clean_smiles
stringlengths 18
103
| id
stringlengths 14
14
| value
float64 -72.94
187
⌀ | scaffold
stringlengths 0
100
|
|---|---|---|---|
COc1ccccc1C1(CNC(=O)N2CC(C[S+](C)[O-])C2)CCOCC1
|
CP001503589209
| -23.97
|
O=C(NCC1(c2ccccc2)CCOCC1)N1CCC1
|
CCC1CCN1C(=O)NCC1(c2ccccc2Cl)CCOCC1
|
CP001560101172
| -22.15
|
O=C(NCC1(c2ccccc2)CCOCC1)N1CCC1
|
CC1(CF)CN(C(=O)NCC2(c3cccc(F)c3)CCOCC2)C1
|
CP002363792569
| -21.44
|
O=C(NCC1(c2ccccc2)CCOCC1)N1CCC1
|
O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)N1CC(C(F)(F)F)C1
|
CP001572454828
| -21.35
|
O=C(NCC1(c2ccccc2)CCOCC1)N1CCC1
|
CNC(=O)OC1CN(C(=O)NCC2(c3ccccc3)CCOCC2)C1
|
CP001565923199
| -20.71
|
O=C(NCC1(c2ccccc2)CCOCC1)N1CCC1
|
Cc1cc(C)c(C(=O)N2CCC[C@@H]2CNC(=O)C2(Sc3ccccc3)CC2)o1
|
CP000601805791
| -28.75
|
O=C(c1ccco1)N1CCC[C@@H]1CNC(=O)C1(Sc2ccccc2)CC1
|
Cn1cc(C=CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C23CC2C3)cn1
|
CP003337332203
| -22.48
|
O=C(C=Cc1cn[nH]c1)N1CCC[C@H]1CNC(=O)C12CC1C2
|
N#Cc1ccc(C(=O)NCc2ccc(CNC(=O)C34CCC(CC3)CC4)cc2)[nH]1
|
CP000227224777
| -36.84
|
O=C(NCc1ccc(CNC(=O)C23CCC(CC2)CC3)cc1)c1ccc[nH]1
|
C[C@@H](C(=O)N1CCCC(CCNC(=O)CC2COCCO2)C1)n1cnnn1
|
CP002270850725
| -20.92
|
O=C(CC1COCCO1)NCCC1CCCN(C(=O)Cn2cnnn2)C1
|
O=C(C=CC1CC1)NCCCOCCNC(=O)C1=CCC1
|
CP001304261479
| -21.53
|
O=C(C=CC1CC1)NCCCOCCNC(=O)C1=CCC1
|
CCC(CNC(=O)C=CSc1ccccc1)Nc1ncnc2c1cnn2CC
|
CP000510923576
| -30.79
|
O=C(C=CSc1ccccc1)NCCNc1ncnc2[nH]ncc12
|
Cn1cncc1C=CC(=O)N[C@H]1CCCCN(C(=O)CC(C)(C)C)C1
|
CP003080187386
| -42.77
|
O=C(C=Cc1cnc[nH]1)N[C@H]1CCCCNC1
|
COC(=O)NCC(=O)N1CCCC[C@H](NC(=O)C=Cc2cncn2C)C1
|
CP002758682987
| -41.17
|
O=C(C=Cc1cnc[nH]1)N[C@H]1CCCCNC1
|
Cc1cc(NC(=O)C(=O)NNC(=O)CC2CCCC2)ccc1S(C)(=O)=O
|
CP001510069088
| -35.13
|
O=C(CC1CCCC1)NNC(=O)C(=O)Nc1ccccc1
|
COCCOc1ccc(NC(=O)C(=O)NNC(=O)CC2CCCC2)c(C)c1
|
CP001286274464
| -34.74
|
O=C(CC1CCCC1)NNC(=O)C(=O)Nc1ccccc1
|
O=C(NCCCN(C(=O)C=Cc1cocn1)C1CC1)c1cn[nH]c1
|
CP003445737461
| -26.13
|
O=C(NCCCN(C(=O)C=Cc1cocn1)C1CC1)c1cn[nH]c1
|
O=C(C1CCCCS1(=O)=O)N1CC(C2CCS(=O)(=O)CC2)C1
