clean_smiles
stringlengths 18
103
| id
stringlengths 14
14
| value
float64 -72.94
187
⌀ | scaffold
stringlengths 0
100
|
|---|---|---|---|
C=CCC1(C(=O)NC[C@@H]2CCCN2C(=O)C(C)c2cccnc2)CCOCC1
|
CP000666787059
| -24.5
|
O=C(NC[C@@H]1CCCN1C(=O)Cc1cccnc1)C1CCOCC1
|
Cc1cncc(CC(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2CCOC(C)C2)c1
|
CP000605589296
| -21.81
|
O=C(NC[C@@H]1CCCN1C(=O)Cc1cccnc1)C1CCOCC1
|
CC(C(=O)N1CCC[C@H]1CNC(=O)C1(CO)CCOCC1)c1cccnc1
|
CP001646594442
| -19.22
|
O=C(NC[C@@H]1CCCN1C(=O)Cc1cccnc1)C1CCOCC1
|
CCC(C)CC(=O)NC1CCN(C(=O)C2CCc3ccccc3N2)C12CCC2
|
CP000604046511
| -25.15
|
O=C(C1CCc2ccccc2N1)N1CCCC12CCC2
|
Cn1cnc(N2C3CCCC2CN(C(=O)C=CCO)C3)cc1=O
|
CP002905998248
| -22.27
|
O=c1cc(N2C3CCCC2CNC3)nc[nH]1
|
CCC(NC(N)=O)C(=O)N1CC2CCCC(C1)N2c1cc(=O)n(C)cn1
|
CP001913181785
| -20.7
|
O=c1cc(N2C3CCCC2CNC3)nc[nH]1
|
Cc1cc(F)ccc1C(=O)N1CCN(CCCC2CCC2)C[C@H]1C
|
CP003135350145
| -33.94
|
O=C(c1ccccc1)N1CCN(CCCC2CCC2)CC1
|
O=C(Cc1ccc2oc(=O)[nH]c2c1)NCC1CCCCC1c1ccccc1
|
CP000530718663
| -25.21
|
O=C(Cc1ccc2oc(=O)[nH]c2c1)NCC1CCCCC1c1ccccc1
|
CC(Cn1ccnc1)C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc3nccnc3n2)C1
|
CP000110613668
| -38.7
|
O=C(CCn1ccnc1)N[C@H]1C[C@@H](CNC(=O)c2ccc3nccnc3n2)C1
|
CN(CCCNC(=O)Cc1ccc2c(c1)COC2)C(=O)C1CCC2(CCC2)CC1
|
CP000155024981
| -27.63
|
O=C(Cc1ccc2c(c1)COC2)NCCCNC(=O)C1CCC2(CCC2)CC1
|
CC1C(=O)N(CCN(C)C)CN1C(=O)CCOc1cccc(Cl)c1
|
CP001342460344
| -30.73
|
O=C1CN(C(=O)CCOc2ccccc2)CN1
|
CC(C)c1ccccc1OCCC(=O)N1CN(CCN(C)C)C(=O)C1C
|
CP001045812335
| -24.78
|
O=C1CN(C(=O)CCOc2ccccc2)CN1
|
CC(=Cc1ccc(F)cc1)C(=O)N1CCCC[C@@H]1CN(C)C(=O)C1CC12CC2
|
CP000634470999
| -30.54
|
O=C(NC[C@H]1CCCCN1C(=O)C=Cc1ccccc1)C1CC12CC2
|
C[C@@H](CCNC(=O)C1(C2CCCCC2)CC1)NC(=O)Cc1nc2ncccn2n1
|
CP000051901276
| -25.22
|
O=C(Cc1nc2ncccn2n1)NCCCNC(=O)C1(C2CCCCC2)CC1
|
C=CCC1(NC(=O)CC2(O)CCCN(C)C2)CCN(C(=O)C2CC=CCO2)C1
|
CP000723807328
| -40.48
|
O=C(CC1CCCNC1)NC1CCN(C(=O)C2CC=CCO2)C1
|
O=C(NCC1CC2(CO1)CN(C(=O)c1ncc[nH]1)C2)c1coc(CC2CC2)n1
|
CP000789565465
| -24.36
