Compound Name

SMILES String

OC1CCN(CC(=O)c2cn(-c3ccc(Cl)cc3)c3ccccc23)CC1

Clc1ccc(cc1)-n1cc(C(=O)CN2CCCCC2)c2ccccc12

Clc1ccc(cc1)-n1cc(C(=O)CN2CCCC2)c2ccccc12

Cc1c(C(=O)CN2CCC(O)CC2)c2ccccc2n1-c1ccc(Cl)cc1

Cc1c(C(=O)CN2CCCCC2)c2ccccc2n1-c1ccc(Cl)cc1

Cc1c(C(=O)CN2CCCC2)c2ccccc2n1-c1ccc(Cl)cc1

Cc1c(C(=O)CN2CCCCC2)c2cc(F)ccc2n1-c1ccc(Cl)cc1

Cc1c(C(O)CN2CCCCC2)c2ccccc2n1-c1ccc(Cl)cc1

Cc1c(C(=O)CN2CCCCC2)c2ccccc2n1-c1ccc(cc1)C(N)=O

OCc1ccc2c(cn(-c3ccc(Cl)cc3)c2c1)C(=O)CN1CCCCC1

Cc1c(C(=O)CC2CCCCC2)c2ncccc2n1-c1ccc(cc1)C#N

CC(=O)OCc1ccc2c(cn(-c3ccc(Cl)cc3)c2c1)C(=O)CN1CCCCC1

CNCc1ccc2c(cn(-c3ccc(Cl)cc3)c2c1)C(=O)CN1CCCCC1

Oc1ccc2c(cn(-c3ccc(Cl)cc3)c2c1)C(=O)CN1CCCCC1

COC(=O)c1ccc2c(C(O)CN3CCCCC3)c(C)n(-c3ccc(Cl)cc3)c2c1

Cc1c(C(=O)CN2CCCCC2)c2nc(O)ccc2n1-c1ccc(cc1)C#N

Cc1[nH]c2cccnc2c1C(=O)CN1CCCCC1

Cc1c(C(O)CN2CCCCC2)c2ccc(CO)cc2n1-c1ccc(Cl)cc1

Oc1c(C(=O)CN2CCCCC2)c2ccccc2n1-c1ccc(Cl)cc1

COc1c(C(=O)CN2CCCCC2)c2ccccc2n1-c1ccc(Cl)cc1

CCOC(=O)CCc1ccc2c(C(=O)CN3CCCCC3)c(C)n(-c3ccc(cc3)C#N)c2c1

Cc1c(C(=O)CN2CCCCC2)c2cccnc2n1-c1ccc(cc1)C#N

Cc1c(C(=O)CN2CCC(CC2)NC(=O)OC(C)(C)C)c2ccccc2n1-c1ccc(Cl)cc1

Cc1c(C(=O)CN2CCCCC2)c2ccncc2n1-c1ccc(cc1)C#N

Cc1c(C(=O)CN2CCCCC2)c2cc(Oc3ccccc3)ccc2n1-c1ccc(Cl)cc1

COc1cccc2c(C(=O)CN3CCCCC3)c(C)n(-c3ccc(cc3)C#N)c12

Cc1c(C(=O)CN2CCC(CC2)NC(=O)c2ccc(cc2)N=[N+]=[N-])c2ccccc2n1-c1ccc(Cl)cc1

Cc1c(C(=O)CN2CCCCC2)c2ccc(O)cc2n1-c1ccc(Cl)cc1

Cc1c(C(=O)CN2CCCCC2)c2ncccc2n1-c1ccc(Cl)nc1

Cc1c(C(=O)CN2CCCCC2)c2cc(ccc2n1-c1ccc(Cl)cc1)[N+]([O-])=O

Cc1c(C(=O)CN2CCCCC2)c2cnccc2n1-c1ccc(Cl)cc1

Cc1c(C(=O)CN2CCCCC2)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2n1-c1ccc(Cl)cc1

