C[C@]3([H])C(=CO[C@H](C)[C@]3([H])CN1CCc1c2[nH]c2ccccc12)C(=O)OC |r,c:5|

[H][C@]12Cc3c([nH]c4ccc(O)cc34)[C@]3([H])C[C@@]([H])([C@H]1CO)\C(CN23)=C/C |r,TLB:24:21:13.15:1.18,4:13:21.22:1.18,2:1:13.15:21.22,THB:19:18:13.15:21.22,22:23:3.4.2:15.16.18|

COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r,t:4|

[H][C@]1(C[C@H]2C[C@]3([H])N(CCc4cc(OC)c(OC)cc34)C[C@@H]2CC)NCCc2c1[nH]c1ccc(O)cc21 |r|

[H][C@]12C=C[C@]3(OC(=O)C(=C3)[C@H](C)OC(=O)\C=C\c3ccc(O)cc3)[C@@]1([H])[C@H](O[C@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(=O)OC |r,c:2,8,45|

[H][C@]12C=C[C@]3(OC(=O)C(=C3)[C@H](C)O)[C@@]1([H])[C@H](O[C@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(O)=O |r,c:2,8,33|

[H][C@]12O[C@@]3([H])\C(=C/C)C(=O)O[C@]33C=C[C@]([H])(C(=CO1)C(=O)OC)[C@]23[H] |r,c:13,17|

[H][C@]12C=C[C@]3(OC(=O)C(=C3)[C@H](C)O)[C@@]1([H])[C@H](O[C@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(=O)OC |r,c:2,8,33|

CC[C@H]1CN2CCc3cc(c(cc3[C@@H]2C[C@@H]1C[C@@H]4c5cc(c(cc5CCN4)O)OC)OC)OC

[H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2cc3OCOc3cc12

COc1ccc(cc1OC)Cc2c3cc(c(cc3ccn2)OC)OC

COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4 |r|

[H][C@]12O[C@@]11[C@@](C)(CC[C@]3([H])[C@@]45COC(=O)C[C@]4([H])OC(C)(C)[C@]5([H])CC(=O)[C@@]13C)[C@@H](OC2=O)c1ccoc1 |r|

C[n+]1cccc(c1)C([O-])=O

c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)O)O)OC2=O

COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC

COc1ccc2CC3c4cc5OCOc5cc4CC[N+]3(C)Cc2c1OC

COc1cc-2c(CC[n+]3cc4c(OC)c(OC)ccc4cc-23)cc1O

COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC

COc1cc2CCN3Cc4c(C[C@H]3c2cc1OC)ccc(OC)c4OC |r|

CC[C@@]12CCCN3CC[C@@]4([C@@H](CC1)N(C(C)=O)c1c4cccc1OC)[C@@H]23 |r|

COC(=O)C1(CO)C2CC[C@@]34Nc5ccccc5[C@@]13CC[N+]4(C)CC2=CC

[H][C@]12O[C@@]1(CC)CN1C[C@]2([H])C[C@@](C(=O)OC)(c2[nH]c3ccccc3c2CC1)c1cc2c(cc1OC)N(C)[C@]1([H])[C@]22CCN3CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]1(O)C(=O)OC)[C@@]23[H]

COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1

O[C@@H]1CN2CCC[C@@H](O)[C@@H]2[C@@H]1O |r|

[H][C@]12C[C@@]3([H])c4[nH]c5ccc(O)cc5c4C[C@@]([H])([C@H]1C(=O)OC)[N+]3=C\C2=C\C |r,t:27,TLB:26:25:3.2:16.18,5:3:25.24:16.18,15:16:3.2:25.24,THB:24:23:14.5.15:2.1.18,19:18:3.2:25.24|

[H][C@@]12O[C@@]1([H])[C@]1([H])C[C@@H](C[C@@]2([H])N1C)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:14:8:12:1.3,2:1:12:8.7.9,2:3:12:8.7.9|

[H][C@@]12CN3C[C@@](CC)(CCc4[nH]c5ccccc5c4CC3)[C@]1([H])O2 |r|

[H][C@]12Cc3c([nH]c4ccccc34)C(=O)C[C@]([H])([C@@H]1C(=O)OC)\C(CN2)=C/C |r|

[H][C@]12Cc3c([nH]c4ccccc34)C(=O)C[C@]([H])([C@@H]1C(=O)OC)\C(CN2C=O)=C/C |r|

[H][C@@]12[C@H](OC(=O)[C@@](O)(CCCC(C)(C)O)CC(=O)OC)C(OC)=C[C@@]11CCCN1CCc1cc3OCOc3cc21 |r,c:22|

COc1c(O)ccc2c(OC)c3ccoc3nc12

CC[C@]1(O)C[C@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C=O)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |r,c:49|

[H][C@]12Cc3ccc(Oc4cc(C[C@]5([H])N(C)CCc6c(OC)c(OC)c(OC)c(Oc7cc1c(CCN2C)cc7OC)c56)ccc4OC)cc3 |r|

COc1cc2CC[n+]3cc4c(OC)c(OC)ccc4cc3-c2cc1O

[H][C@@]12[C@H](O)CC[N+]1([O-])CC=C2COC(=O)[C@@](O)(C(C)C)[C@H](C)O |r,c:10|

[H][C@@]12CCCN[C@@]1([H])C1(C[C@]2([H])[C@@]2([H])CCCCN2C1)[C@@]1([H])CCC[C@@]([H])(N1)C1CC[C@]2([H])N[C@@]1([H])N1CCC[C@@]3([H])C[C@]4([H])C[C@]2(CN2CCCC[C@]42[H])[C@]13[H] |r,TLB:17:18:6.1:9,2:1:19.18.12:9,THB:5:6:19.18.12:9|

[H][C@@]12COc3cc4OCOc4cc3[C@]1([H])C(=O)c1c(O)c3ccoc3c(OC)c1O2 |r|

[H][C@@]1(O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C3[C@@]5([H])CC(C)(C)CC[C@@]5(CC[C@@]43C)C(O)=O)C2(C)C)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O |r,t:18|

O=C(\C=C\C1=CCCC=C1)C1=CC=CCC1 |c:8,13,t:4,11|

COc1ccc2C[C@@H]3N(CCc4cc(OC)c(OC)cc34)Cc2c1O |r|

COc1cc2c(ccc3c4cc(OC)c(OC)cc4cnc23)cc1O

COc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(OC)c1

[H][C@]12CCN3CC=C(COC(=O)[C@](C)(O)[C@H](C)C\C(=C\C)C(=O)O1)[C@]23[H] |r,t:6|

[H][C@@]12CCN3CC=C[C@]45CC[C@]1(N(c1cc6OCOc6cc21)C(=O)C4)[C@@]35[H] |r,c:6|

[H][C@@]12[C@H](CCN1CC=C2COC(=O)[C@](O)([C@H](C)OC)C(C)(C)O)OC(=O)C(\C)=C/C |r,c:8|

[H][C@@]12CN3CCc4c([nH]c5ccccc45)[C@@](C1)(C(=O)OC)[C@@]3([H])C(CC)=C2

[H][C@@]12C[C@]3([H])C(=CO[C@H](C)[C@]3([H])CN1CCc1c2[nH]c2cc(OC)ccc12)C(=O)OC |r,c:5|

CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |r,c:48|

[H][C@@]12C[C@H](CC3=NCCc4cc(O)c(OC)cc34)[C@@H](CC)CN1CCc1cc(OC)c(OC)cc21 |r,t:5|

[H][C@@]12CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@@H](OC(=O)C[C@H](O)[C@]([H])(NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]1CCCN1C(=O)C(C)O)[C@@H](C)OC(=O)[C@H](Cc1ccc(OC)cc1)N(C)C2=O)[C@@H](C)CC)C(C)C

Oc1cc(cc(O)c1O)C(=O)Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1

COc1ccc2C=C3N(CCc4cc5OCOc5cc34)Cc2c1OC |c:6|

[H][C@]12CCN3CC=C(COC(=O)[C@](C)(O)[C@](C)(O)[C@@H](C)C(=O)O1)[C@]23[H] |r,t:6|

[H][C@@]12CCN(C\C1=C\C)Cc1cc3cc[nH]c3cc1C2=C |r,TLB:17:18:2.3:6.5,20:19:2.3:6.5,THB:7:6:10.18.19.9:2.3|

COC(=O)CC1(O)C=CC(=O)C=C1 |c:7,11|

C[C@@H]1CO[C@]2(C[C@@H]1OC(=O)/C=C/c3ccccc3)[C@]4(CO4)[C@@H]5CC[C@@H](C[C@@H]5O2)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C)O)OC(=O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C)O)OC(=O)C)O

CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C |r,t:13|

C[C@@H]1C[C@@H]2[C@@](C)(CC[C@]3(C)C4=CC=c5c(cc(O)c(O)c5=C)[C@]4(C)CC[C@@]23C)[C@H](O)C1=O |r,c:12,t:10|

COc1cc2OC(C)(C)C=Cc2c2n(C)c3ccccc3\c(=N\N=c3/c4ccccc4n(C)c4c5C=CC(C)(C)Oc5cc(OC)c34)c12 |c:9,38|

CN[C@@H](C)[C@H](O)c1ccccc1

COc1cc-2c(C[C@@H]3N(C)CCc4cc(O)c(OC)c-2c34)cc1O |r|

[H][C@@]12[C@H](OC(=O)[C@@](O)(CCC(C)(C)O)CC(=O)OC)C(OC)=C[C@@]11CCCN1CCc1cc3OCOc3cc21 |r,c:21|

c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O

[H][C@@]1([C@@H](O)c2ccccc2)[C@@H](Cc2cncn2C)COC1=O |r|

COc1cc2N3[C@H]4[C@@H]5[C@H](CC3=O)OCC=C3CN6CC[C@]4([C@@H]6C[C@H]53)c2cc1OC |t:15|

[H][C@]12N3CC[C@@]11C(CC[C@@]2(CC)CCC3)=Nc2c1cccc2OC |r,c:17|

O[C@H]([C@H]1C[C@@H]2CC[N@]1C[C@@H]2C=C)c1ccnc2ccccc12 |r|

COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|

COc1coc(CO)cc1=O

CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C

C[C@H]1[C@H]2CN3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]2C(=CO1)C(=O)OC

[H][C@@]12C[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3(O)CC[C@@]4(O)[C@@](C)(O)[C@@]3([H])CC(C)=C(C)C(=O)O3)[C@@]3(C)C(=O)C=C[C@H](O)[C@@]13O2 |r,c:37,t:26|

[H][C@]12O[C@@]11[C@@](C)(CC[C@]3([H])[C@@]4(C)[C@H](CC(=O)OC(C)(C)[C@]4([H])CC(=O)[C@@]13C)OC(C)=O)[C@H](OC2=O)c1ccoc1 |r|

COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|

[H][C@@]12CC[C@]34CC(=O)N5c6cc(OC)c(OC)cc6[C@]1([H])CCN(CC=C3)C245 |r,c:27,TLB:2:1:18.9.8:21.22.23|

CC(=C)[C@H]1Cc2c(ccc3c2O[C@@H]4COc5cc(c(cc5[C@@H]4C3=O)OC)OC)O1

[H][C@@]1(Cc2cc(OC)c(OC)cc2Oc2cc3C[C@]4([H])N(C)CCc5cc(OC)c(OC)c(-c3cc2OC)c45)N(C)CCc2cc(OC)c(OC)cc12 |r|

COc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)cc1

[H][C@]12CCN3CC=C(COC(=O)[C@@](O)(CO)[C@H](C)C\C(=C/C)C(=O)O1)[C@]23[H] |r,t:6|

C[n+]1cc2c(ccc(c2OC)OC)c3c1c4cc5c(cc4cc3)OCO5

O[C@@H]1[C@@H](COC(=O)C=Cc2ccc(O)cc2)O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@H]1O |r,w:7.6|

Cc1c2[nH]c3ccccc3c2c(C)c2cnccc12

COC(=O)c1coc(=O)c2\C(=C\C=C\C)C=Cc12 |c:15|

[H][C@]12C[C@@H](O)[C@H](OC(=O)c3cc(OC)c(OC)c(OC)c3)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCc3c1[nH]c1ccccc31)C2 |r|

[H][C@]12C[C@]34C(O)[C@]1(C(=O)OC)[C@@]1([H])C[C@]([H])(N2C\C1=C/C)[C@@]3([H])N(C)c1ccccc41 |r,TLB:4:3:16:6.13.11,4:6:14.13:18.17,5:4:2:16.14.21,2:1:14.13:18.17,19:18:1.6:14.13,7:6:2:16.14.21,7:6:16:2.21.3,18:11:16:2.21.3,23:21:16:6.13.11,30:3:16:6.13.11,THB:4:6:16:2.21.3,11:6:2:16.14.21,7:6:14.13:18.17,21:14:1.6:18.17|

[H][C@]12CO[C@]([H])(c3cc(OC)c(O[C@]4([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@@]1([H])CO[C@]2([H])c1cc(OC)c(O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1 |r|

COc1ccc(C(=O)Cc2c(CCN(C)C)cc3OCOc3c2OC)c(C(O)=O)c1OC

CC(C)c1c(OC(C)=O)c(OC(C)=O)c(C=O)c2c(OC(C)=O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(OC(C)=O)c(OC(C)=O)c(C=O)c2c1OC(C)=O |(6.96,-3.81,;7.73,-5.15,;9.27,-5.15,;6.96,-6.48,;7.73,-7.82,;9.27,-7.82,;10.04,-9.14,;9.27,-10.48,;11.57,-9.14,;6.96,-9.14,;7.73,-10.48,;6.96,-11.8,;7.73,-13.14,;5.42,-11.8,;5.42,-9.14,;4.65,-10.48,;3.12,-10.48,;4.65,-7.82,;3.12,-7.82,;2.43,-9.69,;.99,-10.22,;-.35,-9.45,;.85,-11.75,;2.35,-6.48,;3.12,-5.15,;2.35,-3.81,;4.65,-5.15,;5.42,-6.48,;.38,-6.13,;-.39,-7.47,;.38,-8.8,;-1.93,-7.47,;-2.7,-6.13,;-4.24,-6.13,;-5.01,-7.47,;-4.13,-8.73,;-6.52,-7.73,;-5.01,-4.8,;-7.01,-4.8,;-8.29,-6.33,;-9.78,-5.93,;-8.03,-7.85,;-4.24,-3.47,;-5.01,-2.13,;-6.54,-2.13,;-7.32,-3.47,;-7.32,-.81,;-2.7,-3.47,;-2.17,-2.02,;-3.16,-.85,;-1.93,-4.8,;-.39,-4.8,;.6,-3.07,;-.07,-1.19,;1.01,-.1,;-1.52,-.66,)|

[H][C@@]12C[C@@H]([C@H](CC)CN1CCc1c2[nH]c2ccccc12)C(=C/OC)\C(=O)OC |r|

COC(=O)C1=CCCN(C)C1 |t:4|

COc1c(O)c2-c3ccc(O)cc3C(C)(C)c3nccc(c1OC)c23

[#6]-[#6@@H]-1-[#8]-[#6@@H](-[#8]-[#6@@H]-2-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@@H](-[#6]-[#8])-[#8]-[#6@H]-2-[#8]-[#6@H]-2-[#6][C@]3([#6])[#6@H](-[#6]-[#6@@H](-[#8])-[#6@@H]4-[#6@H](-[#6]-[#6][C@@]34[#6])[C@]([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#8]-[#6@@H]-3-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-3-[#8])[C@@]3([#6])[#6]-[#6]-[#6@H](-[#8])C([#6])([#6])[#6@H]-23)-[#6@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8] |r|

[H][C@]12CC\C(=C/C(=O)OCCN(C)C)[C@H](C)[C@]1([H])C(=O)C[C@@]1([H])C(C)(C)[C@H](CC[C@]21C)OS(O)(=O)=O |r|

[H][C@]12Cc3c([nH]c4ccc(OC)cc34)[C@]3([H])C[C@]([H])([C@H]1CO)\C(CN23)=C/C |r,TLB:25:22:14.16:1.19,4:14:22.23:1.19,2:1:14.16:22.23,THB:23:24:3.4.2:16.17.19,20:19:14.16:22.23|

CC[C@H]1CN2CCc3cc(c(cc3[C@@H]2C[C@@H]1C[C@@H]4c5cc(c(cc5CCN4)OC)OC)OC)OC

OC(=O)[C@]1(C[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](C1)OC(=O)c1cc(O)c(O)c(O)c1)OC(=O)c1cc(O)c(O)c(O)c1 |r,wU:3.2,5.5,wD:18.19,31.35,(5.49,-4.87,;4.97,-6.33,;3.46,-6.61,;5.98,-7.5,;7.32,-8.26,;7.33,-9.8,;8.67,-10.57,;10.21,-10.49,;10.92,-9.12,;11.04,-11.79,;10.32,-13.15,;11.15,-14.45,;10.44,-15.82,;12.69,-14.38,;13.52,-15.68,;13.4,-13.01,;14.94,-12.93,;12.57,-11.71,;6,-10.58,;6.02,-12.12,;7.37,-12.87,;8.69,-12.08,;7.4,-14.41,;6.07,-15.19,;6.09,-16.73,;4.77,-17.52,;7.44,-17.48,;7.47,-19.02,;8.77,-16.68,;10.11,-17.43,;8.74,-15.15,;4.66,-9.81,;4.65,-8.28,;3.34,-10.61,;2.6,-11.97,;3.41,-13.28,;1.06,-12.01,;.26,-10.69,;-1.28,-10.73,;-2.08,-9.41,;-2.01,-12.08,;-3.55,-12.12,;-1.2,-13.4,;-1.93,-14.76,;.33,-13.35,;6.96,-6.31,;6.93,-4.77,;5.58,-4.03,;8.24,-3.97,;9.59,-4.72,;10.91,-3.92,;12.26,-4.67,;10.88,-2.38,;12.19,-1.58,;9.52,-1.64,;9.48,-.1,;8.21,-2.44,)|

