clean_smiles
stringlengths 18
103
| id
stringlengths 14
14
| value
float64 -87.36
10k
| scaffold
stringlengths 0
100
|
|---|---|---|---|
COC(C(=O)NCCC(C)NC(=O)c1cnnc(Cl)c1)C1CCC1
|
CP003461184182
| -27.55
|
O=C(CC1CCC1)NCCCNC(=O)c1ccnnc1
|
CCN(CCCNC(=O)CC1CC(F)C1)C(=O)c1ccnnc1Cl
|
CP003445604245
| -24.55
|
O=C(CC1CCC1)NCCCNC(=O)c1ccnnc1
|
Cc1nc(C(=O)NCC2CN(C(=O)C3CCOC3)CCCO2)c(C)o1
|
CP002424682689
| -37.29
|
O=C(NCC1CN(C(=O)C2CCOC2)CCCO1)c1cocn1
|
Cc1noc(COCC(=O)N2CCC3(C2)CN(C(=O)c2cncc(N)n2)C3)n1
|
CP001002327615
| -33.7
|
O=C(COCc1ncno1)N1CCC2(C1)CN(C(=O)c1cnccn1)C2
|
CCc1oncc1C(=O)NC[C@H](C)NC(=O)c1cn(CC2(C)COC2)nn1
|
CP002190447708
| -29.86
|
O=C(NCCNC(=O)c1cn(CC2COC2)nn1)c1cnoc1
|
COC(C)CCC(=O)N1CCC2(C1)CN(c1ccnc(-c3ccccc3)n1)C2
|
CP000449816232
| -36.89
|
c1ccc(-c2nccc(N3CC4(CCNC4)C3)n2)cc1
|
C=CC(O)C(=O)N1CC(CO)C2(C1)CN(c1ccnc(-c3ccccc3)n1)C2
|
CP000451950730
| -36.52
|
c1ccc(-c2nccc(N3CC4(CCNC4)C3)n2)cc1
|
COC1(C(=O)NCC2(CNc3nc(O)c4c(ncn4C)n3)CC2)CCCOC1
|
CP000445978847
| -43.31
|
O=C(NCC1(CNc2ncc3[nH]cnc3n2)CC1)C1CCCOC1
|
CCc1nnsc1C(=O)N1CC2(CC2)CC1CNC(=O)C1CS(=O)(=O)C1
|
CP002508180721
| -31.09
|
O=C(NCC1CC2(CC2)CN1C(=O)c1cnns1)C1CS(=O)(=O)C1
|
Cc1ncc(CC(=O)NCC(NC(=O)C2(O)CCC2)C2CCCCC2)s1
|
CP002822124499
| -33.2
|
O=C(Cc1cncs1)NCC(NC(=O)C1CCC1)C1CCCCC1
|
O=C(CC(=O)N1CC2(C1)CN(C(=O)C1(c3ccccc3)CCCC1)C2)NC1CC1
|
CP000122217506
| -23.99
|
O=C(CC(=O)N1CC2(C1)CN(C(=O)C1(c3ccccc3)CCCC1)C2)NC1CC1
|
Cc1conc1C(=O)N1CCN(C(=O)c2csnn2)C(C)C1
|
CP003193777483
| -42.24
|
O=C(c1csnn1)N1CCN(C(=O)c2ccon2)CC1
|
CC(C)c1cc(C(=O)N2CCN(C(=O)c3csnn3)C(CCO)C2)no1
|
CP002499599331
| -40.78
|
O=C(c1csnn1)N1CCN(C(=O)c2ccon2)CC1
|
O=C(c1cc(Cl)on1)N1CCN(C(=O)c2csnn2)C(CCO)C1
|
CP003340425737
| -39.87
|
O=C(c1csnn1)N1CCN(C(=O)c2ccon2)CC1
|
CC(CNC(=O)c1ccsc1)NC(=O)C1CCCn2ccnc21
|
CP003366294707
| -33.28
|
O=C(NCCNC(=O)C1CCCn2ccnc21)c1ccsc1
|
CCCN(CCNC(=O)C1CCCn2ccnc21)C(=O)c1ccsc1OC
|
CP002079665269
| -31.09
|
O=C(NCCNC(=O)C1CCCn2ccnc21)c1ccsc1
|
Cc1sccc1C(=O)NC(CNC(=O)C1CCCn2ccnc21)C(C)C
|
CP002827739632
| -27.64
|
O=C(NCCNC(=O)C1CCCn2ccnc21)c1ccsc1
