Compound Name

SMILES String

C(C1CCCCC1)c1nc(c[nH]1)-c1ccc(cc1)-c1ccccc1

C(C1COc2ccccc2O1)N1CCCCC1

C(CC1CCCCC1)Cc1nc(c[nH]1)-c1ccc(cc1)-c1ccccc1

C(Cc1nc(c[nH]1)-c1ccc(cc1)-c1ccccc1)C1CCCCC1

C(\C=C\c1ccccc1)N1CCC(CC1)c1ccc(Oc2ccccc2)cc1

C(\C=C\c1ccccc1)N1CCN(CC1)C(c1ccccc1)c1ccccc1

C1[C@@H](N[C@@H](c2[nH]c3ccccc3c12)c1ccccc1)c1nc(c[nH]1)-c1ccccc1

CC(=O)OC1Cc2ccccc2N(C(N)=O)c2ccccc12

CC(=O)O[C@@H]1Cc2ccccc2N(C(N)=O)c2ccccc12

CC(=O)O[C@H]1Cc2ccccc2N(C(N)=O)c2ccccc12

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

CC(C)(C)NCC(CO)O\N=C1\C2C=CC=CC2c2ccccc12 |c:13,15|

CC(C)(C)[C@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc([C@H]2C1)c34 |r|

CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34

CC(C)CNCCOC(=O)c1ccc(N)cc1

CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1

CC(C)Cn1c2[nH]cnc2c(=O)n(C)c1=O

CC(C)NC(C)C(O)COc1ccc(C)c2CCCc12

CC(C)NCC(O)c1ccc(Cl)c(Cl)c1

CC(C)NC[C@@H](O)COc1cccc2ccccc12

CC(C)NC[C@H](O)COc1cccc2ccccc12 |r|

CC(CN1c2ccccc2Sc2ccccc12)N(C)C

CC(CNC1CCCCC1)OC(=O)c1ccccc1

CC(COc1ccccc1)N(CCCl)Cc1ccccc1

CC(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1

CC(N)COc1c(C)cccc1C

CC12CC[C@@]3(CC1CCC[C@@]2(CO)O3)OCc1cccc(Br)c1 |TLB:7:6:10.13:2.3,3:4:1:9.7.8,11:10:6.5:2.3,THB:0:1:4.13.5:9.7.8,9:10:6.5:2.3|

CC12N(CCc3ccccc13)C(=O)NC2=O

CC1=CC(=O)O[C@H]2C[C@H]3O[C@@]4(C)C\C=C/[C@H]5O[C@H]6C[C@H]7O[C@H](CC(=C)C=O)C[C@H](O)[C@]7(C)O[C@@H]6C[C@@H]5O[C@@H]4C[C@]3(C)O[C@]12C |c:13,t:1|

