Compound List
| Compound | Smiles | Mol |
|---|---|---|
|
C417
|
[O-][S+](CCC1CNC1)C1CCOC1 |
|
|
C418
|
c1cc(C23CCCCC2C3)[nH]n1 |
|
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C419
|
C1=CC(n2cccn2)CCC1 |
|
|
C421
|
CC(C(=O)NCc1ccon1)C1CCOC1 |
|
|
C422
|
O=C(NOC1CCOC1)N1CCN(c2cccnc2)C(=O)C1 |
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C424
|
CC1OCCC1[S+]([O-])CCC1CNC1 |
|
|
C426
|
c1ccc(N2CCNC3CC32)nc1 |
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|
C427
|
CC(CC(=O)N1CCOC(c2cc[nH]n2)C1)C1CCNCC1 |
|
|
C428
|
c1cc(NCCCNCc2ncc[nH]2)ccn1 |
|
|
C429
|
c1ccc(C(NCCCNc2ccncc2)c2ncc[nH]2)cc1 |
|
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C430
|
O=C1CC(CC(=O)N2CCCC(c3ccn[nH]3)C2)CC(=O)N1 |
|
|
C432
|
O=C1CCC(CN2CCCC(c3ccn[nH]3)C2)C(=O)N1 |
|
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C434
|
CC(C)n1ccnc1CNCCCNc1ccncc1 |
|
|
C436
|
CN(CC(O)CN(C)C(=O)C1(F)CCOC1)C(=O)c1cnc[nH]1 |
|
|
C437
|
CC(C)(C)n1ccnc1CNCCCNc1ccccc1 |
|
|
C438
|
CC(C)c1c[nH]c(CNCCCNc2ccccc2)n1 |
|
|
C439
|
c1ccc(NCCCNCc2nccn2C2CC2)cc1 |
|
|
C440
|
CN(Cc1cncs1)C(=O)c1c[nH]c(C(=O)O)c1 |
|
|
C442
|
CCc1ccnc(C(=O)N(C)CCCN(C)C(=O)c2cnc[nH]2)c1 |
|
|
C443
|
CN(Cc1cc[nH]n1)C(=O)Cc1scnc1-c1ccccc1 |
|
|
C444
|
CCn1cncc1CN(C)C(=O)C1C=CCN1 |
|
|
C445
|
O=S(=O)(c1cc[nH]n1)N1CCCC1CCl |
|
|
C447
|
CC(NS(=O)(=O)c1c[nH]c(C(=O)O)c1)c1cccnc1 |
|
|
C448
|
CCN(C(=O)c1c[nH]c(C(=O)O)c1)C(C)c1cccnc1 |
|
|
C449
|
CN(Cc1cncn1C)C(=O)C1CCN1 |
|
|
C450
|
Cc1cnc(CNC(C)c2ncc[nH]2)[nH]1 |
|
|
C451
|
CC(C)(CCNCc1ccc[nH]1)N1CCNCC1 |
|
|
C452
|
c1cc(N2CCCOCC2)ccn1 |
|
|
C454
|
CC(CO)(CC1COC1)c1ccncc1 |
|
|
C455
|
CN(CCNC(=O)CC1CCCCO1)C(=O)c1cccnc1 |
|
|
C461
|
O=C(C=Cc1cscn1)OCCCCC1CCCO1 |
|
|
C463
|
O=C1CCC(C(=O)N(CC2CCCO2)c2ccncc2)CC1 |
|
|
C464
|
COc1ccncc1C(=O)N(C)CCNC(=O)Cc1ccno1 |
|
|
C465
|
Cc1ncsc1CC(=O)N(C)Cc1ccns1 |
|
|
C466
|
O=C(O)c1cc(S(=O)(=O)NCc2ccncc2)c[nH]1 |
|
|
C468
|
O=C(O)c1cc(S(=O)(=O)N(CCCO)Cc2ccccn2)c[nH]1 |
|
|
C470
|
O=C(O)c1cc(S(=O)(=O)Nc2cnoc2)c[nH]1 |
|
|
C473
|
CC(O)c1ncc(CNC(CCc2ccccc2)CC(=O)O)s1 |
|
|
C475
|
S=c1[nH]nc(-c2ncc[nH]2)s1 |
|
|
C476
|
CCc1ncc(CNC(CCc2ccccc2)CC(=O)O)s1 |
|
|
C478
|
c1nc(-c2n[nH]c3c2CCCC3)c[nH]1 |
|
|
C479
|
Cc1ncc(COC(=O)COc2ccsc2)s1 |
|
|
C481
|
Cc1ncsc1COC(=O)COc1ccsc1 |
|
|
C483
|
CN(C)C(=O)Cc1ccc[nH]1 |
|
|
C485
|
O=C(CCCC1CCOC1)c1ncc[nH]1 |
|
|
C486
|
CC(=O)NCCN(Cc1ccsc1)C(=O)c1ccc(O)nc1 |
|
|
C488
|
c1ccc(-c2cccnc2)cc1 |
|
|
C490
|