Cc1c(C(=O)CN2CCCCC2)c2ccc(CO[Si](C)(C)C(C)(C)C)cc2n1-c1ccc(Cl)cc1

COc1ccc2n(c(C)c(C(=O)CN3CCCCC3)c2c1)-c1ccc(Cl)cc1

Cc1c(C(=O)CN2CCCCC2)c2cc(C)ccc2n1-c1ccc(Cl)cc1

Cc1c(C(=O)CN2CCCCC2)c2ccccc2n1-c1ccc(cc1)C#N

Cc1c(C(=O)CN2CCCCC2)c2ncccc2n1-c1ccc(Cl)cc1

Cc1c(C(=O)CN2CCCCC2)c2ncccc2n1-c1ccc(cc1)C#N

Cc1c(C(=O)CN2CCCCC2)c2cc(ccc2n1-c1ccc(cc1)C#N)C#N

Cc1c(C(=O)CN2CCCCC2)c2ccccc2n1-c1ccc(cc1)[N+]([O-])=O

Cc1c(C(=O)CN2CCCCC2)c2nc(F)ccc2n1-c1ccc(cc1)C#N

COc1cccc2n(c(C)c(C(=O)CN3CCCCC3)c12)-c1ccc(cc1)C#N

Cc1c(C(=O)CN2CCCCC2)c2c(F)cccc2n1-c1ccc(cc1)C#N

Cc1c(C(=O)CN2CCCCC2)c2ccc(C)cc2n1-c1ccc(cc1)C#N

Cc1c(C(=O)CN2CCCCC2)c2cccc(F)c2n1-c1ccc(cc1)C#N

COC(=O)c1ccc2c(C(=O)CN3CCCCC3)c(C)n(-c3ccc(Cl)cc3)c2c1

CC(=O)Oc1ccc2c(C(=O)CN3CCCCC3)c(C)n(-c3ccc(Cl)cc3)c2c1

Cc1c(C(=O)CN2CCCCC2)c2nc(F)ccc2n1-c1ccc(Cl)cc1

Cc1c(C(=O)CN2CCCCC2)c2ccc(cc2n1-c1ccc(cc1)C#N)C#N

Cc1c(C(=O)CN2CCCCC2)c2ccc(F)cc2n1-c1ccc(cc1)C#N

COc1ccc2n(c(C)c(C(=O)CN3CCCCC3)c2n1)-c1ccc(cc1)C#N

COc1ccc2c(C(=O)CN3CCCCC3)c(C)n(-c3ccc(Cl)cc3)c2c1

Cc1c(C(=O)CN2CCCCC2)c2ccc(OCC(N)=O)cc2n1-c1ccc(Cl)cc1

CC(C)c1ccc2c(C(=O)CN3CCCCC3)c(C)n(-c3ccc(cc3)C#N)c2c1

Cc1c(C(=O)CN2CCCCC2)c2ncccc2n1-c1ccc(nc1)C#N

Cc1c(C(=O)CN2CCCCC2)c2ccc(CO)cc2n1-c1ccc(Cl)cc1

CC(=O)NCc1ccc2n(c(C)c(C(=O)CN3CCCCC3)c2c1)-c1ccc(cc1)C#N

Cc1c(C(=O)CN2CCCCC2)c2ncc(C)cc2n1-c1ccc(cc1)C#N

Cc1c(C(=O)CN2CCCCC2)c2ccc(CN)cc2n1-c1ccc(Cl)cc1

Cc1c(C(=O)CN2CCCCC2)c2cc(N)ccc2n1-c1ccc(cc1)C#N

Cc1c(C(=O)CN2CCCCC2)c2cc(NC(=O)C(C)(C)C)ccc2n1-c1ccc(cc1)C#N

CN(C)Cc1ccc2c(C(=O)CN3CCCCC3)c(C)n(-c3ccc(Cl)cc3)c2c1

Cc1c(C(=O)CN2CCCC(F)C2)c2ncc(C)cc2n1-c1ccc(cc1)C#N

Cc1c(C(=O)CN2CCC(F)CC2)c2ncc(C)cc2n1-c1ccc(cc1)C#N

CC(=O)Nc1ccc2n(c(C)c(C(=O)CN3CCCCC3)c2c1)-c1ccc(cc1)C#N

CN(C)c1c(C(=O)CN2CCCCC2)c2ccccc2n1-c1ccc(Cl)cc1

COc1cc2c(C(=O)CN3CCCCC3)c(C)n(-c3ccc(cc3)C#N)c2cc1OC(F)(F)F

Cc1c(C(=O)CN2CCCCC2)c2ccc(CCC(N)=O)cc2n1-c1ccc(cc1)C#N

Cc1c(C(=O)CN2CCCCC2)c2nc(C)c(C)cc2n1-c1ccc(cc1)C#N

CN(C(C)=O)c1ccc2n(c(C)c(C(=O)CN3CCCCC3)c2n1)-c1ccc(cc1)C#N

CCOC(=O)Cc1ccc2c(C(=O)CN3CCCCC3)c(C)n(-c3ccc(cc3)C#N)c2c1

Cc1c(C(=O)CN2CCCCC2)c2ccc(CC(O)=O)cc2n1-c1ccc(cc1)C#N

CNc1ccc2n(c(C)c(C(=O)CN3CCCCC3)c2c1)-c1ccc(cc1)C#N

CCOC(=O)CCc1cc2n(c(C)c(C(=O)CN3CCCCC3)c2cc1C)-c1ccc(cc1)C#N

Cc1c(C(=O)CN2CCCCC2)c2ccc(CCC(O)=O)cc2n1-c1ccc(cc1)C#N

Cc1c(C(=O)CN2CCCCC2)c2nc(C)c(CCC(O)=O)cc2n1-c1ccc(cc1)C#N

Cc1c(C(=O)CN2CCCCC2)c2ccc(CC(N)=O)cc2n1-c1ccc(cc1)C#N

CCN(CC)C(=O)CCc1cc2n(c(C)c(C(=O)CN3CCCCC3)c2nc1C)-c1ccc(cc1)C#N

CC(=O)OCCc1ccc2c(C(=O)CN3CCCCC3)c(C)n(-c3ccc(cc3)C#N)c2c1

Cc1c(C(=O)CN2CCCCC2)c2ccc(C=C)cc2n1-c1ccc(cc1)C#N

Cc1c(C(=O)CN2CCCCC2)c2ccc(CCO)cc2n1-c1ccc(cc1)C#N

Cc1c(C(=O)CN2CCCCC2)c2nc(ccc2n1-c1ccc(cc1)C#N)-n1nccn1

Cc1c(C(=O)CN2CCCCC2)c2nc(ccc2n1-c1ccc(cc1)C#N)-n1ccnn1

Cc1c(C(=O)CN2CCCCC2)c2nc(C)c(CCC(N)=O)cc2n1-c1ccc(cc1)C#N

COC(CNC(=O)CCc1cnc2c(C(=O)CN3CCCCC3)c(C)n(-c3ccc(cc3)C#N)c2c1)OC

Cc1c(C(=O)CN2CCCCC2)c2ncc(Br)cc2n1-c1ccc(cc1)C#N

Cc1c(C(=O)CN2CCCCC2)c2ncc(CC(=O)N3CCCC3)cc2n1-c1ccc(cc1)C#N

Cc1c(C(=O)CN2CCCCC2)c2ncc(CCC(=O)NCCCN=[N+]=[N-])cc2n1-c1ccc(cc1)C#N

Cc1c(C(=O)CN2CCCCC2)c2ncc(cc2n1-c1ccc(cc1)C#N)C(F)(F)F

Cc1c(C(=O)CN2CCCCC2)c2ncc(cc2n1-c1ccc(cc1)C#N)C(F)F

Cc1c(C(=O)CN2CCC(O)CC2)c2ncc(cc2n1-c1ccc(cc1)C#N)C(F)(F)F

CCN(CCc1cnc2c(C(=O)CN3CCCCC3)c(C)n(-c3ccc(cc3)C#N)c2c1)S(C)(=O)=O

Cc1c(C(=O)CN2CCCCC2)c2ncc(CCC(=O)NCCN=[N+]=[N-])cc2n1-c1ccc(cc1)C#N

CCCNC(=O)\C=C\c1cnc2c(C(=O)CN3CCCCC3)c(C)n(-c3ccc(cc3)C#N)c2c1

C[C@@H]1CCCN1CC(=O)c1c(C)n(-c2ccc(cc2)C#N)c2cc(Br)cnc12 |r|

C[C@H]1CCCN1CC(=O)c1c(C)n(-c2ccc(cc2)C#N)c2cc(Br)cnc12 |r|

C[C@H]1CCCCN1CC(=O)c1c(C)n(-c2ccc(cc2)C#N)c2cc(Br)cnc12 |r|

C[C@@H]1CCCCN1CC(=O)c1c(C)n(-c2ccc(cc2)C#N)c2cc(Br)cnc12 |r|

Cc1c(C(=O)CN2CCCC2(C)C)c2ncc(Br)cc2n1-c1ccc(cc1)C#N

Cc1c(C(=O)CN2CCC(CO)CC2)c2ncc(Br)cc2n1-c1ccc(cc1)C#N

Cc1c(C(=O)CN2CCC=CC2)c2ncc(Br)cc2n1-c1ccc(cc1)C#N |c:9|

Cc1c(C(=O)CN2CC=CC2)c2ncc(Br)cc2n1-c1ccc(cc1)C#N |c:8|

Cc1c(C(=O)CN2CCCCC2(C)C)c2ncc(Br)cc2n1-c1ccc(cc1)C#N

CN(C)C(=O)OCC#Cc1cnc2c(C(=O)CN3CCCCC3)c(C)n(-c3ccc(cc3)C#N)c2c1

Cc1c(C(=O)CN2CCC(O)CC2)c2ncc(\C=C\c3nnc(o3)C(F)(F)F)cc2n1-c1ccc(cc1)C#N

Cc1c(C(=O)CN2CCC(F)(F)C2)c2ncc(Br)cc2n1-c1ccc(cc1)C#N

Cc1c(C(=O)CN2CCC2)c2ncc(Br)cc2n1-c1ccc(cc1)C#N