CC1C2CC(CC1C(=O)OC1(C)CCN(C)CC1)C2(C)C

CC1CCCCN1CCCOC(=O)c1ccc(OC2CCCCC2)cc1

CC1CCCCN1CCCOC(=O)c1ccccc1

CCC(=O)OC1CCN(C)CC1

CCC1(C(=O)NC(=O)NC1=O)c1ccccc1

CCC1(OC(=O)N(C)C1=O)c1ccccc1

CCC1(OC(=O)NC1=O)c1ccccc1

CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1

CCCC(CCC)c1nc(c[nH]1)-c1ccc(F)cc1

CCCC(CCC)c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(Br)cc1

CCCC(CCC)c1nc(c[nH]1)-c1ccc(cc1)-c1ccccc1

CCCC(CCC)c1nc(c[nH]1)-c1ccc(cc1)C(C)(C)C

CCCC1(NC(=O)NC1=O)c1ccccc1

CCCCC1(NC(=O)N(C)C1=O)c1ccccc1

CCCCC1(NC(=O)NC1=O)c1ccc(C)cc1

CCCCC1(NC(=O)NC1=O)c1cccc(C)c1

CCCCC1(NC(=O)NC1=O)c1ccccc1

CCCCC1(NC(=O)NC1=O)c1ccccc1C

CCCCC1=C(N(C)C)c2cc3OCOc3cc2C1 |c:4|

CCCCCC(CCCCC)c1nc(c[nH]1)-c1ccc(F)cc1

CCCCCC(CCCCC)c1nc(c[nH]1)-c1ccc(cc1)-c1ccccc1

CCCCCC(CCCCC)c1nc(c[nH]1)-c1ccccc1

CCCCCC1(NC(=O)NC1=O)c1ccccc1

CCCCCCC1(NC(=O)NC1=O)c1ccccc1

CCCCCCCC(O)(C(N)=O)c1ccccc1

CCCCCCCC1(NC(=O)NC1=O)c1ccccc1

CCCCCCCCCC1(NC(=O)NC1=O)c1ccccc1

CCCCCCc1nc(c[nH]1)-c1ccc(CC(C)C)cc1

CCCCCCc1nc(c[nH]1)-c1ccc(cc1)-c1ccccc1

CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1

CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C

CCCCNc1ccc(cc1)C(=O)OCCN(C)C

CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1

CCCCOc1cc(ccc1N)C(=O)OCCN(CC)CC

CCCCOc1ccc(OCCCN2CCOCC2)cc1

CCCCc1cc2ccccc2c(OCCN(C)C)n1

CCCN(CC)C(CC)C(=O)Nc1c(C)cccc1C

CCCNC(C)(C)COC(=O)c1ccccc1

CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC

CCCNC(C)C(=O)Nc1ccccc1C

CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC

CCCOc1ccc(cc1N)C(=O)OCCN(CC)CC

CCN(CC)CC(=O)Nc1c(C)cccc1C

CCN(CC)CC(C)OC(=O)c1ccccc1-c1ccccc1

CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12

CCN(CC)CCCN1C(=O)CC2(CCCc3ccccc23)C1=O

CCN(CC)CCCOC(=O)c1ccccc1-c1ccccc1

CCN(CC)CCCOC(=O)c1ccccc1CCc1ccccc1

CCN(CC)CCNC(=O)c1ccc(cc1)N=[N+]=[N-]

CCN(CC)CCOC(=O)C1(CCCCC1)C1CCCCC1

CCN(CC)CCOC(=O)c1ccc(N)cc1

CCN(CC)CCOC(=O)c1ccccc1-c1ccccc1

CCN(CC)CCOC(=O)c1ccccc1CCc1ccccc1

CCN1C(=O)NC(=O)C1(C)c1ccccc1

CCN1CCCC(C1)OC(=O)C(O)(C1CCCC1)c1ccccc1

CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC |c:5,t:8|

CCOC(=O)C1=C(C)NC(C)=C(C1c1cccc(Cl)c1Cl)C(=O)OC |c:5,10|

CCOC(=O)N1CCCC(OC)(C1=O)c1ccccc1

CCOC(=O)N1CCCCC(O)(c2ccccc2)C1=O

CCOC(=O)c1ccc(N)cc1

CCOc1ccc(N\C(C)=N\c2ccc(OCC)cc2)cc1

CCOc1ccc(cc1)C(=O)OCCN(CC)CC

CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1

CN(C(N)=Nc1cc(ccc1Cl)S(C)=O)c1cccc(c1)S(C)=O |w:4.4|

CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)c(c1)C(F)(F)F)(c1ccccc1)c1ccccc1

CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1

CN(C)CCC(c1ccc(Br)cc1)c1ccccn1

CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1

CN(C)CCC(c1ccccc1)c1ccccn1

CN(C)CCC=C1c2ccccc2COc2ccccc12

CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12

CN(C)CCCN1c2ccccc2CCc2ccccc12

CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12

CN(C)CCCN1c2ccccc2Sc2ccccc12

CN(C)CCC[C@@H](O)[C@@]12CCCC3C[C@](CCC13C)(OCc1ccccc1)O2 |TLB:11:12:8.27:16.15,9:8:12.13:16.15,THB:6:8:12.13:16.15,15:14:17:9.11.10,18:17:27.14.13:9.11.10|