|
CP001678672783
| -11.57
|
O=C(C1CCCCS1(=O)=O)N1CC(C2CCS(=O)(=O)CC2)C1
|
O=C(Cc1cccc2ccccc12)NCC1CCCN(C(=O)C2COC(=O)N2)C1
|
CP000342513465
| -26.33
|
O=C(Cc1cccc2ccccc12)NCC1CCCN(C(=O)C2COC(=O)N2)C1
|
Cn1ncnc1C(=O)NCC12CC(CO1)N(C(=O)c1cnc(C3CC3)s1)C2
|
CP002133242971
| -23.27
|
O=C(NCC12CC(CO1)N(C(=O)c1cnc(C3CC3)s1)C2)c1ncn[nH]1
|
CCn1ncnc1C(=O)N1C[C@H]2CCN(C(=O)Cc3cnc(C)o3)CC[C@H]2C1
|
CP000802867114
| null |
O=C(Cc1cnco1)N1CC[C@@H]2CN(C(=O)c3ncn[nH]3)C[C@@H]2CC1
|
CC1=C(C(=O)NC(C)C2(O)CN(C(=O)CC(C)n3ccnc3)C2)CCCC1
|
CP001768700609
| -43.24
|
O=C(NCC1CN(C(=O)CCn2ccnc2)C1)C1=CCCCC1
|
CC(=Cn1ccnn1)C(=O)N1CCN(C(=O)Cn2cnc3ccccc32)C[C@H]1C
|
CP000376130725
| -25.61
|
O=C(C=Cn1ccnn1)N1CCN(C(=O)Cn2cnc3ccccc32)CC1
|
O=C(N[C@H]1CCCN(C(=O)Cn2ncc3ncccc32)C1)C1COC2COCC21
|
CP000367588456
| -18.88
|
O=C(N[C@H]1CCCN(C(=O)Cn2ncc3ncccc32)C1)C1COC2COCC21
|
Cc1csc(CC(=O)N2CC(OCCNC(=O)CN3CC4C=CC3C4)C2)c1
|
CP001713627246
| -49.73
|
O=C(CN1CC2C=CC1C2)NCCOC1CN(C(=O)Cc2cccs2)C1
|
CC(C)(C)C1(CNC(=O)c2cccc(=O)[nH]2)CCN(C(=O)C2C=CC=CC=C2)C1
|
CP000011263230
| null |
O=C(NCC1CCN(C(=O)C2C=CC=CC=C2)C1)c1cccc(=O)[nH]1
|
O=C1NCc2cc(NC(=O)C3(Cc4ccccc4Cl)CC3)ccc21
|
CP001351516836
| -24.42
|
O=C1NCc2cc(NC(=O)C3(Cc4ccccc4)CC3)ccc21
|
CCCc1nc(C(=O)NCCN2CCC(NC(=O)C3COC(=O)N3)CC2)co1
|
CP000909935968
| -37.94
|
O=C1NC(C(=O)NC2CCN(CCNC(=O)c3cocn3)CC2)CO1
|
O=C(C=Cc1ccc(O)cc1)N1CC2(C1)CN(C(=O)C1CC13CC3)C2
|
CP003116017754
| -25.67
|
O=C(C=Cc1ccccc1)N1CC2(C1)CN(C(=O)C1CC13CC3)C2
|
Cc1ncc(C=CC(=O)N(C)C[C@@H]2CCCN2C(=O)c2nccn2C)c(=O)[nH]1
|
CP000598796408
| -8.32
|
O=C(C=Cc1cnc[nH]c1=O)NC[C@@H]1CCCN1C(=O)c1ncc[nH]1
|
CC1(C(=O)NC2CC(NC(=O)CC3CC(=O)NC3=O)C23CCC3)CC(C#N)C1
|
CP000644833702
| -21.21
|
O=C1CC(CC(=O)NC2CC(NC(=O)C3CCC3)C23CCC3)C(=O)N1
|
C[C@@]1(CNC(=O)C2CCCOC2)CCCN1C(=O)CNc1ccc(O)cc1
|
CP001688712369
| -22.73
|
O=C(NCC1CCCN1C(=O)CNc1ccccc1)C1CCCOC1
|
COc1cccc(NCC(=O)N2CCCC2(C)CNC(=O)C2CCCOC2)c1
|
CP000672827810
| -20.17
|
O=C(NCC1CCCN1C(=O)CNc1ccccc1)C1CCCOC1
|
Cc1cc(CCC(=O)N2CCCC2CN(C)C(=O)C#CC2CCCCC2)[nH]n1
|