|
CN1CCC(n2cc(CNC(=O)c3ccc(N(C)C)cn3)nn2)C1=O
|
CP000394077712
| -44.45
|
O=C(NCc1cn(C2CCNC2=O)nn1)c1ccccn1
|
CC(C)(C)C1CC(n2cc(CNC(=O)c3ncccc3F)nn2)C(=O)N1
|
CP001269914960
| 10,000
|
O=C(NCc1cn(C2CCNC2=O)nn1)c1ccccn1
|
CCOC(=O)C1(NC(=O)Nc2ccc(F)c(C(=O)c3ccccc3)c2)CC1(C)C
|
CP000059500971
| -42.87
|
O=C(Nc1cccc(C(=O)c2ccccc2)c1)NC1CC1
|
COC[C@H]1C[C@@H]1NC(=O)Nc1ccc(F)c(C(=O)c2ccccc2)c1
|
CP001160892231
| -41.3
|
O=C(Nc1cccc(C(=O)c2ccccc2)c1)NC1CC1
|
Cn1ccc(=O)c(C(=O)N2CC3(CN(C(=O)c4ccc5[nH]cnc5c4F)C3)C2)c1
|
CP000122829543
| -40.31
|
O=C(c1ccc2[nH]cnc2c1)N1CC2(C1)CN(C(=O)c1c[nH]ccc1=O)C2
|
O=C(NCC1CN(C(=O)CN2CCOC2=O)CCO1)c1ncnc2nc[nH]c12
|
CP001034840689
| -37.47
|
O=C(NCC1CN(C(=O)CN2CCOC2=O)CCO1)c1ncnc2nc[nH]c12
|
CN1CC2CN(C(=O)CCc3nncn3C)CCN2C1=O
|
CP002295415663
| -40.83
|
O=C(CCc1nnc[nH]1)N1CCN2C(=O)NCC2C1
|
CCn1ncc2c(NCC3CC(NC(=O)CCc4cnn(C)c4)C3)ncnc21
|
CP000414052892
| -33.34
|
O=C(CCc1cn[nH]c1)NC1CC(CNc2ncnc3[nH]ncc23)C1
|
O=C(NCC1CCCN1C(=O)CNc1nccs1)C1=Cc2ccccc2C1
|
CP002076558708
| -33.91
|
O=C(NCC1CCCN1C(=O)CNc1nccs1)C1=Cc2ccccc2C1
|
CCC1CCC(C(=O)NCCCN(CC)Cc2c(C)noc2C)O1
|
CP002936558250
| -29.09
|
O=C(NCCCNCc1cnoc1)C1CCCO1
|
CC1(C(=O)NCC2(NC(=O)c3cc(C4(C)CC4)n[nH]3)CCC2)CC(F)(F)C1
|
CP002010694709
| -27.01
|
O=C(NC1(CNC(=O)C2CCC2)CCC1)c1cc(C2CC2)n[nH]1
|
CC1(C(=O)NCC2CCN(CC(=O)N3CCCC3)C2)CCC1
|
CP003476359641
| -31.54
|
O=C(NCC1CCN(CC(=O)N2CCCC2)C1)C1CCC1
|
CN(C)c1ccc(C(=O)NC2CCCN(C3CCc4ccc(F)cc43)C2)cn1
|
CP000497485711
| -35.23
|
O=C(NC1CCCN(C2CCc3ccccc32)C1)c1cccnc1
|
Cc1cc(C(=O)NC[C@@H]2CCCN2C(=O)Cc2sc(O)nc2O)no1
|
CP003017439376
| -49.47
|
O=C(NC[C@@H]1CCCN1C(=O)Cc1cncs1)c1ccon1
|
Cn1cc(C(=O)NC2(CNC(=O)C(C)(O)C3CCC3)CC2)n(C)c1=O
|
CP003287898021
| -36.94
|
O=C(CC1CCC1)NCC1(NC(=O)c2c[nH]c(=O)[nH]2)CC1
|
COC(C(=O)NCC1(NC(=O)c2c[nH]c(=O)n2C)CC1)C1CCC1
|
CP003398510755
| -28.28
|
O=C(CC1CCC1)NCC1(NC(=O)c2c[nH]c(=O)[nH]2)CC1
|
NC(=O)c1ccc(C(=O)N[C@H]2C[C@@H](CNC(=O)C3CCC(C4CC4)CC3)C2)o1
|
CP000647759391
| -29.71
|
O=C(N[C@H]1C[C@@H](CNC(=O)C2CCC(C3CC3)CC2)C1)c1ccco1
|