|
O=C(NCC1CC2(CO1)CN(C(=O)c1ncc[nH]1)C2)c1coc(CC2CC2)n1
|
CC(CN(C)C(=O)C1=NNC(=O)C1)NC(=O)C1CCC(C2CCCO2)O1
|
CP002842515915
| -23.62
|
O=C1CC(C(=O)NCCNC(=O)C2CCC(C3CCCO3)O2)=NN1
|
CC(C(=O)N1CC(CO)(NC(=O)CC(C)n2cccn2)C1)c1ccncc1
|
CP001828018060
| -26.71
|
O=C(CCn1cccn1)NC1CN(C(=O)Cc2ccncc2)C1
|
Cc1cc(CC(=O)N2CC(CO)(NC(=O)CCn3nc(C)cc3C)C2)ccn1
|
CP000845923567
| -22.3
|
O=C(CCn1cccn1)NC1CN(C(=O)Cc2ccncc2)C1
|
CC(C(=O)N1CC(NC(=O)CC(C(F)F)n2cccn2)C1)c1ccncc1
|
CP002442603225
| -21.09
|
O=C(CCn1cccn1)NC1CN(C(=O)Cc2ccncc2)C1
|
COC(=O)c1ccc(CC(=O)N2CC3CC2CN(C(=O)c2c[nH]c(C)c2)C3)cc1
|
CP000058559314
| -28.41
|
O=C(c1cc[nH]c1)N1CC2CC(C1)N(C(=O)Cc1ccccc1)C2
|
Cc1ncncc1C(=O)NC(CNC(=O)c1c(Cl)oc2ccccc12)C1CC1
|
CP000990558448
| -31.24
|
O=C(NC(CNC(=O)c1coc2ccccc12)C1CC1)c1cncnc1
|
CC(=O)c1ccc(N2CCC(N(C)C(=O)c3ccn(C(C)C)c(=O)c3)C2)nc1
|
CP000510064127
| -30.02
|
O=C(NC1CCN(c2ccccn2)C1)c1cc[nH]c(=O)c1
|
CCOC(=O)c1ccc(N2CCC(C)(NC(=O)c3cc(CC)[nH]c(=O)c3)C2)nc1
|
CP000302513148
| -28.13
|
O=C(NC1CCN(c2ccccn2)C1)c1cc[nH]c(=O)c1
|
CCn1ccc(C(=O)NC2(C)CCN(c3nc(C)c(C#N)cc3Cl)C2)cc1=O
|
CP000469414799
| -26.36
|
O=C(NC1CCN(c2ccccn2)C1)c1cc[nH]c(=O)c1
|
CC(=O)c1ccc(N2CCC(C)(NC(=O)c3ccn(C(C)C)c(=O)c3)C2)nc1
|
CP000469421141
| -25.69
|
O=C(NC1CCN(c2ccccn2)C1)c1cc[nH]c(=O)c1
|
CC(=O)c1ccc(N2CC(NC(=O)c3ccn(C)c(=O)c3)CC2C)nc1
|
CP002229190337
| -24.39
|
O=C(NC1CCN(c2ccccn2)C1)c1cc[nH]c(=O)c1
|
CCCN(C(=O)c1ccn(C)c(=O)c1)C1CCN(c2ncccc2C(C)=O)C1
|
CP000507120813
| -23.33
|
O=C(NC1CCN(c2ccccn2)C1)c1cc[nH]c(=O)c1
|
C=CCC1(NC(=O)c2cc(CC)[nH]c(=O)c2)CCN(c2ccc(C(C)=O)cn2)C1
|
CP000246361863
| -22.73
|
O=C(NC1CCN(c2ccccn2)C1)c1cc[nH]c(=O)c1
|
CC1(C)CN(c2ccc(C#N)cn2)CC1NC(=O)c1ccn(O)c(=O)c1
|
CP001921064801
| -22.24
|
O=C(NC1CCN(c2ccccn2)C1)c1cc[nH]c(=O)c1
|
CCn1ccc(C(=O)NC2CCN(c3ncccc3F)C2)cc1=O
|
CP001321129266
| -20.33
|
O=C(NC1CCN(c2ccccn2)C1)c1cc[nH]c(=O)c1
|
CCN(C(=O)c1cc[nH]c(=O)c1)C1CCN(c2ncccc2C(=O)OC)C1
|
CP001479444931
| -19.65
|
O=C(NC1CCN(c2ccccn2)C1)c1cc[nH]c(=O)c1
|
CN(Cc1ccc2c(c1)COC2)CC(O)CN(C)C(=O)c1cccc2nn[nH]c12