COC(=O)c1cc(cc(Cl)c1OC)C(=C\CCN1CCOC1=O)\c1cc(C)c2onc(OC)c2c1

COC(=O)c1cc(cc(C)c1OC)C(=C\CCN1CCOC1=O)\c1cc(C)c2onc(OC)c2c1

COc1noc2c(C)cc(cc12)C(=C/CCN1CCOC1=O)\c1cccc(c1)C#N

COC(=O)CCC\C=C(\c1cc(C)c2onc(OC)c2c1)c1cc(C)c2oc(=O)n(C)c2c1

COC(=O)c1cc(cc(C)c1OC)C(=C/CCN1CCOC1=O)\c1cc(C)c2onc(OC)c2c1

COC(=O)CCC\C=C(/c1cc(F)cc(c1)C(F)(F)F)c1cc(C)c2onc(OC)c2c1

[#6]-[#8]-c1noc2c(-[#6])cc(cc12)-[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#8]-[#6]-1=O)\c1cc(-[#6])c2onc(-[#8]-[#6])c2c1

COc1noc2c(C)cc(cc12)C(=C/CCN1CCOC1=O)\c1cc(C)c2oc(=O)n(C)c2c1

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

c1ccc2c(c1)[nH]c(n2)CN

COc1c(C(=O)c2cnc3nc4ccccc4n3c2)c(O)c(OC)c2occc12

COc1c(O)c(C(=O)C2=CN3C=CC=CC3N=C2)c(OC)c2ccoc12 |c:11,13,17,t:8|

COc1c(O)c(C(=O)C2=CN3C=CSC3N=C2)c(OC)c2ccoc12 |c:11,16,t:8|

COc1c(O)c(C(=O)C2=CN3OC(C)=NC3N=C2)c(OC)c2ccoc12 |c:13,17,t:8|

COc1c(O)c(C(=O)\C=C\Nc2ccncc2)c(OC)c2ccoc12

COc1c(C(=O)C2=CN3C(Nc4ccccc34)=CN=C2)c(O)cc2occc12 |c:18,20,t:6|

COc1c2occc2c(OC)c2c1occ(C=O)c2=O

COc1c(O)c(C(=O)C2=CN3C(Nc4ccccc34)=CN=C2)c(OC)c2ccoc12 |c:20,22,t:8|

COc1c(O)c(C(=O)C2=CN3C=CNC=C3N=C2)c(OC)c2ccoc12 |c:11,14,17,t:8|

CC(C)c1c(Sc2cc(C)cc(C)c2)n(CC2CC2)c(=O)[nH]c1=O

CC(C)c1c(Oc2cc(C)cc(C)c2)n(CC2CC2)c(=O)[nH]c1=O

CCc1c(C(=O)c2cc(C)cc(C)c2)n(CC2CC2)c(=O)[nH]c1=O

CCc1c(Sc2cc(C)cc(C)c2)n(CC2CCC2)c(=O)[nH]c1=O

CC(C)c1c(Oc2cc(C)cc(C)c2)n(CC2CCC2)c(=O)[nH]c1=O

CCc1c(C(=O)c2cc(C)cc(C)c2)n(CC2CCC2)c(=O)[nH]c1=O

CC(C)c1c(C(=O)c2cc(C)cc(C)c2)n(CC2CCC2)c(=O)[nH]c1=O

CCc1c(Oc2cc(C)cc(C)c2)n(CC2CCCC2)c(=O)[nH]c1=O

CC(C)c1c(Oc2cc(C)cc(C)c2)n(CC2CCCC2)c(=O)[nH]c1=O

CC(C)c1c(C(=O)c2cc(C)cc(C)c2)n(CC2CCCC2)c(=O)[nH]c1=O

CCc1c(Sc2cc(C)cc(C)c2)n(CC2CCCCC2)c(=O)[nH]c1=O

CCc1c(C(=O)c2cc(C)cc(C)c2)n(CC2CCCCC2)c(=O)[nH]c1=O

CC(C)c1c(C(=O)c2cc(C)cc(C)c2)n(CC2CCCCC2)c(=O)[nH]c1=O

CC(C)c1c(Sc2cc(C)cc(C)c2)n(Cc2ccccc2)c(=O)[nH]c1=O

CCc1c(Oc2cc(C)cc(C)c2)n(Cc2ccccc2)c(=O)[nH]c1=O

CC(C)c1c(Oc2cc(C)cc(C)c2)n(Cc2ccccc2)c(=O)[nH]c1=O

CC(C)c1c(C(=O)c2cc(C)cc(C)c2)n(Cc2ccccc2)c(=O)[nH]c1=O

CC(C)c1c(Sc2cc(C)cc(C)c2)n(CC2=CCCC2)c(=O)[nH]c1=O |t:17|

CC(C)c1c(Oc2cc(C)cc(C)c2)n(CC2=CCCC2)c(=O)[nH]c1=O |t:17|

CC(C)c1c(C(=O)c2cc(C)cc(C)c2)n(CC2=CCCC2)c(=O)[nH]c1=O |t:18|

CC(C)c1c(Sc2cc(C)cc(C)c2)n(CC2CC=CC2)c(=O)[nH]c1=O |c:19|

CC(C)c1c(Oc2ccccc2)n(CC2CC=CC2)c(=O)[nH]c1=O |c:17|

CCc1c(Oc2cc(C)cc(C)c2)n(CC2CC=CC2)c(=O)[nH]c1=O |c:18|

CC(C)c1c(Oc2cc(C)cc(C)c2)n(CC2CC=CC2)c(=O)[nH]c1=O |c:19|

Cc1cc(C)cc(c1)C(=O)c1c(C)c(=O)[nH]c(=O)n1CC1CC=CC1 |c:24|

CCc1c(C(=O)c2ccccc2)n(CC2CC=CC2)c(=O)[nH]c1=O |c:17|

CC(C)c1c(C(=O)c2ccccc2)n(CC2CC=CC2)c(=O)[nH]c1=O |c:18|

CC(C)c1c(Sc2cc(C)cc(C)c2)n(CCC2CCCC2)c(=O)[nH]c1=O

CC(C)c1c(Oc2cc(C)cc(C)c2)n(CCC2CCCC2)c(=O)[nH]c1=O

CCc1c(C(=O)c2cc(C)cc(C)c2)n(CCC2CCCC2)c(=O)[nH]c1=O

CC(C)c1c(C(=O)c2cc(C)cc(C)c2)n(CCC2CCCC2)c(=O)[nH]c1=O

CC(C)c1c(Sc2cc(C)cc(C)c2)n(CCC2=CCCC2)c(=O)[nH]c1=O |t:18|

CCc1c(Oc2cc(C)cc(C)c2)n(CCC2=CCCC2)c(=O)[nH]c1=O |t:17|

CC(C)c1c(C(=O)c2cc(C)cc(C)c2)n(CCC2=CCCC2)c(=O)[nH]c1=O |t:19|

CCc1c(Sc2cc(C)cc(C)c2)n(CCC2CCC=C2)c(=O)[nH]c1=O |c:20|

CCc1c(C(=O)c2cc(C)cc(C)c2)n(CCC2CCC=C2)c(=O)[nH]c1=O |c:21|

CC(C)c1c(Sc2cc(C)cc(C)c2)n(CCC2CC=CC2)c(=O)[nH]c1=O |c:20|

CCc1c(Oc2cc(C)cc(C)c2)n(CCC2CC=CC2)c(=O)[nH]c1=O |c:19|

CCc1c(C(=O)c2cc(C)cc(C)c2)n(CCC2CC=CC2)c(=O)[nH]c1=O |c:20|

CC(C)c1c(C(=O)c2cc(C)cc(C)c2)n(CCC2CC=CC2)c(=O)[nH]c1=O |c:21|

CCc1c(Oc2cc(C)cc(C)c2)n(CC2CC2)c(=O)[nH]c1=O

CCc1c(Sc2cc(C)cc(C)c2)n(CC2CCCC2)c(=O)[nH]c1=O

CCc1c(Sc2cc(C)cc(C)c2)n(CC2=CCCC2)c(=O)[nH]c1=O |t:16|

CC(C)c1c(C(=O)c2cc(C)cc(C)c2)n(CC2CC=CC2)c(=O)[nH]c1=O |c:20|

CCc1c(Sc2cc(C)cc(C)c2)n(CCC2CC=CC2)c(=O)[nH]c1=O |c:19|

CCc1c(Sc2cc(C)cc(C)c2)n(CC2CC2)c(=O)[nH]c1=O

CC(C)c1c(C(=O)c2cc(C)cc(C)c2)n(CC2CC2)c(=O)[nH]c1=O

CCc1c(Oc2cc(C)cc(C)c2)n(CC2CCC2)c(=O)[nH]c1=O

CC(C)c1c(Sc2cc(C)cc(C)c2)n(CC2CCCC2)c(=O)[nH]c1=O

CCc1c(C(=O)c2cc(C)cc(C)c2)n(CC2CCCC2)c(=O)[nH]c1=O

CCc1c(Sc2cc(C)cc(C)c2)n(Cc2ccccc2)c(=O)[nH]c1=O

CCc1c(C(=O)c2cc(C)cc(C)c2)n(Cc2ccccc2)c(=O)[nH]c1=O

CCc1c(Oc2cc(C)cc(C)c2)n(CC2=CCCC2)c(=O)[nH]c1=O |t:16|

CCc1c(Sc2ccccc2)n(CC2CC=CC2)c(=O)[nH]c1=O |c:16|

CC(C)c1c(Sc2ccccc2)n(CC2CC=CC2)c(=O)[nH]c1=O |c:17|

CCc1c(Oc2ccccc2)n(CC2CC=CC2)c(=O)[nH]c1=O |c:16|

Cc1cc(C)cc(c1)C(=O)c1cc(=O)[nH]c(=O)n1CC1CC=CC1 |c:23|

CCc1c(C(=O)c2cc(C)cc(C)c2)n(CC2CC=CC2)c(=O)[nH]c1=O |c:19|

CCc1c(Oc2cc(C)cc(C)c2)n(CCC2CCCC2)c(=O)[nH]c1=O

CCc1c(Sc2cc(C)cc(C)c2)n(CCC2=CCCC2)c(=O)[nH]c1=O |t:17|

CCc1c(C(=O)c2cc(C)cc(C)c2)n(CCC2=CCCC2)c(=O)[nH]c1=O |t:18|

CCc1c(Oc2cc(C)cc(C)c2)n(CCC2CCC=C2)c(=O)[nH]c1=O |c:20|

CC(C)c1c(C(=O)c2cc(C)cc(C)c2)n(CCC2CCC=C2)c(=O)[nH]c1=O |c:22|

CC(C)c1c(Oc2cc(C)cc(C)c2)n(CCC2CC=CC2)c(=O)[nH]c1=O |c:20|

CC(C)c1c(Oc2cc(C)cc(C)c2)n(CC2CCCCC2)c(=O)[nH]c1=O

CC(C)c1c(Sc2cc(C)cc(C)c2)n(CC2CCC2)c(=O)[nH]c1=O

CC(C)c1c(Sc2cc(C)cc(C)c2)n(CC2CCCCC2)c(=O)[nH]c1=O

CCc1c(C(=O)c2cc(C)cc(C)c2)n(CC2=CCCC2)c(=O)[nH]c1=O |t:17|

CCc1c(Sc2cc(C)cc(C)c2)n(CC2CC=CC2)c(=O)[nH]c1=O |c:18|

CCc1c(Sc2cc(C)cc(C)c2)n(CCC2CCCC2)c(=O)[nH]c1=O

CC(C)c1c(Sc2cc(C)cc(C)c2)n(CCC2CCC=C2)c(=O)[nH]c1=O |c:21|

CC(C)c1c(Oc2cc(C)cc(C)c2)n(CCC2CCC=C2)c(=O)[nH]c1=O |c:21|

CC(C)c1c(Oc2cc(C)cc(C)c2)n(CCC2=CCCC2)c(=O)[nH]c1=O |t:18|

CCc1c(Oc2cc(C)cc(C)c2)n(CC2CCCCC2)c(=O)[nH]c1=O

Fc1ccc(cc1)S(=O)(=O)N1CC(=O)Nc2ccc(Cl)cc12

Fc1cccc(F)c1S(=O)(=O)Nc1cc(Cl)ccc1NC(=O)CCl

Fc1cc(F)cc(c1)S(=O)(=O)Nc1cc(Cl)ccc1NC(=O)CCl

Fc1cc(F)cc(c1)S(=O)(=O)N1CC(=O)Nc2ccc(Cl)cc12

Clc1ccc2[nH]c(=O)n(c2c1)S(=O)(=O)c1c(Cl)cccc1Cl

Fc1ccccc1S(=O)(=O)n1c2cc(Cl)ccc2[nH]c1=O

Fc1ccccc1S(=O)(=O)N1CC(=O)Nc2ccc(Cl)cc12

Fc1cccc(c1)S(=O)(=O)n1c2cc(Cl)ccc2[nH]c1=O

Fc1cccc(c1)S(=O)(=O)N1CC(=O)Nc2ccc(Cl)cc12

Clc1ccc2NC(=O)CN(c2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

Fc1ccc(cc1)S(=O)(=O)n1c2cc(Cl)ccc2[nH]c1=O

ClCC(=O)Nc1ccc(Cl)cc1NS(=O)(=O)c1cccc(c1)C#N

Clc1ccc2[nH]c(=O)n(c2c1)S(=O)(=O)c1cccc(c1)C#N

Fc1cccc(F)c1S(=O)(=O)N1CC(=O)Nc2ccc(Cl)cc12

Clc1ccc2NC(=O)CN(c2c1)S(=O)(=O)c1c(Cl)cccc1Cl

Clc1ccc2[nH]c(=O)n(c2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

ClCC(=O)Nc1ccc(Cl)cc1NS(=O)(=O)c1c(Cl)cccc1Cl

ClCC(=O)Nc1ccc(Cl)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1

Clc1ccc2NC(=O)CN(c2c1)S(=O)(=O)c1cccc(c1)C#N

Cc1cc(C)cc(c1)S(=O)(=O)N1CC(=O)Nc2ccc(Cl)cc12

Cc1cc(C)cc(c1)S(=O)(=O)Nc1cc(Cl)ccc1NC(=O)CCl

Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1 |r|

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O

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

Cc1cc(cc2c1OC(=O)N2C)/C(=C/CCCc3nnc(o3)C)/c4cc(c(c(c4)C(=O)SC)OC)C

Cc1cccc2COP(=O)(OC[C@H]3C[C@H](C[C@@H]3O)n3cc(C)c(=O)[nH]c3=O)Oc12 |r|

Cc1cn([C@H]2C[C@H](O)[C@@H](CO)C2)c(=O)[nH]c1=O |r|

Cc1cc(ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(F)cc(c1)C(F)(F)F)S(N)(=O)=O

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

Cc1nnc(SCC(=O)Nc2ccccc2)n1-c1ccc(C)cc1

Cc1nnc(SCC(=O)Nc2ccc(C)cc2Br)n1-c1ccccc1

Cc1cc(C)c(c(C)c1)S(=O)(=O)n1c2cc(Cl)ccc2[nH]c1=O

Cc1ccc(cc1C)S(=O)(=O)n1c2cc(Cl)ccc2[nH]c1=O

Cc1ccc(cc1C)S(=O)(=O)n1c2cc(Cl)ccc2[nH]c1=S

Cc1cccc(c1)S(=O)(=O)n1c2cc(Cl)ccc2[nH]c1=O

Cc1c(C)c(C)c(c(C)c1C)S(=O)(=O)n1c2cc(Cl)ccc2[nH]c1=O

Cc1cc(C)c(C)c(c1C)S(=O)(=O)n1c2cc(Cl)ccc2[nH]c1=O

Cc1ccc(cc1)S(=O)(=O)n1c2cc(Cl)ccc2[nH]c1=O

FC(F)(F)Oc1cccc(c1)S(=O)(=O)n1c2cc(Cl)ccc2[nH]c1=O

FC(F)(F)c1cccc(c1)S(=O)(=O)n1c2cc(Cl)ccc2[nH]c1=O

Cc1ccc(c(C)c1)S(=O)(=O)n1c2cc(Cl)ccc2[nH]c1=O

Cc1ccc(C)c(c1)S(=O)(=O)n1c2cc(Cl)ccc2[nH]c1=O

FC(F)(F)c1cc(cc(c1)S(=O)(=O)n1c2cc(Cl)ccc2[nH]c1=O)C(F)(F)F

Cc1cc(C)cc(c1)S(=O)(=O)n1c2nc(Cl)ccc2[nH]c1=O

COc1cccc(c1)S(=O)(=O)n1c2cc(Cl)ccc2[nH]c1=O

Cc1ccccc1S(=O)(=O)n1c2cc(Cl)ccc2[nH]c1=O

CC(=O)c1c(O)c(C(c2ccnc3ccccc23)c2c(O)c(C(C)=O)c(O)c(C(C)=O)c2O)c(O)c(C(C)=O)c1O

CC(C)CC(=O)c1c(O)c(C(c2ccc(OCc3ccccc3)cc2)c2c(O)c(C(=O)CC(C)C)c(O)c(C(=O)CC(C)C)c2O)c(O)c(C(=O)CC(C)C)c1O