COC(=O)c1ccnc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3c3ccccc3)C2)c1
|
CP000369808110
| -41.08
|
O=C(NCC1CN(C(=O)c2ccccn2)C1)[C@@H]1C[C@H]1c1ccccc1
|
CN(C)c1ccc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3c3ccccc3)C2)nc1
|
CP001104757034
| -39.49
|
O=C(NCC1CN(C(=O)c2ccccn2)C1)[C@@H]1C[C@H]1c1ccccc1
|
CN(CC1CN(C(=O)c2cc(N)ccn2)C1)C(=O)[C@@H]1C[C@H]1c1ccccc1
|
CP001781004722
| -33.85
|
O=C(NCC1CN(C(=O)c2ccccn2)C1)[C@@H]1C[C@H]1c1ccccc1
|
CC(C(=O)N1CCC[C@H](NC(=O)C2(F)CCOC2)C1)c1ccsc1
|
CP003423341007
| -38.21
|
O=C(N[C@H]1CCCN(C(=O)Cc2ccsc2)C1)C1CCOC1
|
CN(CCCNC(=O)c1cc(C2CC2)n(C)n1)C(=O)Cc1nnc(N)s1
|
CP002736848598
| -37
|
O=C(Cc1nncs1)NCCCNC(=O)c1cc(C2CC2)[nH]n1
|
CC(C)CC(CNC(=O)c1cc2c(cn1)OCCC2)NC(=O)C1=CCCCCC1
|
CP000036912169
| -29.5
|
O=C(NCCNC(=O)c1cc2c(cn1)OCCC2)C1=CCCCCC1
|
Cc1ccc(C(=O)N2CCCC2CNC(=O)C=Cc2ccn(C)c2)cn1
|
CP002715511118
| -47.57
|
O=C(C=Cc1cc[nH]c1)NCC1CCCN1C(=O)c1cccnc1
|
CC(C)Oc1ccc(C(=O)N2CCCC2CNC(=O)C=Cc2ccn(C)c2)cn1
|
CP000253486990
| -29.81
|
O=C(C=Cc1cc[nH]c1)NCC1CCCN1C(=O)c1cccnc1
|
CCC(=O)N1CC(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)C1
|
CP001051604322
| -36.42
|
O=C(CCC(=O)N1CCC(c2ccccc2)=N1)NC1CNC1
|
O=C(COCc1nc(C2CC2)no1)N[C@H]1[C@@H]2CN(c3ncnc4[nH]ccc34)C[C@@H]21
|
CP000298806098
| -30.29
|
O=C(COCc1nc(C2CC2)no1)N[C@H]1[C@@H]2CN(c3ncnc4[nH]ccc34)C[C@@H]21
|
Cc1ccc2nc(N3CC4CC3CN(C(=O)CCc3ccccc3)C4)sc2n1
|
CP000435777879
| -33.23
|
O=C(CCc1ccccc1)N1CC2CC(C1)N(c1nc3cccnc3s1)C2
|
CCC1(C)CC1C(=O)N(C)C1CN(C(=O)c2ccc(Cn3ccnn3)o2)C1
|
CP002167189242
| -38.28
|
O=C(NC1CN(C(=O)c2ccc(Cn3ccnn3)o2)C1)C1CC1
|
O=C(NCC(F)=C1CN(C(=O)c2n[nH]c3c2CCC3)C1)c1sccc1Cl
|
CP002654580796
| -35.19
|
O=C(NCC=C1CN(C(=O)c2n[nH]c3c2CCC3)C1)c1cccs1
|
Cc1ncc2ccc(C(=O)NCCCCC(C)NC(=O)C=CC3CCOC3)cn12
|
CP000031701935
| -31.89
|
O=C(C=CC1CCOC1)NCCCCCNC(=O)c1ccc2cncn2c1
|
Cn1cc(CCC(=O)N2CCC[C@@]2(C)CNC(=O)c2cccn3nccc23)nn1
|
CP000056122675
| -35.86
|
O=C(NCC1CCCN1C(=O)CCc1c[nH]nn1)c1cccn2nccc12
|
Cn1cc(CCC(=O)NCC2CCN2C(=O)c2nnc(N)s2)cn1
|
CP003397776971
| -35.8
|
O=C(CCc1cn[nH]c1)NCC1CCN1C(=O)c1nncs1
|