CP000734879903
| -27.77
|
O=C(C#CC1CCCCC1)NCC1CCCN1C(=O)CCc1ccn[nH]1
|
COc1cnnc(C(=O)N2CC3CCC2CN3C(=O)c2cn[nH]c2C(C)C)c1
|
CP001072261947
| -23.39
|
O=C(c1cn[nH]c1)N1CC2CCC1CN2C(=O)c1cccnn1
|
Cc1cc(C(=O)NC2(C)CCN(C(=O)Cc3ccccc3C)C2)c2nccn2c1
|
CP000087995583
| -31.68
|
O=C(NC1CCN(C(=O)Cc2ccccc2)C1)c1cccn2ccnc12
|
Cc1ccc(CC(=O)N2CC(NC(=O)c3cccn4ccnc34)C(C)(C)C2)cc1
|
CP000013689365
| -28.46
|
O=C(NC1CCN(C(=O)Cc2ccccc2)C1)c1cccn2ccnc12
|
CN(C(=O)c1cccn2ccnc12)C1CCN(C(=O)Cc2cccc(O)c2)C1
|
CP000964348958
| -27.43
|
O=C(NC1CCN(C(=O)Cc2ccccc2)C1)c1cccn2ccnc12
|
CN(C(=O)c1cccn2ccnc12)C1CCN(C(=O)Cc2ccccc2O)C1
|
CP000964349029
| -24.82
|
O=C(NC1CCN(C(=O)Cc2ccccc2)C1)c1cccn2ccnc12
|
Cc1cc(CCC(=O)N(C)CC(C)NC(=O)c2ccc3c(c2)NCC3)nn1C
|
CP000778271970
| -28.98
|
O=C(CCc1cc[nH]n1)NCCNC(=O)c1ccc2c(c1)NCC2
|
CC(=O)c1cccnc1NC[C@H]1C[C@@H](NC(=O)c2cc3cc(F)ccc3o2)C1
|
CP000455127756
| -34.15
|
O=C(N[C@H]1C[C@@H](CNc2ccccn2)C1)c1cc2ccccc2o1
|
CS(=O)(=O)c1ccc(NC[C@H]2C[C@@H](NC(=O)c3cc4ccccc4o3)C2)nc1
|
CP000455070413
| -33.46
|
O=C(N[C@H]1C[C@@H](CNc2ccccn2)C1)c1cc2ccccc2o1
|
CCC(=O)N1CCC(C(=O)N2CCC[C@@H]2CN(C)C(=O)c2ccc(Cl)o2)C1
|
CP001696679618
| -31.02
|
O=C(NC[C@H]1CCCN1C(=O)C1CCNC1)c1ccco1
|
CN(C(=O)Cn1cc(N)cn1)C1CCCN(C(=O)C2CN3CCC2CC3)C1
|
CP002063078804
| -29.88
|
O=C(Cn1cccn1)NC1CCCN(C(=O)C2CN3CCC2CC3)C1
|
O=C(NC1CCCN(C(=O)C2CN3CCC2CC3)C1)C(F)n1cccn1
|
CP002747623347
| -28.91
|
O=C(Cn1cccn1)NC1CCCN(C(=O)C2CN3CCC2CC3)C1
|
O=C(Cc1nccc2ccccc12)NCCNC(=O)c1cccn2cnnc12
|
CP001188807032
| -26.78
|
O=C(Cc1nccc2ccccc12)NCCNC(=O)c1cccn2cnnc12
|
Cc1ccnc(N)c1C(=O)N1CCC[C@H](NC(=O)C2CCN(C3CC3)CC2)C1
|
CP001143689049
| -45.25
|
O=C(N[C@H]1CCCN(C(=O)c2cccnc2)C1)C1CCN(C2CC2)CC1
|
CO[C@H](C)C(=O)N(CCCNC(=O)C1CC1C1CCCCC1)C1CC1
|
CP003298660199
| -21.12
|
O=C(NCCCNC1CC1)C1CC1C1CCCCC1
|
COc1ccc(C=CC(=O)OCc2cccnc2N2CCCC2)cc1OC
|
CP001179218552
| -26.35
|
O=C(C=Cc1ccccc1)OCc1cccnc1N1CCCC1
|
Cc1cnn(C(C)C(=O)NCCC(=O)NCC2CCCCN2C(=O)C(C)O)c1
|
CP000934245271
| -20.07
|
O=C(CCNC(=O)Cn1cccn1)NCC1CCCCN1
|
C=Cc1ccc(C(=O)NC2COCCN(C(=O)C3CCC4(C3)N=N4)C2)cc1