Cc1ccc2c(c1)CCCN2C(=O)SCC(=O)Nc3ccc(cc3Cl)S(=O)(=O)N

NS(=O)(=O)c1ccc(NC(=O)C2CC2C(=O)N2CCCc3cc(Cl)cc(Cl)c23)c(Cl)c1

NS(=O)(=O)c1ccc(NC(=O)CCC(=O)N2CCCc3cc(Cl)cc(Cl)c23)c(Cl)c1

Clc1cc(Cl)c2N(CCCc2c1)C(=O)SCC(=O)Nc1ccc(cc1Cl)C#N

NS(=O)(=O)c1ccc(NC(=O)CSC(=O)N2CCCc3cccc(Cl)c23)c(Cl)c1

NS(=O)(=O)c1ccc(NC(=O)COC(=O)N2CCCc3cc(Cl)cc(Cl)c23)c(Cl)c1

CN(C(=O)SCC(=O)Nc1ccc(cc1Cl)S(N)(=O)=O)c1c(C)cc(C)cc1C

NCCCNC(=O)c1ccc(NC(=O)CSC(=O)N2CCCc3cc(Cl)cc(Cl)c23)c(Cl)c1

Cc1cccc2CCCN(C(=O)SCC(=O)Nc3ccc(cc3Cl)S(N)(=O)=O)c12

Clc1cc(Cl)c2N(CCCc2c1)C(=O)SCC(=O)Nc1ccc(cc1Cl)C(=O)NCc1ccccc1

CS(=O)(=O)c1ccc(NC(=O)CSC(=O)N2CCCc3cc(Cl)cc(Cl)c23)c(Cl)c1

NS(=O)(=O)c1ccc(NC(=O)CNC(=O)N2CCCc3cc(Cl)cc(Cl)c23)c(Cl)c1

Clc1cc(Cl)c2N(CCCc2c1)C(=O)SCC(=O)Nc1ccccc1Cl

NS(=O)(=O)c1ccc(NC(=O)CSC(=O)N2CCCc3cc(Cl)ccc23)c(Cl)c1

c1cc(c(cc1S(=O)(=O)N)Cl)NC(=O)CSC(=O)N2CCCc3c2c(cc(c3)Cl)Cl

Clc1cc(Cc2ccccc2)nc(SCc2ccccc2)n1

Nc1cc(Cc2ccccc2)nc(SCc2ccccc2)n1

O=c1cc(Cc2ccccc2)nc(SCCc2ccccc2)[nH]1

Cc1ccccc1CSc1nc(Cc2ccccc2)cc(=O)[nH]1

Cc1cccc(CSc2nc(Cl)cc(Cc3ccccc3)n2)c1

Cc1cccc(CSc2nc(N)cc(Cc3ccccc3)n2)c1

COc1cccc(CSc2nc(N)cc(Cc3ccccc3)n2)c1

Nc1cc(Cc2ccccc2)nc(SCc2ccc3ccccc3c2)n1

CC(Sc1nc(Cc2ccccc2)cc(=O)[nH]1)c1ccccc1

Cc1cccc(CSc2nc(Cc3ccccc3)cc(=O)[nH]2)c1

Cc1ccccc1CSc1nc(N)cc(Cc2ccccc2)n1

COc1cccc(CSc2nc(Cc3ccccc3)cc(=O)[nH]2)c1

CC(Sc1nc(N)cc(Cc2ccccc2)n1)c1ccccc1

O=c1cc(Cc2ccccc2)nc(SCCCc2ccccc2)[nH]1

CCOCSc1nc(Cc2ccccc2)cc(=O)[nH]1

O=c1cc(Cc2ccccc2)nc(SCOCc2ccccc2)[nH]1

Cc1c(Cc2ccccc2)nc(SCCc2ccccc2)[nH]c1=O

Cc1c(Cc2ccccc2)nc(SCCCc2ccccc2)[nH]c1=O

Cc1ccccc1CSc1nc(Cc2ccccc2)c(C)c(=O)[nH]1

CC(Sc1nc(Cc2ccccc2)c(C)c(=O)[nH]1)c1ccccc1

Ic1c(Cc2ccccc2)nc(SCCc2ccccc2)[nH]c1=O

Ic1c(Cc2ccccc2)nc(SCCCc2ccccc2)[nH]c1=O

Cc1ccccc1CSc1nc(Cc2ccccc2)c(I)c(=O)[nH]1

COc1cccc(CSc2nc(Cc3ccccc3)c(I)c(=O)[nH]2)c1

CC(C)(C)c1ccc(CSc2nc(Cc3ccccc3)c(I)c(=O)[nH]2)cc1

Cc1ccccc1CSc1nc(Cc2ccccc2)c(Br)c(=O)[nH]1

Cc1cccc(CSc2nc(Cc3ccccc3)c(Br)c(=O)[nH]2)c1

Brc1c(Cc2ccccc2)nc(SCc2ccc3ccccc3c2)[nH]c1=O

CCOCSc1nc(Cc2ccccc2)c(C)c(=O)[nH]1

Ic1c(Cc2ccccc2)nc(SCc2ccc3ccccc3c2)[nH]c1=O

C=CCSc1nc(Cc2ccccc2)cc(=O)[nH]1

COc1cccc(CSc2nc(Cc3ccccc3)c(C)c(=O)[nH]2)c1

Cc1cccc(CSc2nc(Cc3ccccc3)c(I)c(=O)[nH]2)c1

Brc1c(Cc2ccccc2)nc(SCCc2ccccc2)[nH]c1=O

Cc1c(Cc2ccccc2)nc(SCOCc2ccccc2)[nH]c1=O

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

Ic1c(Cc2ccccc2)nc(SCc2ccccc2)[nH]c1=O

c1nc(c2c(n1)n(cn2)[C@H]3C(=C[C@H](O3)OC[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)F)N

[H][C@](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)CC)([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|

[H][C@](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(C)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|

CC(C)c1c(Cc2ccccc2)[nH]c(=O)n(CCCCc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)c1=O

CC(C)c1c(Cc2ccccc2)[nH]c(=O)n(CCCc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)c1=O

CCc1c(Cc2ccccc2)nc(SCc2ccc(Cc3cccc(c3)C(=O)\C=C(/O)C(O)=O)cc2)[nH]c1=O

CCc1c(Cc2ccccc2)nc(SCc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)[nH]c1=O

CC(C)c1c(Cc2ccccc2)n(COCCc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)c(=O)[nH]c1=O

CCc1c(Cc2cc(C)cc(C)c2)n(COCc2ccc(Cc3cccc(c3)C(=O)\C=C(/O)C(O)=O)cc2)c(=O)[nH]c1=O

CCc1c(Cc2ccccc2)n(COCc2ccc(Cc3cccc(c3)C(=O)\C=C(/O)C(O)=O)cc2)c(=O)[nH]c1=O

CC(C)c1c(Cc2ccccc2)n(COCc2ccc(Cc3cccc(c3)C(=O)\C=C(/O)C(O)=O)cc2)c(=O)[nH]c1=O

CC(C)c1c(Cc2ccccc2)[nH]c(=O)n(CCc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)c1=O

CC(C)c1c(Cc2ccccc2)n(COCCCc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)c(=O)[nH]c1=O

CC(C)c1c(Cc2cc(C)cc(C)c2)n(COCc2ccc(Cc3cccc(c3)C(=O)\C=C(/O)C(O)=O)cc2)c(=O)[nH]c1=O

CC(C)c1c(Cc2ccccc2)[nH]c(=O)n(CCCCCCc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)c1=O

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3Cl)C(N)=O)CC2)ncc1Br)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3Cl)S(N)(=O)=O)CC2)ncc1Br)C#N

Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(Cc3ccc(cc3Cl)S(C)(=O)=O)CC2)n1)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(C)(=O)=O)CC2)ncc1Br)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3cccc(c3)C#N)CC2)ncc1Br)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccccc3C#N)CC2)ncc1Br)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(C2)c2ccccc2)ncc1Br)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccccc3)CC2)ncc1Br)C#N

Cc1cc(cc(C)c1Oc1ccnc(NCCC(=O)Nc2ccc(cc2Cl)S(N)(=O)=O)n1)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3Cl)C(O)=O)CC2)ncc1Br)C#N

Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(Cc3ccc(cc3Cl)S(N)(=O)=O)CC2)n1)C#N

Cc1cc(cc(c1Oc2ccnc(n2)NC3CCN(CC3)Cc4ccc(cc4)S(=O)(=O)C)C)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)C#N)CC2)ncc1Br)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(CC2)c2ccccc2)ncc1Br)C#N

Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(Cc3ccccc3)CC2)n1)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(Cl)cc3)CC2)ncc1Br)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3Cl)C#N)CC2)ncc1Br)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3cccc(Cl)c3)CC2)ncc1Br)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3Cl)S(C)(=O)=O)CC2)ncc1Br)C#N

COc1ccc(OCCC#Cc2cn([C@@H]3O[C@H](CO)C=C3)c(=O)[nH]c2=O)c(CCNC(=S)Nc2ccc(Br)cn2)c1 |r,c:19|

COc1ccc(OCCOCCOCCOCCOCC#Cc2cn([C@@H]3O[C@H](CO)C=C3)c(=O)[nH]c2=O)c(CCNC(=S)Nc2ccc(Br)cn2)c1 |r,c:30|

COC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@H](C=C1)n1cc(C#CCOCCOCCOCCOCCOc2ccc(OC)cc2CCNC(=S)Nc2ccc(Br)cn2)c(=O)[nH]c1=O)Oc1ccc(C)cc1 |r,c:14|

COc1ccc(OCCOCCOCC#Cc2cn([C@@H]3O[C@H](CO)C=C3)c(=O)[nH]c2=O)c(CCNC(=S)Nc2ccc(Br)cn2)c1 |r,c:24|

COc1ccc(OCCOCC#Cc2cn([C@@H]3O[C@H](CO)C=C3)c(=O)[nH]c2=O)c(CCNC(=S)Nc2ccc(Br)cn2)c1 |r,c:21|

COc1c(Oc2ccnc(Nc3ccc(cc3)C#N)n2)ccc2cc(ccc12)C#N

Brc1cc2cc(ccc2cc1Oc1ccnc(Nc2ccc(cc2)C#N)n1)C#N

COc1cc2cc(ccc2c(OC)c1Oc1ccnc(Nc2ccc(cc2)C#N)n1)C#N

N#Cc1ccc(Nc2nccc(Oc3ccc4cc(ccc4c3)C#N)n2)cc1

COc1cc2cc(ccc2cc1Oc1ccnc(Nc2ccc(cc2)C#N)n1)C#N

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

[H][C@@]12C3C=CC(C4CC34)[C@]1([H])C(=O)N(NC(=O)c1ccc(Cn3cnc4ccccc34)cc1)C2=O |r,c:3,TLB:7:8:3.4:1.9,7:6:3.4:1.9,THB:11:9:3.4:8.6|

C[C@@H]1Oc2ccc3c(C)cc(=O)oc3c2[C@@H](OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C |r,TLB:40:39:42:35.36,25:24:27:20.21|

Cc1cc(=O)oc2c3[C@@H](OC(=O)[C@]45CC[C@](C)(C(=O)O4)C5(C)C)[C@@H](OC(=O)[C@]45CC[C@](C)(C(=O)O4)C5(C)C)C(C)(C)Oc3ccc12 |r,TLB:33:32:35:28.29,18:17:20:13.14|

Cc1cc(cc(C)c1Oc1nc(NC2CCN(CC2)c2cccc(c2)S(N)(=O)=O)ncc1Br)C#N

Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(CC2)c2cccc(c2)S(N)(=O)=O)n1)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(CC2)c2cccc(c2)C(N)=O)ncc1Br)C#N

Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(CC2)c2cccc(c2)S(C)(=O)=O)n1)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(CC2)c2cccc(c2)C#N)ncc1Br)C#N

Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(CC2)c2cccc(c2)C#N)n1)C#N

Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(CC2)c2cc(Cl)cc(c2)C(N)=O)n1)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(CC2)c2cccc(c2)C(N)=O)ncc1Cl)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(CC2)c2cccc(c2)C(N)=O)ncc1F)C#N

Cc1cnc(NC2CCN(CC2)c2cccc(c2)C(N)=O)nc1Oc1c(C)cc(cc1C)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(CC2)c2cccc(c2)C(N)=O)ncc1N)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(CC2)c2cccc(c2)C(N)=O)ncc1[N+]([O-])=O)C#N

Cc1cc(cc(Cl)c1Oc1nc(NC2CCN(CC2)c2cccc(c2)C(N)=O)ncc1Cl)C#N

COc1cc(cc(C)c1Oc1ccnc(NC2CCN(CC2)c2cccc(c2)C(N)=O)n1)C#N

COc1cc(cc(C)c1Oc1nc(NC2CCN(CC2)c2cccc(c2)C(N)=O)ncc1Cl)C#N

COc1cc(cc(C)c1Oc1nc(NC2CCN(CC2)c2cccc(c2)C(N)=O)ncc1C)C#N

Cc1cc(cc(C)c1Nc1ccnc(NC2CCN(CC2)c2cccc(c2)C(N)=O)n1)C#N

Cc1cc(cc(c1Oc2ccnc(n2)NC3CCN(CC3)c4ccc(cc4)S(=O)(=O)N)C)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(CC2)c2cccc(c2)S(C)(=O)=O)ncc1Br)C#N

Cc1cc(cc(Cl)c1Nc1nc(NC2CCN(CC2)c2cccc(c2)C(N)=O)ncc1Br)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(CC2)c2cc(ccc2Cl)C(N)=O)ncc1Br)C#N

Cc1cc(cc(Cl)c1Oc1nc(NC2CCN(CC2)c2cccc(c2)C(N)=O)ncc1Br)C#N

Cc1cc(cc(Cl)c1Nc1ccnc(NC2CCN(CC2)c2cccc(c2)C(N)=O)n1)C#N

Cc1cc(cc(F)c1Oc1nc(NC2CCN(CC2)c2cccc(c2)C(N)=O)ncc1Br)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(CC2)c2ccccc2C(N)=O)ncc1Br)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(CC2)c2cccc(c2)C(O)=O)ncc1Br)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(CC2)c2cccc(c2)C(N)=O)ncc1C(F)(F)F)C#N

Cc1cc(cc(Cl)c1Oc1ccnc(NC2CCN(CC2)c2cccc(c2)C(N)=O)n1)C#N

COc1cc(cc(C)c1Oc1nc(NC2CCN(CC2)c2cccc(c2)C(N)=O)ncc1Br)C#N

Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(CC2)c2cccc(c2)C(N)=O)n1)C#N

Cc1cc(cc(C)c1Nc1nc(NC2CCN(CC2)c2cccc(c2)C(N)=O)ncc1Br)C#N

Cc1cc(cc(C)c1Oc1nc(NC2CCN(CC2)c2ccc(cc2)C(N)=O)ncc1Br)C#N

Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(CC2)c2ccc(Cl)c(c2)C(N)=O)n1)C#N

Cc1cnc(NC2CCN(CC2)c2cccc(c2)C(N)=O)nc1Oc1c(C)cc(cc1Cl)C#N

NCc1ccc(cc1)-c1cccc(Cc2cc(=O)n(O)c3ncccc23)c1

NCc1ccc(cc1)-c1cccc(c1)-c1cc(=O)n(O)c2ncccc12

On1c2ncccc2c(cc1=O)-c1cccc(c1)-c1ccccc1

NCc1ccc(cc1)-c1ccc(Cc2cc(=O)n(O)c3ncccc23)cc1

NCc1cccc(c1)-c1cccc(c1)-c1cc(=O)n(O)c2ncccc12

On1c2ncccc2ccc1=O

NCc1ccccc1-c1cccc(c1)-c1cc(=O)n(O)c2ncccc12

CCOC(=O)c1c(O)c2cccnc2n(O)c1=O

CN(Cc1ccc2OCCc2c1)c1nc(O)nc(Nc2c(C)cccc2-c2ccccc2)n1

CN(Cc1ccc2occc2c1)c1nc(O)nc(Nc2c(F)cccc2-c2ccccc2)n1

COc1nc(NCc2ccc3occc3c2)nc(Nc2c(C)cccc2-c2ccccc2)n1

Cc1cccc(-c2ccccc2)c1Oc1nc(O)nc(NCc2ccc3occc3c2)n1

CN(Cc1ccc2OCOc2c1)c1nc(O)nc(Nc2c(C)cccc2-c2ccccc2)n1

CN(Cc1ccc2occc2c1)c1nc(O)nc(Nc2c(F)cc(F)cc2-c2ccccc2)n1

CCN(Cc1ccc2occc2c1)c1nc(O)nc(Nc2c(F)cccc2-c2ccccc2)n1

CN(Cc1ccc2occc2c1)c1nc(O)nc(Nc2ccccc2N2CCOCC2)n1

CN(c1nc(O)nc(NCc2ccc3occc3c2)n1)c1c(C)cccc1-c1ccccc1

Cc1cccc(-c2ccccc2)c1Nc1nc(O)nc(NCc2ccc3n(ccc3c2)S(C)(=O)=O)n1

Cc1cccc(-c2ccccc2)c1Nc1nc(O)nc(NCc2ccc3cc[nH]c3c2)n1

Oc1nc(NCc2ccc3cc[nH]c3c2)nc(Nc2cccc(Oc3ccccc3)c2)n1

Oc1nc(NCc2ccc3cc[nH]c3c2)nc(Nc2ccccc2-c2ccccc2)n1

Fc1cccc(-c2ccccc2)c1Nc1nc(Cl)nc(NCc2ccc3occc3c2)n1

Cc1cccc(-c2ccccc2)c1Nc1nc(O)nc(OCc2ccc3occc3c2)n1

Cc1cccc(-c2ccccc2)c1Nc1nc(O)nc(NCc2ccc3OCCCOc3c2)n1

CN(Cc1ccc2occc2c1)c1nc(O)nc(Nc2c(C)cccc2-c2ccoc2)n1

CN(Cc1ccc2occc2c1)c1nc(O)nc(Nc2c(C)cccc2-c2ccccc2)n1

Oc1nc(NCc2ccc3occc3c2)nc(Nc2c(F)cccc2-c2ccccc2)n1

CC(C)(Nc1nc(O)nc(Nc2c(F)cccc2-c2ccccc2)n1)c1ccc2OCOc2c1

Oc1nc(NCc2ccc3cc[nH]c3c2)nc(Nc2cccc(Br)c2)n1

Cc1cccc(-c2ccccc2)c1Oc1nc(N)nc(NCc2ccc3occc3c2)n1

Cc1cccc(-c2ccccc2)c1Nc1nc(O)nc(NCc2ccc3occc3c2)n1

Cc1cn([C@@H]2O[C@](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C=C2)C#C)c(=O)[nH]c1=O |r,c:21|