COc1cnc(C(=O)N2CC(N(C)C(=O)Cc3coc4ccccc34)C2)nc1
|
CP000837958339
| -34.23
|
O=C(Cc1coc2ccccc12)NC1CN(C(=O)c2ncccn2)C1
|
CC(C(=O)N(C)C1CCCCC1)N1CCN(C(=O)C2CS(=O)(=O)C2)[C@@H](C)C1
|
CP001586121823
| -31.3
|
O=C(CN1CCN(C(=O)C2CS(=O)(=O)C2)CC1)NC1CCCCC1
|
CCCCC(CNC(=O)C1=CC2(CCOC2)C1)NC(=O)C1Cc2ccncc2C1
|
CP000256655705
| -34.25
|
O=C(NCCNC(=O)C1Cc2ccncc2C1)C1=CC2(CCOC2)C1
|
CC(=CC(=O)NC1(CNc2ncncc2Cl)COC1)c1ccco1
|
CP002927912497
| -33.73
|
O=C(C=Cc1ccco1)NC1(CNc2ccncn2)COC1
|
CCc1ccc(C=CC(=O)NC2(CNc3nc(C)ncc3F)COC2)o1
|
CP002218683623
| -31.36
|
O=C(C=Cc1ccco1)NC1(CNc2ccncn2)COC1
|
Cc1nc(NCC2(NC(=O)C=Cc3ccco3)COC2)cc(SC(C)C)n1
|
CP001453144745
| -30.63
|
O=C(C=Cc1ccco1)NC1(CNc2ccncn2)COC1
|
Cc1cc2cc(CNC(=O)c3cc(C4CC4)[nH]c(=O)c3)ccc2n1C
|
CP001230355267
| -41.13
|
O=C(NCc1ccc2[nH]ccc2c1)c1cc(C2CC2)[nH]c(=O)c1
|
O=C(CC1COC(=O)C1)NC1CCC(CNC(=O)C2CC3(CSC3)C2)C1
|
CP002535723242
| -33.04
|
O=C(CC1COC(=O)C1)NC1CCC(CNC(=O)C2CC3(CSC3)C2)C1
|
CN(CC(=O)N(CCNC(=O)c1scnc1Cl)C1CC1)C(=O)C1CC1
|
CP003212190768
| -24.32
|
O=C(NCCN(C(=O)CNC(=O)C1CC1)C1CC1)c1cncs1
|
Cc1cn(C)nc1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1ccc(C#N)nc1
|
CP001404983919
| 10,000
|
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cccnc1)c1cc[nH]n1
|
CC1CC2(CCN(C(=O)C3=NOCC3)CC2)CN1C(=O)CCn1cccn1
|
CP001610965048
| -37.61
|
O=C(CCn1cccn1)N1CCC2(CCN(C(=O)C3=NOCC3)CC2)C1
|
CC(CCNC(=O)CNC(=O)c1ccccc1)NC(=O)C1CCCC(=O)CC1
|
CP001057182612
| -33.24
|
O=C1CCCC(C(=O)NCCCNC(=O)CNC(=O)c2ccccc2)CC1
|
Cc1ccc(C(=O)N2CC(O)(CCNC(=O)c3ccn(C(C)(C)C)n3)C2)nn1
|
CP000997068505
| -42.29
|
O=C(NCCC1CN(C(=O)c2cccnn2)C1)c1cc[nH]n1
|
C[C@H]1CN(C(=O)c2ccc(C3CC3)cc2)C[C@H]1NC(=O)c1cc(C2CC2)on1
|
CP000825010977
| -36.14
|
O=C(N[C@H]1CCN(C(=O)c2ccc(C3CC3)cc2)C1)c1cc(C2CC2)on1
|
CCN1C(=O)CCC1C(=O)N1CC[C@H](NC(=O)C(c2ccc(C)cc2)C2CC2)C1
|
CP000373001258
| -32.38
|
O=C1CCC(C(=O)N2CC[C@H](NC(=O)C(c3ccccc3)C3CC3)C2)N1
|
Cc1cc(C(=O)NC2CCN(C(=O)CNC(=O)N3CCCC3)C(C)C2)ccn1
|
CP000868528745
| -30.64
|
O=C(NC1CCN(C(=O)CNC(=O)N2CCCC2)CC1)c1ccncc1
|
C[C@H]1CC[C@H](C(=O)N2CCOCC(CNC(=O)c3ccc(C(F)F)o3)C2)CC1
