Datasets:
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clean_smiles
stringlengths 18
103
| id
stringlengths 14
14
| value
float64 -72.94
187
⌀ | scaffold
stringlengths 0
100
|
|---|---|---|---|
CCc1cc(N2CCCCC(NC(=O)CCC3CC(F)(F)C3)C2)nc(CC)n1
|
CP000510535657
| -34.46 |
O=C(CCC1CCC1)NC1CCCCN(c2ccncn2)C1
|
CCc1cc(N2CCCCC(NC(=O)CCC3CC(F)(F)C3)C2)ncn1
|
CP002052943021
| -24.88 |
O=C(CCC1CCC1)NC1CCCCN(c2ccncn2)C1
|
COc1cnc(Cl)nc1N1CCCCC(NC(=O)C(C)CC2CCC2)C1
|
CP002052931936
| -22.25 |
O=C(CCC1CCC1)NC1CCCCN(c2ccncn2)C1
|
CCC1(C)C=C(C(=O)NCC2(NC(=O)c3ccc(F)o3)CCCC2)C1
|
CP003163125551
| -23.79 |
O=C(NCC1(NC(=O)c2ccco2)CCCC1)C1=CCC1
|
Cc1ccc(-c2cc(C(=O)NC3CN(C(=O)C4CCCC(C)CC4)C3)[nH]n2)o1
|
CP001264276392
| -23.99 |
O=C(NC1CN(C(=O)C2CCCCCC2)C1)c1cc(-c2ccco2)n[nH]1
|
CC1=NC(C(=O)N2CC3(CCCC(CNC(=O)c4ccc(C)o4)O3)C2)CS1
|
CP002135483274
| -24.63 |
O=C(NCC1CCCC2(CN(C(=O)C3CSC=N3)C2)O1)c1ccco1
|
CC1=NC(C(=O)N2CC3(CCCC(CNC(=O)c4cc(C)co4)O3)C2)CS1
|
CP002135636659
| -24.36 |
O=C(NCC1CCCC2(CN(C(=O)C3CSC=N3)C2)O1)c1ccco1
|
NC(=O)CCOc1ccccc1NC(=O)NC1CCCCCCCCC1
|
CP000882011450
| null |
O=C(Nc1ccccc1)NC1CCCCCCCCC1
|
CCC(=O)NC1CN(C(=O)C2CC3(CCCO3)C2)C2CCCCC12
|
CP003344685279
| -17.81 |
O=C(C1CC2(CCCO2)C1)N1CCC2CCCCC21
|
CCCOCC(=O)NCC12CCCCC1N(C(=O)C1CC3(CCCO3)C1)CC2
|
CP000758556052
| -13.64 |
O=C(C1CC2(CCCO2)C1)N1CCC2CCCCC21
|
CC(CC1CCN(C(=O)Cn2cnnc2)CC1)NC(=O)C1=CC2(CCOC2)C1
|
CP000821760873
| -24.73 |
O=C(NCCC1CCN(C(=O)Cn2cnnc2)CC1)C1=CC2(CCOC2)C1
|
Cc1nsc(C)c1C(=O)N1CC2CCCC1C2CNC(=O)C1CC2(CC2)C1
|
CP001684110983
| -22.65 |
O=C(NCC1C2CCCC1N(C(=O)c1cnsc1)C2)C1CC2(CC2)C1
|
Cc1ccccc1CC(C)C(=O)NCCCOCCNC(=O)[C@H]1CCCN1C
|
CP000774269150
| -39.4 |
O=C(CCc1ccccc1)NCCCOCCNC(=O)[C@H]1CCCN1
|
CN(CC1COCCN1C(=O)C1CCc2cn[nH]c21)C(=O)Cc1cnco1
|
CP001691610640
| -28.94 |
O=C(Cc1cnco1)NCC1COCCN1C(=O)C1CCc2cn[nH]c21
|
Cc1cc(C(=O)NCc2csc(C(F)(F)F)c2)c2c(C)noc2n1
|
CP001344046329
| -36.82 |
O=C(NCc1ccsc1)c1ccnc2oncc12
|
Cc1ccncc1C(=O)N1CCC(NC(=O)CCc2ccc(N)nc2)CC1C
|
CP000868076373
| -47.83 |
O=C(CCc1cccnc1)NC1CCN(C(=O)c2cccnc2)CC1
|
Nc1ncccc1C(=O)N1CCC(NC(=O)CCc2ccc(F)nc2)CC1
|