CC(=O)COC(=O)c1ccc(o1)[N+]([O-])=O

CC(C)(C)C(=O)COC(=O)c1ccc(o1)[N+]([O-])=O

CC(C)(C)NC(=O)COC(=O)c1cccc(c1)[N+]([O-])=O

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

CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccco1

CC(C)(C)NC(=O)COC(=O)c1ccc(o1)C(=O)c1ccccc1

CC(C)(C)NC(=O)COC(=O)c1ccno1

CC(C)(C)NC(=O)COC(=O)c1ccc(o1)-c1cccc(c1)[N+]([O-])=O

CC(C)(C)NC(=O)COC(=O)c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O

CCC(C)(C)NC(=O)COC(=O)c1ccc(s1)[N+]([O-])=O

CCC(C)(C)N(Cc1ccc(cc1)[N+]([O-])=O)C(=O)COC(=O)c1ccc(s1)[N+]([O-])=O

COC(=O)CNC(=O)c1ccc(o1)[N+]([O-])=O

CCOC(=O)[C@H](C)NC(=O)c1ccc(o1)[N+]([O-])=O |r|

CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(o1)[N+]([O-])=O |r|

CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(o1)[N+]([O-])=O |r|

CCOC(=O)[C@@H](NC(=O)c1ccc(o1)[N+]([O-])=O)c1ccccc1 |r|

CC(C)OC(=O)COC(=O)c1ccc(o1)[N+]([O-])=O

CC(C)(NC(=O)COC(=O)c1ccc(o1)[N+]([O-])=O)c1ccccc1

CC(C)(Cc1ccccc1)NC(=O)COC(=O)c1ccc(o1)[N+]([O-])=O

[O-][N+](=O)c1ccc(o1)C(=O)OCC(=O)NCC1CCCO1

[O-][N+](=O)c1ccc(o1)C(=O)OCC(=O)NC1CCCc2ccccc12

CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc(o1)[N+]([O-])=O

CC(C)(C)N(CCCc1ccccc1)C(=O)COC(=O)c1ccc(o1)[N+]([O-])=O

CC(C)(C)N(CCC(=O)c1ccccc1)C(=O)COC(=O)c1ccc(o1)[N+]([O-])=O

CC(C)(C)N(Cc1ccc(cc1)[N+]([O-])=O)C(=O)COC(=O)c1ccc(o1)[N+]([O-])=O

COc1ccc(CN(C(=O)COC(=O)c2ccc(o2)[N+]([O-])=O)C(C)(C)C)cc1

CC(C)(C)N(Cc1ccc(F)cc1)C(=O)COC(=O)c1ccc(o1)[N+]([O-])=O

CC(C)(C)N(Cc1ccc(cc1)C(F)(F)F)C(=O)COC(=O)c1ccc(o1)[N+]([O-])=O

CC(C)(C)N(Cc1cccc(c1)C(F)(F)F)C(=O)COC(=O)c1ccc(o1)[N+]([O-])=O

CC(C)(C)N(Cc1c(F)c(F)c(F)c(F)c1F)C(=O)COC(=O)c1ccc(o1)[N+]([O-])=O

[O-][N+](=O)c1ccc(o1)C(=O)OCCc1ccc(cc1)[N+]([O-])=O

[O-][N+](=O)c1ccc(o1)C(=O)OCC(=O)NC1Cc2ccccc2C1

CC(=O)Oc1ccccc1CN(C(=O)COC(=O)c1ccc(o1)[N+]([O-])=O)C(C)(C)C

[O-][N+](=O)c1ccc(o1)C(=O)OCC(=O)N(CC1CCCO1)Cc1ccccc1

CC(C)(C)NC(=O)COC(=O)c1ccc(Br)o1

CCC(C)(C)NC(=O)COC(=O)c1ccc(o1)[N+]([O-])=O

[O-][N+](=O)c1ccc(o1)C(=O)OCC(=O)NC1CCc2ccccc12

CC(C)(C)N(CCc1ccccc1)C(=O)COC(=O)c1ccc(o1)[N+]([O-])=O

CC(C)(C)N(Cc1cccc(c1)[N+]([O-])=O)C(=O)COC(=O)c1ccc(o1)[N+]([O-])=O

CC(C)(C)N(Cc1ccc(OCc2ccccc2)cc1)C(=O)COC(=O)c1ccc(o1)[N+]([O-])=O

CC(C)(C)N(Cc1ccccc1C(F)(F)F)C(=O)COC(=O)c1ccc(o1)[N+]([O-])=O

CC(C)(C)NC(=O)COC(=O)c1ccc(o1)-c1ccccc1[N+]([O-])=O

CC(C)(C)NC(=O)COC(=O)c1ccc(s1)[N+]([O-])=O

CC(C)(C)C(=O)COC(=O)c1ccc(s1)[N+]([O-])=O

CCOC(=O)[C@H](CC(C)C)NC(=O)c1ccc(o1)[N+]([O-])=O |r|

CN(OC(=O)c1ccc(o1)[N+]([O-])=O)C(=O)c1ccc(o1)[N+]([O-])=O

Oc1ccc(CN(CC2CCCO2)C(=O)COC(=O)c2ccc(o2)[N+]([O-])=O)cc1

CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O

CC(C)(C)NC(=O)COC(=O)c1ccc(o1)[N+]([O-])=O

CC(=O)Oc1ccc(CN(C(=O)COC(=O)c2ccc(o2)[N+]([O-])=O)C(C)(C)C)cc1

CCC(C)(C)N(Cc1cccc(c1)[N+]([O-])=O)C(=O)COC(=O)c1ccc(s1)[N+]([O-])=O

CC(=O)COC(=O)c1ccc(s1)[N+]([O-])=O

CC(C)(C)NC(=O)COC(=O)c1ccccc1[N+]([O-])=O

O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CNCc1ccc(Cl)cc1)n1ccc(=O)[nH]c1=O |r|

O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CNCc1c(F)cccc1Cl)n1cc(F)c(=O)[nH]c1=O |r|

O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CNCc1ccccc1Cl)n1cc(F)c(=O)[nH]c1=O |r|

O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CNCc1c(F)cccc1Cl)n1ccc(=O)[nH]c1=O |r|

O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CNCc1ccc(Cl)cc1)n1cc(F)c(=O)[nH]c1=O |r|

O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CNCc1ccccc1Cl)n1ccc(=O)[nH]c1=O |r|

O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CNCc1c(Cl)cccc1Cl)n1ccc(=O)[nH]c1=O |r|

O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CNCc1c(Cl)cccc1Cl)n1cc(F)c(=O)[nH]c1=O |r|

CC(C)c1c(Cc2ccc(F)cc2)n(COCc2ccccc2)c(=O)n(O)c1=O

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

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

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

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

CCc1c(Cc2ccccc2)n(COCc2ccccc2)c(=O)n(O)c1=O

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

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

Cc1cn([C@@H]2O[C@@](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C=C)C=C2)c(=O)[nH]c1=O |r,c:23|

CONC(=S)N\N=C1/C(=O)N(CN2CCN(CC2)c2ccc(Cl)cc2)c2ccc(Cl)cc12

CONC(=S)N\N=C1/C(=O)N(CN2CCN(CC2)c2ccc(Cl)cc2)c2ccc(F)cc12

CONC(=S)N\N=C1/C(=O)N(CN2CCN(CC2)c2ccc(Cl)cc2)c2ccc(C)cc12

Cc1ccc2N(CN3CCN(CC3)c3ccc(Cl)cc3)C(=O)\C(=N/NC(=S)NO)c2c1

CC1C(=O)N(O)C(=O)c2ccccc12

CCCCC1C(=O)N(O)C(=O)c2ccccc12

CCCCCC1C(=O)N(O)C(=O)c2ccccc12

CCCCCCc1c(O)n(O)c(=O)c2ccccc12

CCCCCCCc1c(O)n(O)c(=O)c2ccccc12

Oc1c(Cc2ccccc2)c2ccccc2c(=O)n1O

ON1C(=O)C(Cc2ccc(cc2)C(F)(F)F)c2ccccc2C1=O

Cc1ccc(CC2C(=O)N(O)C(=O)c3ccccc23)cc1

CCC1C(=O)N(O)C(=O)c2ccccc12

CCCCCCC1C(=O)N(O)C(=O)c2ccccc12

ON1C(=O)C(CCCc2ccccc2)c2ccccc2C1=O

CC(C)C1C(=O)N(O)C(=O)c2ccccc12

CCCC1C(=O)N(O)C(=O)c2ccccc12

Nc1ncnc2n(cnc12)[C@H]1C[C@H](N=[N+]=[N-])[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 |r|

Nc1ccn([C@H]2CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1 |r|

C[C@H](Cn1cnc2c(N)ncnc12)OCP(O)(=O)OP(O)(=O)OP(O)(O)=O |r|

Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1

Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](N=[N+]=[N-])[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 |r|

CC(=O)c1ccccc1OCC(=O)Nc1ccccc1C

Cc1ccccc1OCC(=O)Nc1ccc(cc1)S(N)(=O)=O

Brc1ccc(NC(=S)NCCc2ccccc2)nc1

NS(=O)(=O)c1ccc(NC(=O)CSc2nc[nH]n2)cc1

Cc1ccc(cc1)-n1cnnc1SCC(=O)Nc1ccccc1

NS(=O)(=O)c1ccc(NC(=O)CSc2nncn2-c2ccccc2)cc1

NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1

O=C(CSc1nncn1-c1ccccc1)Nc1ccccc1

NC(=S)NCCc1ccccc1

S=C(NCCc1ccccc1)Nc1ccccn1

CCc1c(c(n(n1)CCO)CC)Oc2cc(cc(c2)C#N)C#N

CC(C)C1=C(Sc2ccccc2)C(COCCO)C(=O)NC1=O |c:3|

CC1=C(Sc2ccccc2)C(COCc2ccccc2)C(=O)NC1=O |c:1|

CCOCC1C(=O)NC(=O)C(CC)=C1Sc1cc(C)cc(C)c1 |c:12|

CCOCC1C(=S)NC(=O)C(CC)=C1Sc1cc(C)cc(C)c1 |c:12|

CCC1=C(Sc2ccccc2)C(COC2CCCCC2)C(=S)NC1=O |c:2|

CCC1=C(Sc2ccccc2)C(COCc2ccc(Cl)cc2)C(=S)NC1=O |c:2|

CCC1=C(Sc2ccccc2)C(COCCc2ccccc2)C(=S)NC1=O |c:2|

CC1=C(Sc2cccc(c2)C(F)(F)F)C(COCCO)C(=O)NC1=O |c:1|

CC1=C(Sc2cccc(Cl)c2)C(COCCO)C(=O)NC1=O |c:1|

CC1=C(Sc2cccc(I)c2)C(COCCO)C(=O)NC1=O |c:1|

CC1=C(Sc2cccc(O)c2)C(COCCO)C(=O)NC1=O |c:1|

CC1=C(Sc2cc(C)cc(C)c2)C(COCCO)C(=O)NC1=O |c:1|

CC1=C(Sc2cc(Cl)cc(Cl)c2)C(COCCO)C(=O)NC1=O |c:1|

CC(C)C1=C(Sc2cc(C)cc(C)c2)C(COCCO)C(=O)NC1=O |c:3|

CCOCC1C(=O)NC(=O)C(CC)=C1Sc1cc(Cl)cc(Cl)c1 |c:12|

CC1=C(Sc2cccc(F)c2)C(COCCO)C(=O)NC1=O |c:1|

CCC1=C(Sc2cc(C)cc(C)c2)C(COCCO)C(=O)NC1=O |c:2|

CCOCC1C(=S)NC(=O)C(CC)=C1Sc1ccccc1 |c:12|

CCC1=C(Sc2ccccc2)C(COCC2CCCCC2)C(=S)NC1=O |c:2|

COc1cccc(SC2=C(C)C(=O)NC(=O)C2COCCO)c1 |c:8|

CCC1=C(Sc2ccccc2)C(COCc2ccc(C)cc2)C(=S)NC1=O |c:2|

CC1=C(Sc2cccc(c2)[N+]([O-])=O)C(COCCO)C(=O)NC1=O |c:1|

CCOCC1C(=O)NC(=O)C(CC)=C1Sc1ccccc1 |c:12|

CC1=C(Sc2cccc(Br)c2)C(COCCO)C(=O)NC1=O |c:1|

CCc1c(C(=O)c2ccccc2)n(COCc2ccc(F)cc2)c(=O)n(O)c1=O

CCc1c(C(=O)c2cc(C)cc(C)c2)n(COCc2ccc(F)cc2)c(=O)n(O)c1=O

CCOCn1c(C(=O)c2ccccc2)c(CC)c(=O)n(O)c1=O

CCOCn1c(C(=O)c2cc(C)cc(C)c2)c(CC)c(=O)n(O)c1=O

CCc1c(C(=O)c2ccccc2)n(COCc2ccccc2)c(=O)n(O)c1=O

CCc1c(C(=O)c2cc(C)cc(C)c2)n(COCCc2ccc(F)cc2)c(=O)n(O)c1=O

CCc1c(C(=O)c2cc(C)cc(C)c2)n(COCc2ccccc2)c(=O)n(O)c1=O

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(cc12)[N+]([O-])=O)C(=O)NCCN1CCOCC1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(cc12)[N+]([O-])=O)C(=O)NCCc1ccccc1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)c(F)c12)C(=O)NCCOc1ccccc1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)c(F)c12)C(=O)NCN1CCOCC1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCCN1CCCC1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCCN1CCOCC1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Br)cc12)C(=O)NCCc1ccccc1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Br)cc12)C(=O)NCN1CCOCC1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(cc12)[N+]([O-])=O)C(=O)NCCN1CCCC1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Br)cc12)C(=O)NCN1CCCC1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCN1CCCC1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCN1CCCCC1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(cc12)[N+]([O-])=O)C(=O)NCCOc1ccccc1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(cc12)[N+]([O-])=O)C(=O)NCN1CCCCC1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Br)cc12)C(=O)NCc1ccccc1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(cc12)[N+]([O-])=O)C(=O)NCc1ccccc1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Br)cc12)C(=O)NCCN1CCCC1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)c(F)c12)C(=O)NCCN1CCCC1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Br)cc12)C(=O)NCCN1CCOCC1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccccc1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCCOc1ccccc1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Br)cc12)C(=O)NCCOc1ccccc1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCCn1cccc1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(cc12)[N+]([O-])=O)C(=O)NCCn1cccc1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCN1CCOCC1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)c(F)c12)C(=O)NCCN1CCOCC1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)c(F)c12)C(=O)NCCn1cccc1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Br)cc12)C(=O)NCN1CCCCC1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(cc12)[N+]([O-])=O)C(=O)NCN1CCOCC1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)c(F)c12)C(=O)NCc1ccccc1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(cc12)[N+]([O-])=O)C(=O)NCN1CCCC1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccccc1

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=C3)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(C)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|

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|

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

CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12 |r|

[H][C@]12[C@@H](CC[C@]1(COC(C)=O)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C |r|

[H][C@@]12CC=C3C(=CC[C@@]4(C)[C@]5([H])C[C@](C)(COC(=O)c6ccccc6)CC[C@]5(C)CC[C@]34C)[C@@]1(C)CC[C@@H](O)C2(C)C |r,c:3,5|

[H][C@@]1(CC[C@@]2(C)[C@]3([H])CC[C@]4([H])[C@]5(C[C@@]35CC[C@]12C)CC[C@H](OC(=O)\C=C\c1ccc(O)c(OC)c1)C4(C)C)[C@H](C)CCC(=C)C(C)C |r|