|
CP000079669800
| -36.13
|
O=C(NCCCNCc1ccc2c(c1)COC2)c1cccc2nn[nH]c12
|
COc1ccnc(CC(=O)N2CC(NC(=O)c3cc(-c4ccncc4)no3)C2)n1
|
CP000379561229
| -29.22
|
O=C(NC1CN(C(=O)Cc2ncccn2)C1)c1cc(-c2ccncc2)no1
|
O=C(CC1COCc2ccccc21)N1CCC(NC(=O)C23CC(CO2)C3)C1
|
CP002315253845
| -28.31
|
O=C(CC1COCc2ccccc21)N1CCC(NC(=O)C23CC(CO2)C3)C1
|
N#Cc1ccc(-c2nnc(CSCCN3CCOCC3)o2)cc1
|
CP001427140992
| -42.18
|
c1ccc(-c2nnc(CSCCN3CCOCC3)o2)cc1
|
Cc1ccc(-c2nnc(C(C)SCCN3CCOCC3)o2)cc1C
|
CP000005764378
| -35.59
|
c1ccc(-c2nnc(CSCCN3CCOCC3)o2)cc1
|
Cc1ccc2cc(C(=O)N(C)C3CN(C(=O)CCn4cncn4)C3)ccc2c1
|
CP000836172328
| -25.97
|
O=C(NC1CN(C(=O)CCn2cncn2)C1)c1ccc2ccccc2c1
|
O=C(C1CC(c2ccc(C(F)(F)F)cc2)C1)N1CCCC(N2CCNCC2)C1
|
CP000404965888
| -49.44
|
O=C(C1CC(c2ccccc2)C1)N1CCCC(N2CCNCC2)C1
|
CC(C)n1ncc(C(=O)NC(CNC(=O)Cn2ccnn2)C2CC2)c1N
|
CP002962833821
| -25.21
|
O=C(Cn1ccnn1)NCC(NC(=O)c1cn[nH]c1)C1CC1
|
CN(C(=O)c1cnn(CC(F)(F)F)c1)C(CNC(=O)Cn1ccnn1)C1CC1
|
CP000776609327
| -20.62
|
O=C(Cn1ccnn1)NCC(NC(=O)c1cn[nH]c1)C1CC1
|
O=C(Cn1cc(CO)nn1)NCC(NC(=O)c1cnn(CCF)c1)C1CC1
|
CP002240311275
| -20.19
|
O=C(Cn1ccnn1)NCC(NC(=O)c1cn[nH]c1)C1CC1
|
CC(C)c1nn(C)cc1C(=O)NC(CNC(=O)Cn1ccnn1)C1CC1
|
CP002962833103
| -18.26
|
O=C(Cn1ccnn1)NCC(NC(=O)c1cn[nH]c1)C1CC1
|
CC(C(=O)NCCCCCCNC(=O)c1cncc2nc[nH]c12)C1CC1
|
CP002816775652
| -26.35
|
O=C(CC1CC1)NCCCCCCNC(=O)c1cncc2nc[nH]c12
|
CCC(CNC(=O)Cc1nccc2ccccc12)NC(=O)C1CS(=O)(=O)C1
|
CP002273336565
| -23.07
|
O=C(Cc1nccc2ccccc12)NCCNC(=O)C1CS(=O)(=O)C1
|
N#Cc1ccccc1OCCn1ccc2cc(Cl)ccc2c1=O
|
CP001423109535
| -38.7
|
O=c1c2ccccc2ccn1CCOc1ccccc1
|
COc1ccccc1OCCn1cc(Br)c2cc(F)ccc2c1=O
|
CP001910065634
| -30.42
|
O=c1c2ccccc2ccn1CCOc1ccccc1
|
CN(C(=O)c1ccc(-c2nc[nH]n2)nc1)C1CN(C(=O)C23CCC(C)(C2)OC3)C1
|
CP000183987150
| -29.01
|
O=C(NC1CN(C(=O)C23CCC(C2)OC3)C1)c1ccc(-c2nc[nH]n2)nc1
|
CC1(C)C(NC(=O)CCc2ncc[nH]2)CCN1C(=O)CCCc1nccs1
|
CP001658209642
| -41.77
|
O=C(CCc1ncc[nH]1)NC1CCN(C(=O)CCCc2nccs2)C1
|
O=C(CN1C(=O)c2ccccc2C1=O)N1CC(Cn2cc(C(O)C3CC3)nn2)C1
|
CP000327154858
| -29.37
|