CN(C)CCOC(c1ccccc1)c1ccccc1

CN(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12

CN(C1CCN(C[C@H](O)COc2ccc(F)c(F)c2)CC1)c1nc2ccccc2s1

CN1C(=O)OC(C)(C)C1=O

CN1CCC(C)(CC1)OC(=O)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:18:17:20:12.13.14,18:13:20:19.17.16|

CN1CCC(C)(CC1)OC(=O)c1ccccc1-c1ccccc1

CN1CCC(C)(CC1)OC(=O)c1ccccc1CCc1ccccc1

CN1CCC(CC1)OC(=O)c1c(C)[nH]c(C)c1C

CN1CCC(CC1)OC(=O)c1cc(C)c(C)cc1C

CN1CCC(CC1)OC(=O)c1ccc(C)cc1

CN1CCC(CC1)OC(=O)c1ccc(Cl)cc1

CN1CCC(CC1)OC(=O)c1ccc(cc1)-c1ccccc1

CN1CCC(CC1)OC(=O)c1ccc2ccccc2c1

CN1CCC(CC1)OC(=O)c1cccc(O)c1

CN1CCC(CC1)OC(=O)c1ccccc1-c1ccccc1

CN1CCC(CC1)OC(=O)c1ccccc1Br

CN1CCC(CC1)OC(=O)c1ccccc1C(=O)c1ccccc1

CN1CCC(CC1)OC(=O)c1ccccc1CCc1ccccc1

CN1CCC(CC1)OC(=O)c1ccccc1COc1ccccc1

CN1CCC(CC1)OC(=O)c1ccccc1Cc1ccccc1

CN1CCC(CC1)OC(=O)c1ccccc1Oc1ccccc1

CN1CCCC(O)(C1=O)c1ccccc1

CN1CCN(CC1)c1ncc(c(N)n1)-c1cc(Cl)cc(Cl)c1Cl

CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1

CN1CCN2C(C1)c1ccccc1Cc1ccccc21

CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |r,TLB:0:1:12.18.11:9|

CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10|

CNC(=O)[C@@H](CO)NCc1ccc(OCc2cccc(F)c2)cc1

CNC(=O)[C@H](CO)NCc1ccc(OCc2cccc(F)c2)cc1

CNCCCC1c2ccccc2C=Cc2ccccc12 |c:13|

CNCCCN1c2ccccc2CCc2ccccc12

COC(=O)C1=C(C)NC(C)=C(C1c1ccccc1[N+]([O-])=O)C(=O)OC |c:4,9|

COC(=O)C1=C(C)NC(C)=C(C1c1ccccc1[N+]([O-])=O)C(=O)OCC(C)C |c:4,9|

COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|

COC(=O)[C@H]1[C@H](C)CC(Nc2ccc(Cl)cc2)=CC1=O |c:17|

COC(=O)[C@H]1[C@H](C)CC(Nc2ccc(OC(F)(F)F)cc2)=CC1=O |c:21|

COC1(CCCNC1=O)c1ccccc1

COCCc1ccc(OCC(O)CNC(C)C)cc1

COC[C@H](CCOC(=O)c1ccccc1)C[C@@H](O)[C@@]12CCCC3C[C@](CCC13C)(OC)O2 |TLB:21:22:18.31:26.25,19:18:22.23:26.25,THB:28:27:31.24.23:19.21.20,16:18:22.23:26.25,25:24:27:19.21.20|

CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c1cc(OC)c(OC)c(OC)c1 |r|

CO[C@]12CCC3(C)C(CCC[C@@]3(CO)O1)C2 |TLB:3:2:5:10.8.9,12:11:7.15:4.3,8:7:11.14:4.3,THB:10:11:7.15:4.3,6:5:2.14.15:10.8.9|