c1c[nH]c(SCCSC2CCOC2)n1 |
|
|
C491
|
CC(=O)NCCN(Cc1ccsc1)C(=O)c1cnccc1O |
|
|
C493
|
CC(=O)NCCN(Cc1ccccc1)C(=O)c1cccnc1O |
|
|
C494
|
CCOC(=O)c1nc(CC)sc1-c1ccn[nH]1 |
|
|
C495
|
CC(Cc1ccncc1)(C(=O)O)n1cc(-c2ccncc2)cn1 |
|
|
C497
|
S=c1cc(-c2ccccn2)cn[nH]1 |
|
|
C498
|
CCOC(=O)CC(C)OC(=O)c1ccnn1-c1ccncc1 |
|
|
C500
|
c1cc(-c2cnc[nH]2)ccn1 |
|
|
C501
|
CC(O)CCNC(=O)Nc1ncc(CC2CCCOC2)s1 |
|
|
C503
|
CCCCN(CCCC)C(=O)Nc1ncc(CC2CCOC2)s1 |
|
|
C505
|
CC(CNC(=O)Nc1ncc(CC2CCOCC2)s1)S(N)(=O)=O |
|
|
C506
|
O=C(NCCc1cncs1)OC1COC1 |
|
|
C507
|
c1ccc(N2CCCOCC2)nc1 |
|
|
C508
|
c1cnn(C2CCOCC2)c1 |
|
|
C510
|
CC(CC1CCCCO1)(C(=O)O)n1ccc(C(F)(F)F)n1 |
|
|
C512
|
CSCC(C)CNC(C)c1cn(C)nc1C1CCOCC1 |
|
|
C514
|
Cc1nc(C(C)OC(=O)CNC(=O)Nc2ccccc2)cs1 |
|
|
C515
|
Cc1nc(-c2ccccn2)sc1C(=O)NC(C)C(C)C(=O)O |
|
|
C664
|
O=C(Nc1nc(-c2cnco2)cs1)C1CCCO1 |
|
|
C665
|
CC1CCN(CC(=O)NCC=Cc2cccnc2)CC1 |
|
|
C666
|
CC(CC(=O)Nc1c[nH]nc1-c1nccs1)n1cccc1 |
|
|
C667
|
O=C(CCCc1nccs1)Nc1c[nH]nc1-c1ccccc1 |
|
|
C668
|
c1cc(-c2ccc(CNCCc3cscn3)o2)[nH]n1 |
|
|
C669
|
Brc1cccnc1N1CCC12CC(c1ncc[nH]1)C2 |
|
|
C670
|
O=C(NCCc1nccs1)NCc1cc(-c2ccccc2)[nH]n1 |
|
|
C671
|
O=C(Cc1ncc[nH]1)Nc1cccc(C2CC2)n1 |
|
|
C672
|
CCCn1ccnc1C(=O)c1ccn[nH]1 |
|
|
C673
|
CC(C)(NC(=O)C=Cc1cn[nH]c1)c1nc(C(F)(F)F)cs1 |
|
|
C674
|
Cc1csc(C(C)(C)NC(=O)C=Cc2cn[nH]c2)n1 |
|
|
C675
|
O=C(NCCc1ccccn1)c1cccn1C1CCNCC1 |
|
|
C676
|
Cn1nc(-c2ccccn2)nc1-c1ncc[nH]1 |
|
|
C677
|
O=C(NCc1ccccn1)c1cccn1C1CCNCC1 |
|
|
C678
|
O=C(OCCc1cn[nH]c1)c1csc(Cl)n1 |
|
|
C679
|
Cc1ccc(CCOC(=O)CC(C)n2cccc2)cn1 |
|
|
C680
|
CC(C)C(=O)NC(C)c1ccc(F)cn1 |
|
|
C681
|
CC(Oc1cccnc1)C(=O)NCC(CO)c1cccnc1 |
|
|
C682
|
CCC(CNC(=O)Cn1ccnc1C)NCc1cscn1 |
|
|
C683
|
CCN(C(C)c1cccnc1)S(=O)(=O)Cc1cccnc1 |
|
|
C685
|
COc1cc(NCc2cncs2)ccn1 |
|
|
C686
|
CCn1cnc(C(O)C2CCCCN2)c1 |
|
|
C687
|
CC(NC(=O)NCc1ccnc(C2CC2)c1)c1cscn1 |
|
|
C688
|
Cn1cncc1-c1nnc(C2CCCCN2)o1 |
|
|
C689
|
Cc1nccn1CCCCNC(=O)C(=O)NCCC1CCCCN1 |
|
|
C690
|
CCC(C)n1nc(-c2ccncc2)nc1-c1ncc[nH]1 |
|
|
C692
|
CCCCCSCCn1ccnc1C(=O)c1ccncc1 |
|
|
C693
|
CC(CNC(=O)c1ccc(-c2nc[nH]n2)nc1)c1ncc[nH]1 |
|
|
C694
|
N#Cc1cc(-c2nc(-c3ncc[nH]3)no2)c[nH]1 |
|
|
C695
|
O=C(NCc1ncc[nH]1)c1ccnc(-n2cccc2)c1 |
|
|
C696
|
CC(NC(=O)c1ccnc(-n2cccc2)c1)c1ncc[nH]1 |
|
|
C697
|
c1ccn(-c2cc(-c3nc(-c4ncc[nH]4)no3)ccn2)c1 |
|
|
C698
|
c1ccc(-c2nnc(-c3ccc(-n4ccnc4)nn3)o2)nc1 |
|
|
C699
|
COC(=O)Cc1ncc(-c2cccnc2)[nH]1 |
|
|
C700
|
NCCCCc1ncc(-c2cccnc2)[nH]1 |
|