O=C(CN1C(=O)c2ccccc2C1=O)N1CC(Cn2cc(CC3CC3)nn2)C1
|
Cc1cc(C(=O)NC[C@@H](C)NC(=O)C(Cc2ccccc2)C2CC2)c(C)cn1
|
CP000947484649
| -28.15
|
O=C(NCCNC(=O)C(Cc1ccccc1)C1CC1)c1ccncc1
|
CC(CN(C)C(=O)c1ccnc(CO)c1)NC(=O)C(Cc1ccccc1)C1CC1
|
CP000324313811
| -23.47
|
O=C(NCCNC(=O)C(Cc1ccccc1)C1CC1)c1ccncc1
|
CN(CCN(C)C(=O)C(Cc1ccccc1)C1CC1)C(=O)c1ccncc1O
|
CP000693311994
| -20.98
|
O=C(NCCNC(=O)C(Cc1ccccc1)C1CC1)c1ccncc1
|
CC(NC(=O)COc1ccon1)C1CCCN(C(=O)C2=CCCC2)C1
|
CP003311164850
| -24.37
|
O=C(COc1ccon1)NCC1CCCN(C(=O)C2=CCCC2)C1
|
C[C@@]12CN(C(=O)c3ccc(N)cn3)C[C@]1(C)CN(C(=O)c1cc(C(N)=O)no1)C2
|
CP000097880895
| -28.45
|
O=C(c1ccccn1)N1CC2CN(C(=O)c3ccno3)CC2C1
|
Cc1cnoc1C(=O)N1C[C@]2(C)CN(C(=O)c3ccc(N)cn3)C[C@]2(C)C1
|
CP001830858826
| -26.84
|
O=C(c1ccccn1)N1CC2CN(C(=O)c3ccno3)CC2C1
|
Cc1ccnc(C(=O)N2C[C@@]3(C)CN(C(=O)c4oncc4C)C[C@@]3(C)C2)c1
|
CP001830858797
| -24.82
|
O=C(c1ccccn1)N1CC2CN(C(=O)c3ccno3)CC2C1
|
Cc1cnoc1C(=O)N1C[C@]2(C)CN(C(=O)c3cc(C(N)=O)ccn3)C[C@]2(C)C1
|
CP000097781277
| -23.62
|
O=C(c1ccccn1)N1CC2CN(C(=O)c3ccno3)CC2C1
|
Cc1cc(C(=O)N2C[C@@]3(C)CN(C(=O)c4nccc(C)c4N)C[C@@]3(C)C2)on1
|
CP001080081748
| -21.89
|
O=C(c1ccccn1)N1CC2CN(C(=O)c3ccno3)CC2C1
|
C[C@@]12CN(C(=O)c3cc(O)no3)C[C@]1(C)CN(C(=O)c1ncccc1F)C2
|
CP001830853739
| -16.74
|
O=C(c1ccccn1)N1CC2CN(C(=O)c3ccno3)CC2C1
|
Cn1cc(OCC(=O)N2CC(CO)(NC(=O)c3nncn3C)C2)cn1
|
CP003113160569
| -30.25
|
O=C(NC1CN(C(=O)COc2cn[nH]c2)C1)c1nnc[nH]1
|
CC(NC(=O)CC1CCC(=O)N1C)C1(O)CCN(C(=O)CCC2CCC2)CC1
|
CP000747504172
| -26.16
|
O=C(CC1CCC(=O)N1)NCC1CCN(C(=O)CCC2CCC2)CC1
|
CCc1nc(NCCCCNC(=O)CCC2CC(OC)C2)c2ccsc2n1
|
CP001366685340
| -23.41
|
O=C(CCC1CCC1)NCCCCNc1ncnc2sccc12
|
Cc1cc(C)c(C(=O)NCC2CCN(C(=O)c3cn(C)nc3C3CCC3)C2)o1
|
CP001244147782
| -24.6
|
O=C(NCC1CCN(C(=O)c2c[nH]nc2C2CCC2)C1)c1ccco1
|
COC(=O)[C@@H]1C[C@H](n2cc(C3CCCC3)nn2)CN1C(=O)Cc1ncccc1C
|
CP000326735557
| -30.3
|
O=C(Cc1ccccn1)N1CC[C@H](n2cc(C3CCCC3)nn2)C1
|
CC(CNC(=O)c1nn(C)c2c1COCC2)CNC(=O)c1cnn2ncccc12
|
CP000230619094
| -25.66
|
O=C(NCCCNC(=O)c1cnn2ncccc12)c1n[nH]c2c1COCC2