COc1cnc2c(C(=O)CN3CCCCC3)c(C)n(-c3ccc(cc3)C#N)c2c1

Cc1c(C(=O)CN2CCS(=O)(=O)CC2)c2ncc(Br)cc2n1-c1ccc(cc1)C#N

Cc1c(C(=O)CN2CC[C@H](O)[C@@H](O)C2)c2ncc(Br)cc2n1-c1ccc(cc1)C#N |r|

Cc1c(C(=O)CN2CCOCC2)c2ncc(Br)cc2n1-c1ccc(cc1)C#N

CN1CCN(CC(=O)c2c(C)n(-c3ccc(cc3)C#N)c3cc(Br)cnc23)CC1

Cc1c(C(=O)CN2CCSCC2)c2ncc(Br)cc2n1-c1ccc(cc1)C#N

Cc1c(C(=O)CN2CC[C@H](O)[C@H](O)C2)c2ncc(Br)cc2n1-c1ccc(cc1)C#N |r|

Cc1c(C(=O)CN2CCC(O)CC2)c2ncccc2n1-c1ccc(cc1)C#N

CC(C)c1c(C(=O)CN2CCCCC2)c2ncccc2n1-c1ccc(cc1)C#N

Cc1c(C(=O)CN2CCC(O)CC2)c2ccccc2n1-c1ccc(cc1)C#N

C[C@H]1C[C@@H](C)CN(CC(=O)c2c(C)n(-c3ccc(cc3)C#N)c3cc(Br)cnc23)C1 |r|

COc1cnc2c(C(=O)CN3CCC(O)CC3)c(C)n(-c3ccc(cc3)C#N)c2c1

CCOc1cnc2c(C(=O)CN3CCC(O)CC3)c(C)n(-c3ccc(cc3)C#N)c2c1

COCCOc1cnc2c(C(=O)CN3CCC(O)CC3)c(C)n(-c3ccc(cc3)C#N)c2c1

Cc1c(C(=O)CN2CCC(O)CC2)c2ncc(CCNS(C)(=O)=O)cc2n1-c1ccc(Cl)cc1

Cc1c(C(=O)CN2CC3(COC3)C2)c2ncc(Br)cc2n1-c1ccc(cc1)C#N

Cc1c(C(=O)CN2CCNC(=O)C2)c2ncc(Br)cc2n1-c1ccc(cc1)C#N

Cc1c(C(=O)CN2CCCCO2)c2ncc(Br)cc2n1-c1ccc(cc1)C#N

Cc1c(C(=O)CN2CCCCC2)c2ncc(CCN3CCCC3)cc2n1-c1ccc(Cl)cc1

CCCOc1cnc2c(C(=O)CN3CCC(O)CC3)c(C)n(-c3ccc(cc3)C#N)c2c1

C[C@@H]1C[C@@H](C)CN(CC(=O)c2c(C)n(-c3ccc(cc3)C#N)c3cc(Br)cnc23)C1 |r|

C[C@H]1C[C@H](C)CN(CC(=O)c2c(C)n(-c3ccc(cc3)C#N)c3cc(Br)cnc23)C1 |r|

CCOC(=O)C[C@@H](C)c1cnc2c(C(=O)CN3CCCCC3)c(C)n(-c3ccc(cc3)C#N)c2c1 |r|

CCOC(=O)C[C@H](C)c1cnc2c(C(=O)CN3CCCCC3)c(C)n(-c3ccc(cc3)C#N)c2c1 |r|

CN(C)CC1CCN(CC(=O)c2c(C)n(-c3ccc(cc3)C#N)c3cc(Br)cnc23)CC1

Cc1c(C(=O)CN2CCC(O)CC2)c2ncc(Br)cc2n1-c1ccc(cc1)C#N

Cc1c(C(=O)CN2CCC(CN)CC2)c2ncc(Br)cc2n1-c1ccc(cc1)C#N

Cc1c(C(=O)CN2CC[C@@H](O)[C@@H](O)C2)c2ncc(Br)cc2n1-c1ccc(cc1)C#N |r|

Cc1c(C(=O)CN2CCC(O)CC2)c2ncc(CCS(N)(=O)=O)cc2n1-c1ccc(Cl)cc1

Cc1c(C(=O)CN2CC3(CCC3)C2)c2ncc(Br)cc2n1-c1ccc(cc1)C#N |Sg:gen:6,5,3,4,19,13,2,1,20,18,16,15,14,21,17,22,23,24,25,26,0,7,8,12,9,10,11,27,28::|

Cc1c(C(=O)CN2CCCCC2)c2ncc(CN3CCCC3)cc2n1-c1ccc(cc1)C#N

Cc1c(C(=O)CN2CCC(O)CC2)c2ncc(CCC(=O)NCCCC#C)cc2n1-c1ccc(cc1)C#N

Cc1c(C(=O)CN2CCC(O)CC2)c2ncc(CCC(=O)NCCCC#N)cc2n1-c1ccc(cc1)C#N

COCCOc1cnc2c(C(=O)CN3CCC(O)CC3)c(C)n(-c3ccc(Cl)cc3)c2c1

COCCOc1cnc2c(C(=O)CN3CCCCC3)c(C)n(-c3ccc(Cl)cc3)c2c1

CCOC(=O)CC1CCN(CC(=O)c2c(C)n(-c3ccc(cc3)C#N)c3cc(Br)cnc23)CC1

CCOC(=O)CC1CCCN(CC(=O)c2c(C)n(-c3ccc(cc3)C#N)c3cc(Br)cnc23)C1

Cc1c(C(=O)CN2CCC(N)CC2)c2ncc(Br)cc2n1-c1ccc(cc1)C#N

CCOC(=O)CNCC1CCN(CC(=O)c2c(C)n(-c3ccc(cc3)C#N)c3cc(Br)cnc23)CC1

COc1cnc2c(C(=O)CN3CCC(CN)CC3)c(C)n(-c3ccc(cc3)C#N)c2c1

COc1cnc2c(C(=O)CN3CCC(CN(C)C)CC3)c(C)n(-c3ccc(cc3)C#N)c2c1

Cc1c(C(=O)CN2CCC(CC(O)=O)CC2)c2ncc(Br)cc2n1-c1ccc(Cl)cc1

FC(F)(F)c1c(C(=O)CN2CCCCC2)c2ncccc2n1-c1ccc(cc1)C#N

C[C@@H]1CCC[C@@H](C)N1CC(=O)c1c(C)n(-c2ccc(cc2)C#N)c2cc(Br)cnc12 |r|

C[C@H]1CCC[C@H](C)N1CC(=O)c1c(C)n(-c2ccc(cc2)C#N)c2cc(Br)cnc12 |r|

Cc1c(C(=O)CN2CCCCC2)c2ncc(CC(=O)NC3CC3)cc2n1-c1ccc(cc1)C#N

CCN(C)C(=O)Cc1cnc2c(C(=O)CN3CCCCC3)c(C)n(-c3ccc(cc3)C#N)c2c1

CCNC(=O)Cc1cnc2c(C(=O)CN3CCCCC3)c(C)n(-c3ccc(cc3)C#N)c2c1

CCOC(=O)Cc1cnc2c(C(=O)CN3CCCCC3)c(C)n(-c3ccc(cc3)C#N)c2c1

Cc1c(C(=O)CN2CCCCC2)c2ncc(Cl)cc2n1-c1ccc(cc1)C#N

Cc1c(C(=O)CN2CCC(CNCC(O)=O)CC2)c2ncc(Br)cc2n1-c1ccc(Cl)cc1

CCCC(=O)CCc1cnc2c(C(=O)CN3CCCCC3)c(C)n(-c3ccc(Cl)cc3)c2c1

Cc1c(C(=O)CN2CCC(O)CC2)c2ncccc2n1-c1ccc(Cl)cc1

Cc1c(C(=O)CN2CCC(O)CC2)c2ccccc2n1-c1ccc(F)cc1

Cc1c(C(=O)CN2CCC(O)(CC2)C(F)(F)F)c2ccccc2n1-c1ccc(Cl)cc1

Cc1c(C(=O)CN2CCC(O)CC2)c2ccccc2n1-c1ccc(F)c(F)c1

Cc1c(C(=O)CN2CCC(O)CC2)c2ccccc2n1-c1ccc(Cl)nc1

Cc1c(C(=O)CN2CCC(O)CC2)c2ccccc2n1-c1ccc(nc1)C#N

Cc1c(C(=O)CN2CCC(O)CC2)c2ccc(F)cc2n1-c1ccc(Cl)cc1

Cc1c(C(=O)CN2CCC(O)CC2)c2ccccc2n1-c1cccnc1

Cc1c(C(=O)CN2CCC(O)CC2)c2ccccc2n1-c1ccncc1

Cc1c(C(=O)CN2CCC(O)CC2)c2ccccc2n1-c1ccccn1

Cc1c(C(=O)CN2CCC(O)CC2)c2ccccc2n1-c1ccc(Cl)cn1

Clc1ccc(cc1)-n1c(C2CC2)c(C(=O)CN2CCCCC2)c2ccccc12

Cc1c(C(=O)CN2CCC(O)CC2)c2ccccc2n1-c1ncc(Cl)cn1

CCc1c(C(=O)CN2CCCCC2)c2ccccc2n1-c1ccc(Cl)cc1

Cc1c(C(=O)CN2CCC(O)CC2)c2ccccc2n1-c1ncc(Cl)s1

Cc1c(C(=O)CN2C3CCC2CC3)c2ccc(CCS(C)(=O)=O)cc2n1-c1ccc(Cl)cc1 |THB:5:6:12.11:8.9|

Cc1c(C(=O)CN2C3CCC2CCC3)c2ccc(CCS(C)(=O)=O)cc2n1-c1ccc(Cl)cc1

Cc1c(C(=O)CN2C3CCC2CC3)c2ccc(CS(C)(=O)=O)cc2n1-c1ccc(Cl)cc1 |THB:5:6:12.11:8.9|

Cc1c(C(=O)CN2C3CCC2CC(O)C3)c2ccc(CCS(C)(=O)=O)cc2n1-c1ccc(Cl)cc1 |THB:13:12:8.9:6|