CP001961518446
| -32.8 |
O=C(CCc1cccnc1)NC1CCN(C(=O)c2cccnc2)CC1
|
CC(C)c1ccc(C(=O)N2CCC(C)(NC(=O)CCc3cccnc3)CC2)cn1
|
CP000253977571
| -27.26 |
O=C(CCc1cccnc1)NC1CCN(C(=O)c2cccnc2)CC1
|
CC1CN(C(=O)c2ccc(N)nc2)CCC1NC(=O)CCc1cncc(F)c1
|
CP000802132631
| -24.4 |
O=C(CCc1cccnc1)NC1CCN(C(=O)c2cccnc2)CC1
|
Cc1noc(C(=O)NC[C@@H]2CCCCN2C(=O)c2ccc(C)c(F)c2)n1
|
CP002663606808
| -29.84 |
O=C(NC[C@@H]1CCCCN1C(=O)c1ccccc1)c1ncno1
|
CCc1noc(C(=O)N(C)C[C@@H]2CCCCN2C(=O)c2cc(F)cc(F)c2)n1
|
CP000559546547
| -28.53 |
O=C(NC[C@@H]1CCCCN1C(=O)c1ccccc1)c1ncno1
|
O=C(CCCc1nccs1)NCC1(C2(O)CCC2)CC1
|
CP002481584431
| -23.19 |
O=C(CCCc1nccs1)NCC1(C2CCC2)CC1
|
Cc1n[nH]c(=O)c(C(=O)NC2CCN(C(=O)c3ccc4c(c3)CCC4)C2)c1C
|
CP001239988575
| -30.06 |
O=C(NC1CCN(C(=O)c2ccc3c(c2)CCC3)C1)c1ccn[nH]c1=O
|
CC(CNC(=O)c1ccc2c(c1)CC2)CN(C)C(=O)c1conc1C1CCCC1
|
CP000186739785
| -32.9 |
O=C(NCCCNC(=O)c1conc1C1CCCC1)c1ccc2c(c1)CC2
|
CC(CNC(=O)CCC1CCOC1)NC(=O)[C@@H]1CCC(=O)O1
|
CP003486074468
| -18.83 |
O=C(CCC1CCOC1)NCCNC(=O)[C@@H]1CCC(=O)O1
|
CC(C)N(CCN(C)C(=O)[C@@H]1CCC(=O)O1)C(=O)CCC1CCOC1
|
CP003074437225
| -16.93 |
O=C(CCC1CCOC1)NCCNC(=O)[C@@H]1CCC(=O)O1
|
Cc1nccc(-c2ccc(NC(=O)[C@H]3C[C@@H](O)CN3)cc2)n1
|
CP002174201949
| -48.26 |
O=C(Nc1ccc(-c2ccncn2)cc1)[C@H]1CCCN1
|
O=C(CCCCN1CCCCC1)N1CCC2(CCCN2C(=O)[C@@H]2CC2(F)F)C1
|
CP000679037190
| -41.81 |
O=C(CCCCN1CCCCC1)N1CCC2(CCCN2C(=O)C2CC2)C1
|
Cc1ncc(NC(=O)C23CC(NC(=O)OC(C)(C)C)(CO2)C3)s1
|
CP001545169285
| -28.94 |
O=C(Nc1cncs1)C12CC(CO1)C2
|
Cc1noc(C)c1C(=O)NCCCNC(=O)c1cncc2[nH]ccc12
|
CP003259249556
| -27.71 |
O=C(NCCCNC(=O)c1cncc2[nH]ccc12)c1cnoc1
|
Cc1noc(C(F)F)c1C(=O)NCC[C@H](C)NC(=O)c1cncc2[nH]ccc12
|
CP000806332240
| -27.28 |
O=C(NCCCNC(=O)c1cncc2[nH]ccc12)c1cnoc1
|
CC1(C(=O)NC[C@H]2CCN(C(=O)c3nnc(C(C)(C)C)[nH]3)C2)CCCOC1
|
CP002444760990
| -28.87 |
O=C(NC[C@H]1CCN(C(=O)c2nnc[nH]2)C1)C1CCCOC1
|
O=C(c1coc(C2CC2)n1)N1CC2CCC(C1)N2C(=O)C1COCCO1
|
CP002943930640
| -22.14 |
O=C(c1coc(C2CC2)n1)N1CC2CCC(C1)N2C(=O)C1COCCO1
|
CC(=Cc1cccc(Cl)c1)C(=O)N1CCN(c2nccc(C)n2)CC1
|
CP001576660329
| -34.64 |
O=C(C=Cc1ccccc1)N1CCN(c2ncccn2)CC1
|