CO[C@]12CCC3(C)C(CCC[C@]3(O1)[C@H](O)CCCN(C)C)C2 |TLB:13:11:7.21:4.3,3:2:5:10.8.9,8:7:11.12:4.3,THB:10:11:7.21:4.3,6:5:12.2.21:10.8.9|

CO[C@]12CCC3(C)C(CCC[C@]3(O1)[C@H](O)C[C@@H](CCOC(=O)c1ccccc1)CN(C)C)C2 |TLB:8:7:11.12:4.3,13:11:7.32:4.3,3:2:5:10.8.9,THB:6:5:12.2.32:10.8.9,10:11:7.32:4.3|

COc1cc(cc(OC)c1OC)C(=O)OCCCN(C)CCN(C)CCCOC(=O)c1cc(OC)c(OC)c(OC)c1

COc1cc(cc(OC)c1OC)C(=O)OCCCN1CCCN(CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)CC1

COc1cc2CCN3CC(CC(C)C)C(=O)CC3c2cc1OC

COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1

COc1ccc(CCC(=O)OC2CCN(C)CC2)cc1OC

COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2cc(OC)c(OC)c(OC)c2)cc1OC

COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC

COc1ccc(CCN(C)CCCC2(c3ccc(OC)c(OC)c3)S(=O)(=O)CCCS2(=O)=O)cc1OC

COc1ccc(CN(CCN(C)C)c2nccs2)cc1

COc1ccc(CNC(=O)C(N2CCN(CC(O)COc3c(C)cccc3C)CC2)c2ccc(C)cc2)cc1

COc1ccc(CNC(=O)C(N2CCN(CC(O)COc3c(C)cccc3C)CC2)c2ccc(F)cc2)cc1

COc1ccc(CNC(=O)C(N2CCN(CC(O)COc3c(C)cccc3C)CC2)c2ccc(OC)cc2)cc1

COc1ccc(CNC(=O)C(N2CCN(CC(O)COc3c(C)cccc3C)CC2)c2ccc(cc2)C(F)(F)F)cc1

COc1ccc(CNC(=O)C(N2CCN(CC(O)COc3ccc(OC)cc3)CC2)c2ccc(F)cc2)cc1

COc1ccc(CNC(=O)C(N2CCN(CC(O)COc3ccc(OC)cc3)CC2)c2ccc(cc2)C(F)(F)F)cc1

COc1ccc(CN[C@@H](C)C(N)=O)cc1

COc1ccc(OC)c(c1)C(O)C(C)NC(C)(C)C

COc1ccc(OC)c(c1)S(=O)(=O)NCC(N1CCN(CC(O)COc2ccc(Br)cc2)CC1)c1ccccc1

COc1ccc(OCC(O)CN2CCC(CC2)N(C(=O)c2ccc(Cl)cc2)c2ccc(F)cc2)cc1

COc1ccc(OCC(O)CN2CCC(CC2)N(C(=O)c2ccc(Cl)cc2)c2ccccc2)cc1

COc1ccc(OCC(O)CN2CCC(CC2)N(C(=O)c2ccc(OC)cc2)c2ccc(F)cc2)cc1

COc1ccc(OCC(O)CN2CCC(CC2)N(C(=O)c2ccc(OC)cc2)c2ccccc2)cc1

COc1ccc(OCC(O)CN2CCC(CC2)N(C(=O)c2ccccc2)c2ccc(F)cc2)cc1

COc1ccc(OCC(O)CN2CCC(CC2)N(C(=O)c2ccccc2)c2ccccc2)cc1