Cc1c(C(=O)CN2C3CCC2CC(O)C3)c2ccc(CCS(C)(=O)=O)cc2n1-c1ccc(Cl)cc1 |TLB:13:12:8.9:6|

Cc1c(C(=O)CN2C3CCC2[C@@H](O)C3)c2ccc(CCS(C)(=O)=O)cc2n1-c1ccc(Cl)cc1 |r,THB:5:6:11.13:9.8,12:11:9.8:6|

Cc1c(C(=O)CN2CCC(O)CC2)c2ccc(CCS(C)(=O)=O)cc2n1-c1ccc(Cl)cc1

Cc1c(C(=O)CN2C3CCC2CC3)c2ccc(CCC#N)cc2n1-c1ccc(Cl)cc1 |THB:5:6:12.11:8.9|

Cc1c(C(=O)CN2CCC(O)CC2)c2ccc(CCC#N)cc2n1-c1ccc(Cl)cc1

Cc1c(C(=O)CN2C3CCC2[C@@H](O)C3)c2ccc(CCC#N)cc2n1-c1ccc(Cl)cc1 |r,THB:5:6:11.13:9.8,12:11:9.8:6|

Cc1c(C(=O)CN2C3CCC2CC3)c2ccc(CC3COC3)cc2n1-c1ccc(Cl)cc1 |THB:5:6:12.11:8.9|

Cc1c(C(=O)CN2C3CCC2[C@@H](CO)C3)c2ccc(CC3COC3)cc2n1-c1ccc(Cl)cc1 |r,THB:12:11:9.8:6,5:6:11.14:9.8|

Cc1c(C(=O)CN2C3CCC2[C@@H](O)C3)c2ccc(CC3COC3)cc2n1-c1ccc(Cl)cc1 |r,THB:5:6:11.13:9.8,12:11:9.8:6|

Cc1c(C(=O)CN2CCC(O)CC2)c2ccc(CC3COC3)cc2n1-c1ccc(Cl)cc1

Cc1c(C(=O)CN2C3CCC2CC3)c2ccc(CCS(=O)(=O)C3CC3)cc2n1-c1ccc(Cl)cc1

Cc1c(C(=O)CN2C3CCC2CC3)c2ccc(CCCC#N)cc2n1-c1ccc(Cl)cc1 |THB:5:6:12.11:8.9|

Cc1c(C(=O)CN2C3CCC2[C@@H](O)C3)c2ccc(CCCC#N)cc2n1-c1ccc(Cl)cc1 |r,THB:5:6:11.13:9.8,12:11:9.8:6|

Cc1c(C(=O)CN2C3CCC2[C@@H](CO)C3)c2ccc(CCCC#N)cc2n1-c1ccc(Cl)cc1 |r,THB:12:11:9.8:6,5:6:11.14:9.8|

Cc1c(C(=O)CN2C3CCC2CC(O)C3)c2ccc(CCC#N)cc2n1-c1ccc(Cl)cc1 |THB:13:12:8.9:6|

Cc1c(C(=O)CN2C3CCC2CC(O)C3)c2ccc(CCC#N)cc2n1-c1ccc(Cl)cc1 |TLB:13:12:8.9:6|

Cc1c(C(=O)CN2C3CCC2CC(O)C3)c2ccc(CC3COC3)cc2n1-c1ccc(Cl)cc1 |THB:13:12:8.9:6|

Cc1c(C(=O)CN2C3CCC2CC(O)C3)c2ccc(CCS(=O)(=O)C3CC3)cc2n1-c1ccc(Cl)cc1 |THB:13:12:8.9:6|

Cc1c(C(=O)CN2C3CCC2CC(O)C3)c2ccc(CCCC#N)cc2n1-c1ccc(Cl)cc1 |THB:13:12:8.9:6|

Cc1c(C(=O)CN2C3CCC2CC(O)C3)c2ccc(CCCC#N)cc2n1-c1ccc(Cl)cc1 |TLB:13:12:8.9:6|

Cc1c(C(=O)CN2C3CCC2CC(O)C3)c2ccc(CC3COC3)cc2n1-c1ccc(Cl)cc1 |TLB:13:12:8.9:6|

CN1CCN=C1CCc1ccc2c(C(=O)CN3C4CCC3CC(O)C4)c(C)n(-c3ccc(Cl)cc3)c2c1 |c:4,THB:23:22:18.19:16|

CN1CCN=C1CCc1ccc2c(C(=O)CN3C4CCC3CC(O)C4)c(C)n(-c3ccc(Cl)cc3)c2c1 |c:4,TLB:23:22:18.19:16|

Cc1c(C(=O)CN2C3CCC2CC3)c2ccc(CC#N)cc2n1-c1ccc(Cl)cc1 |THB:5:6:12.11:8.9|

Cc1c(C(=O)CN2C3CC[C@@H]2C[C@@](O)(C3)C(C)(C)C)c2ccc(CCC#N)cc2n1-c1ccc(Cl)cc1 |r,TLB:15:12:9.8:6,THB:13:12:9.8:6|

CC(C)C1(O)CC2CCC(C1)N2CC(=O)c1c(C)n(-c2ccc(Cl)cc2)c2cc(CCC#N)ccc12 |TLB:4:3:7.8:11,THB:1:3:7.8:11|

Cc1c(C(=O)CN2C3CCC2CCC3)c2ccc(CCC#N)cc2n1-c1ccc(Cl)cc1

Cc1c(CCCCS(C)(=O)=O)n(c(C)c1C(=O)CN1C2CCC1CC2)-c1ccc(cc1)C#N |TLB:17:18:24.23:20.21|

Cc1c(cc(CCCC2CCOCC2)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:25:26:31.33:29.28,THB:32:31:29.28:26|

Cc1c(cc(C#CCCC#N)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1CC2 |TLB:22:23:29.28:25.26|

Cc1c(cc(C[C@H]2C[C@H](C2)C#N)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,wU:6.5,8.10,wD:29.33,TLB:23:24:29.31:27.26,THB:30:29:27.26:24,(-3.57,-.98,;-2.24,-.21,;-1.76,1.25,;-.22,1.25,;.25,-.21,;1.74,-.61,;2.83,.48,;2.83,2.02,;4.37,2.02,;4.37,.48,;5.46,3.1,;6.55,4.19,;-.99,-1.12,;-.99,-2.66,;-2.33,-3.43,;-2.33,-4.97,;-.99,-5.74,;.34,-4.97,;.34,-3.43,;-.99,-7.28,;-.99,-8.82,;-2.85,2.34,;-4.34,1.94,;-2.45,3.83,;-3.54,4.92,;-4.64,6,;-3.3,6.77,;-2.9,8.26,;-4.24,7.49,;-5.78,7.49,;-6.55,8.82,;-6.18,6,)|

Cc1c(cc(COCCC#N)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:22:23:28.30:26.25,THB:29:28:26.25:23|

Cc1nccn1C\C=C\c1cc(C(=O)CN2C3CCC2[C@@H](O)C3)c(C)n1-c1ccc(cc1)C#N |r,TLB:14:15:20.22:18.17,THB:21:20:18.17:15|

Cc1c(cc(CCCCS(C)(=O)=O)n1-c1ccc(cc1)C#N)C(=O)CN1[C@@H]2CC[C@@H]1CC(O)C2 |r,TLB:24:25:27.28:30.33.31,THB:32:31:27.28:25|

