clean_smiles
stringlengths 18
103
| id
stringlengths 14
14
| value
float64 -53.9
401
⌀ | scaffold
stringlengths 0
100
|
|---|---|---|---|
CNc1ccc(C(=O)NCC2CCCN2C(=O)Cn2cccn2)c(Cl)c1
|
CP002715509468
| -21
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
CC(C)c1ccc(C(=O)NC[C@@]2(C)CCCN2C(=O)Cn2cc(C#N)cn2)cc1
|
CP000173670597
| -20.87
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
Cc1ccc(C(=O)NC[C@@]2(C)CCCN2C(=O)Cn2nccc2N)c(C)c1
|
CP001765079100
| -20.78
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
COc1cc(C)ccc1C(=O)NCC1CCCN1C(=O)Cn1nc(C)c(C)c1C
|
CP000345488391
| -20.63
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
COc1cc(C(=O)N(C)CC2CCCN2C(=O)Cn2cccn2)ccc1F
|
CP001721760519
| -20.32
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
CC1(C)CC(CNC(=O)c2ccccc2CO)N(C(=O)Cn2ccc(N)n2)C1
|
CP000607334401
| -20.17
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
CC1(C)CC(CNC(=O)c2ccccc2Cl)N(C(=O)C(F)n2cccn2)C1
|
CP001753641806
| -20.04
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
C[C@]1(CNC(=O)c2ccc(C(F)(F)F)cc2)CCCN1C(=O)Cn1cccn1
|
CP000763740858
| -20.01
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
COc1cc(C(=O)NC[C@]2(C)CCCN2C(=O)Cn2cc(N)cn2)ccc1C
|
CP000584025549
| -19.98
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
C[C@@]1(CNC(=O)c2ccccc2CO)CCCN1C(=O)Cn1ccc(N)n1
|
CP001689810167
| -19.97
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
Cc1cnn(CC(=O)N2CCCC2CNC(=O)c2c(F)ccc(C)c2N)c1
|
CP001788797735
| -19.95
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccc(F)cc1Cl
|
CP003208687069
| -19.92
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
Cc1cc(F)cc(C(=O)NC[C@@]2(C)CCCN2C(=O)Cn2cc(N)cn2)c1
|
CP001765658681
| -19.9
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
Cc1ccc(F)c(C(=O)NC[C@]2(C)CCCN2C(=O)Cn2cc(C#N)cn2)c1
|
CP000584218971
| -19.9
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
N#Cc1cnn(CC(=O)N2CCCC2CNC(=O)c2ccccc2Cl)c1N
|
CP002073896247
| -19.79
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
Cc1cc(C(=O)NCC2CCCN2C(=O)Cn2nccc2C)ccc1F
|
CP002883417242
| -19.67
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
Cc1c(F)cccc1C(=O)NC(C)(C)C1CCCN1C(=O)Cn1cc(C#N)cn1
|
CP000075687438
| -19.38
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
C=CCCCc1ccc(C(=O)N(C)CC2CCCN2C(=O)Cn2cccn2)cc1
|
CP000076703032
| -19.33
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
CC(C(=O)N1CCCC1CN(C)C(=O)c1cc(N)cc(N)c1)n1cccn1
|
CP001976973931
| -19.29