|
C[C@]1(CNC(=O)C2CC[C@@H]3C[C@@H]3CC2)CCCN1C(=O)CC1CCC(=O)NC1
|
CP000764538713
| -22.48
|
O=C1CCC(CC(=O)N2CCCC2CNC(=O)C2CC[C@@H]3C[C@@H]3CC2)CN1
|
CNc1ncc(C(=O)NCC2CC(C)N(C(=O)C3CC34CCOC(C)C4)C2)o1
|
CP001079110691
| -23.04
|
O=C(NCC1CCN(C(=O)C2CC23CCOCC3)C1)c1cnco1
|
CCCc1ncoc1C(=O)NC(C)C1CCN(C(=O)C2CC23CCOCC3)C1
|
CP000903040089
| -22.1
|
O=C(NCC1CCN(C(=O)C2CC23CCOCC3)C1)c1cnco1
|
CC(C)n1cc(CN2CCCC2CNC(=O)CN2CCS(=O)(=O)CC2)nn1
|
CP001378251312
| -18.47
|
O=C(CN1CCS(=O)(=O)CC1)NCC1CCCN1Cc1c[nH]nn1
|
CC1CCN(C(=O)[C@H]2CC2(F)F)CC1NC(=O)C1CCc2n[nH]c(=O)n2C1
|
CP001984115451
| -19.72
|
O=C(NC1CCCN(C(=O)C2CC2)C1)C1CCc2n[nH]c(=O)n2C1
|
CN(CC1CCCN1C(=O)CCc1ccon1)C(=O)Cn1cnc(C(N)=O)n1
|
CP000734121818
| -26.89
|
O=C(Cn1cncn1)NCC1CCCN1C(=O)CCc1ccon1
|
CC1CCC(NC(=O)C(F)n2cccn2)CN1C(=O)c1cccc2cnnn12
|
CP000627761388
| -26.49
|
O=C(Cn1cccn1)NC1CCCN(C(=O)c2cccc3cnnn23)C1
|
CCN(C(=O)[C@@H]1C[C@@H]2C[C@@H]2C1)C1CCN(C(=O)CCNc2oc(C)nc2C#N)C1
|
CP000374110523
| -22.24
|
O=C(NC1CCN(C(=O)CCNc2cnco2)C1)[C@@H]1C[C@@H]2C[C@@H]2C1
|
Cc1ccc2oc(NCC3CN(C(=O)C4CC45CCCC5)CC34COC4)nc2c1
|
CP000292671341
| -23.91
|
O=C(C1CC12CCCC2)N1CC(CNc2nc3ccccc3o2)C2(COC2)C1
|
CC1(C(=O)N2CC(O)(CCNC(=O)c3ncc(F)cc3F)C2)CCNC(=O)C1
|
CP000997486589
| -22.46
|
O=C1CC(C(=O)N2CC(CCNC(=O)c3ccccn3)C2)CCN1
|
CC1CN(C(=O)c2ccc3cccnn23)CC1CNC(=O)C12CCCC(CO1)C2
|
CP000263955703
| -20.96
|
O=C(c1ccc2cccnn12)N1CCC(CNC(=O)C23CCCC(CO2)C3)C1
|
CC(Cc1ccccc1)C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@H]3CCCO3)C[C@@H]21
|
CP003312340380
| -32.98
|
O=C(CCc1ccccc1)N[C@H]1[C@@H]2CN(C(=O)[C@H]3CCCO3)C[C@@H]21
|
CC(C)CC(CNC(=O)CCC1CCCC1)NC(=O)c1ccc2nnnn2c1
|
CP001039612322
| -22.2
|
O=C(CCC1CCCC1)NCCNC(=O)c1ccc2nnnn2c1
|
Cn1ccnc1CC(=O)N1CC2CC(C1)N(C(=O)CC1CC(O)C13CCC3)C2
|
CP000589577866
| -22.6
|
O=C(Cc1ncc[nH]1)N1CC2CC(C1)N(C(=O)CC1CCC13CCC3)C2
|
CC(CNC(=O)c1n[nH]c2nc[nH]c(=O)c12)NC(=O)C1CCCC2(CCC2)C1
|
CP001238768028
| -29.33
|
O=C(NCCNC(=O)C1CCCC2(CCC2)C1)c1n[nH]c2nc[nH]c(=O)c12
|
CC(C)c1nnc(N2CCN(C(=O)c3ccc(N(C)C)c(F)c3)CC(O)C2)o1
|