Cc1c(cc(CCCCS(C)(=O)=O)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:24:25:30.32:28.27,THB:31:30:28.27:25|

Cc1c(cc(CCC2CCOCC2)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:24:25:30.32:28.27,THB:31:30:28.27:25|

Cc1c(cc(C#CCCC#N)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:22:23:28.30:26.25,THB:29:28:26.25:23|

CC(CCS(C)(=O)=O)c1cc(C(=O)CN2C3CCC2[C@@H](O)C3)c(C)n1-c1ccc(cc1)C#N |r,TLB:13:14:19.21:17.16,THB:20:19:17.16:14|

COCCCCc1cc(C(=O)CN2C3CCC2[C@@H](O)C3)c(C)n1-c1ccc(cc1)C#N |r,TLB:11:12:17.19:15.14,THB:18:17:15.14:12|

COCCCCc1cc(C(=O)CN2C3CCC2[C@H](O)C3)c(C)n1-c1ccc(cc1)C#N |r,THB:11:12:15.14:17.19,18:17:15.14:12|

Cc1c(cc(CCCCC2CCOCC2)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:26:27:32.34:30.29,THB:33:32:30.29:27|

Cc1c(cc(\C=C\CC(C)(C)C#N)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:24:25:30.32:28.27,THB:31:30:28.27:25|

Cc1c(C(=O)CN2C3CCC2CC3)c(C)n(c1-c1ccc(cc1)C#N)-c1ccc(cc1)C#N |TLB:5:6:12.11:8.9|

Cc1c(cc([C@@H]2C[C@H]2CCC#N)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:23:24:29.31:27.26,THB:30:29:27.26:24|

Cc1c(cc(CCCCS(C)(=O)=O)n1-c1ccc(Cl)cc1)C(=O)CN1C2CCC1CC2 |TLB:23:24:30.29:26.27|

Cc1c(CCCCS(C)(=O)=O)c(C(=O)CN2C3CCC2[C@@H](O)C3)c(C)n1-c1ccc(cc1)C#N |r,TLB:14:15:20.22:18.17,THB:21:20:18.17:15|

Cc1c(cc(\C=C\CCC#N)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:22:23:28.30:26.25,THB:29:28:26.25:23|

Cc1c(cc(C#CCCC#N)n1-c1ccc(cc1)C#N)C(=O)CN1C2CC3CC1CC(C2)O3 |TLB:22:23:25:30.32.31,22:23:30.29.31:25.26.27,THB:32:30:23:25.26.27,32:26:23:30.29.31,29:30:25:23.28.27,29:28:25:30.32.31|

Cc1c(cc(CCCC2COC2)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:23:24:29.31:27.26,THB:30:29:27.26:24|

Cc1c(cc(CCCCC2COC2)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:24:25:30.32:28.27,THB:31:30:28.27:25|

Cc1c(cc(CCCn2cccn2)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:24:25:30.32:28.27,THB:31:30:28.27:25|

Cc1c(cc(CC2CCS(=O)(=O)CC2)n1-c1ccc(Cl)cc1)C(=O)CN1C2CCC1CC2 |TLB:24:25:31.30:27.28|

Cc1c(cc(\C=C/CCS(C)(=O)=O)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1CC2 |TLB:24:25:31.30:27.28|

Cc1c(cc(\C=C\Cn2cccn2)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:24:25:30.32:28.27,THB:31:30:28.27:25|

Cc1c(cc(CCCCC#N)n1-c1ccc(cc1)C#N)C(=O)CN1C2CC3CC1CC(C2)O3 |TLB:22:23:25:30.32.31,22:23:30.29.31:25.26.27,THB:32:30:23:25.26.27,32:26:23:30.29.31,29:30:25:23.28.27,29:28:25:30.32.31|

Cc1c(cc(CCCCC#N)n1-c1ccc(Cl)cc1)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:21:22:27.29:25.24,THB:28:27:25.24:22|

Cc1c(cc(CCCCS(C)(=O)=O)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1CC2 |TLB:24:25:31.30:27.28|

Cc1c(cc(CCCCC#N)n1-c1ccc(Cl)cc1)C(=O)CN1C2CCC1CC2 |TLB:21:22:28.27:24.25|

Cc1c(\C=C\CCS(C)(=O)=O)n(c(C)c1C(=O)CN1C2CCC1CC2)-c1ccc(cc1)C#N |TLB:17:18:24.23:20.21|

Cc1c(C#N)c(C(=O)CN2C3CCC2[C@@H](O)C3)c(C)n1-c1ccc(cc1)C#N |r,TLB:8:9:14.16:12.11,THB:15:14:12.11:9|

Cc1c(cc(\C=C\CCS(C)(=O)=O)n1-c1ccc(Cl)cc1)C(=O)CN1C2CCC1CC2 |TLB:23:24:30.29:26.27|

Cc1c(cc(\C=C\CCS(C)(=O)=O)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1CC2 |TLB:24:25:31.30:27.28|

CSCCCCc1cc(C(=O)CN2C3CCC2[C@@H](O)C3)c(C)n1-c1ccc(cc1)C#N |r,TLB:11:12:17.19:15.14,THB:18:17:15.14:12|

CSCCCCCc1cc(C(=O)CN2C3CCC2[C@@H](O)C3)c(C)n1-c1ccc(cc1)C#N |r,TLB:12:13:18.20:16.15,THB:19:18:16.15:13|

Cc1c(cc(CC2COC2)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:21:22:27.29:25.24,THB:28:27:25.24:22|

Cc1c(C(=O)CN2C3CCC2[C@@H](O)C3)c(Cl)c(CCCCC#N)n1-c1ccc(C#N)c(F)c1 |r,TLB:5:6:11.13:9.8,THB:12:11:9.8:6|

Cc1nc(Cc2cc(C(=O)CN3C4CCC3[C@@H](O)C4)c(C)n2-c2ccc(cc2)C#N)cs1 |r,TLB:10:11:16.18:14.13,THB:17:16:14.13:11|

Cc1c(cc(CCCC2(C)COC2)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:24:25:30.32:28.27,THB:31:30:28.27:25|

Cc1c(cc(CCC2COC2)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:22:23:28.30:26.25,THB:29:28:26.25:23|

Cc1c(cc(CC2CCOCC2)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:23:24:29.31:27.26,THB:30:29:27.26:24|

Cc1c(cc(C[C@H]2C[C@@H](C2)C#N)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,wU:8.10,wD:6.5,29.33,TLB:23:24:29.31:27.26,THB:30:29:27.26:24,(-3.57,-.98,;-2.24,-.21,;-1.76,1.25,;-.22,1.25,;.25,-.21,;1.74,-.61,;2.83,.48,;4.37,.48,;4.37,2.02,;2.83,2.02,;5.46,3.1,;6.55,4.19,;-.99,-1.12,;-.99,-2.66,;-2.33,-3.43,;-2.33,-4.97,;-.99,-5.74,;.34,-4.97,;.34,-3.43,;-.99,-7.28,;-.99,-8.82,;-2.85,2.34,;-4.34,1.94,;-2.45,3.83,;-3.54,4.92,;-4.64,6,;-3.3,6.77,;-2.9,8.26,;-4.24,7.49,;-5.78,7.49,;-6.55,8.82,;-6.18,6,)|

Cc1c(C(=O)CN2C3CCC2[C@@H](O)C3)c(Cl)c(\C=C\CC(C)(C)C#N)n1-c1ccc(cc1)C#N |r,TLB:5:6:11.13:9.8,THB:12:11:9.8:6|

Cc1c(cc(C#N)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:18:19:24.26:22.21,THB:25:24:22.21:19|

Cc1c(cc(CC[Si](C)(C)C)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:22:23:28.30:26.25,THB:29:28:26.25:23|

Cc1c(cc(CCCC2CC(C)(C)OC2=O)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:27:28:33.35:31.30,THB:34:33:31.30:28|