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
Cc1cccc(C(=O)NCC2CCCN2C(=O)Cn2ccc(N)n2)c1C
|
CP002882731743
| -19.18
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
CC(C(=O)N1CCCC1CNC(=O)c1cc(Cl)c(N)cc1F)n1cccn1
|
CP001788793534
| -19.12
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
Cc1ccnn1CC(=O)N1CCC[C@@]1(C)CNC(=O)c1cccc(C#CCO)c1
|
CP000056173475
| -18.9
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
Cc1cnn(C(C)C(=O)N2CCCC2CN(C)C(=O)c2ccc(F)cc2C)c1
|
CP000733644972
| -18.69
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
Cc1cc(N)n(CC(=O)N2CCCC2(C)CNC(=O)c2ccccc2Cl)n1
|
CP001651627994
| -18.66
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
Cc1ccc(C(=O)N(C)CC2CCCN2C(=O)Cn2cc(C)cn2)cc1
|
CP002573697290
| -18.37
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
COc1ccccc1C(=O)NCC1(C)CCCN1C(=O)Cn1ccc(C)n1
|
CP001651629355
| -18.37
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
Cc1ccnn1CC(=O)N1CCCC1(C)CNC(=O)c1cccc(F)c1
|
CP002582771553
| -18.1
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
CNC(=O)c1cccc(C(=O)NCC2CCCN2C(=O)C(C)(C)n2cccn2)c1
|
CP000345359732
| -17.64
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
Cc1ccn(CC(=O)N2CCCC2CNC(=O)c2ccc(N)c(C)c2)n1
|
CP002715680094
| -17.61
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
Nc1ccnn1CC(=O)N1CC(F)(F)CC1CNC(=O)c1ccc(CO)cc1
|
CP000590711253
| -17.59
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
COc1cccc(C(=O)NCC2CCCN2C(=O)Cn2nccc2N)c1OC
|
CP001064799005
| -17.5
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
Cc1ccn(CC(=O)N2CCC[C@]2(C)CNC(=O)c2ccc(CO)c(F)c2)n1
|
CP000764734098
| -16.96
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
Cc1cnn(CC(=O)N2CCCC2CN(C)C(=O)c2cccc(F)c2Cl)c1
|
CP001721772469
| -16.86
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
COC(=O)c1cccc(C(=O)NCC2CCCN2C(=O)C(F)n2cccn2)c1
|
CP000870323759
| -16.79
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
Cc1ccc(C(=O)NCC2C(C)CCN2C(=O)Cn2ccc(C)n2)c(Cl)c1
|
CP001757940129
| -16.41
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
C[C@@]1(CNC(=O)c2cccc(CO)c2)CCCN1C(=O)Cn1cc(N)cn1
|
CP001690065942
| -16.14
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
Cc1cc(O)c(Cl)cc1C(=O)NCC1CCCN1C(=O)Cn1nccc1C
|
CP001789038851
| -15.98
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
CCOc1ccccc1C(=O)NC[C@@]1(C)CCCN1C(=O)Cn1nccc1C
|
CP000763751577
| -15.89
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
Cc1ccn(CC(=O)N2CCCC2CN(C)C(=O)c2ccc(N)cc2C)n1