COc1ccc(OCC(O)CN2CCN(CC2)C(C(=O)NCc2ccccc2)c2ccc(C)cc2)cc1

COc1ccc(OCC(O)CN2CCN(CC2)C(C(=O)NCc2ccccc2)c2ccc(F)cc2)cc1

COc1ccc(OCC(O)CN2CCN(CC2)C(C(=O)NCc2ccccc2)c2ccc(cc2)C(F)(F)F)cc1

COc1ccc(OCC(O)CN2CCN(CC2)C(CNC(=O)c2ccc(F)cc2)c2ccccc2)cc1

COc1ccc(OCC(O)CN2CCN(CC2)C(CNC(=O)c2ccc(OC)cc2)c2ccccc2)cc1

COc1ccc(OCC(O)CN2CCN(CC2)C(CNC(=O)c2ccc(cc2)C(F)(F)F)c2ccccc2)cc1

COc1ccc(OCC(O)CN2CCN(CC2)C(CNC(=O)c2ccccc2)c2ccccc2)cc1

COc1ccc(OCC(O)CN2CCN(CC2)C(CNC(=O)c2ccccc2OC)c2ccccc2)cc1

COc1ccc(cc1)C(=O)NCC(N1CCN(CC(O)COc2ccc(Cl)cc2)CC1)c1ccccc1

COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O |r|

COc1ccc(cc1OC)C(=O)OC1CCN(C)CC1

COc1ccc2CC3C4CCCCC4(CCN3C)c2c1 |TLB:19:18:8:16.14.15,17:16:8:18.5.6|

COc1ccc2C[C@H]3[C@H]4CCCC[C@@]4(CCN3C)c2c1 |r,THB:17:16:5.18.6:8|

COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |THB:20:19:12.13:16.15,10:12:19.18:16.15|

COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15|

COc1cccc(OC)c1OCCNCC1=COc2ccccc2O1 |t:16|

COc1cccc(c1)C(=O)OC1CCN(C)CC1

COc1ccccc1C(=O)NCC(N1CCN(CC(O)COc2ccc(Cl)cc2)CC1)c1ccccc1

COc1ccccc1C(=O)OC1CCN(C)CC1

CSc1ccc(Cl)c(c1)N=C(N)N(C)c1cccc(c1)S(C)=O |w:9.9|

CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1

CSc1cccc(c1)N(C)C(N)=Nc1cc(SC)ccc1Cl |w:12.13|

CSc1cccc(c1)N(C)C(N)=Nc1cc(ccc1Cl)S(C)=O |w:12.13|

C[C@@H](NCc1ccc(NCc2cccc(F)c2)cc1)C(N)=O

C[C@@H](NCc1ccc(OCCCc2ccccc2)cc1)C(N)=O

C[C@@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O

C[C@@H]1C[C@@H]2O[C@@H]3C[C@@H]4OC(=O)C=C(C)[C@H]4O[C@@]3(C)C[C@H]2O[C@H]2CC[C@@]3(C)O[C@@]4(C)C[C@H]5O[C@H]6C[C@H]7O[C@@]8(C)[C@@H](O)C[C@@H](CC(=C)C=O)O[C@@H]8C[C@@H]7O[C@@H]6\C=C/C[C@]5(C)O[C@@H]4C[C@@H]3O[C@H]12 |r,c:59,t:11|