[H][C@@]1([#6]-[#6][C@@]2([#6])[C@]3([H])[#6]-[#6][C@]4([H])[C@]5([#6][C@@]35[#6]-[#6][C@]12[#6])[#6]-[#6]-[#6@H](-[#8]-[#6](=O)\[#6]=[#6]\c1ccc(-[#8])c(-[#8]-[#6])c1)C4([#6])[#6])[#6@H](-[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]

[H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)(O)CS(=O)(=O)CC |r|

[H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)(O)CS(=O)(=O)c1ccccc1 |r|

[H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)(O)CN1CCCCC1 |r|

[H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)(O)CSc1ccccc1 |r|

[H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)(O)CSCc1ccccc1 |r|

[H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)(O)Cn1ccnc1 |r|

[H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)(O)CSCC |r|

[H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)(O)CNCc1ccccc1F |r|

[H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)(O)CNc1ccccc1 |r|

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

[H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)NCc1ccccc1 |r|

[H][C@@]1(CCc2c(C1)c(C)cc(OC(C)=O)c(=O)c2OC(C)=O)C(C)(O)CO |r|

[H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)(O)CN(CC)CC |r|

[H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)O |r|

[H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)(O)C[S+]([O-])c1ccccc1 |r|

CC(=C)[C@H]1CCc2c(C1)c(C)cc(O)c(=O)c2O |r|

CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2ccc(F)cc2Cl)cc1

CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2ccc(Br)cc2)cc1

CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2ccccc2)cc1

CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2c(Cl)cccc2Cl)cc1

CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(COc2cccc(Cl)c2)cc1

CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2ccc(F)cc2)cc1

CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(COc2ccccc2)cc1

Clc1cc(Oc2cc(OCc3cc([nH]n3)-c3ccccc3)ccc2Cl)cc(c1)C#N

Clc1cc(Oc2cc(OCc3cc([nH]n3)-c3cccnc3)ccc2Cl)cc(c1)C#N

Clc1cc(Oc2cc(OCc3cc([nH]n3)-c3cccs3)ccc2Cl)cc(c1)C#N

Clc1cc(Oc2cc(OCc3cc(no3)-c3ccccc3)ccc2Cl)cc(c1)C#N

Clc1cc(Oc2cc(OCc3cc(on3)-c3ccccc3)ccc2Cl)cc(c1)C#N

Clc1ccc(cc1)-c1cnc(COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)o1

Clc1ccc(cc1)-c1nnc(COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)o1

COc1ccc(cc1)-c1nnc(COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)o1

Clc1cc(Oc2cc(OCc3nc(no3)-c3ccccn3)ccc2Cl)cc(c1)C#N

Clc1cc(Oc2cc(OCc3nc(no3)-c3ccccc3)ccc2Cl)cc(c1)C#N

Clc1cc(Oc2cc(OCc3cc([nH]n3)-c3ccncc3)ccc2Cl)cc(c1)C#N

Clc1cc(Oc2cc(OCc3cc([nH]n3)-c3ccccn3)ccc2Cl)cc(c1)C#N

Clc1cc(Oc2cc(OCc3cc([nH]n3)-c3ccco3)ccc2Cl)cc(c1)C#N

Clc1cc(Oc2cc(OCc3cc[nH]n3)ccc2Cl)cc(c1)C#N

Cn1cc(cn1)-c1cc(COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)n[nH]1

Clc1c(COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)n[nH]c1-c1ccccn1

[O-][n+]1ccc(cc1)-c1cc(COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)n[nH]1

Clc1c(COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)n[nH]c1-c1ccc(cc1)-c1nnn[nH]1

Clc1ccc(cc1)-c1noc(COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)n1

Clc1cc(Oc2cc(OCc3cc([nH]n3)-c3ccc(cc3)C#N)ccc2Cl)cc(c1)C#N

Clc1cc(Oc2cc(OCc3n[nH]cc3-c3ccccc3)ccc2Cl)cc(c1)C#N

COc1ccc(cc1)-c1noc(COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)n1

Clc1cc(Oc2cc(OCc3cn(nn3)-c3ccccc3)ccc2Cl)cc(c1)C#N

Clc1c(COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)n[nH]c1-c1ccncc1

CCc1c(CN2CCCc3ccccc23)nc(SCC(=O)c2ccccc2)[nH]c1=O

Clc1ccccc1-c1nc2ccc3ccccc3n2c1NC1CCCCC1

Cc1c(Br)ccc2nc(c(NC3CCCCC3)n12)-c1ccccc1Cl

Clc1ccccc1-c1nc2ccc(Br)cn2c1NC1CCCCC1

Clc1ccccc1-c1nc2cccc(C#N)n2c1NC1CCCCC1

Cc1cccc2nc(c(NC3CCCCC3)n12)-c1ccccc1Cl

Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccccc1Cl

Clc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccccc1Cl

Clc1ccccc1-c1nc2cccc(Br)n2c1NC1CCCCC1

Fc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccccc1Cl

Cc1cccn2c(NC3CCCCC3)c(nc12)-c1ccccc1Cl

Clc1ccccc1-c1nc2ccc(cn2c1NC1CCCCC1)C#N

Clc1ccccc1-c1nc2cccc(Cl)n2c1NC1CCCCC1

Clc1ccccc1-c1nc2ccccn2c1NC1CCCCC1

C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O

Nc1ncnc2n(cnc12)[C@@H]1C[C@@H](N=[N+]=[N-])[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 |r|

CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O

Nc1nc(O)c2ncn([C@@H]3C[C@@H](N=[N+]=[N-])[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O3)c2n1 |r|

Nc1nc(N)c2ncn([C@@H]3C[C@@H](N=[N+]=[N-])[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O3)c2n1 |r|

C[C@H](Cn1cnc2c(N)ncnc12)OCP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O |r|

Nc1ncnc2n(CCOCP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)cnc12

Nc1ncnc2n(CCOCP([S-])(=O)OP([O-])(=O)OP([O-])([O-])=O)cnc12

C[C@H](Cn1cnc2c(N)ncnc12)OCP([S-])(=O)OP([O-])(=O)OP([O-])([O-])=O |r|

COC(=O)c1ccc(NC(=O)CSc2ncnn2-c2ccc(Cl)cc2Cl)c(Br)c1

CCOC(=O)c1ccc(NC(=O)CSc2ncnn2-c2ccc(Cl)cc2Cl)c(Br)c1

[O-][N+](=O)c1ccccc1NC(=O)CSc1ncnn1-c1ccc(Cl)cc1Cl

Cc1cc(C)c(Nc2ccc(=O)n(Nc3ccc(cc3)C#N)n2)c(C)c1

Cc1cc(C)c(Oc2ccc(=O)n(Nc3ccc(cc3)C#N)n2)c(C)c1

Cc1cc(C)c(Nc2ccc(=O)n(Nc3ccc(cc3)C#N)c2)c(C)c1

Cc1cc(C)c(Oc2nn(Nc3ccc(cc3)C#N)c(=O)c3ccccc23)c(C)c1

Cc1ccc(OCCn2ccc(=O)[nH]c2=O)c(Cc2ccccc2)c1

Cc1cc(C)cc(c1)C(=O)c1cc(Cl)ccc1OCCn1c(C)cc(=O)[nH]c1=O

Cc1cc(C)cc(Cc2cc(Cl)ccc2OCCn2ccc(=O)[nH]c2=O)c1

Cc1cc(C)cc(Cc2cc(Br)ccc2OCCn2ccc(=O)[nH]c2=O)c1

Fc1ccc(OCCn2ccc(=O)[nH]c2=O)c(c1)C(=O)c1ccccc1

Clc1ccc(OCCn2ccc(=O)[nH]c2=O)c(c1)C(=O)c1ccccc1

Cc1cccc(c1)C(=O)c1cc(Cl)ccc1OCCn1ccc(=O)[nH]c1=O

Cc1cc(C)cc(c1)C(=O)c1cc(Cl)ccc1OCCn1ccc(=O)[nH]c1=O

Cc1cc(C)cc(c1)C(=O)c1cc(Br)ccc1OCCn1ccc(=O)[nH]c1=O

Cc1cc(C)cc(c1)C(=O)c1cc(Cl)ccc1OCCn1cc(C)c(=O)[nH]c1=O

Cc1cc(C)cc(c1)C(O)c1cc(Cl)ccc1OCCn1ccc(=O)[nH]c1=O

Brc1ccc(OCCn2ccc(=O)[nH]c2=O)c(c1)C(=O)c1ccccc1

Cc1cc(C)cc(c1)C(=O)c1cc(Cl)ccc1OCCCn1ccc(=O)[nH]c1=O

Cc1ccc(OCCn2ccc(=O)[nH]c2=O)c(Cc2cc(C)cc(C)c2)c1

Cc1ccc(OCCn2ccc(=O)[nH]c2=O)c(c1)C(=O)c1ccccc1

Cc1ccc(OCCn2ccc(=O)[nH]c2=O)c(c1)C(=O)c1cc(C)cc(C)c1

Fc1cc(F)cc(c1)C(=O)c1cc(Cl)ccc1OCCn1ccc(=O)[nH]c1=O

Clc1cc(Cl)cc(c1)C(=O)c1cc(Br)ccc1OCCn1ccc(=O)[nH]c1=O

Cc1cccc(Cc2cc(C)ccc2OCCn2ccc(=O)[nH]c2=O)c1

Clc1ccc(OCCn2ccc(=O)[nH]c2=O)c(c1)C(=O)c1cc(Br)cc(Br)c1

Clc1ccc(OCCn2ccc(=O)[nH]c2=O)c(c1)C(=O)c1cc(Cl)cc(Cl)c1

Oc1c(\C=N\NS(=O)(=O)c2ccc(Cl)cc2)cccc1[N+]([O-])=O

COc1cc(\C=N\NC(=O)c2ccccc2OC)ccc1O

COc1ccc(cc1)S(=O)(=O)N\N=C\c1cccc(c1O)[N+]([O-])=O

Oc1ccc(Cl)cc1\C=N\NC(=S)Nc1ccc(F)cc1

Cc1ccc(cc1)S(=O)(=O)N\N=C\c1cc(Cl)ccc1O

COc1cc(\C=N\NS(=O)(=O)c2ccc(C)cc2)cc(c1O)[N+]([O-])=O

C\C(=N/NS(=O)(=O)c1ccc(C)cc1)c1c(O)cc(C)oc1=O

Cc1ccc(cc1)S(=O)(=O)N\N=C1/C(=O)Nc2cc(O)c(cc12)C(O)=O

CC1=CC(=O)\C(=C\Nc2nc(cs2)-c2cccc(c2)[N+]([O-])=O)C(=O)O1 |t:1|

Oc1cccc(\C=C2\SC(=S)N(Cc3ccco3)C2=O)c1O

Cc1ccc(cc1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl)[N+]([O-])=O

Cc1ccc(cc1)S(=O)(=O)N\N=C1\C(=O)Nc2c1cc(Cl)cc2Cl

Oc1ccc(cc1O)-c1csc(N\N=C2/C(=O)Nc3ccccc23)n1

O=C(N\N=C\c1ccc2OCOc2c1)c1ccc2OCOc2c1

Nc1cccc(c1)C(=O)N\N=C\c1ccc(o1)[N+]([O-])=O

Nc1ccc(cc1)S(=O)(=O)N\N=C\c1ccc2OCOc2c1

COc1cc(ccc1O)C(=O)N\N=C\c1cccc2ccccc12

Oc1ccc(Cl)cc1\C=N\NC(=O)c1ccncc1

Oc1ccc2ccccc2c1\C=N\NC(=O)c1ccccc1

COc1ccc(\C=N\NC(=O)c2ccc(O)c(CN(C)C)c2)cc1

COc1ccc(CCNC(=O)C(=O)c2c[nH]c3ccccc23)cc1OC

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

COc1ccccc1Nc1nc(cs1)-c1ccc(O)c(O)c1

Oc1c(\C=N\NS(=O)(=O)c2ccc(Cl)cc2)cc(I)cc1[N+]([O-])=O

COc1ccc(cc1)S(=O)(=O)N\N=C\c1cc(ccc1O)[N+]([O-])=O

CNc1ccccc1C(=O)N\N=C\c1c(O)ccc2ccccc12

COc1ccccc1C(=O)N\N=C\c1cccc(c1)[N+]([O-])=O

Cc1ccc(cc1)S(=O)(=O)N\N=C\c1ccc(O)c(c1)S(O)(=O)=O

Oc1ccccc1Nc1nc(cs1)-c1ccc(o1)[N+]([O-])=O

Cc1ccc(cc1)S(=O)(=O)NNC(=O)c1nc2ccccc2c(=O)[nH]1

CCOc1ccc(\C=N\NC(=O)c2ccc(O)c(OC)c2)cc1OC

Cc1ccc(cc1)S(=O)(=O)N\N=C\c1cccc[n+]1[O-]

Cc1ccc(cc1)S(=O)(=O)NCN1C(=O)c2ccccc2C1=O

Oc1ccc(cc1O)-c1csc(Nc2ccccn2)n1

Oc1ccc(cc1)C(=O)N\N=C\c1cccc(c1)[N+]([O-])=O

COc1ccccc1C(=O)N\N=C\c1c(O)ccc2ccccc12

Cc1ccc(cc1)S(=O)(=O)N\N=C\c1c(O)ccc2ccccc12

Oc1ccc2ccccc2c1\C=N\NC(=S)N[C@@H]1CN2CCC1CC2 |r,wU:17.18,(-4.37,-12,;-5.7,-11.24,;-5.71,-9.68,;-7.05,-8.92,;-8.39,-9.69,;-9.72,-8.93,;-11.05,-9.7,;-11.05,-11.24,;-9.72,-12.01,;-8.38,-11.24,;-7.04,-12.01,;-7.04,-13.55,;-5.71,-14.32,;-5.7,-15.86,;-4.37,-16.62,;-3.04,-15.84,;-4.36,-18.16,;-3.02,-18.92,;-3.01,-20.46,;-1.68,-21.22,;-.35,-20.45,;-.35,-18.91,;-1.69,-18.14,;-2.33,-19.28,;-1.52,-19.81,)|

Oc1ccc(Cl)cc1\C=N\NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl

Oc1ccccc1C(=O)N\N=C\c1ccc(s1)[N+]([O-])=O

Oc1c(I)cc(cc1\C=N\NS(=O)(=O)c1ccc(Cl)cc1)[N+]([O-])=O

Oc1ccc(cc1\C=N\NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl)[N+]([O-])=O

COc1cc(\C=N\NS(=O)(=O)c2ccc(N)cc2)ccc1O

Cc1ccc(cc1)C(=O)N\N=C\c1c(O)ccc2ccccc12

COc1ccccc1\C=N\NC(=O)c1ccc(O)cc1

OC[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)n1cnc2c(NCCc3ccc(O)c(O)c3)ncnc12 |r|

Nc1ccc(cc1)S(=O)(=O)N\N=C\c1ccccc1[N+]([O-])=O

CCn1c2ccccc2c2cc(NC(=O)c3c(C)[nH]c(=O)[nH]c3=S)ccc12

COc1ccc(cc1)S(=O)(=O)N\N=C\c1cc(=O)[nH]c(=O)[nH]1

Cc1ccc(cc1)C(=O)N\N=C\c1ccccc1O

Oc1ccc(\C=N\N2CC(=O)N(CC2=O)c2cccc(c2)C(F)(F)F)cc1O

Oc1ccc(NC(=S)N\N=C2/C(=O)Nc3ccccc23)cc1

Clc1cc(Cl)c(cc1Cl)S(=O)(=O)NN\C=C1/C(=O)C=Cc2ccccc12 |c:19|

Oc1ccc(cc1\C=N\NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O)[N+]([O-])=O

COc1ccc(cc1OC)S(=O)(=O)N\N=C\c1cccc[n+]1[O-]