|
CP002128966073
| -24.18
|
O=C(NC1COCCN(C(=O)C2CCC3(C2)N=N3)C1)c1ccccc1
|
CC1CC(C)C(C(=O)N[C@H]2C[C@@H](NC(=O)C3CN4CCN3CC4C)C2)O1
|
CP002968393684
| -17.46
|
O=C(N[C@H]1C[C@@H](NC(=O)C2CN3CCN2CC3)C1)C1CCCO1
|
Cn1cnnc1C(=O)NC1CCN(C(=O)[C@@H]2C[C@@H]3[C@H](C2)C3(F)F)C1
|
CP003458649457
| -26.88
|
O=C(NC1CCN(C(=O)[C@H]2C[C@@H]3C[C@@H]3C2)C1)c1nnc[nH]1
|
CCc1nnc(C(=O)NC2(CF)CCN(C(=O)[C@@H]3C[C@@H]4[C@H](C3)C4(F)F)C2)[nH]1
|
CP001706086287
| -25.02
|
O=C(NC1CCN(C(=O)[C@H]2C[C@@H]3C[C@@H]3C2)C1)c1nnc[nH]1
|
Cn1cnnc1C(=O)NC1CCN(C(=O)[C@@H]2C[C@@H]3[C@H](C2)C3(C)C)C1(C)C
|
CP002588426521
| null |
O=C(NC1CCN(C(=O)[C@H]2C[C@@H]3C[C@@H]3C2)C1)c1nnc[nH]1
|
CC(C)C(CNC(=O)CCN1CCCC1)NC(=O)c1cc(=O)[nH]c(C2CC2)n1
|
CP000690858548
| -39.61
|
O=C(CCN1CCCC1)NCCNC(=O)c1cc(=O)[nH]c(C2CC2)n1
|
CC1CC(=O)N(C)c2ccc(NC(=O)C(=O)NCC3CC4CCC(C3)O4)cc21
|
CP000412222127
| null |
O=C1CCc2cc(NC(=O)C(=O)NCC3CC4CCC(C3)O4)ccc2N1
|
NC(=O)c1ccc(C(=O)NC2CC2C2CCCN(C(=O)c3cncs3)C2)o1
|
CP001861655811
| -29.81
|
O=C(NC1CC1C1CCCN(C(=O)c2cncs2)C1)c1ccco1
|
Cc1ccn2cc(C(=O)N3CCC[C@H]3CN(C)C(=O)CC3CC3C)nc2c1
|
CP001662355379
| -29.99
|
O=C(CC1CC1)NC[C@@H]1CCCN1C(=O)c1cn2ccccc2n1
|
C[C@H](NC(=O)c1cnn(C2CC2)c1)C1CN(C(=O)C=Cc2cccnc2)C1
|
CP001816831245
| -27.69
|
O=C(NCC1CN(C(=O)C=Cc2cccnc2)C1)c1cnn(C2CC2)c1
|
Cn1ncc2ncnc(NCCCNC(=O)CN3CCC3)c21
|
CP003468394963
| -43.88
|
O=C(CN1CCC1)NCCCNc1ncnc2cn[nH]c12
|
CC(CNC(=O)CN1C(C)CCC1C)CNC(=O)c1cccc2cc(F)ccc12
|
CP000230276389
| -35.22
|
O=C(CN1CCCC1)NCCCNC(=O)c1cccc2ccccc12
|
CCN(CCCNC(=O)C1CCNC1=O)Cc1sncc1Br
|
CP003475683447
| -37.37
|
O=C(NCCCNCc1ccns1)C1CCNC1=O
|
O=C1CC(C(=O)N2CC(NC(=O)c3ccn(CCF)n3)C2)c2cccnc2N1
|
CP001263820392
| -24.53
|
O=C1CC(C(=O)N2CC(NC(=O)c3cc[nH]n3)C2)c2cccnc2N1
|
O=C(CCCn1cncn1)NCc1cc(O)nc(CNC(=O)Cc2ccco2)n1
|
CP000006155018
| -12.37
|
O=C(CCCn1cncn1)NCc1ccnc(CNC(=O)Cc2ccco2)n1
|
CC1=CCC(C)(C(=O)NC2CCN(Cc3cc(C)on3)CC2(C)C)CC1
|
CP002343562165
| -34.45
|
O=C(NC1CCN(Cc2ccon2)CC1)C1CC=CCC1
|
CC1(C(=O)N2CCCC(CNC(=O)c3nnn4ccccc34)C2)CC(C#N)C1
|
