Compound Name

SMILES String

CC(C)c1c([nH]c2ccc(cc12)C1CCN(CC(N)=O)CC1)-c1cn2ncnc2c(C)c1C

COc1cc(cn2ncnc12)-c1[nH]c2cc(sc2c1C(C)C)C1CCNCC1

CC(C)c1c([nH]c2sc(C3CCN(CC3)C(=O)[C@H]3COCCN3)c(C)c12)-c1cn2ncnc2c(C)c1C |r|

CC(C)c1c([nH]c2sc(C3CCN(CC(N)=O)CC3)c(C)c12)-c1cn2ncnc2c(C)c1C

CC(C)c1c([nH]c2sc([C@@H]3C[C@@H]4C[C@H]3CN4CC(N)=O)c(C)c12)-c1cn2ncnc2c(C)c1C |r|

CNC(=O)CN1C[C@@H]2C[C@H]1C[C@H]2c1sc2[nH]c(c(C(C)C)c2c1C)-c1cn2ncnc2c(C)c1C |r|

CC(C)c1c([nH]c2sc([C@H]3C[C@@H]4CC[C@H](C3)N4CC(N)=O)c(C)c12)-c1cn2ncnc2c(C)c1C |r,THB:17:16:9.10.15:12.13|

CC(C)c1c([nH]c2sc([C@@H]3C[C@@H]4C[C@H]3CN4[C@@H](C)C(N)=O)c(C)c12)-c1cn2ncnc2c(C)c1C |r|

CC(C)N(CC[C@](c1ccccc1)(c2ccccn2)C(=O)N)C(C)C

C1CCN(CC1)c2c3c(c(nc(n3)N(CCO)CCO)N4CCCCC4)nc(n2)N(CCO)CCO

CN(C)CCCN1c2ccccc2CCc3c1cccc3

c1ccc2c(c1)c(c3c(n2)CCCC3)N

CN(C)CCOC(c1ccccc1)c1ccccc1C

Cc1nccn1CC2CCc3c(c4ccccc4n3C)C2=O

CNC(NC#N)=NCCSCc1[nH]cnc1C |w:6.6|

[#6]-[#7](-[#6])-[#6](=O)-[#6]-[#8]-[#6](=O)-[#6]-c1ccc(-[#8]-[#6](=O)-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])cc1

CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)N1CCCCC1)[N+]1(C)CCCCC1 |r|

NC(NC(N)=Nc1ccc(Cl)cc1)=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1 |w:13.14,20.20,23.23,5.5|

c1c(cc(c(c1Sc2cc(cc(c2O)Cl)Cl)O)Cl)Cl

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

CCOC(=O)c1ccc(OC(=O)CCCCCNC(N)=N)cc1

NC1=NCC2N1c1ccccc1Cc1ccccc21 |t:1|

[H]/N=C(c1ccc(cc1)NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)O)c4ccccn4)/N

c1cc(ccc1C(=N)N)OCCCCCOc2ccc(cc2)C(=N)N

COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC

Cn1c(NCCN(CCO)CCCc2ccc(cc2)[N+]([O-])=O)cc(=O)n(C)c1=O

[#7]\[#6](-[#7])=[#7]/c1nc(-[#6]-[#16]-[#6]-[#6]-[#6](=[#7])-[#7]S([#7])(=O)=O)cs1

c1cc(c2c(c1NCCNCCO)C(=O)c3c(ccc(c3C2=O)O)O)NCCNCCO

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1

CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |@:19,@@:9|

CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1

CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 |r,TLB:17:16:9.15.10:13.12|

CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)c4c5ccc(cc5on4)F

c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4

c1ccc2c(c1)NC(=O)N2C3CCN(CC3)CCCC(c4ccc(cc4)F)c5ccc(cc5)F

CCc1c2cc(ccc2nc3c1CN4C3=CC5=C(C4=O)COC(=O)[C@@]5(CC)O)OC(=O)N6CCC(CC6)N7CCCCC7

CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN(C)C)c4cc3Cn1c2=O |r|

Cc1ccccc1S(=O)(=O)NC(=O)c2ccc(c(c2)OC)Cc3cn(c4c3cc(cc4)NC(=O)OC5CCCC5)C

C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#C)O)O

c1ccc2c(c1)NC(=O)N2CCCN3CCC(CC3)N4c5ccc(cc5NC4=O)Cl

CN1C2CCCC1CC(C2)NC(=O)c1nn(C)c2ccccc12 |THB:10:8:1:3.5.4|

c1cnc(nc1)N2CCN(CC2)CCCCN3C(=O)CC4(CCCC4)CC3=O

C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@@H]5C[C@@H]6c7cccc8c7c(c[nH]8)C[C@H]6N(C5)C

COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)c4ccco4

C[C@H](C12CC3CC(C1)CC(C3)C2)N