Oc1ccc(\C=N\NC(=O)c2ccccc2)cc1O

Nc1ccc(cc1)C(=O)Nc1ccc2c(O)cc(cc2c1)S(O)(=O)=O

CCCCCc1cc(C(=O)N\N=C(/C)c2ccc(O)c(OC)c2)c2ccccc2n1

[O-][N+](=O)c1ccc(cc1)S(=O)(=O)N\N=C\c1cccc2ccccc12

Oc1ccc2ccccc2c1\C=N\NC(=O)c1ccncc1

Oc1ccc(cc1)C(=O)N\N=C\c1ccc(O)cc1O

COc1ccccc1C(=O)N\N=C\c1c[nH]c2ccccc12

CNc1ccccc1C(=O)N\N=C\c1cccc(c1)[N+]([O-])=O

CC(=O)Nc1ccc(cc1)S(=O)(=O)N\N=C\c1c(O)ccc2ccccc12

Oc1ccc2ccccc2c1\C=C1\N=C(OC1=O)c1ccc(Cl)cc1 |c:15|

CCCCC(=O)N\N=C\c1cc(Cl)ccc1[N+]([O-])=O

[O-][N+](=O)c1ccc(s1)-c1nc(CN2CCOCC2)cs1

COc1cccc(C[C@H](C)NC[C@@H](O)c2ccc(O)c(O)c2)c1 |r|

COc1ccc(cc1)C(=O)N\N=C\c1cccc(c1)[N+]([O-])=O

COc1ccc(cc1)C(=O)N\N=C\c1cc(OC)ccc1O

COc1nc(NC2CCN(Cc3ccc(cc3)C#N)CC2)nc(Nc2c(C)cc(C)cc2C)n1

CNc1nc(NC2CCN(Cc3cccc(c3)C#N)CC2)nc(Nc2c(C)cc(C)cc2C)n1

CNc1nc(NC2CCN(Cc3ccccc3)CC2)nc(Nc2c(C)cc(C)cc2C)n1

Clc1ccc(\C=C2\N=C(N(Cc3ccncc3)C2=O)c2ccccc2)c(Cl)c1 |c:7|

CC1=N\C(=C\c2ccco2)C(=O)N1Cc1ccncc1 |t:1|

CC1=N\C(=C\c2ccc(Cl)cc2)C(=O)N1Cc1ccncc1 |t:1|

CC1=N\C(=C\c2ccccc2O)C(=O)N1Cc1ccncc1 |t:1|

Oc1c(C(=O)NCc2ccc(F)cc2)c2cccc(F)c2[nH]c1=O

Oc1c(C(=O)NCc2ccc(F)cc2)c2ccccc2[nH]c1=O

Oc1c(C(=O)NCc2ccc(F)cc2)c2cc(Cl)ccc2[nH]c1=O

Oc1c(C(=O)NCc2ccc(F)cc2)c2cc(F)ccc2[nH]c1=O

OC(=O)c1c(O)c(=O)[nH]c2ccc(Cl)cc12

OC(=O)c1c(O)c(O)nc2ccccc12

OC(=O)c1c(O)c(=O)[nH]c2ccc(cc12)[N+]([O-])=O

CCOC(=O)c1c(O)c(=O)[nH]c2ccc(F)cc12

COc1ccc(CNC(=O)c2c(O)c(=O)[nH]c3ccc(F)cc23)cc1

CCCCCCNC(=O)c1c(O)c(=O)[nH]c2c(F)cccc12

CCOC(=O)c1c(O)c(=O)[nH]c2ccc(N)cc12

CCOC(=O)c1c(O)c(O)nc2ccccc12

OC(=O)c1c(O)c(=O)[nH]c2c(F)cccc12

c1ccc2c(c1)C=C(C(=O)N2)O

CCOC(=O)c1c(O)c(=O)[nH]c2ccc(cc12)[N+]([O-])=O

CCOC(=O)c1c(O)c(=O)[nH]c2c(F)cccc12

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

COc1ccc(CNC(=O)c2c(O)c(=O)[nH]c3c(F)cccc23)cc1

CCOC(=O)c1c(O)c(=O)[nH]c2ccc(Cl)cc12

OC(=O)c1c(O)c(=O)[nH]c2ccc(F)cc12

OC(c1ccnc(Nc2ccc(cc2)C#N)n1)c1ccccc1Cl

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

CCOCn1c(Cc2cc(F)cc(F)c2)c(I)c(=O)[nH]c1=O

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

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

CCOCn1c(Cc2ccccc2)c(N(C)C)c(=O)[nH]c1=O

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

CCOCn1c(Cc2ccccc2)c(I)c(N)nc1=O

CCOCn1c(Cc2cc(C)cc(C)c2)c(I)c(N)nc1=O

CCOCn1c(Cc2cc(C)cc(C)c2)c(Br)c(N)nc1=O

Cc1cc(C)cc(Cc2c(Br)c(N)nc(=O)n2COCc2ccccc2)c1

Fc1cc(F)cc(Cc2c(I)c(=O)[nH]c(=O)n2COCc2ccccc2)c1

CN(C)c1c(Cc2cc(C)cc(C)c2)n(COCc2ccccc2)c(=O)[nH]c1=O

Cc1cc(C)cc(Cc2c(Br)c(=O)[nH]c(=O)n2COCc2ccccc2)c1

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

Cc1cc(C)cc(Cc2c(I)c(=O)[nH]c(=O)n2COCc2ccccc2)c1

CN(C)c1c(Cc2ccccc2)n(COCc2ccccc2)c(=O)[nH]c1=O

Cc1cc(C)cc(Cc2c(I)c(N)nc(=O)n2COCc2ccccc2)c1

Nc1nc(=O)n(COCc2ccccc2)c(Cc2ccccc2)c1Br

CCOCn1c(Cc2ccccc2)c(Br)c(N)nc1=O

Ic1c(Cc2ccccc2)n(COCc2ccccc2)c(=O)[nH]c1=O

Nc1nc(=O)n(COCc2ccccc2)c(Cc2ccccc2)c1I

Brc1c(Cc2ccccc2)n(COCc2ccccc2)c(=O)[nH]c1=O

Nc1ccc2cn([C@@H]3C[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C3)c3ncnc(n1)c23 |r,wU:9.9,7.6,(27.59,-17.39,;25.96,-17.73,;24.95,-16.42,;23.37,-16.43,;22.34,-17.62,;20.81,-17.4,;20.13,-18.79,;18.6,-18.83,;17.49,-17.77,;16.44,-18.88,;14.9,-18.91,;14.1,-17.6,;12.57,-17.64,;11.83,-18.99,;13.34,-16.31,;11.77,-16.33,;10.23,-16.36,;9.5,-17.71,;11.01,-15.03,;9.44,-15.05,;7.9,-15.09,;7.1,-13.77,;7.11,-16.41,;8.67,-13.76,;17.54,-19.94,;21.24,-19.86,;21.19,-21.4,;22.49,-22.22,;23.86,-21.49,;24.08,-19.93,;25.56,-19.3,;22.61,-19.14,)|

Nc1ncnc2n(cnc12)[C@@H]1C[C@@H](C1)OCP(O)(=O)OP(O)(=O)OP(O)(O)=O |r,wU:12.16,10.11,(9.68,-30.16,;8.33,-30.91,;8.31,-32.45,;6.96,-33.21,;5.64,-32.41,;5.66,-30.87,;4.53,-29.82,;5.18,-28.41,;6.72,-28.6,;7.01,-30.12,;2.99,-29.85,;1.88,-28.79,;.83,-29.91,;1.93,-30.97,;-.71,-29.94,;-1.51,-28.63,;-3.05,-28.66,;-3.79,-30.01,;-2.28,-27.33,;-3.85,-27.35,;-5.39,-27.38,;-6.13,-28.74,;-4.62,-26.05,;-6.19,-26.07,;-7.73,-26.1,;-8.54,-24.79,;-8.52,-27.43,;-6.96,-24.77,)|

Nc1ncnc2n(cnc12)[C@@H]1C[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@H]1F |r|

Nc1ncnc2n(cnc12)[C@@H]1C[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C1 |r,wU:12.14,10.11,(10.38,-16.26,;9.04,-17.02,;9.02,-18.56,;7.67,-19.31,;6.35,-18.52,;6.37,-16.98,;5.24,-15.93,;5.89,-14.52,;7.43,-14.71,;7.72,-16.23,;3.7,-15.96,;2.59,-14.9,;1.53,-16.02,;-.01,-16.05,;-.81,-14.74,;-2.35,-14.77,;-3.08,-16.12,;-1.58,-13.44,;-3.15,-13.46,;-4.69,-13.49,;-5.42,-14.84,;-3.91,-12.16,;-5.49,-12.18,;-7.03,-12.21,;-7.83,-10.9,;-7.82,-13.54,;-6.25,-10.88,;2.64,-17.08,)|

OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C(O)=O)c(=O)c2cc(Cl)ccc12 |r|

Cc1cc(C)c(c(C)c1)-n1c(SCC(=O)Nc2ccc(cc2Br)S(N)(=O)=O)nc2cnccc12 |(-.67,-53.17,;-1.42,-51.82,;-2.96,-51.79,;-3.7,-50.45,;-5.24,-50.42,;-2.9,-49.13,;-1.37,-49.15,;-.58,-47.83,;-.62,-50.49,;-3.65,-47.78,;-2.75,-46.53,;-1.21,-46.52,;-.45,-45.18,;1.09,-45.17,;1.87,-46.5,;1.85,-43.84,;3.39,-43.83,;4.17,-45.16,;5.71,-45.15,;6.47,-43.81,;5.68,-42.48,;4.15,-42.5,;3.36,-41.17,;8,-43.8,;8.79,-45.13,;8,-42.26,;9.33,-43.02,;-3.67,-45.29,;-5.13,-45.77,;-6.46,-45.01,;-7.79,-45.78,;-7.79,-47.32,;-6.46,-48.1,;-5.12,-47.32,)|

Cc1ccc(cc1C)C(=O)Nc1cc(Cl)ccc1OCC(=O)Nc1ccc(cc1C)S(N)(=O)=O

Cc1cc(ccc1NC(=O)COc1ccc(Cl)cc1NC(=O)c1cc(Cl)cc(c1)C#N)S(N)(=O)=O

CC[N+](C)(CC)CCC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc12

[H][C@@]12CCCN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)c1cc(N)c(C)c3oc4c(C)c(=O)c(N)c(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@]6([H])CCCN6C(=O)[C@H](NC5=O)C(C)C)c4nc13)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C2=O)C(C)C |r|

Nc1ccc2c(c1)c(-c1ccccc1)[n+](CCCNCCNCCC[n+]1c(-c3ccccc3)c3cc(N)ccc3c3ccc(N)cc13)c1cc(N)ccc21

CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc12

COc1ccc2nc3cc(Cl)ccc3c(NCCCNCCCCNCCCNc3c4ccc(Cl)cc4nc4ccc(OC)cc34)c2c1

N[C@@H](CCCNC(=O)c1ccc(C[n+]2c(-c3ccccc3)c3cc(N)ccc3c3ccc(N)cc23)cc1)C(=O)NCCCCCC(=O)N[C@@H](CCCNC(=O)c1ccc(C[n+]2c(-c3ccccc3)c3cc(N)ccc3c3ccc(N)cc23)cc1)C(N)=O |r|

N[C@@H](CCCCNC(=O)c1ccc(C[n+]2c(-c3ccccc3)c3cc(N)ccc3c3ccc(N)cc23)cc1)C(=O)NCCCC(=O)N[C@@H](CCCCNC(=O)c1ccc(C[n+]2c(-c3ccccc3)c3cc(N)ccc3c3ccc(N)cc23)cc1)C(N)=O |r|

N[C@@H](CCCNC(=O)c1ccc(C[n+]2c(-c3ccccc3)c3cc(N)ccc3c3ccc(N)cc23)cc1)C(=O)NC(CNC(=O)c1ccc(C[n+]2c(-c3ccccc3)c3cc(N)ccc3c3ccc(N)cc23)cc1)C(N)=O |r|

CCOc1ccc2nc3cc(N)ccc3c(N)c2c1

[H][C@@]12CCCN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C)c3oc4c(C)c(=O)c(N)c(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@]6([H])CCCN6C(=O)[C@H](NC5=O)C(C)C)c4nc13)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C2=O)C(C)C |r|

Cc1cc2cc3cc(C)c(N)cc3nc2cc1N

CN(C)c1ccc2cc3ccc(cc3nc2c1)N(C)C

NC(CNC(=O)c1ccc(C[n+]2c(-c3ccccc3)c3cc(N)ccc3c3ccc(N)cc23)cc1)C(=O)NCCC(=O)N[C@@H](CCCNC(=O)c1ccc(C[n+]2c(-c3ccccc3)c3cc(N)ccc3c3ccc(N)cc23)cc1)C(N)=O |r|

N[C@@H](CCCCNC(=O)c1ccc(C[n+]2c(-c3ccccc3)c3cc(N)ccc3c3ccc(N)cc23)cc1)C(=O)NCCCCCC(=O)NC(CNC(=O)c1ccc(C[n+]2c(-c3ccccc3)c3cc(N)ccc3c3ccc(N)cc23)cc1)C(N)=O |r|

CCn1c(-c2ccccc2)c2cc(N)ccc2c2ccc(=[NH2+])cc12

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|

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1cccnc1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccc(cc1)C#N

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)Nc1cccc(c1)C#N

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccncc1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1cccnc1

[H][C@@]12[C@H](O)[C@H](O)[C@H](O)CN1C(=O)C[S+]2[O-] |r|

[H][C@]12SC(=O)C(=O)N1C[C@@H](O)[C@@H](O)[C@H]2O |r|

[H][C@@]12SC(O)C(=O)N1C[C@@H](O)[C@@H](O)[C@H]2O |r|

[H][C@]12[C@H](O)[C@H](O)[C@H](O)CN1C(=O)C[S+]2[O-] |r|

[H][C@@]12SCC(=O)N1C[C@@H](O)[C@@H](O)[C@H]2O |r|

[H][C@@]12SC(=O)C(=O)N1C[C@@H](O)[C@@H](O)[C@H]2O |r|

[H][C@]12SCC(=O)N1C[C@@H](O)[C@@H](O)[C@H]2O |r|

[O-][N+](=O)c1ccccc1NC(=O)CSc1nncnc1-c1ccccc1Cl

Cc1ccc(NC(=O)CSc2nncnc2-c2ccccc2Cl)c(c1)[N+]([O-])=O

[O-][N+](=O)c1ccccc1NC(=O)CSc1nccnc1-c1ccccc1Cl

COc1cc(Cc2cnc(\N=C3/C(=O)N(CN4CCN(CC4)c4cc5n(cc(C(O)=O)c(=O)c5cc4F)C4CC4)c4ccc(Cl)cc34)nc2N)cc(OC)c1OC

[O-][N+](=O)c1cc(ccc1Cl)C(=O)OCCN1C(=O)c2ccccc2C1=O

Clc1ccc(cc1Cl)C(=O)OCCN1C(=O)c2ccccc2C1=O

Fc1ccc(F)c(c1)C(=O)OCCN1C(=O)c2ccccc2C1=O

CCOC(=O)c1cnn2c1cccc2

CN(CC1=NC(=O)c2ccccc2N1)CC(=O)N3CCCc4c3cccc4

CN1CCN(CC1)c2ccc(cc2)C(=O)O

Oc1ccc(OC(F)(F)F)cc1

[H][C@@]1([#6]-[#6][C@@]2([#6])[C@]3([H])[#6]-[#6]-[#6@@H](-[#6](=[#6])-[#6](-[#8])=O)[C@@]4([#6]-[#6]-[#6](-[#8])=O)[#6][C@@]34[#6]-[#6][C@]12[#6])[#6@H](-[#6])-[#6]-[#6](=O)\[#6]=[#6](/[#6])-[#6] |r|

[H][C@@]12[#6][C@]3([H])[C@@]4([#6][C@]4([#6]-[#6]-[#6](-[#8])=O)[C@]1([H])[#6](=[#6])-[#6](=O)-[#8]2)[#6]-[#6][C@]1([#6])[C@]([H])([#6]-[#6][C@@]31[#6])[#6@H](-[#6])-[#6]-[#6](=O)\[#6]=[#6](/[#6])-[#6] |r|

O=c1ccn(C\C=C\c2ccccc2)c(=O)n1Cc1cccc2ccccc12

Cc1cc(Br)cc(Cn2c(=O)ccn(C\C=C\c3ccccc3)c2=O)c1

Brc1cc(Br)cc(Cn2c(=O)ccn(C\C=C\c3ccccc3)c2=O)c1

Fc1cc(F)cc(Cn2c(=O)ccn(C\C=C\c3ccccc3)c2=O)c1

Cc1ccc(OCCn2c3ccccc3c(=O)n(Cc3ccccc3)c2=O)cc1

CC(c1ccccc1)n1c(=O)ccn(CCOc2ccc(C)cc2)c1=O

Cc1ccc(OCCn2cc(C)c(=O)n(Cc3ccccc3)c2=O)cc1

Cc1ccc(OCCn2ccc(=O)n(Cc3cc(C)cc(C)c3)c2=O)cc1

Cc1ccc(OCCn2ccc(=O)n(Cc3cc(C)ccc3C)c2=O)cc1

Cc1cc(C)cc(OCCn2ccc(=O)n(Cc3ccccc3)c2=O)c1

O=c1ccn(CCOc2ccc(cc2)C#N)c(=O)n1Cc1ccccc1

CC(C)(C)c1ccc(OCCn2ccc(=O)n(Cc3ccccc3)c2=O)cc1

Cc1ccc(OCCn2ccc(=O)n(Cc3ccccc3)c2=O)cc1

Cc1ccccc1OCCn1ccc(=O)n(Cc2ccccc2)c1=O

O=c1ccn(CCOc2ccccc2)c(=O)n1Cc1ccccc1

Cc1ccc(Cn2c(=O)ccn(CCOc3ccc(C)cc3)c2=O)cc1

Clc1ccc(OCCn2ccc(=O)n(Cc3ccccc3)c2=O)cc1

O=c1ccn(CCOc2ccc(cc2)-c2ccccc2)c(=O)n1Cc1ccccc1

Cc1ccc(OCCn2ccc(=O)n(CCc3ccccc3)c2=O)cc1

Fc1ccc(OCCn2ccc(=O)n(Cc3ccccc3)c2=O)cc1

Clc1cc(Cl)cc(Cn2c(=O)ccn(C\C=C\c3ccccc3)c2=O)c1

O=c1ccn(C\C=C\c2ccccc2)c(=O)n1Cc1ccccc1

Cc1ccc(OCCn2ccc(=O)n(Cc3c(C)cc(C)cc3C)c2=O)cc1

Cc1ccc(OCCn2ccc(=O)n(Cc3cccc(C)c3)c2=O)cc1

Cc1ccc(OCCn2ccc(=O)n(Cc3ccccc3)c2=O)cc1C

Cc1cccc(OCCn2ccc(=O)n(Cc3ccccc3)c2=O)c1

O=c1ccn(CCOc2ccc3ccccc3c2)c(=O)n1Cc1ccccc1

Cc1cc(C)cc(Cn2c(=O)ccn(C\C=C\c3ccccc3)c2=O)c1

Cc1ccc(OCCn2ccc(=O)n(Cc3ccccc3C)c2=O)cc1

CC(C)c1c(O[C@H]2CCCC[C@H]2C)cc(CCc2ccccc2)[nH]c1=O |r|

CC1CCCCC1Oc1cc(CCc2ccccc2)[nH]c(=O)c1I

CC1CCCCC1Oc1cc(CCc2ccccc2)[nH]c(=O)c1Br

CC(C)c1c(OC2CCCCC2C)cc(Cc2ccc(C)cc2)[nH]c1=O

CC(C)c1c(OC2CCCCC2C)cc(Cc2ccc(Cl)cc2)[nH]c1=O

CC(C)c1c(OC2CCCCC2C)cc(Cc2ccccc2)[nH]c1=O

CC1CCCCC1Oc1cc(Cc2ccccc2)[nH]c(=O)c1Br

CCOC(=O)c1c(OC2CC(C)CC(C)(C)C2)cc(Cc2ccccc2)[nH]c1=O

CCOC(=O)c1c(OC2CC(C)CC(C)C2)cc(Cc2ccccc2)[nH]c1=O

CCOC(=O)c1c(OC2CCC(C)CC2)cc(Cc2ccccc2)[nH]c1=O |(41.79,-39.89,;40.46,-39.12,;39.12,-39.88,;37.79,-39.11,;37.79,-37.57,;36.45,-39.88,;36.45,-41.42,;37.79,-42.19,;37.78,-43.73,;36.44,-44.49,;36.44,-46.02,;37.77,-46.8,;37.76,-48.34,;39.1,-46.03,;39.11,-44.49,;35.12,-42.18,;33.79,-41.42,;32.46,-42.19,;32.46,-43.73,;31.13,-44.5,;31.13,-46.03,;32.47,-46.8,;33.8,-46.02,;33.8,-44.49,;33.79,-39.88,;35.12,-39.1,;35.12,-37.56,)|