|
CP000750227768
| -38.48
|
O=C(NCC1COCCN(C(=O)C2CCCCC2)C1)c1ccco1
|
Cc1cc(C(=O)NCC2COCCN(C(=O)C3CCC(C)CC3)C2)oc1C
|
CP001863009412
| -31.51
|
O=C(NCC1COCCN(C(=O)C2CCCCC2)C1)c1ccco1
|
CCc1ccc(C(=O)NCC2COCCN(C(=O)C3CCCCC3(C)C)C2)o1
|
CP000750621545
| -28.76
|
O=C(NCC1COCCN(C(=O)C2CCCCC2)C1)c1ccco1
|
CCC1(C(=O)N2CCOCC(CNC(=O)c3cc(C)co3)C2)CCC(O)CC1
|
CP000750476388
| 10,000
|
O=C(NCC1COCCN(C(=O)C2CCCCC2)C1)c1ccco1
|
Cc1noc(CCCN2CCCC(NC(=O)c3ccnc4[nH]c(C)nc34)CC2)n1
|
CP000197893497
| -26.13
|
O=C(NC1CCCN(CCCc2ncno2)CC1)c1ccnc2[nH]cnc12
|
CC(CCNC(=O)c1ccc2c(c1)[nH]c(=O)n2C)NC(=O)C1CCC(=O)NC1
|
CP001057437478
| -34.01
|
O=C1CCC(C(=O)NCCCNC(=O)c2ccc3[nH]c(=O)[nH]c3c2)CN1
|
CNc1ccc(C(=O)N2CCN(C(=O)c3c[nH]nc3-c3ccoc3)CC2)cn1
|
CP001185287418
| -37.44
|
O=C(c1cccnc1)N1CCN(C(=O)c2c[nH]nc2-c2ccoc2)CC1
|
C[C@H]1CN(C(=O)c2cccnc2)CCN1C(=O)c1c[nH]nc1-c1ccoc1
|
CP002437048773
| -34.99
|
O=C(c1cccnc1)N1CCN(C(=O)c2c[nH]nc2-c2ccoc2)CC1
|
COC(=O)N1CCN(c2ccc(NC(=O)C3CC4CNCC43)cn2)CC1
|
CP000881315032
| -39.57
|
O=C(Nc1ccc(N2CCNCC2)nc1)C1CC2CNCC21
|
CCc1c[nH]c(C(=O)NCC2CCCCC2NC(=O)c2cn(CCO)nn2)c1
|
CP001210223393
| -25.84
|
O=C(NC1CCCCC1CNC(=O)c1ccc[nH]1)c1c[nH]nn1
|
CC1CN(C(=O)C(=O)Nc2ccccc2)CC1NC(=O)c1n[nH]c(N)n1
|
CP002699986402
| -45.68
|
O=C(Nc1ccccc1)C(=O)N1CCC(NC(=O)c2nc[nH]n2)C1
|
Cc1nc(CC(=O)NC[C@H]2CCN(C(=O)Cc3nocc3C)C2)c(C)s1
|
CP003005507283
| -33.69
|
O=C(Cc1cscn1)NC[C@H]1CCN(C(=O)Cc2ccon2)C1
|
C[C@@H]1C[C@H](C(=O)NCC2CCN(C(=O)C3CC=CC3)C2(C)C)C[C@H](C)O1
|
CP002989329523
| -34.03
|
O=C(NCC1CCN(C(=O)C2CC=CC2)C1)C1CCOCC1
|
O=C(C1CC=CC1)N1CCC(CNC(=O)C2(C(F)F)CCOCC2)C1
|
CP003320338681
| -33.27
|
O=C(NCC1CCN(C(=O)C2CC=CC2)C1)C1CCOCC1
|
CCC1CC(C(=O)NCC2(C)CCN(C(=O)C3(COC)CC=CC3)C2)CCO1
|
CP000702850070
| -28.28
|
O=C(NCC1CCN(C(=O)C2CC=CC2)C1)C1CCOCC1
|
Cc1coc(C(C)C)c1C(=O)N1CC=CC(NC(=O)C2Cc3cccnc3C2)C1
|
CP000047293973
| -31.5
|
O=C(NC1C=CCN(C(=O)c2ccoc2)C1)C1Cc2cccnc2C1
|
Cn1cc(C=CC(=O)NC[C@H]2CCCN2C(=O)c2ccc(C(N)=O)o2)nn1
|
CP001749531493
| -34.69
|
O=C(C=Cc1c[nH]nn1)NC[C@H]1CCCN1C(=O)c1ccco1
|
C=C(C)CCC(=O)NC1CC2CCCC(C1)N2C(=O)[C@@H]1CNC(=O)N1