C[C@H](NCc1ccc(NCc2cccc(F)c2)cc1)C(N)=O

C[C@H](NCc1ccc(OCCCCCc2ccccc2)cc1)C(N)=O

C[C@H](NCc1ccc(OCCCCc2ccccc2)cc1)C(N)=O

C[C@H](NCc1ccc(OCCCc2ccccc2)cc1)C(N)=O

C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O

C[C@H](NCc1ccc(OCc2ccccc2)cc1)C(O)=O

Cc1ccc(cc1)C(N1CCN(CC(O)COc2c(C)cccc2C)CC1)C(=O)NCc1ccccc1

Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10|

Cc1cccc(C)c1OCC(O)CN1CCN(CC1)C(C(=O)NCc1ccccc1)c1ccc(F)cc1

Cc1cccc(C)c1OCC(O)CN1CCN(CC1)C(C(=O)NCc1ccccc1)c1ccc(cc1)C(F)(F)F

Cc1cccc(c1)S(=O)(=O)NCC(N1CCN(CC(O)COc2ccc(Br)cc2)CC1)c1ccc(cc1)C(F)(F)F

Cc1nc([nH]c1CN1CCN(CC1)C(c1ccccc1)c1ccccc1)-c1ccc(C)cc1

Cc1nc(c[nH]1)-c1ccc(cc1)-c1ccccc1

Cl.C=C(C1COC2(CCCCC2)OO1)c1ccc(Oc2cccc3ccccc23)cc1

Cl.NCCCCCCNS(=O)(=O)c1cccc2ccccc12

Cn1cnc2n(C)c(=O)n(C)c(=O)c12

Fc1ccc(Cc2ccc(cc2)C2CCN(C\C=C\c3ccccc3)CC2)cc1

Fc1ccc(cc1)-c1c[nH]c(CC2CCCCC2)n1

Fc1ccc(cc1)C(=O)CCCN1CCC(=CC1)n1c2ccccc2[nH]c1=O |c:16|

Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1

Fc1ccc(cc1)C(N1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1

N=C1CCCCCCCCCCCN1C1CCCC1c1ccccc1

NC(=O)N1c2ccccc2C=Cc2ccccc12 |c:11|

NC(=O)N1c2ccccc2CC(=O)c2ccccc12

NCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12

Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl

O=C(Nc1ccccc1)OCC(CN1CCCCC1)OC(=O)Nc1ccccc1

O=C1NC(=O)C(N1)(C1CCCCC1)c1ccccc1

O=C1NC(=O)C(N1)(c1ccccc1)c1ccccc1

O=C1NC(=O)C2(CCCCCc3ccccc23)N1

O=C1NC(=O)C2(CCCCc3ccccc23)N1

O=C1NC(=O)C2(CCCc3ccccc23)N1

O=C1NC(=O)C2(CCc3ccccc23)N1

O=C1NC2(CCCCCN1C2=O)c1ccccc1 |THB:11:10:1.2:8.4.7.5.6|

O=C1NC2(CCCCN1C2=O)c1ccccc1 |THB:10:9:1.2:7.4.6.5|

O=C1OC2(CCCCCN1C2=O)c1ccccc1 |THB:11:10:6.5.4.8.7:2.1|

O=C1O[C@@]2(CCCCCN1C2=O)c1ccccc1 |r,THB:11:10:6.5.4.8.7:2.1|

O=C1O[C@]2(CCCC[N@@]1C2=O)c1ccccc1 |THB:0:1:9:7.4.6.5|

OC(=O)C1=CCCN(CCOC(c2ccc(cc2)C(F)(F)F)c2ccc(cc2)C(F)(F)F)C1 |t:3|

OC(C1CCNCC1)(c1ccccc1)c1ccccc1

OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1

OC(CCN1CCCCC1)(C1CC2CC1C=C2)c1ccccc1 |c:17|

OC(COCC=C)CN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1

OC(COc1ccc(Cl)cc1)CN1CCN(CC1)C(CNC(=O)c1ccc(cc1)C(F)(F)F)c1ccccc1

OC(COc1ccc(F)cc1)CN1CCN(CC1)C(CNS(=O)(=O)c1ccccc1Cl)c1ccc(cc1)C(F)(F)F

OC(COc1ccccc1)CN1CCC(CC1)c1ccc(Cc2ccc(F)cc2)cc1

OC(COc1ccccc1)CN1CCN(CC1)C(CNC(=O)c1ccc(F)cc1)c1ccccc1

OC(COc1ccccc1)CN1CCN(CC1)C(c1ccccc1)c1ccc(cc1)C(F)(F)F

OC1(CCCCCNC1=O)c1ccccc1

OC1(CCCCNC1=O)c1ccccc1

OC1(CCCNC1=O)c1ccccc1

OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1