CCOC(=O)c1c(OC2CCCC(C)C2)cc(Cc2ccccc2)[nH]c1=O

CCOC(=O)c1c(OC2CCCCCC2)cc(Cc2ccccc2)[nH]c1=O

CCOC(=O)c1c(OC2CCCC2)cc(Cc2ccccc2)[nH]c1=O

CCOC(=O)c1c(OC2CCCCC2Cl)cc(Cc2ccccc2)[nH]c1=O

COc1ccc(Cc2cc(OC3CCCCC3C)c(C(C)C)c(=O)[nH]2)cc1

CC1CCCCC1Oc1cc(Cc2ccccc2)[nH]c(=O)c1I

CCOC(=O)c1c(OC2CCCCC2C)cc(Cc2ccccc2)[nH]c1=O

CC(C)c1c(OC2CCCCC2C)cc(CCc2ccccc2)[nH]c1=O

CCOC(=O)c1c(OC2CCCCC2C)cc(CCc2ccccc2)[nH]c1=O

CC(C)c1c(OC2CCCCC2C)cc(Cc2ccc(F)cc2)[nH]c1=O

CCOC(=O)c1c(OC2C(C)CCCC2C)cc(Cc2ccccc2)[nH]c1=O

CCOC(=O)c1c(OC2CCCCC2)cc(Cc2ccccc2)[nH]c1=O

CC(C)c1c(O[C@H]2CCCC[C@@H]2C)cc(CCc2ccccc2)[nH]c1=O |r|

CC1CCCCC1Oc1cc(Cc2ccccc2)[nH]c(=O)c1

Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(CNCC(=O)N(Cc3ccccc3)Cc3cc4cc(Cl)ccc4oc3=O)nn2)c(=O)[nH]c1=O |r|

Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(CNCC(=O)N(Cc3ccccc3)Cc3cc4ccccc4oc3=O)nn2)c(=O)[nH]c1=O |r|

Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(CNCc3cc4cc(Br)ccc4oc3=O)nn2)c(=O)[nH]c1=O |r|

Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(CNCc3cc4cc(Cl)ccc4oc3=O)nn2)c(=O)[nH]c1=O |r|

COc1cccc2cc(CN(Cc3ccccc3)C(=O)CNCc3cn(nn3)[C@H]3C[C@@H](O[C@@H]3CO)n3cc(C)c(=O)[nH]c3=O)c(=O)oc12 |r|

CCOc1cccc2cc(CNCc3cn(nn3)[C@H]3C[C@@H](O[C@@H]3CO)n3cc(C)c(=O)[nH]c3=O)c(=O)oc12 |r|

Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(CNCc3cc4ccccc4oc3=O)nn2)c(=O)[nH]c1=O |r|

COc1cccc2cc(CNCc3cn(nn3)[C@H]3C[C@@H](O[C@@H]3CO)n3cc(C)c(=O)[nH]c3=O)c(=O)oc12 |r|

Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(CNCC(=O)N(Cc3ccccc3)Cc3cc4cc(Br)ccc4oc3=O)nn2)c(=O)[nH]c1=O |r|

CCOc1cccc2cc(CN(Cc3ccccc3)C(=O)CNCc3cn(nn3)[C@H]3C[C@@H](O[C@@H]3CO)n3cc(C)c(=O)[nH]c3=O)c(=O)oc12 |r|

Cc1cc(Br)c(Oc2cc(Nc3ccc(cc3)C#N)nnc2Cl)c(Br)c1

Cc1cc(cc(C)c1Oc1ccnc(Nc2ccc(cc2)C#N)n1)C#CCOCCOCCOCCOCCOCC#Cc1cn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C=C2)c(=O)[nH]c1=O |r,c:66|

Cc1cc(cc(C)c1Oc1ccnc(Nc2ccc(cc2)C#N)n1)C#CCOCCOCCOCCOCCOCC#C

Cc1sc2nc([nH]c(=O)c2c1C)-c1cc(O)c(O)cc1O

Cc1sc2nc([nH]c(=O)c2c1C)-c1cc(O)cc(O)c1

Oc1ccc(O)c(c1)-c1nc2sc3CCCCCc3c2c(=O)[nH]1

CCCc1c(C)sc2nc([nH]c(=O)c12)-c1cccc(O)c1O

Oc1ccc(cc1O)-c1nc2sc3CCCCCCc3c2c(=O)[nH]1

Oc1ccc(cc1O)-c1nc2sc3CCCCCc3c2c(=O)[nH]1

CCCc1c(CC)sc2nc([nH]c(=O)c12)-c1ccc(O)c(O)c1

CCCc1c(C)sc2nc([nH]c(=O)c12)-c1ccc(O)c(O)c1

OC(=O)c1ccc(cc1)-c1nc2sc3CCCCCc3c2c(=O)[nH]1

O=c1[nH]c(nc2sc3CCCCCc3c12)-c1ccccc1

Cc1sc2nc([nH]c(=O)c2c1C)-c1ccc(o1)[N+]([O-])=O

Cc1sc2nc([nH]c(=O)c2c1C)-c1cccnc1

COc1cc(ccc1O)-c1nc2sc(C)c(C)c2c(=O)[nH]1

Cc1sc2nc([nH]c(=O)c2c1C)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F

Cc1sc2nc([nH]c(=O)c2c1C)-c1ccc(O)c(O)c1

Cc1sc2nc([nH]c(=O)c2c1C)-c1cccc(O)c1

COc1ccc(cc1)-c1nc2sc(C)c(C)c2c(=O)[nH]1

Cc1sc2nc([nH]c(=O)c2c1C)-c1ccc(cc1)C(F)(F)F

Cc1sc2nc([nH]c(=O)c2c1C)-c1ccccc1

Cc1sc2nc([nH]c(=O)c2c1C)-c1cccc(c1)[N+]([O-])=O

CCCCc1c(C)sc2nc([nH]c(=O)c12)-c1ccc(O)c(O)c1

Cc1sc2nc([nH]c(=O)c2c1C)-c1ccccn1

Cc1sc2nc([nH]c(=O)c2c1C)-c1ccc(Cl)c(c1)[N+]([O-])=O

FC(F)(F)c1ccc(cc1)-c1nc2sc3CCCCCc3c2c(=O)[nH]1

Cc1sc2nc([nH]c(=O)c2c1C)-c1ccc(F)c(F)c1

Cc1sc2nc([nH]c(=O)c2c1C)-c1cc(O)ccc1O

Cc1sc2nc([nH]c(=O)c2c1C)-c1ccc(O)cc1

Oc1cc(O)cc(c1)-c1nc2sc3CCCCCc3c2c(=O)[nH]1

Oc1cccc(c1O)-c1nc2sc3CCCCCc3c2c(=O)[nH]1

Oc1ccc(cc1O)-c1nc2sc3CCCc3c2c(=O)[nH]1

Oc1ccc(cc1)-c1nc2sc3CCCCCc3c2c(=O)[nH]1

Cc1sc2nc([nH]c(=O)c2c1C)-c1cc2ccccc2[nH]1

COc1ccc(cc1OC)-c1nc2sc(C)c(C)c2c(=O)[nH]1

Cc1sc2nc([nH]c(=O)c2c1C)-c1cccc(c1)C(F)(F)F

Oc1ccc(cc1O)-c1nc2sc3CCCCc3c2c(=O)[nH]1

Oc1ccc(c(O)c1)-c1nc2sc3CCCCCc3c2c(=O)[nH]1

Cc1sc2nc([nH]c(=O)c2c1C)-c1cc(O)c(O)c(O)c1

Cc1sc2nc([nH]c(=O)c2c1C)-c1ccc(O)c(F)c1

Cc1sc2nc([nH]c(=O)c2c1C)-c1ccc(cc1)C(O)=O

CNc1cc(C)c(cn1)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1

CNc1ccc(c(C)n1)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1

Cn1cc(cn1)-c1cnc2oc3c(nc(=O)n(CCC4CCCO4)c3c2c1)-c1ccn(C)n1

Cn1cc(cn1)-c1cnc2oc3c(nc(=O)n(CCC4CCCO4)c3c2c1)-c1ccc(=O)[nH]c1

CC[C@H]1C[C@H](CCO1)n1c2c3cc(ccc3oc2c(nc1=O)-c1cnn(C)c1)-c1cncn1C |r|

CNc1cnc(cn1)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1

CC[C@H]1C[C@@H](CCO1)n1c2c3cc(cnc3oc2c(nc1=O)-c1ccc(NC)nc1)-c1cnn(C)c1 |r|

Cn1cc(cn1)-c1cnc2oc3c(nc(=O)n(CCC4CCCO4)c3c2c1)-c1cccnc1

CN(C)c1cnc(cn1)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1

COc1cc(ccn1)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1

CC[C@H]1C[C@H](CCO1)n1c2c3cc(ccc3oc2c(nc1=O)-c1cnn(C)c1)-c1cn(C)cn1 |r|

CC[C@H]1C[C@H](CCO1)n1c2c3cc(ncc3oc2c(nc1=O)-c1cnn(C)c1)-c1cnn(C)c1 |r|

CN(C)c1ncc(cn1)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1

CC[C@H]1C[C@H](CCO1)n1c2c(oc3cc(C#N)c(nc23)-c2cnn(C)c2)c(nc1=O)-c1cnn(C)c1 |r|

CCC1(CC(C1)n1c2c3cc(cnc3oc2c(nc1=O)-c1ccc(NC)nc1)-c1cnn(C)c1)OC |(52.36,-18.14,;51.27,-19.22,;51.67,-20.72,;53.19,-20.95,;52.96,-22.47,;51.44,-22.24,;53.87,-23.71,;53.25,-25.13,;51.78,-25.61,;50.44,-24.85,;49.11,-25.62,;49.11,-27.16,;50.44,-27.93,;51.78,-27.16,;53.25,-27.64,;54.17,-26.38,;55.71,-26.22,;56.33,-24.8,;55.42,-23.54,;56.04,-22.13,;56.61,-27.45,;55.99,-28.86,;56.9,-30.1,;58.43,-29.94,;59.34,-31.18,;60.87,-31.01,;59.05,-28.52,;58.14,-27.28,;47.79,-24.84,;46.38,-25.47,;45.35,-24.32,;46.12,-22.99,;45.49,-21.58,;47.62,-23.31,;50.17,-20.31,;49.78,-18.83,)|

COc1ccc(cc1)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1

Cc1nc2cc(ccc2n1C)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1

CC[C@H]1C[C@H](CCO1)n1c2c3cc(cnc3oc2c(nc1=O)-c1ccc(NC)nc1)-c1cnn(C)c1 |r|

Cn1cc(cn1)-c1cnc2oc3c(nc(=O)n(CCC4CCCO4)c3c2c1)-c1cnn(C)c1

CC[C@H]1C[C@H](CCO1)n1c2c3cc(ccc3oc2c(nc1=O)-c1cnn(C)c1)-c1cnn(C)c1 |r|

COc1ccc(nc1)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1

CC[C@H]1C[C@H](CCO1)n1c2c3cc(ncc3oc2c(nc1=O)-c1cnn(C)c1)-c1cn(C)cn1 |r|

COc1cncc(c1)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1

CCn1cc(cn1)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1

CNc1ccc(cn1)-c1nc(=O)n(CCC2CC(C)(C)CO2)c2c3cc(cnc3oc12)-c1cnn(C)c1

CC[C@H]1C[C@H](CCO1)n1c2c(oc3ccc(nc23)-c2cn(C)cn2)c(nc1=O)-c1cnn(C)c1 |r|

CC[C@H]1C[C@H](CCO1)n1c2c(oc3ccc(nc23)-c2cnn(C)c2)c(nc1=O)-c1cnn(C)c1 |r|

CNc1ccc(cn1)-c1nc(=O)n(CC[C@@H]2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1 |r|

Cn1cc(cn1)-c1cnc2oc3c(nc(=O)n(CCC4CCCO4)c3c2c1)-c1cn(C)nn1

CCc1ccc(cn1)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1

CC[C@H]1C[C@H](CCO1)n1c2c3cc(-c4cnn(C)c4)c(cc3oc2c(nc1=O)-c1cnn(C)c1)C#N |r|

CNc1ccc(cn1)-c1nc(=O)n(CCC2CCOCC2)c2c3cc(cnc3oc12)-c1cnn(C)c1

CNc1ccc(cn1)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1

CNc1ccc(cn1)-c1nc(=O)n(C(C)CC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1

Cn1cc(cn1)-c1cnc2oc3c(nc(=O)n(CCC4CCCO4)c3c2c1)-c1ccncc1

CC[C@H]1C[C@H](CCO1)n1c2c3cc(cnc3oc2c(nc1=O)-c1cnn(C)c1)-c1cn(C)cn1 |r|

CNc1ccc(nc1)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1

CNc1ccc(cn1)-c1nc(=O)n(CCC2CCC(C)O2)c2c3cc(cnc3oc12)-c1cnn(C)c1

CNc1ccc(cn1)-c1nc(=O)n(CCC2CCCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1

CN(C)c1ccc(cn1)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1

CNc1cc(ccn1)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1

Cn1cc(cn1)-c1cnc2oc3c(nc(=O)n(CCC4CCCO4)c3c2c1)-c1cscn1

CNc1ccc(cn1)-c1nc(=O)n(CCC2(C)CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1