|
CP001977231892
| -15.46
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
COc1cccc(F)c1C(=O)NC[C@]1(C)CCCN1C(=O)Cn1cc(C#N)cn1
|
CP000056083827
| -14.73
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
COc1cccc(O)c1C(=O)N(C)CC1CCCN1C(=O)Cn1cc(C)cn1
|
CP000889542427
| -13.3
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
COc1ccccc1C(=O)NCC1(C)CCCN1C(=O)Cn1cc(C)cn1
|
CP001651629139
| -13.18
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
Cc1ccn(CC(=O)N2CCCC2CN(C)C(=O)c2cccc(F)c2)n1
|
CP002573499380
| -12.98
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccc(F)c(O)c1
|
CP003291457945
| -12.9
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
CC1(C)CC(CNC(=O)c2c(F)cccc2F)N(C(=O)Cn2ccc(N)n2)C1
|
CP000606693723
| -12.81
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
CC(C)c1ccccc1C(=O)N(C)CC1CCCN1C(=O)C(C)n1cccn1
|
CP000734143416
| -12.63
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
Cc1ccn(CC(=O)N2CCCC2CN(C)C(=O)c2cc(C)c(N)cc2F)n1
|
CP000889821457
| -2.52
|
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
COCc1ccc(C(=O)NC(C)(C)C2CCCN2C(=O)Cn2cc(C)cn2)cc1
|
CP000075530082
| null |
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
CC1CCN(C(=O)C(C)n2cc(Cl)cn2)C1CNC(=O)c1ccc(F)cc1
|
CP001757100154
| null |
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
CSc1ccc(C(=O)NCC2C(C)CCN2C(=O)Cn2cc(C#N)cn2)cc1
|
CP000756336349
| null |
O=C(NCC1CCCN1C(=O)Cn1cccn1)c1ccccc1
|
CCS(=O)(=O)Cc1ccc(NC(=O)Nc2cnn(-c3ccccn3)c2)cc1
|
CP000521139292
| -34.4
|
O=C(Nc1ccccc1)Nc1cnn(-c2ccccn2)c1
|
CCOCc1ccc(NC(=O)Nc2cnn(-c3ncccc3F)c2)cc1
|
CP000884583331
| -33.78
|
O=C(Nc1ccccc1)Nc1cnn(-c2ccccn2)c1
|
COCCOCc1cccc(NC(=O)Nc2cnn(-c3ncccc3F)c2)c1
|
CP000406575701
| -33.52
|
O=C(Nc1ccccc1)Nc1cnn(-c2ccccn2)c1
|
CCC(CC1CCCC1)C(=O)N[C@@H]1CCCN(C(=O)CN2CCN(C)CC2)C1
|
CP001141191966
| -18.33
|
O=C(CCC1CCCC1)N[C@@H]1CCCN(C(=O)CN2CCNCC2)C1
|
C=C1CC1C(=O)N1CC2CCC(NC(=O)c3cccn(O)c3=O)C2C1
|
CP003313375032
| -10.69
|
C=C1CC1C(=O)N1CC2CCC(NC(=O)c3ccc[nH]c3=O)C2C1
|
CCCN(CCNC(=O)c1cnc2c(c1)c(C)nn2C)c1nccnc1C#N
|
CP000505716645
| -26.45
|
O=C(NCCNc1cnccn1)c1cnc2[nH]ncc2c1
|
Nc1cccc(-n2cc(CNC(=O)c3ccnc(OC4CCCCC4)c3)nn2)c1
|
CP000328019344
| -26.65
|
O=C(NCc1cn(-c2ccccc2)nn1)c1ccnc(OC2CCCCC2)c1
|
O=C(CCF)NC1CCCCC12CCCN(C(=O)Cn1cc(CO)nn1)C2
|
CP001860480786
| -8.82
|
O=C(Cn1ccnn1)N1CCCC2(CCCCC2)C1
|
N=C(N)SCC(=O)NC1CCCCC12CCCN(C(=O)Cn1ccnn1)C2
|
CP001860468911
| -7.89
|
O=C(Cn1ccnn1)N1CCCC2(CCCCC2)C1
|