Cc1c(cc(\C=C\CC2CC(C)(C)OC2=O)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:27:28:33.35:31.30,THB:34:33:31.30:28|

C[C@H]1CC2CCC1N2CC(=O)c1cc(CC2COC2)n(c1C)-c1ccc(cc1)C#N |r,TLB:0:1:5.4:7,THB:8:7:1.2:5.4|

Cc1c(cc(CC2COC2)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1CC2 |TLB:21:22:28.27:24.25|

Cc1c(cc(CCC2(C)COC2)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:23:24:29.31:27.26,THB:30:29:27.26:24|

C[C@H]1CC2CCC1N2CC(=O)c1cc(CC2COC2)n(c1C)-c1ccc(cc1)C#N |r,TLB:8:7:5.4:1.2,0:1:5.4:7|

Cc1c(cc(C#CC2COC2)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:22:23:28.30:26.25,THB:29:28:26.25:23|

Cc1cc(C(=O)CN2C3CCC2CC3)c(C)n1-c1ccc(cc1)C#N |TLB:6:7:13.12:9.10|

Cc1cc(C(=O)CN2C3CCC2[C@@H](O)C3)c(C)n1-c1ccc(cc1)C#N |r,TLB:6:7:12.14:10.9,THB:13:12:10.9:7|

Cc1cc(C(=O)CN2[C@@H]3CC[C@@H]2CC(O)C3)c(C)n1-c1ccc(cc1)C#N |r,TLB:6:7:9.10:12.15.13,14:13:9.10:7|

Cc1cc(C(=O)CN2[C@@H]3CC[C@@H]2CC(O)C3)c(C)n1-c1ccc(cc1)C#N |r,TLB:6:7:9.10:12.15.13,THB:14:13:9.10:7|

Cc1cc(C(=O)CN2[C@@H]3CC[C@@H]2CC(C)(O)C3)c(C)n1-c1ccc(cc1)C#N |r,TLB:6:7:9.10:12.16.13,15:13:9.10:7,THB:14:13:9.10:7|

Cc1cc(C(=O)CN2C3CCC2CCC3)c(C)n1-c1ccc(cc1)C#N |TLB:6:7:9.10:12.14.13|

CO[C@H]1CC2CCC1N2CC(=O)c1cc(C)n(c1C)-c1ccc(cc1)C#N |r,TLB:1:2:6.5:8,THB:9:8:2.3:6.5|

Cc1cc(C(=O)CN2C3CCC2[C@@](C)(O)C3)c(C)n1-c1ccc(cc1)C#N |r,TLB:6:7:12.15:10.9,13:12:10.9:7,THB:14:12:10.9:7|

Cc1cc(C(=O)CN2C3CCC2[C@@](O)(C3)C(C)(C)C)c(C)n1-c1ccc(cc1)C#N |r,TLB:6:7:12.14:10.9,15:12:10.9:7,THB:13:12:10.9:7|

Cc1cc(C(=O)CN2C3CCC2[C@@](O)(C3)C(F)(F)F)c(C)n1-c1ccc(cc1)C#N |r,TLB:6:7:12.14:10.9,15:12:10.9:7,THB:13:12:10.9:7|

Cc1cc(C(=O)CN2[C@@H]3CC[C@@H]2CC(O)(C3)C(F)(F)F)c(C)n1-c1ccc(cc1)C#N |r,TLB:6:7:9.10:12.15.13,14:13:9.10:7,THB:16:13:9.10:7|

Cc1cc(C(=O)CN2[C@@H]3CC[C@@H]2CC(O)(C3)C(F)(F)F)c(C)n1-c1ccc(cc1)C#N |r,TLB:6:7:9.10:12.15.13,16:13:9.10:7,THB:14:13:9.10:7|

Cc1c(C)n(c(C)c1C(=O)CN1C2CCC1[C@@H](O)C2)-c1ccc(cc1)C#N |r,TLB:10:11:16.18:14.13,THB:17:16:14.13:11|

Cc1c(Cl)c(C(=O)CN2C3CCC2[C@@H](O)C3)c(C)n1-c1ccc(cc1)C#N |r,TLB:7:8:13.15:11.10,THB:14:13:11.10:8|

Cc1c(F)c(C(=O)CN2C3CCC2[C@@H](O)C3)c(C)n1-c1ccc(cc1)C#N |r,TLB:7:8:13.15:11.10,THB:14:13:11.10:8|

Cc1c(C(=O)CN2C3CCC2[C@@H](O)C3)c(c(C)n1-c1ccc(cc1)C#N)C(C)(F)F |r,TLB:5:6:11.13:9.8,THB:12:11:9.8:6|

Cc1cc(C(=O)CN2C3CC4CC(C3)CC2C4)c(C)n1-c1ccc(cc1)C#N |TLB:6:7:9:12.11.13,THB:11:12:7:9.10.16,11:10:7:12.14.13,6:7:12.14.13:9.10.16,14:12:9:7.15.16,14:15:9:12.11.13|

Cc1cc(C(=O)CN2C3CC4CC2CC(O)(C4)C3)c(C)n1-c1ccc(cc1)C#N |TLB:6:7:9:14.16.17,6:7:14.13.17:9.10.11,15:14:9:7.12.11,THB:16:14:7:9.10.11,16:10:7:14.13.17,13:14:9:7.12.11,13:12:9:14.16.17|

Cc1cc(C(=O)CN2C3C[C@@H](O)C2CCC3)c(C)n1-c1ccc(cc1)C#N |r,TLB:6:7:10.9:15.13.14,THB:11:10:7:15.13.14|

Cc1cc(C(=O)CN2C3C[C@H](O)C2CCC3)c(C)n1-c1ccc(cc1)C#N |r,TLB:6:7:10.9:15.13.14,11:10:7:15.13.14|

Cc1cc(C(=O)CN2C3CC4CC2CC(C3)O4)c(C)n1-c1ccc(cc1)C#N |TLB:6:7:9:14.16.15,6:7:14.13.15:9.10.11,THB:16:14:7:9.10.11,16:10:7:14.13.15,13:14:9:7.12.11,13:12:9:14.16.15|

Cc1cc(C(=O)CN2C3CCCC2CC(O)C3)c(C)n1-c1ccc(cc1)C#N |TLB:15:14:7:9.10.11|

Cc1cc(C(=O)CN2C3CCCC2CC(O)C3)c(C)n1-c1ccc(cc1)C#N |THB:15:14:7:9.10.11|

Cc1cc(C(=O)CN2C3CCCC2CCC3)c(C)n1-c1ccc(cc1)C#N

COC1C[C@H]2CC[C@H](C1)N2CC(=O)c1cc(C)n(c1C)-c1ccc(cc1)C#N |r,TLB:10:9:5.6:8.3.2,1:2:5.6:9|

COC1C[C@H]2CC[C@H](C1)N2CC(=O)c1cc(C)n(c1C)-c1ccc(cc1)C#N |r,TLB:10:9:5.6:8.3.2,THB:1:2:5.6:9|

Cc1cc(C(=O)CN2C3CCC2[C@@H](O)C3)c(C)n1-c1ccc(C#N)c(F)c1 |r,TLB:6:7:12.14:10.9,THB:13:12:10.9:7|

Cc1cc(C(=O)CN2C3CCC2[C@@H](O)C3)c(C)n1-c1ccc(cc1F)C#N |r,wD:12.13,TLB:6:7:12.14:10.9,THB:13:12:10.9:7,(4.02,-.98,;2.69,-.21,;2.21,1.25,;.67,1.25,;-.42,2.34,;-1.9,1.94,;-.02,3.83,;-1.11,4.92,;-2.2,6,;-.87,6.77,;-.47,8.26,;-1.8,7.49,;-3.34,7.49,;-4.11,8.82,;-3.74,6,;.2,-.21,;-1.14,-.98,;1.44,-1.12,;1.44,-2.66,;.11,-3.43,;.11,-4.97,;1.44,-5.74,;2.78,-4.97,;2.78,-3.43,;4.11,-2.66,;1.44,-7.28,;1.44,-8.82,)|