COc1ccc(cn1)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1

Cc1ccccc1C(=O)c1cc(Cl)ccc1Oc1nc(Nc2ccc(cc2)C#N)ncc1C

Cc1ccccc1C(=O)c1cc(Cl)ccc1Oc1ccnc(Nc2ccc(cc2)C#N)n1

Cc1cc(C)cc(c1)C(=O)c1cc(Cl)ccc1Oc1ccnc(Nc2ccc(cc2)C#N)n1

COCCc1ccc(Oc2ccnc(Nc3ccc(cc3)C#N)n2)cc1

COCCc1ccc(Oc2nc(Nc3ccc(cc3)C#N)ncc2C)cc1

Cc1cc(Oc2ccc(OCc3ccccc3)cc2)nc(Nc2ccc(cc2)C#N)n1

Cc1cc(Oc2ccc(cc2)C(=O)c2ccc(O)cc2)nc(Nc2ccc(cc2)C#N)n1

Oc1ccc(cc1)C(=O)c1ccc(Oc2ccnc(Nc3ccc(cc3)C#N)n2)cc1

N#Cc1ccc(Nc2nccc(Oc3ccc(OCc4ccccc4)cc3)n2)cc1

Cc1cc(C)cc(c1)C(=O)c1cc(Cl)ccc1Oc1nc(Nc2ccc(cc2)C#N)ncc1C

COCCc1ccc(Oc2cc(C)nc(Nc3ccc(cc3)C#N)n2)cc1

Cc1cnc(Nc2ccc(cc2)C#N)nc1Oc1ccc(cc1)C(=O)c1ccc(O)cc1

COc1ccc(CCNC(=O)C2C(=O)N(O)C(=O)c3ccccc23)cc1OC

ON1C(=O)C(C(=O)NCc2ccc(O)c(O)c2)c2ccccc2C1=O

ON1C(=O)C(C(=O)NCc2ccc(O)cc2O)c2ccccc2C1=O

Cc1ccc(CNC(=O)C2C(=O)N(O)C(=O)c3ccccc23)cc1

ON1C(=O)C(C(=O)Nc2cccc(F)c2)c2ccccc2C1=O

ON1C(=O)C(C(=O)NCc2ccc(F)cc2)c2ccccc2C1=O

ON1C(=O)C(C(=O)NCCc2ccc(O)c(O)c2)c2ccccc2C1=O

COc1ccc(CNC(=O)C2C(=O)N(O)C(=O)c3ccccc23)c(OC)c1

COc1ccc(NC(=O)C2C(=O)N(O)C(=O)c3ccccc23)cc1Cl

COc1ccc(CSc2nc(C(=O)c3ccccc3F)c(C(C)C)c(=O)[nH]2)cc1

COc1ccc(CSc2nc(C(=O)c3ccccc3F)c(C)c(=O)[nH]2)cc1

CCc1c(nc(SCc2ccc(OC)cc2)[nH]c1=O)C(=O)c1cc(F)cc(F)c1

CCc1c(nc(SCc2ccc(OC)cc2)[nH]c1=O)C(=O)c1cccc(F)c1

COc1ccc(CSc2nc(C(=O)c3cccc(F)c3)c(C(C)C)c(=O)[nH]2)cc1

O=C1N(Cc2ccccc2C#N)c2cccn2S(=O)(=O)N1Cc1ccccc1

Fc1cccc(CN2C(=O)N(Cc3ccccc3C#N)c3cccn3S2(=O)=O)c1

OC(=O)C(=O)CC(=O)\C=C\c1cccn1Cc1ccccc1C#N

CCOC(=O)C(=O)CC(=O)\C=C\c1cccn1Cc1cc(F)cc(F)c1

CCOC(=O)C(=O)CC(=O)\C=C\c1cccn1Cc1ccccc1OC

OC(=O)C(=O)CC(=O)\C=C\c1cccn1Cc1c(Cl)cccc1Cl

CCOC(=O)C(=O)CC(=O)\C=C\c1cccn1Cc1ccc(Cl)cc1Cl

CCOC(=O)C(=O)CC(=O)\C=C\c1cccn1Cc1ccccc1C#N

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

OC(=O)C(=O)CC(=O)\C=C\c1cccn1Cc1ccc(Cl)cc1Cl

OC(=O)C(=O)CC(=O)\C=C\c1cccn1Cc1cc(F)cc(F)c1

OC(=O)C(=O)CC(=O)\C=C\c1cccn1Cc1c(F)cccc1F

OC(=O)C(=O)CC(=O)\C=C\c1cccn1Cc1ccc(F)cc1F

OC(=O)C(=O)CC(=O)\C=C\c1cccn1Cc1cccc(F)c1F

OC(=O)C(=O)CC(=O)\C=C\c1cccn1Cc1ccc(cc1)C#N

OC(=O)C(=O)CC(=O)\C=C\c1cccn1Cc1cccc(c1)C#N

OC(=O)C(=O)CC(=O)\C=C\c1cccn1Cc1cccc(Cl)c1

OC(=O)C(=O)CC(=O)\C=C\c1cccn1Cc1cccc(F)c1

Cc1ccc(Cn2cccc2C=CC(=O)CC(=O)C(O)=O)cc1 |w:12.13|

Cc1cccc(Cn2cccc2\C=C\C(=O)CC(=O)C(O)=O)c1

Cc1ccccc1Cn1cccc1\C=C\C(=O)CC(=O)C(O)=O

CCOC(=O)C(=O)CC(=O)\C=C\c1cccn1Cc1c(Cl)cccc1Cl

CCOC(=O)C(=O)CC(=O)\C=C\c1cccn1Cc1ccc(F)cc1F

CCOC(=O)C(=O)CC(=O)\C=C\c1cccn1Cc1cccc(F)c1F

CCOC(=O)C(=O)CC(=O)\C=C\c1cccn1Cc1cc(C)cc(C)c1

OC(=O)C(=O)CC(=O)\C=C\c1cccn1Cc1cc(Cl)cc(Cl)c1

OC(=O)C(=O)CC(=O)\C=C\c1cccn1Cc1cc(F)ccc1F

OC(=O)C(=O)CC(=O)C=Cc1cccn1Cc1ccc(Cl)cc1 |w:8.7|

OC(=O)C(=O)CC(=O)\C=C\c1cccn1Cc1ccccc1F

OC(=O)C(=O)CC(=O)C=Cc1cccn1Cc1ccccc1 |w:8.7|

CCOC(=O)C(=O)CC(=O)\C=C\c1cccn1Cc1c(F)cccc1F

CCOC(=O)C(=O)CC(=O)\C=C\c1cccn1Cc1ccccc1OCC

OC(=O)C(=O)CC(=O)C=Cc1cccn1Cc1ccc(F)cc1 |w:8.7|

CCOc1ccccc1Cn1cccc1\C=C\C(=O)CC(=O)C(O)=O

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

CCOC(=O)C(=O)CC(=O)\C=C\c1cccn1Cc1cccc(c1)C#N

CCOC(=O)C(=O)CC(=O)\C=C\c1cccn1Cc1ccccc1F

CCOC(=O)C(=O)CC(=O)\C=C\c1cccn1Cc1ccccc1C

CCOC(=O)C(=O)CC(=O)\C=C\c1cccn1Cc1ccc(cc1)C#N

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

CCOC(=O)C(=O)CC(=O)\C=C\c1cccn1Cc1cccc(Cl)c1

CCOC(=O)C(=O)CC(=O)\C=C\c1cccn1Cc1cccc(F)c1

CCOC(=O)C(=O)CC(=O)\C=C\c1cccn1Cc1cccc(C)c1

COc1ccccc1Cn1cccc1\C=C\C(=O)CC(=O)C(O)=O

CCOC(=O)C(=O)CC(=O)\C=C\c1cccn1Cc1ccc(F)c(F)c1

OC(=O)C(=O)CC(=O)\C=C\c1cccn1Cc1ccc(F)c(F)c1

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

COc1ccc(Cn2cccc2C=CC(=O)CC(=O)C(O)=O)cc1 |w:13.14|

CCOC(=O)C(=O)CC(=O)\C=C\c1cccn1Cc1cc(F)ccc1F

Cc1cc(C)cc(Cn2cccc2\C=C\C(=O)CC(=O)C(O)=O)c1

Cc1cn([C@H]2C[C@@H]([C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O2)n2nncc2-c2cc3ccccc3c3ccccc23)c(=O)[nH]c1=O |r|

Cc1cn([C@H]2C[C@@H]([C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O2)n2nncc2-c2cccc3ccccc23)c(=O)[nH]c1=O |r|

[H][C@@]12CC[C@@H](C)[C@]3(Cc4c(O3)c3CN(CC(C)=O)C(=O)c3cc4O)[C@@]1(C)CC[C@@H](O)C2(C)C |r|

COc1ccnc(Nc2ccc(Cl)c(OCc3cccc(F)c3)c2)n1

Cc1cc(cc(C)c1Oc1cc(NC2CCN(Cc3ccncc3)CC2)nc(Nc2ccc(cc2)C#N)n1)C#N

Cc1cc(cc(C)c1Oc1ccnc(Nc2ccc(cc2)C#N)n1)C#CCCCCCCCC(=O)NCc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)[nH]c1=O |r|

Cc1cc(cc(C)c1Oc1ccnc(Nc2ccc(cc2)C#N)n1)C#CCCCCCCCC(=O)NCc1cn([C@H]2C[C@H](O)[C@@H](COP(O)=O)O2)c(=O)[nH]c1=O |r|

Cc1cc(cc(C)c1Oc1ccc(c(NC2CCN(Cc3ccc(cc3)S(C)(=O)=O)CC2)c1)[N+]([O-])=O)C#N

Cc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2cc(C)cc(C)c2)c(Cl)c1

Cc1cc(C)cc(Cn2c(SCC(=O)Nc3ccc(cc3Cl)S(N)(=O)=O)nc3ccc(Cl)cc23)c1

COC(=O)c1ccc(NC(=O)CSc2nc3ccc(Cl)cc3n2Cc2cc(C)cc(C)c2)c(Cl)c1

Cc1cc(C)cc(c1)S(=O)(=O)n1c2cc(Cl)ccc2[nH]c1=S

Cc1cc(C)cc(Cn2c(SCC(=O)Nc3ccccc3Br)nc3ccccc23)c1

Cc1cc(C)cc(c1)S(=O)(=O)n1c(SCC(=O)Nc2ccc(cc2Cl)S(N)(=O)=O)nc2ccc(Cl)cc12

Cc1cc(C)cc(Cn2c(SCC(=O)Nc3ccc(cc3Cl)S(N)(=O)=O)nc3ccccc23)c1

Cc1cc(C)cc(Cn2c(SCC(=O)Nc3ccc(cc3Cl)S(C)(=O)=O)nc3ccccc23)c1

COC(=O)c1ccc(NC(=O)CSc2nc3ccc(Cl)cc3n2S(=O)(=O)c2cc(C)cc(C)c2)c(Cl)c1

COC(=O)c1ccc(NC(=O)CSc2nc3ccccc3n2Cc2cc(C)cc(C)c2)c(Cl)c1

Cc1ccc(NC(=O)CSc2nc3ccc(Cl)cc3n2S(=O)(=O)c2cc(C)cc(C)c2)c(Cl)c1

Cc1ccc(NC(=O)CSc2nc3ccccc3n2S(=O)(=O)c2cc(C)cc(C)c2)c(Cl)c1

Cc1cc(C)cc(c1)S(=O)(=O)n1c(SCC(=O)Nc2ccccc2[N+]([O-])=O)nc2ccc(Cl)cc12

Cc1cc(C)cc(c1)S(=O)(=O)n1c(SCC(=O)Nc2ccccc2[N+]([O-])=O)nc2ccccc12

Cc1cc(C)cc(Cn2c(SCC(=O)Nc3ccccc3[N+]([O-])=O)nc3ccc(Cl)cc23)c1

Cc1cc(C)cc(Cn2c(SCC(=O)Nc3ccccc3Br)nc3ccc(Cl)cc23)c1

Cc1cc(C)cc(c1)S(=O)(=O)n1c(SCC(=O)Nc2ccccc2Cl)nc2ccc(Cl)cc12

Cc1cc(C)cc(Cn2c(SCC(=O)Nc3ccccc3Cl)nc3ccc(Cl)cc23)c1

Cc1cc(C)cc(Cn2c(SCC(=O)Nc3ccccc3Cl)nc3ccccc23)c1

Cc1cc(C)cc(Cn2c3ccccc3[nH]c2=S)c1

Cc1cc(C)cc(Cn2c(SCC(=O)Nc3ccc(cc3Cl)S(C)(=O)=O)nc3ccc(Cl)cc23)c1

Cc1cc(C)cc(c1)S(=O)(=O)n1c(SCC(=O)Nc2ccccc2Br)nc2ccc(Cl)cc12

Cc1cc(C)cc(Cn2c(SCC(=O)Nc3ccccc3[N+]([O-])=O)nc3ccccc23)c1

Cc1ccc(NC(=O)CSc2nc3ccc(Cl)cc3n2Cc2cc(C)cc(C)c2)c(Cl)c1

Cc1cc(C)cc(c1)S(=O)(=O)n1c(SCC(=O)Nc2ccc(cc2Cl)S(C)(=O)=O)nc2ccc(Cl)cc12

Cc1cc(C)cc(c1)S(=O)(=O)n1c2ccccc2[nH]c1=S

Cc1cc(cc(C)c1Oc1cc(Nc2ccc(cc2)C#N)[nH]c(=O)c1)C#N

Cc1cc(C)c(Oc2cc(Nc3ccc(cc3)C#N)[nH]c(=O)c2)c(C)c1

Cc1cc(Br)c(Oc2cc(Nc3ccc(cc3)C#N)ncc2[N+]([O-])=O)c(Br)c1

Cc1cc(C)c(Oc2cc(Nc3ccc(cc3)C#N)ncc2[N+]([O-])=O)c(C)c1

Cc1cc(cc(C)c1Oc1cc(Nc2ccc(cc2)C#N)ncc1[N+]([O-])=O)C#N

Cc1cc(C)c(Oc2cc(Nc3ccc(cc3)C#N)nc3ccnn23)c(C)c1

CC(O)(c1cccc(Br)c1)c1ccnc(Nc2ccc(cc2)C#N)n1

CC(O)(c1cccc(F)c1)c1ccnc(Nc2ccc(cc2)C#N)n1

CC(O)(c1ccccc1)c1ccnc(Nc2ccc(cc2)C#N)n1

Cc1ccc(cc1)C(C)(O)c1ccnc(Nc2ccc(cc2)C#N)n1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccccc1[N+]([O-])=O

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1cccc(Cl)c1

Cc1cc(C)cc(CNC(=O)c2[nH]c3ccc(Cl)cc3c2S(=O)(=O)c2cc(C)cc(C)c2)c1

COc1ccc(CNC(=O)c2[nH]c3ccc(Cl)cc3c2S(=O)(=O)c2cc(C)cc(C)c2)cc1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccc(Cl)cc1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1cccc(F)c1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccc(F)cc1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccccc1Cl

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccccc1C

Cc1cccc(CCNC(=O)c2[nH]c3ccc(Cl)cc3c2S(=O)(=O)c2cc(C)cc(C)c2)c1

Cc1ccc(CCNC(=O)c2[nH]c3ccc(Cl)cc3c2S(=O)(=O)c2cc(C)cc(C)c2)cc1

C[C@@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1)c1ccccc1 |r|

CC(NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1)c1ccccc1

C[C@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1)c1ccccc1 |r|

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(Cl)cc1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccccc1F

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccc(N)cc1

Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccc(cc1)[N+]([O-])=O

Cc1ccc(CNC(=O)c2[nH]c3ccc(Cl)cc3c2S(=O)(=O)c2cc(C)cc(C)c2)cc1

Cc1ccc(Cn2cc(C(=O)\C=C(/O)C(O)=O)c(=O)c3ccccc23)c(C)c1

OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc2c1=O

OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)c(F)c2)c2ccccc2c1=O

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

CC(=O)N1CCN(CC1)c1ccc2c(c1)n(Cc1ccc(F)cc1)cc(C(=O)\C=C(/O)C(O)=O)c2=O

CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2c(Cl)cccc2Cl)c2ccccc2c1=O

CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(C)cc2C)c2ccccc2c1=O

OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(O)cc2)c2ccccc2c1=O

COc1ccc(Cn2cc(C(=O)\C=C(/O)C(O)=O)c(=O)c3ccccc23)cc1

OC(=O)C(\O)=C\C(=O)c1cn(Cc2cc(F)ccc2F)c2ccccc2c1=O

OC(=O)C(\O)=C\C(=O)c1cn(Cc2c(F)cccc2F)c2ccccc2c1=O

OC(=O)C(\O)=C\C(=O)c1cn(Cc2c(Cl)cccc2Cl)c2ccccc2c1=O

Cc1cc(C)cc(Cn2cc(C(=O)\C=C(/O)C(O)=O)c(=O)c3ccccc23)c1

OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccccc2F)c2cc(Cl)ccc2c1=O

CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc2c1=O

OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccccc2F)c2ccccc2c1=O

OC(=O)C(\O)=C\C(=O)c1cn(Cc2cc(F)cc(F)c2)c2ccccc2c1=O

OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccccc2F)c2c(Cl)cccc2c1=O

CC(C)[C@@H](CO)N1C=C(C(=O)c2c1cc(c(c2)Cc3cccc(c3F)Cl)OC)C(=O)O

OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2F)c2ccccc2c1=O

OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(cc2)[N+]([O-])=O)c2ccccc2c1=O

OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc2c1=O

COc1ccccc1Cn1cc(C(=O)\C=C(/O)C(O)=O)c(=O)c2ccccc12

CCn1cc(C(O)=O)c(=O)c2ccc(Oc3ccnc(Nc4ccc(cc4)C#N)n3)cc12

CCCCn1cc(C(O)=O)c(=O)c2ccc(Oc3ccnc(Nc4ccc(cc4)C#N)n3)cc12

CC(C)Cn1cc(C(O)=O)c(=O)c2ccc(Oc3ccnc(Nc4ccc(cc4)C#N)n3)cc12

CCn1cc(C(O)=O)c(=O)c2ccc(Nc3ccnc(Nc4ccc(cc4)C#N)n3)cc12

CCCn1cc(C(O)=O)c(=O)c2ccc(Oc3ccnc(Nc4ccc(cc4)C#N)n3)cc12

OC(=O)c1cn(C2CCCC2)c2cc(Oc3ccnc(Nc4ccc(cc4)C#N)n3)ccc2c1=O

Cc1cc(cc(C)c1Oc1ccnc(SCC(=O)Nc2ccccc2Cl)n1)C#N

Cc1cc(cc(C)c1Oc1ccnc(SCC(=O)Nc2ccccc2[N+]([O-])=O)n1)C#N

Cc1cc(ccc1NC(=O)CSc1nccc(Oc2c(C)cc(cc2C)C#N)n1)S(N)(=O)=O

CCN1c2ccccc2S(=O)(=O)n2cccc2C1=O

Clc1ccc2NC(=O)c3cccn3S(=O)(=O)c2c1

O=C1Nc2ccccc2S(=O)(=O)n2cccc12

CC(C)N1c2ccccc2S(=O)(=O)n2cccc2C1=O

C=CCN1c2ccccc2S(=O)(=O)n2cccc2C1=O

Clc1ccc2N(CC=C)C(=O)c3cccn3S(=O)(=O)c2c1

C\C=C\CN1c2ccc(Cl)cc2S(=O)(=O)n2cccc2C1=O

CN1c2ccc(Cl)cc2S(=O)(=O)n2cccc2C1=O