CO[C@H](C)C(=O)NCC1CC2(CCC2)CN1C(=O)C1(C)COC(=O)OC1
|
CP002766681047
| null |
O=C1OCC(C(=O)N2CCC3(CCC3)C2)CO1
|
NC(=O)c1cccc(CN2CCC3(CCN(C(=O)CCc4cscn4)C3)C2)c1
|
CP000546393229
| -30.59
|
O=C(CCc1cscn1)N1CCC2(CCN(Cc3ccccc3)C2)C1
|
CC1(C)C(C(=O)NC2CCCC23CN(c2cc(C4CC4)ncn2)C3)C1(C)C
|
CP001460250345
| null |
O=C(NC1CCCC12CN(c1cc(C3CC3)ncn1)C2)C1CC1
|
NC(=O)N1CC(O)CC1C(=O)NC1(CO)CN(C(=O)Cc2ccc(=O)[nH]c2)C1
|
CP000846732831
| -10.63
|
O=C(NC1CN(C(=O)Cc2ccc(=O)[nH]c2)C1)C1CCCN1
|
Cc1nc(Cl)cc(N2CCC(CO)C(NC(=O)CN3CC4CC4C3)CC2)n1
|
CP001461532129
| -27.73
|
O=C(CN1CC2CC2C1)NC1CCCN(c2ccncn2)CC1
|
O=C(CN1CC2CC2C1)NC1CCCN(c2cc(Cl)ncn2)CC1
|
CP002918898110
| -26.57
|
O=C(CN1CC2CC2C1)NC1CCCN(c2ccncn2)CC1
|
O=C(CN1CC2CC2C1)NC1CCCN(c2ncnc(Cl)c2CO)CC1
|
CP001916969501
| -22.51
|
O=C(CN1CC2CC2C1)NC1CCCN(c2ccncn2)CC1
|
Cc1cncnc1N1CCC(CO)C(NC(=O)CN2CC3CC3C2)CC1
|
CP002224566083
| -22.19
|
O=C(CN1CC2CC2C1)NC1CCCN(c2ccncn2)CC1
|
O=C(Cc1c[nH]c2nccc(Cl)c12)NCC1(CO)CC2(CC(F)(F)C2)C1
|
CP001053355555
| -16.18
|
O=C(Cc1c[nH]c2ncccc12)NCC1CC2(CCC2)C1
|
Cc1nc(O)ccc1C(=O)N(C)C(CNC(=O)C12CCOC(C)(C1)C2)C1CC1
|
CP000776781385
| -19.8
|
O=C(NC(CNC(=O)C12CCOC(C1)C2)C1CC1)c1cccnc1
|
CNc1ncccc1C(=O)NC(CNC(=O)C12CCOC(C)(C1)C2)C1CC1
|
CP002241296175
| null |
O=C(NC(CNC(=O)C12CCOC(C1)C2)C1CC1)c1cccnc1
|
CN(c1ncnc(C(C)(C)C)n1)C1CCN(C(=O)c2ccc3nc[nH]c3n2)CC1
|
CP000276885049
| -31.98
|
O=C(c1ccc2nc[nH]c2n1)N1CCC(Nc2ncncn2)CC1
|
Cc1cccc(NC(=O)CN2CC[C@H](NC(=O)c3cc4ccsc4[nH]3)C2)c1C
|
CP000542930087
| -32.37
|
O=C(CN1CC[C@H](NC(=O)c2cc3ccsc3[nH]2)C1)Nc1ccccc1
|
CN(Cc1cc(C#N)cs1)C(=O)C(=O)NCc1ccnc(N2CCCC2)c1
|
CP001287782077
| -23.1
|
O=C(NCc1ccnc(N2CCCC2)c1)C(=O)NCc1cccs1
|
O=C(COCc1ccccn1)N1CCC(CCNC(=O)C2(n3cncn3)CC2)C1
|
CP000224602552
| -22.42
|
O=C(COCc1ccccn1)N1CCC(CCNC(=O)C2(n3cncn3)CC2)C1
|
CC(C)n1ncc2c(C(=O)N3CCCCC(CN)C3)cc(-c3cccs3)nc21
|
CP000404668196
| null |
O=C(c1cc(-c2cccs2)nc2[nH]ncc12)N1CCCCCC1
|
C=C(F)C1(CC(=O)NCCCC(C)NC(=O)CCc2nccs2)CCC1
|
CP002521870230
| -18.77
|
O=C(CCc1nccs1)NCCCCNC(=O)CC1CCC1
|
Cc1noc2ncnc(N(CCO)C3CCN(C(=O)[C@@H]4CCCN4C)CC3)c12
|
CP000437396106
| -17.49
|
O=C([C@@H]1CCCN1)N1CCC(Nc2ncnc3oncc23)CC1
|
CCC1(C)CC(C(=O)N2CC(C(C)NC(=O)CN3Cc4ccccc4C3=O)C2)C1
|
CP000257262905
| -22.15
|
O=C(CN1Cc2ccccc2C1=O)NCC1CN(C(=O)C2CCC2)C1
|
CC1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1CNC(=O)C(C1CC1)C1CC1
|
CP002350872188
| -16.4
|
O=C1NC[C@@H](C(=O)N2CCCC(CNC(=O)C(C3CC3)C3CC3)C2)N1
|
O=C(N[C@H]1[C@@H]2CN(C(=O)C=Cc3ccccn3)C[C@@H]21)c1ccoc1Cl
|
CP003311599036