OC1=NC(=O)C(N1)(c1ccccc1)c1ccccc1 |t:1|

OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1

OCCOCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1

O[C@@H](COc1ccccc1)CN1CCC(CC1)c1ccc(Oc2ccccc2)cc1

O[C@H](COc1ccccc1)CN1CCC(CC1)c1ccc(Oc2ccccc2)cc1

[#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12

[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:16|

[#6]-[#7]-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12

[Cl-].CC[N+](CC)(CC)CC(=O)Nc1c(C)cccc1C

[Cl-].C[N+](C)(CC(=O)Nc1ccccc1)CC(=O)Nc1ccccc1

[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)c1ccc(OC)c(OC)c1 |r,TLB:33:32:4.3.2:37,4:30:1:34.35.36,39:34:1:30.31,THB:29:30:1:34.35.36,34:32:4.3.2:37|

[H][C@@]12C[C@@]3(O)[C@]4([H])[C@H](C(C)=C)[C@@]([H])(OC4=O)[C@@]4([H])OC(=O)C1(O2)[C@@]34C.[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 |r,TLB:47:32:35.36:28.45.38,8:7:13.14:3.23.16|

[H][C@@]12Cc3c(O)cccc3C(C)(CCN1CC(C)OCc1ccccc1)C2 |THB:15:14:3.9.2:26,8:9:26:14.12.13|

[H][C@@]12Cc3c(O)cccc3C(C)(CCN1C[C@@H](C)OC)C2(C)C |THB:15:14:20:9.3.2,8:9:20:14.12.13|

[H][C@@]12Cc3c(O)cccc3C(C)(CCN1C[C@@H](C)OCc1ccccc1)C2(C)C |THB:15:14:26:9.3.2,8:9:26:14.12.13|

[H][C@@]12Cc3c(O)cccc3C(C)(CCN1C[C@H](C)OC)C2(C)C |r,THB:15:14:20:9.3.2,8:9:20:14.12.13|

[H][C@@]12Cc3c(O)cccc3C(C)(CCN1C[C@H](C)OCc1ccccc1)C2(C)C |THB:15:14:26:9.3.2,8:9:26:14.12.13|

[H][C@@]12Cc3cc(O)ccc3C(C)(CCN1CCc1ccccc1)C2(C)C |THB:8:9:23:14.12.13,15:14:23:9.3.2|

[H][C@@]12Cc3cc(O)ccc3C(C)(CCN1C[C@@H](C)OCc1ccccc1)C2(C)C |THB:8:9:26:14.12.13,15:14:26:9.3.2|

[H][C@@]12Cc3cc(O)ccc3C(C)(CCN1C[C@@H](C)Oc1ccccc1)C2(C)C |THB:8:9:25:14.12.13,15:14:25:9.3.2|

[H][C@@]12Cc3cc(O)ccc3C(C)(CCN1C[C@H](C)OCc1ccccc1)C2(C)C |THB:8:9:26:14.12.13,15:14:26:9.3.2|

[H][C@@]12Cc3cc(O)ccc3C(C)(CCN1C[C@H](C)Oc1ccccc1)C2(C)C |THB:8:9:25:14.12.13,15:14:25:9.3.2|

[H][C@]12CCN(C[C@H]1CC)[C@@]([H])(C2)[C@H](O)c1ccnc2ccc(OCCC(C)C)cc12 |TLB:12:9:5.6:3.2,7:6:9.11:3.2|

[H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2|

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccccc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |c:5|

[H][C@]12Cc3c(O)cccc3C(C)(CCN1CCOCc1ccccc1)C2(C)C |THB:8:9:25:14.12.13,15:14:25:9.3.2|

[H][C@]12Cc3c(O)cccc3C(C)(CCN1C[C@@H](C)OC)C2(C)C |r,THB:15:14:20:9.3.2,8:9:20:14.12.13|

[H][C@]12Cc3c(O)cccc3C(C)(CCN1C[C@@H](C)OCC1CCCCC1)C2(C)C |THB:15:14:26:9.3.2,8:9:26:14.12.13|

[H][C@]12Cc3c(O)cccc3C(C)(CCN1C[C@@H](C)OCc1ccccc1)C2(C)C |THB:15:14:26:9.3.2,8:9:26:14.12.13|