Cc1cc(C(=O)CN2[C@@H]3CC4OC(C[C@H]24)C3)c(C)n1-c1ccc(cc1)C#N |r,TLB:9:8:13:10.11,6:7:10.9:15.13.12,THB:6:7:13:10.11,11:10:7:15.13.12,11:12:10.9:7|

Cc1cc(C(=O)CN2C3CCC2[C@@H](O)C3)c(C)n1-c1cc(F)c(C#N)c(F)c1 |r,TLB:6:7:12.14:10.9,THB:13:12:10.9:7|

Cc1c(cc(Cl)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:17:18:23.25:21.20,THB:24:23:21.20:18|

Cc1c(C(=O)CN2C3CCC2[C@@H](O)C3)c(Cl)c(Cl)n1-c1ccc(cc1)C#N |r,TLB:5:6:11.13:9.8,THB:12:11:9.8:6|

Cc1c(cc(C2CC2)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:19:20:25.27:23.22,THB:26:25:23.22:20|

Cc1cc(C(=O)CN2C3CCC2[C@@H](O)C3)c(C)n1-c1ccc(C#N)c(F)c1F |r,wD:12.13,TLB:6:7:12.14:10.9,THB:13:12:10.9:7,(4.02,-.98,;2.69,-.21,;2.21,1.25,;.67,1.25,;-.42,2.34,;-1.9,1.94,;-.02,3.83,;-1.11,4.92,;-2.2,6,;-.87,6.77,;-.47,8.26,;-1.8,7.49,;-3.34,7.49,;-4.11,8.82,;-3.74,6,;.2,-.21,;-1.14,-.98,;1.44,-1.12,;1.44,-2.66,;.11,-3.43,;.11,-4.97,;1.44,-5.74,;1.44,-7.28,;1.44,-8.82,;2.78,-4.97,;4.11,-5.74,;2.78,-3.43,;4.11,-2.66,)|

C[C@H]1CC2CCC1N2CC(=O)c1cc(C)n(c1C)-c1ccc(cc1)C#N |r,TLB:0:1:5.4:7,THB:8:7:1.2:5.4|

C[C@H]1CC2CCC1N2CC(=O)c1c(C)n(c(C)c1F)-c1ccc(cc1)C#N |r,TLB:0:1:5.4:7,THB:8:7:1.2:5.4|

Cc1cc(C(=O)CN2C3CCC2[C@H](C3)C(F)(F)F)c(C)n1-c1ccc(cc1)C#N |r,TLB:6:7:12.13:10.9,THB:14:12:10.9:7|

Cc1c(F)c(C(=O)CN2C3CCC2[C@H](C3)C(F)(F)F)c(C)n1-c1ccc(cc1)C#N |r,TLB:7:8:13.14:11.10,THB:15:13:11.10:8|

Cc1c(F)c(C(=O)CN2C3CCC2CC3)c(C)n1-c1ccc(cc1)C#N |TLB:7:8:14.13:10.11|

Cc1cc(C(=O)CN2C3CCC2[C@H](C3)OC(F)(F)F)c(C)n1-c1ccc(cc1)C#N |r,TLB:6:7:12.13:10.9,THB:14:12:10.9:7|

Cc1cc(C(=O)CN2C3CCC2[C@@H]2COC[C@H]32)c(C)n1-c1ccc(cc1)C#N |r,TLB:6:7:16.12:9.10,THB:15:16:9.10:7|

Cc1cc(C(=O)CN2C3CCC2[C@@H](O)C3)c(C)n1-c1cc(F)c(cc1F)C#N |r,wD:12.13,TLB:6:7:12.14:10.9,THB:13:12:10.9:7,(4.02,-.98,;2.69,-.21,;2.21,1.25,;.67,1.25,;-.42,2.34,;-1.9,1.94,;-.02,3.83,;-1.11,4.92,;-2.2,6,;-.87,6.77,;-.47,8.26,;-1.8,7.49,;-3.34,7.49,;-4.11,8.82,;-3.74,6,;.2,-.21,;-1.14,-.98,;1.44,-1.12,;1.44,-2.66,;2.78,-3.43,;2.78,-4.97,;4.11,-5.74,;1.44,-5.74,;.11,-4.97,;.11,-3.43,;-1.22,-2.66,;1.44,-7.28,;1.44,-8.82,)|

Cc1c(cc(C2CCC2)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:20:21:26.28:24.23,THB:27:26:24.23:21|

Cc1c(cc(n1-c1ccc(cc1)C#N)C(F)(F)F)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:20:21:26.28:24.23,THB:27:26:24.23:21|

Cc1c(cc(C2CCCC2)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:21:22:27.29:25.24,THB:28:27:25.24:22|

Cc1c(cc(C2CCCCC2)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:22:23:28.30:26.25,THB:29:28:26.25:23|

CC(C)c1cc(C(=O)CN2C3CCC2[C@@H](O)C3)c(C)n1-c1ccc(cc1)C#N |r,TLB:8:9:14.16:12.11,THB:15:14:12.11:9|

Cc1c(cc(n1-c1ccc(cc1)C#N)C(C)(C)C)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:20:21:26.28:24.23,THB:27:26:24.23:21|

CCC(C)c1cc(C(=O)CN2C3CCC2[C@@H](O)C3)c(C)n1-c1ccc(cc1)C#N |r,TLB:9:10:15.17:13.12,THB:16:15:13.12:10|

Cc1c(cc(CC(F)(F)F)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:21:22:27.29:25.24,THB:28:27:25.24:22|

Cc1c(F)c(C(=O)CN2C3CC4CC2CC(C3)O4)c(C)n1-c1ccc(C#N)c(F)c1 |TLB:7:8:10:15.17.16,7:8:15.14.16:10.11.12,THB:17:15:8:10.11.12,17:11:8:15.14.16,14:15:10:8.13.12,14:13:10:15.17.16|

Cc1cc(C(=O)CN2C3CCC2[C@@H](O)C3)c(C)n1-c1ccc(Cl)c(F)c1 |r,TLB:6:7:12.14:10.9,THB:13:12:10.9:7|

Cc1cc(C(=O)CN2C3CCC2[C@@H](O)C3)c(C)n1-c1cc(F)c(Cl)c(F)c1 |r,TLB:6:7:12.14:10.9,THB:13:12:10.9:7|

Cc1c(cc(Br)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:17:18:23.25:21.20,THB:24:23:21.20:18|

Cc1c(F)c(C(=O)CN2C3CCC2[C@@H](O)C3)c(C)n1-c1ccc(C#N)c(F)c1 |r,TLB:7:8:13.15:11.10,THB:14:13:11.10:8|

C[C@@H]1CC2CCC1N2CC(=O)c1c(C)n(c(C)c1F)-c1ccc(cc1)C#N |r,TLB:0:1:5.4:7,THB:8:7:1.2:5.4|

C[C@@H]1CC2CCC1N2CC(=O)c1cc(C)n(c1C)-c1ccc(cc1)C#N |r,TLB:0:1:5.4:7,THB:8:7:1.2:5.4|

C[C@H]1[C@@H](C)C2CCC1N2CC(=O)c1cc(C)n(c1C)-c1ccc(cc1)C#N |r,TLB:0:1:6.5:8,3:2:6.5:8,THB:9:8:1.2:6.5|

Cc1cc(C(=O)CN2C3CCC2(C)CC3)c(C)n1-c1ccc(cc1)C#N |THB:6:7:10.9:13.14|

Cc1cc(C(=O)CN2C3CCC2(CO)CC3)c(C)n1-c1ccc(cc1)C#N |THB:6:7:10.9:14.15|

Cc1cc(C(=O)CN2C3CCC2(CC3)C(O)=O)c(C)n1-c1ccc(cc1)C#N |THB:6:7:10.9:12.13|

Cc1nc(Cc2c(Cl)c(C(=O)CN3C4CCC3[C@@H](O)C4)c(C)n2-c2ccc(cc2)C#N)cs1 |r,TLB:11:12:17.19:15.14,THB:18:17:15.14:12|