| -24.45
|
O=C(N[C@H]1[C@@H]2CN(C(=O)C=Cc3ccccn3)C[C@@H]21)c1ccoc1
|
Cn1cc(CC(=O)N2CCCC2(C)CNC(=O)C(F)CC2CC2)c2ccccc21
|
CP000120849864
| -25.96
|
O=C(CCC1CC1)NCC1CCCN1C(=O)Cc1c[nH]c2ccccc12
|
Cn1cc(CC(=O)N2CCC[C@]2(C)CNC(=O)CCC2(C)CC2)c2ccccc21
|
CP000173833058
| -24.36
|
O=C(CCC1CC1)NCC1CCCN1C(=O)Cc1c[nH]c2ccccc12
|
O=C(CCC1CC1)NCC1CCCN1C(=O)Cc1c[nH]c2cc(F)ccc12
|
CP002073748912
| -16.6
|
O=C(CCC1CC1)NCC1CCCN1C(=O)Cc1c[nH]c2ccccc12
|
Cn1ncc(C2CCC2)c1C(=O)NC1CCN(C(=O)C(F)Cc2ccccc2)C1
|
CP000365004729
| -22.52
|
O=C(NC1CCN(C(=O)CCc2ccccc2)C1)c1[nH]ncc1C1CCC1
|
N#Cc1cc(C(=O)NCCCOCCNC(=O)C2CCc3nccn3C2)co1
|
CP000774153883
| -24.14
|
O=C(NCCCOCCNC(=O)C1CCc2nccn2C1)c1ccoc1
|
Cc1n[nH]cc1CNC(=O)N1CCN(c2nc(Cl)c(C#N)n2C)CC1
|
CP001565888479
| -34.85
|
O=C(NCc1cn[nH]c1)N1CCN(c2ncc[nH]2)CC1
|
CC(C)Cn1cc(CCCNC(=O)c2cccc3cc(F)ccc23)nn1
|
CP001268145424
| -34.19
|
O=C(NCCCc1c[nH]nn1)c1cccc2ccccc12
|
CC1(C)CC=C(C(=O)N2C[C@@H]3CN(C(=O)c4noc5ccccc45)C[C@@H]3C2)CC1
|
CP000266012028
| -22.48
|
O=C(C1=CCCCC1)N1C[C@@H]2CN(C(=O)c3noc4ccccc34)C[C@@H]2C1
|
COCCN(CCNC(=O)CN1Cc2ccccc2C1)C(=O)[C@H]1CCC(=O)N1
|
CP000580699871
| -20.42
|
O=C(CN1Cc2ccccc2C1)NCCNC(=O)[C@H]1CCC(=O)N1
|
Cc1ncsc1C(=O)NCC1CCCCN1C(=O)C1(C(F)F)CCCC1
|
CP002973533483
| -24.07
|
O=C(NCC1CCCCN1C(=O)C1CCCC1)c1cncs1
|
CC(C)c1ncc(C(=O)NCC2C(C)CCCN2C(=O)C2(F)CCCC2)s1
|
CP002088235301
| -23.86
|
O=C(NCC1CCCCN1C(=O)C1CCCC1)c1cncs1
|
Cc1ncc(C(=O)NCC2CCCCN2C(=O)C2(C(F)F)CCCC2)s1
|
CP002973533490
| -17.98
|
O=C(NCC1CCCCN1C(=O)C1CCCC1)c1cncs1
|
Cc1nc(C)c(C(=O)NCC2CCCCN2C(=O)C2(C)CCC(C)C2)s1
|
CP002973624712
| null |
O=C(NCC1CCCCN1C(=O)C1CCCC1)c1cncs1
|
CCC1C(C(=O)N2CCN(CC3CC3)CC2)CCN1C(=O)OC(C)(C)C
|
CP001044415484
| -16.43
|
O=C(C1CCNC1)N1CCN(CC2CC2)CC1
|
CCN1CCN(CC(=O)NCc2cn(Cc3nn(C)cc3C)nn2)CC1
|
CP001272458773
| -21.48
|
O=C(CN1CCNCC1)NCc1cn(Cc2cc[nH]n2)nn1
|
COc1ccnc(C(=O)NCC2(C3CC3)CCN(C(=O)C3CC=CC3)C2)c1
|
CP001825044203
| -25.97
|
O=C(NCC1(C2CC2)CCN(C(=O)C2CC=CC2)C1)c1ccccn1
|
COc1ccc(C=CC(=O)N2CCC3(CCN(C(=O)c4oncc4C)C3)C2)cc1
|
CP000252049736
| -32.37
|
O=C(C=Cc1ccccc1)N1CCC2(CCN(C(=O)c3ccno3)C2)C1
|
O=C(C=Cc1cccc(CO)c1)N1CCC2(CCN(C(=O)c3ccno3)C2)C1
|
CP000867790289
| -27.24
|
O=C(C=Cc1ccccc1)N1CCC2(CCN(C(=O)c3ccno3)C2)C1
|
CCC(C(=O)NCC1(NC(=O)c2cnsn2)CCCC1)C1CCOCC1
|
CP002619075352
| null |
O=C(CC1CCOCC1)NCC1(NC(=O)c2cnsn2)CCCC1
|
CC1(CNc2ncc3c(n2)COC3)CCN(C(=O)C2(C)CC=CC2)C1
|
CP002399161654
| -25.92
|
O=C(C1CC=CC1)N1CCC(CNc2ncc3c(n2)COC3)C1
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.