COC(=O)c1cnc(N2CCN(C(=O)C=C(C)c3ccccc3OC)CC2)nc1
|
CP000294292478
| -32.55 |
O=C(C=Cc1ccccc1)N1CCN(c2ncccn2)CC1
|
CCC(=CC(=O)N1CCN(c2ncc(C)cn2)C(C)C1)c1ccc(C)cc1
|
CP001447261731
| -31.17 |
O=C(C=Cc1ccccc1)N1CCN(c2ncccn2)CC1
|
Cc1cc(C)nc(N2CCN(C(=O)C=Cc3cccc(F)c3)CC2CCO)n1
|
CP000451681799
| -31.05 |
O=C(C=Cc1ccccc1)N1CCN(c2ncccn2)CC1
|
CSc1ccnc(N2CCN(C(=O)C=Cc3cccc(F)c3)CC2C)n1
|
CP002214312537
| -30.93 |
O=C(C=Cc1ccccc1)N1CCN(c2ncccn2)CC1
|
Cc1cnc(N2CCN(C(=O)C=Cc3cccc(C)c3)CC2)nc1
|
CP002376752659
| -30.63 |
O=C(C=Cc1ccccc1)N1CCN(c2ncccn2)CC1
|
COc1ccc(C(C)=CC(=O)N2CCN(c3ncc(O)cn3)[C@@H](C(C)C)C2)cc1
|
CP000279560581
| -30.24 |
O=C(C=Cc1ccccc1)N1CCN(c2ncccn2)CC1
|
COc1cc(OC)nc(N2CCN(C(=O)C=C(C)c3ccccc3)CC2)n1
|
CP001294809206
| -29.93 |
O=C(C=Cc1ccccc1)N1CCN(c2ncccn2)CC1
|
CCOc1cccc(C=CC(=O)N2CCN(c3nccc(CC#N)n3)CC2)c1
|
CP000481518330
| -28.84 |
O=C(C=Cc1ccccc1)N1CCN(c2ncccn2)CC1
|
COc1ccc(C=CC(=O)N2CCN(c3ncc(C)c(C)n3)[C@@H](C)C2)cc1
|
CP001368391397
| -28.58 |
O=C(C=Cc1ccccc1)N1CCN(c2ncccn2)CC1
|
COc1ccnc(N2CCN(C(=O)C(C)=Cc3ccc(F)c(F)c3)C[C@@H]2C)n1
|
CP000443155271
| -28.11 |
O=C(C=Cc1ccccc1)N1CCN(c2ncccn2)CC1
|
CC(=CC(=O)N1CCN(c2nccc(C)n2)[C@@H](C(C)C)C1)c1ccccc1C
|
CP000443276786
| -27.92 |
O=C(C=Cc1ccccc1)N1CCN(c2ncccn2)CC1
|
COc1ccc(C=CC(=O)N2CCN(c3nc(OC)cc(OC)n3)[C@@H](C)C2)cc1
|
CP000279468248
| -27.86 |
O=C(C=Cc1ccccc1)N1CCN(c2ncccn2)CC1
|
COc1ccnc(N2CCN(C(=O)C=C(C)c3ccccc3OC)CC2C)n1
|
CP000446832445
| -26.82 |
O=C(C=Cc1ccccc1)N1CCN(c2ncccn2)CC1
|
COc1ccc(C=CC(=O)N2CCN(c3ncc(C(C)(C)O)cn3)CC2)c(C)c1
|
CP000294325576
| -25.86 |
O=C(C=Cc1ccccc1)N1CCN(c2ncccn2)CC1
|
CC(=Cc1ccc(F)c(F)c1)C(=O)N1CCN(c2ncccn2)[C@@H](C)C1
|
CP001933926903
| -25.71 |
O=C(C=Cc1ccccc1)N1CCN(c2ncccn2)CC1
|
CC(=Cc1ccccc1Cl)C(=O)N1CCN(c2ncccn2)[C@@H](C(C)C)C1
|
CP001368526332
| -25.3 |
O=C(C=Cc1ccccc1)N1CCN(c2ncccn2)CC1
|
CCn1cnc(C(=O)NCC2(C(C)(C)C)CCN(C(=O)c3cnnn3C)C2)c1
|
CP000664295272
| -29.02 |
O=C(NCC1CCN(C(=O)c2cnn[nH]2)C1)c1c[nH]cn1
|
CC1CN(C(=O)C(C)C2CCOC2)CCC1CNC(=O)C1(O)CCC1
|
CP002428491275
| -27.72 |
O=C(NCC1CCN(C(=O)CC2CCOC2)CC1)C1CCC1
|
CC1CN(C(=O)C(C)C2CCOC2)CCC1CNC(=O)C1CCC1
|