|
CP003288987162
| -28.85
|
O=C1NC[C@@H](C(=O)N2C3CCCC2CCC3)N1
|
CNC(=O)CCC(=O)NC1CC2CCCC(C1)N2C(=O)[C@@H]1CNC(=O)N1
|
CP002710805983
| -28.42
|
O=C1NC[C@@H](C(=O)N2C3CCCC2CCC3)N1
|
CC(C)COC(C)C(=O)NC1CC2CCCC(C1)N2C(=O)[C@@H]1CNC(=O)N1
|
CP002205407617
| -27.58
|
O=C1NC[C@@H](C(=O)N2C3CCCC2CCC3)N1
|
CCC1CN(C(=O)CC(C)C2CCCO2)CCC1NC(=O)C1CC1
|
CP003397572475
| -35.72
|
O=C(NC1CCN(C(=O)CCC2CCCO2)CC1)C1CC1
|
CC1(C)C[C@@H]1C(=O)NC1CCN(C(=O)CCC2CCCO2)CC1F
|
CP003393718386
| -33.95
|
O=C(NC1CCN(C(=O)CCC2CCCO2)CC1)C1CC1
|
CCC1(C)CC1C(=O)NC1CCN(C(=O)CC(C)C2CCCO2)CC1C
|
CP002822662503
| -32.15
|
O=C(NC1CCN(C(=O)CCC2CCCO2)CC1)C1CC1
|
CC1CCC(CCC(=O)N2CCC(NC(=O)C3(C)CC3(F)F)CC2C)O1
|
CP002714475500
| -30.72
|
O=C(NC1CCN(C(=O)CCC2CCCO2)CC1)C1CC1
|
COCCC1(C(=O)NC2CCN(C(=O)CCC3CCCO3)C(C)C2)CC1
|
CP002714254848
| -27.34
|
O=C(NC1CCN(C(=O)CCC2CCCO2)CC1)C1CC1
|
CCC1CN(C(=O)CCC2CCC(C)O2)CCC1NC(=O)C1(OC)CC1
|
CP002705856265
| -24.23
|
O=C(NC1CCN(C(=O)CCC2CCCO2)CC1)C1CC1
|
COCC1(C(=O)NC(C)CC2CN(C(=O)c3cccc(-n4ccnc4)c3)C2)CC1
|
CP000124844029
| -34.49
|
O=C(NCCC1CN(C(=O)c2cccc(-n3ccnc3)c2)C1)C1CC1
|
Cc1ccc2c(C(=O)NC3CN(C(=O)c4cnn5cc(C)cnc45)C3)c[nH]c2c1
|
CP000378778268
| -34.23
|
O=C(NC1CN(C(=O)c2cnn3cccnc23)C1)c1c[nH]c2ccccc12
|
Cc1ccc2nc(C(=O)NC(C)C3(O)CN(C(=O)c4ccco4)C3)ccc2c1
|
CP000848352955
| -41.64
|
O=C(NCC1CN(C(=O)c2ccco2)C1)c1ccc2ccccc2n1
|
Cc1oc(C(=O)N2CC(O)(CNC(=O)c3ccc4ccccc4n3)C2)cc1CO
|
CP000091164714
| -34.34
|
O=C(NCC1CN(C(=O)c2ccco2)C1)c1ccc2ccccc2n1
|
Cc1nc2ccccc2cc1C(=O)N1C[C@@H]2[C@@H](CNc3nnc(C(F)F)o3)[C@@H]2C1
|
CP000288065595
| -30.48
|
O=C(c1cnc2ccccc2c1)N1C[C@@H]2[C@@H](CNc3nnco3)[C@@H]2C1
|
CCc1ccc(C(=O)NC2CCC(CNC(=O)C(O)c3cnn(C)c3)C2)s1
|
CP001626524527
| -33.16
|
O=C(Cc1cn[nH]c1)NCC1CCC(NC(=O)c2cccs2)C1
|
CCc1nnc(C(=O)N(C)Cc2ccccc2CNC(=O)c2csc(C)c2)[nH]1
|
CP000912586208
| -39.03
|
O=C(NCc1ccccc1CNC(=O)c1nnc[nH]1)c1ccsc1
|
CC(NC(=O)CCc1cnn(C)c1)C1CCN(C(=O)c2[nH]ncc2Cl)C1
|
CP002681738522
| -38.36
|
O=C(CCc1cn[nH]c1)NCC1CCN(C(=O)c2ccn[nH]2)C1
|
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