CP001126491288
| -28.08
|
O=C(NCC1CCCN(C(=O)C2CCC2)C1)c1nnn2ccccc12
|
CCNc1nc(C(=O)N2CC3CC(NC(=O)C4CSC4)C3C2)cs1
|
CP003388947145
| -28.9
|
O=C(NC1CC2CN(C(=O)c3cscn3)CC21)C1CSC1
|
CCc1cc(C(=O)NCCCCC(C)NC(=O)C(C)n2cncn2)on1
|
CP002357470097
| -29.8
|
O=C(Cn1cncn1)NCCCCCNC(=O)c1ccno1
|
Cc1c(O)c(=O)ccn1CC(=O)N1CC2CCC1CN2C(=O)CC1=CCCCC1
|
CP000258486513
| -24.86
|
O=C(CC1=CCCCC1)N1CC2CCC1CN2C(=O)Cn1ccc(=O)cc1
|
CCn1cc(C(=O)N2CC(NC(=O)c3cnc(-c4ccccc4)o3)CC2C)nn1
|
CP000188866050
| -32.01
|
O=C(NC1CCN(C(=O)c2c[nH]nn2)C1)c1cnc(-c2ccccc2)o1
|
CC(C)C(C(=O)N1CC(NC(=O)[C@@H]2CCCN2C)C1)c1cccnc1
|
CP003046320649
| -36.65
|
O=C(NC1CN(C(=O)Cc2cccnc2)C1)[C@@H]1CCCN1
|
Cc1ccnc(C(=O)NC2CCC(NC(=O)C3CCc4nccn4C3)CC2)c1
|
CP001235444295
| -44.72
|
O=C(NC1CCC(NC(=O)C2CCc3nccn3C2)CC1)c1ccccn1
|
CCCn1cccc1C(=O)NC[C@H]1CCCN1C(=O)C1CC12CCC2
|
CP003026694961
| -27.75
|
O=C(NC[C@H]1CCCN1C(=O)C1CC12CCC2)c1ccc[nH]1
|
CC(=O)c1c(C)[nH]c(C(=O)NC[C@H]2CCCN2C(=O)C2CC23CCC3)c1C
|
CP001943592133
| -27.5
|
O=C(NC[C@H]1CCCN1C(=O)C1CC12CCC2)c1ccc[nH]1
|
Cc1cc(C(=O)NC[C@H]2CCCN2C(=O)C2C(F)(F)C23CCC3)[nH]c1C
|
CP002501857458
| -22.25
|
O=C(NC[C@H]1CCCN1C(=O)C1CC12CCC2)c1ccc[nH]1
|
CN(C)Cc1ccc(C(=O)N(C)C[C@H]2CCCN2C(=O)C2CC23CC(O)C3)[nH]1
|
CP000593464601
| -14.38
|
O=C(NC[C@H]1CCCN1C(=O)C1CC12CCC2)c1ccc[nH]1
|
COc1ccc(SCC(=O)N2CC[C@@H](NC(=O)c3csc(N)n3)C2)cc1
|
CP002819698711
| -33.98
|
O=C(N[C@@H]1CCN(C(=O)CSc2ccccc2)C1)c1cscn1
|
Cc1[nH]cnc1C(=O)N1CCC(C2CC(NC(=O)CC3CC3)CCO2)CC1
|
CP001604087022
| -23.97
|
O=C(CC1CC1)NC1CCOC(C2CCN(C(=O)c3c[nH]cn3)CC2)C1
|
CC1=NOC(C(=O)NC2CCN(C(=O)CCCn3cncn3)C2)C1
|
CP003457653504
| -20.32
|
O=C(NC1CCN(C(=O)CCCn2cncn2)C1)C1CC=NO1
|
O=C(NCC1(c2ccc(Br)cc2)CC1)c1cnc2ccccn2c1=O
|
CP001224305903
| -31.47
|
O=C(NCC1(c2ccccc2)CC1)c1cnc2ccccn2c1=O
|
Cc1ccccc1C(C)(C)C(=O)NCC1(NC(=O)CCn2ccccc2=O)CC1
|
CP000177573065
| -22.96
|
O=C(Cc1ccccc1)NCC1(NC(=O)CCn2ccccc2=O)CC1
|
CC1=C(C(=O)N2CC(CNC(=O)Cn3cnnn3)C3(CCOCC3)C2)CCC1
|
CP000644187490
| -22
|
O=C(Cn1cnnn1)NCC1CN(C(=O)C2=CCCC2)CC12CCOCC2
|
CCN1CCCC(C(=O)NCCCC(C)NC(=O)c2n[nH]c3c2COCC3)C1