Cc1nc(Cc2c(Br)c(C(=O)CN3C4CCC3[C@@H](O)C4)c(C)n2-c2ccc(cc2)C#N)cs1 |r,TLB:11:12:17.19:15.14,THB:18:17:15.14:12|

Cc1cc(C(=O)CN2C3CCC2[C@@H](CO)C3)c(C)n1-c1ccc(cc1)C#N |r,TLB:6:7:12.15:10.9,THB:13:12:10.9:7|

Cc1c(cc(C2CC(F)(F)C2)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:22:23:28.30:26.25,THB:29:28:26.25:23|

Cc1c(cc(C2CC(F)C2)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,wD:27.31,TLB:21:22:27.29:25.24,THB:28:27:25.24:22,(-2.97,-.98,;-1.63,-.21,;-1.16,1.25,;.38,1.25,;.86,-.21,;2.35,-.61,;3.12,-1.95,;4.45,-1.18,;5.94,-1.58,;3.68,.16,;-.39,-1.12,;-.39,-2.66,;-1.72,-3.43,;-1.72,-4.97,;-.39,-5.74,;.95,-4.97,;.95,-3.43,;-.39,-7.28,;-.39,-8.82,;-2.24,2.34,;-3.73,1.94,;-1.85,3.83,;-2.93,4.92,;-4.03,6,;-2.7,6.77,;-2.3,8.26,;-3.63,7.49,;-5.17,7.49,;-5.94,8.82,;-5.57,6,)|

Cc1c(cc(CC2CCC2)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:21:22:27.29:25.24,THB:28:27:25.24:22|

Cc1c(cc(CC2CC(C)(C)C2)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:23:24:29.31:27.26,THB:30:29:27.26:24|

Cc1c(cc(CC2CC(F)(F)C2)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:23:24:29.31:27.26,THB:30:29:27.26:24|

C[C@H]1CC2CCC1N2CC(=O)c1cc(C#N)n(c1C)-c1ccc(cc1)C#N |r,TLB:0:1:5.4:7,THB:8:7:1.2:5.4|

Cc1c(cc(C#N)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1CC2 |TLB:18:19:25.24:21.22|

C[C@H]1[C@@H](C)C2CCC1N2CC(=O)c1cc(C)n(c1C)-c1ccc(cc1)C#N |r,TLB:3:2:5.6:8,0:1:5.6:8,THB:9:8:2.1:5.6|

Cc1cc(C(=O)CN2C3CCC2[C@@H]2OCC[C@H]32)c(C)n1-c1ccc(cc1)C#N |r,TLB:6:7:16.12:9.10,THB:15:16:9.10:7|

C[C@H]1[C@H](C)C2CCC1N2CC(=O)c1cc(C)n(c1C)-c1ccc(cc1)C#N |r,TLB:0:1:6.5:8,3:2:6.5:8,THB:9:8:1.2:6.5|

Cc1cc(C(=O)CN2C3CCC2C(=C3)C(F)(F)F)c(C)n1-c1ccc(cc1)C#N |c:13,TLB:6:7:12.13:10.9,THB:14:12:10.9:7|

C[C@@H]1C[C@H]1c1cc(C(=O)CN2C3CCC2[C@@H](O)C3)c(C)n1-c1ccc(cc1)C#N |r,TLB:9:10:15.17:13.12,THB:16:15:13.12:10|

CC(O)C12CCC(CC1)N2CC(=O)c1cc(C)n(c1C)-c1ccc(cc1)C#N |THB:10:9:4.5:8.7|

Cc1nc(cs1)-c1cc(C(=O)CN2C3CCC2[C@@H](O)C3)c(C)n1-c1ccc(cc1)C#N |r,TLB:11:12:17.19:15.14,THB:18:17:15.14:12|

Cc1c(cc(-c2csc(n2)C(F)(F)F)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:25:26:31.33:29.28,THB:32:31:29.28:26|

Cc1c(cc(-c2nccs2)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:21:22:27.29:25.24,THB:28:27:25.24:22|

Cc1ncc(s1)-c1cc(C(=O)CN2C3CCC2[C@@H](O)C3)c(C)n1-c1ccc(cc1)C#N |r,TLB:11:12:17.19:15.14,THB:18:17:15.14:12|

Cc1cc(C(=O)CN2C3CCC2[C@@H](CC(C)(C)O)C3)c(C)n1-c1ccc(cc1)C#N |r,TLB:6:7:12.18:10.9,THB:13:12:10.9:7|

Cc1c(F)c(C(=O)CN2C3CCC2C(=C3)C(F)(F)F)c(C)n1-c1ccc(cc1)C#N |c:14,TLB:7:8:13.14:11.10,THB:15:13:11.10:8|

C[C@@H](C1CCC1)c1cc(C(=O)CN2C3CCC2[C@@H](O)C3)c(C)n1-c1ccc(cc1)C#N |r,TLB:11:12:17.19:15.14,THB:18:17:15.14:12|

C[C@H](C1CCC1)c1cc(C(=O)CN2C3CCC2[C@@H](O)C3)c(C)n1-c1ccc(cc1)C#N |r,TLB:11:12:17.19:15.14,THB:18:17:15.14:12|

Cc1c(cc(\C=C\CN2C(=O)c3ccccc3C2=O)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:30:31:36.38:34.33,THB:37:36:34.33:31|

Cc1c(cc(CCCOC(F)(F)F)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:24:25:30.32:28.27,THB:31:30:28.27:25|

Cc1c(cc(\C=C\CN)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:20:21:26.28:24.23,THB:27:26:24.23:21|

Cc1c(cc(CC2(Cl)CCC2)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:22:23:28.30:26.25,THB:29:28:26.25:23|

Cc1c(cc(CC23CC(C2)C3)n1-c1ccc(cc1)C#N)C(=O)CN1C2CCC1[C@@H](O)C2 |r,TLB:22:23:28.30:26.25,THB:29:28:26.25:23|

Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(F)cc1

C[C@H]1CNCC[C@H]1Oc1c(C)cc(Cl)cc1-c1ccnc2cc(CN3C(=O)C4C(C3=O)C4(C)C)sc12 |r|

CC(=O)Nc1nc2ccccn2c1-c1ccc(O)cc1

Nc1nc2ccccn2c1-c1ccc(O)cc1

CN(C)c1nc2ccccn2c1-c1ccc(O)cc1

CNc1nc2ccccn2c1-c1ccc(O)cc1

CC(C)Nc1nc2ccccn2c1-c1ccc(O)cc1

COc1ccc(cc1)-c1c(N)nc2ccccn12

Nc1nc2ccc(cn2c1-c1ccc(O)cc1)C(F)(F)F

Nc1nc2cc(ccn2c1-c1ccc(O)cc1)C(F)(F)F

Nc1nc2c(cccn2c1-c1ccc(O)cc1)C(F)(F)F

Cc1ccc2nc(N)c(-c3ccc(O)cc3)n2c1

Cc1ccn2c(c(N)nc2c1)-c1ccc(O)cc1

Cc1cccn2c(c(N)nc12)-c1ccc(O)cc1

Nc1nc2cc(ccn2c1-c1ccc(O)cc1)C1CCNCC1

Cc1cc(C(=O)CN2CCCCC2)c(C)n1-c1ccc(F)cc1

Cc1cc(C(=O)CN2CCC(O)CC2)c(C)n1-c1ccc(cc1)C#N

[O-][N+](=O)c1cc(\C=C2/CCN(C\C(=C/c3ccc(F)c(c3)[N+]([O-])=O)C2=O)C(=O)C=C)ccc1F

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12