[H][C@]12Cc3c(O)cccc3C(C)(CCN1C[C@@H](C)OCc1ccccc1)C2C |THB:15:14:26:9.3.2,8:9:26:14.12.13|

[H][C@]12Cc3c(O)cccc3C(C)(CCN1C[C@H](C)OC)C2(C)C |r,THB:15:14:20:9.3.2,8:9:20:14.12.13|

[H][C@]12Cc3c(O)cccc3C(C)(CCN1C[C@H](C)OCC1CCCCC1)C2(C)C |THB:15:14:26:9.3.2,8:9:26:14.12.13|

[H][C@]12Cc3c(O)cccc3C(C)(CCN1C[C@H](C)OCc1ccccc1)C2(C)C |THB:15:14:26:9.3.2,8:9:26:14.12.13|

[H][C@]12Cc3c(O)cccc3C(C)(CCN1C[C@H](C)OCc1ccccc1)C2C |THB:15:14:26:9.3.2,8:9:26:14.12.13|

[H][C@]12Cc3cc(O)ccc3C(C)(CCN1CC(C)OC)C2(C)C |THB:8:9:20:14.12.13,15:14:20:9.3.2|

[H][C@]12Cc3cc(O)ccc3C(C)(CCN1CCc1ccccc1)C2(C)C |THB:8:9:23:14.12.13,15:14:23:9.3.2|

[H][C@]12Cc3cc(O)ccc3C(C)(CCN1C[C@@H](C)OCc1ccccc1)C2(C)C |THB:8:9:26:14.12.13,15:14:26:9.3.2|

[H][C@]12Cc3cc(O)ccc3C(C)(CCN1C[C@@H](C)Oc1ccccc1)C2(C)C |THB:8:9:25:14.12.13,15:14:25:9.3.2|

[H][C@]12Cc3cc(O)ccc3C(C)(CCN1C[C@H](C)OCc1ccccc1)C2(C)C |THB:8:9:26:14.12.13,15:14:26:9.3.2|

[H][C@]12Cc3cc(O)ccc3C(C)(CCN1C[C@H](C)Oc1ccccc1)C2(C)C |THB:8:9:25:14.12.13,15:14:25:9.3.2|

[H][C@]12Cc3ccc(O)cc3C(C)(CCN1CC(C)OC)C2(C)C |THB:15:14:20:9.3.2,8:9:20:14.12.13|

[H][C@]12Cc3ccc(O)cc3[C@@]3(CCCC[C@]13[H])CCN2C |r,THB:20:19:15:2.9.3|

[H][C@]12Cc3ccc(OCc4cccc(F)c4)cc3C3(CCCCC13)CCN2[C@H](C)C(=O)NC |TLB:16:17:23:26.25.24,THB:27:26:23:17.2.3|

[H][C@]12Cc3ccc(OCc4cccc(F)c4)cc3C3(CCCCC13)CCN2[C@H](C)C(N)=O |TLB:16:17:23:26.25.24,THB:27:26:23:17.2.3|

[H][C@]12Cc3cccc(O)c3C(C)(CCN1CC(C)OC)C2(C)C |THB:15:14:20:9.3.2,7:9:20:14.12.13|

[H][C@]12Cc3ccccc3C(C)(CCN1C[C@H](C)OC)C2(C)C |r,THB:14:13:19:8.2.3,7:8:19:13.11.12|

[I-].CC1CCCC[N+]1(C)CCCOC(=O)c1ccccc1

[I-].CCCC(C(=O)OCC[N+](C)(CC)CC)(c1ccccc1)c1ccccc1

[I-].CCCC[N+]1(C)CCCCC1C(=O)Nc1c(C)cccc1C

[I-].C[N+](C)(C)CCOC(c1ccccc1)c1ccccc1