|
CP001085231730
| -49.61
|
O=C(NCCCCNC(=O)C1CCCNC1)c1n[nH]c2c1COCC2
|
CC1CCC(CC(=O)NCC2(CNc3ncncc3C#N)CC23CCC3)CC1
|
CP000425221561
| -27.28
|
O=C(CC1CCCCC1)NCC1(CNc2ccncn2)CC12CCC2
|
Cc1ncc(C)c(NCC2(CNC(=O)C(O)C3CCCCC3)CC23CCC3)n1
|
CP000425194646
| -26.54
|
O=C(CC1CCCCC1)NCC1(CNc2ccncn2)CC12CCC2
|
Cc1cocc1C(=O)N1CCCC(CCNC(=O)C2CC(=O)CC23CCC3)C1
|
CP000978020830
| -23.83
|
O=C1CC(C(=O)NCCC2CCCN(C(=O)c3ccoc3)C2)C2(CCC2)C1
|
Cc1nc2c(o1)CCCC2Cc1nc(-c2ccc3c(n2)CCCC3)no1
|
CP000887411481
| -29.87
|
c1nc2c(o1)CCCC2Cc1nc(-c2ccc3c(n2)CCCC3)no1
|
COc1cc(C(=O)N2CCC3(CCN(C(=O)CCc4nnc(C)o4)C3)C2)ccn1
|
CP000252197578
| -18.8
|
O=C(CCc1nnco1)N1CCC2(CCN(C(=O)c3ccncc3)C2)C1
|
CCc1c(Cl)ncnc1N1CC(CC(C)NC(=O)C2OCC2(C)C)C1
|
CP002466105093
| -24.96
|
O=C(NCCC1CN(c2ccncn2)C1)C1CCO1
|
Cc1cc(N2CC(O)(CCNC(=O)C3OCC3(C)C)C2)ncn1
|
CP002910757371
| -22.26
|
O=C(NCCC1CN(c2ccncn2)C1)C1CCO1
|
CC1CN(C(=O)Cn2[nH]c(=O)ccc2=O)CC1NC(=O)C1(n2ccnn2)CC1
|
CP000798481599
| -12.01
|
O=C(Cn1[nH]c(=O)ccc1=O)N1CCC(NC(=O)C2(n3ccnn3)CC2)C1
|
O=C(Cc1cnccn1)NCC1(NC(=O)C2CCc3cc(F)ccc32)CC1
|
CP002202643425
| -26.05
|
O=C(Cc1cnccn1)NCC1(NC(=O)C2CCc3ccccc32)CC1
|
O=C(NC12CC(CNc3nnco3)(C1)OC21COC1)C1Cc2ccccc21
|
CP001391292991
| -21.51
|
O=C(NC12CC(CNc3nnco3)(C1)OC21COC1)C1Cc2ccccc21
|
CCCc1ncc(C(=O)N2CC3C(CNC(=O)CCN(C)CC)C3C2)s1
|
CP002676721224
| -40.12
|
O=C(c1cncs1)N1CC2CC2C1
|
CCc1nc(N)sc1C(=O)N1CC2C(CNC(=O)CN(C)C)C2C1
|
CP003417688640
| -31.27
|
O=C(c1cncs1)N1CC2CC2C1
|
C=CC=CCC(=O)NCC1C2CN(C(=O)c3cnc(C#N)s3)CC12
|
CP003417670755
| -29.51
|
O=C(c1cncs1)N1CC2CC2C1
|
C=CCNc1ncc(C(=O)N2CC3C(CNC(=O)CCCCCF)C3C2)s1
|
CP001995385327
| -28.21
|
O=C(c1cncs1)N1CC2CC2C1
|
CCc1nc(N)sc1C(=O)N1CC2C(CNC(=O)CN(C)CCOC)C2C1
|
CP001995350380
| -25.84
|
O=C(c1cncs1)N1CC2CC2C1
|
Cc1nc(C(C)(C)C)sc1C(=O)N1CC2C(CNC(=O)CC(C)(C)O)C2C1
|
CP001993423513
| -24.9
|
O=C(c1cncs1)N1CC2CC2C1
|
CC=CC=CC(=O)NCC1C2CN(C(=O)c3cnc(C(C)C)s3)CC12
|
CP003059654940
| -23.88
|
O=C(c1cncs1)N1CC2CC2C1
|
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