CP000445428052
| -26.2
|
O=C(c1ccccc1)N1CCCN(c2nnco2)CC1
|
CCc1nnc(N2CCN(C(=O)c3cc(C)c(OC)c(C)c3)CC(C)(F)C2)o1
|
CP000447101897
| -26.05
|
O=C(c1ccccc1)N1CCCN(c2nnco2)CC1
|
CCc1nnc(N2CCN(C(=O)c3cccc(C)c3Cl)CC(C)(F)C2)o1
|
CP002214545400
| -23.39
|
O=C(c1ccccc1)N1CCCN(c2nnco2)CC1
|
O=C(c1cccc(CF)c1)N1CCN(c2nnc(C(F)F)o2)CC(O)C1
|
CP002213265361
| -23.34
|
O=C(c1ccccc1)N1CCCN(c2nnco2)CC1
|
CCc1nnc(N2CCN(C(=O)c3cc(F)ccc3Cl)CC(C)(F)C2)o1
|
CP002214538375
| -23.11
|
O=C(c1ccccc1)N1CCCN(c2nnco2)CC1
|
CC(C)(C)c1cccc(C(=O)N2CCN(c3nnco3)CC(O)C2)c1
|
CP002457327833
| -22.58
|
O=C(c1ccccc1)N1CCCN(c2nnco2)CC1
|
CCc1nnc(N2CCN(C(=O)c3cc(C)ccc3C)CC(O)C2)o1
|
CP002457314296
| -22.42
|
O=C(c1ccccc1)N1CCCN(c2nnco2)CC1
|
COc1ccc(C(=O)N2CCN(c3nnc(C(C)(C)C)o3)CC(O)C2)c(F)c1
|
CP000445407666
| -22.01
|
O=C(c1ccccc1)N1CCCN(c2nnco2)CC1
|
CCc1nnc(N2CCN(C(=O)c3cc(OC)c(C)c(OC)c3)CCC2C)o1
|
CP000424888441
| -21.88
|
O=C(c1ccccc1)N1CCCN(c2nnco2)CC1
|
Cc1ccc(C(=O)N2CCN(c3nnco3)CC(O)C2)c(F)c1
|
CP002910265657
| -21.6
|
O=C(c1ccccc1)N1CCCN(c2nnco2)CC1
|
Cc1ccc(C(=O)N2CCN(c3nnc(C(F)F)o3)CC(O)C2)cc1F
|
CP002213124185
| -21.42
|
O=C(c1ccccc1)N1CCCN(c2nnco2)CC1
|
Cc1nnc(N2CCN(C(=O)c3c(F)cccc3F)CC(O)C2)o1
|
CP002926113908
| -21.09
|
O=C(c1ccccc1)N1CCCN(c2nnco2)CC1
|
COc1ccc(C(=O)N2CCC(C)N(c3nnc(C)o3)CC2)cc1
|
CP002930424960
| -20.25
|
O=C(c1ccccc1)N1CCCN(c2nnco2)CC1
|
CCC(C)(C)c1nnc(N2CCN(C(=O)c3cccc(F)c3)CC(C)(F)C2)o1
|
CP000447072960
| -19.31
|
O=C(c1ccccc1)N1CCCN(c2nnco2)CC1
|
CCc1nnc(N2CC(C)CN(C(=O)c3c(OC)cccc3OC)CC2C)o1
|
CP000428903459
| null |
O=C(c1ccccc1)N1CCCN(c2nnco2)CC1
|
CC1CN(C(=O)c2cc(F)ccc2Cl)CC(C)N(c2nnco2)C1
|
CP002931649694
| null |
O=C(c1ccccc1)N1CCCN(c2nnco2)CC1
|
CCN(CC)C(=O)CN1CC[C@H](NC(=O)c2cccc(C3CC3)c2)C1
|
CP002413584581
| -34.9
|
O=C(N[C@H]1CCNC1)c1cccc(C2CC2)c1
|
CN(C)CC(C)(C)C(=O)N1CC[C@H](NC(=O)c2cccc(C3CC3(F)F)c2)C1
|
CP001149389549
| -29.96
|
O=C(N[C@H]1CCNC1)c1cccc(C2CC2)c1
|
CCC(C)(CC)C(=O)N1CC[C@H](NC(=O)c2cccc(C3CC3)c2)C1
|
CP003155208632
| -28.78
|
O=C(N[C@H]1CCNC1)c1cccc(C2CC2)c1
|