CP003139211552
| -27.41 |
O=C(NCC1CCN(C(=O)CC2CCOC2)CC1)C1CCC1
|
CC(NC(=O)C1CC(F)(F)C1)C1(O)CCN(C(=O)CC2(O)CCOC2)CC1
|
CP001860692077
| -24.5 |
O=C(NCC1CCN(C(=O)CC2CCOC2)CC1)C1CCC1
|
C[C@H](NC(=O)[C@H]1C[C@@H](O)C1)C1CCN(C(=O)CC2COC(C)(C)C2)CC1
|
CP002753382662
| -24.48 |
O=C(NCC1CCN(C(=O)CC2CCOC2)CC1)C1CCC1
|
C=CC1(C(=O)NCC2(F)CCN(C(=O)C(OCC)C3CCOC3)CC2)CCC1
|
CP000743198789
| -22.33 |
O=C(NCC1CCN(C(=O)CC2CCOC2)CC1)C1CCC1
|
COC(C(=O)N1CCC([C@H](C)NC(=O)C2(C(N)=O)CCC2)CC1)C1CCOC1
|
CP000933546956
| -21.96 |
O=C(NCC1CCN(C(=O)CC2CCOC2)CC1)C1CCC1
|
CC(C)C1CC(C(=O)NC(C)(C)C2CCN(C(=O)CC3(O)CCOC3)CC2)C1
|
CP000798266674
| -21.1 |
O=C(NCC1CCN(C(=O)CC2CCOC2)CC1)C1CCC1
|
COC(C(=O)N1CCC([C@H](C)NC(=O)C2CC(F)(F)C2)CC1)C1CCOC1
|
CP001638019259
| -19.8 |
O=C(NCC1CCN(C(=O)CC2CCOC2)CC1)C1CCC1
|
CCC1(C(=O)N[C@@H](C)C2CCN(C(=O)CC3COC(C)(C)C3)CC2)CCC1
|
CP001638412391
| -18.91 |
O=C(NCC1CCN(C(=O)CC2CCOC2)CC1)C1CCC1
|
C[C@H](NC(=O)C1(CF)CCC1)C1CCN(C(=O)C(F)C2CCOC2)CC1
|
CP002753109321
| -18.8 |
O=C(NCC1CCN(C(=O)CC2CCOC2)CC1)C1CCC1
|
CC(C(=O)N1CCC(CN(C)C(=O)C2(C)CC(C)(C)C2)CC1)C1CCOC1
|
CP002122031385
| -18.49 |
O=C(NCC1CCN(C(=O)CC2CCOC2)CC1)C1CCC1
|
CCC1(C(=O)NCC2CCN(C(=O)C(OC)C3CCOC3)CC2C)CCC1
|
CP001603122174
| -15.37 |
O=C(NCC1CCN(C(=O)CC2CCOC2)CC1)C1CCC1
|
CC(C)c1ccoc1C(=O)NCC1CN(CCC2CC2)C1
|
CP002559767687
| -52.5 |
O=C(NCC1CN(CCC2CC2)C1)c1ccco1
|
Cc1coc(C(=O)NC(C)C2CN(CCC3CC3(Cl)Cl)C2)c1
|
CP003478513066
| -38.58 |
O=C(NCC1CN(CCC2CC2)C1)c1ccco1
|
CCCn1nnnc1CN1CCN(C(=O)C2CCN(C(=O)CC)C2)CC1
|
CP001733747646
| -21.43 |
O=C(C1CCNC1)N1CCN(Cc2nnn[nH]2)CC1
|
Cc1sccc1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1CN(C)CCO1
|
CP002503779699
| -35.4 |
O=C(NC[C@@H]1CCCN1C(=O)C1CNCCO1)c1ccsc1
|
C[C@@H](C(=O)N1CC2(CNC(=O)C3CC4(CCOC4)C3)CC1CO2)N(C)C
|
CP002791660647
| -39.18 |
O=C(NCC12CNC(CO1)C2)C1CC2(CCOC2)C1
|
CCCC(C)(O)C(=O)N1CC2(CNC(=O)C3CC4(CCOC4)C3)CC1CO2
|
CP002133796713
| -21.3 |
O=C(NCC12CNC(CO1)C2)C1CC2(CCOC2)C1
|
CC(CN(C)C(=O)CCCC1CCCC(=O)N1)NC(=O)CN1CCN(C)CC1
|
CP001208253829
| -36.75 |
O=C(CCCC1CCCC(=O)N1)NCCNC(=O)CN1CCNCC1
|
O=C(N1CC(O)(CNc2nccn3nnnc23)C1)C1(F)CCS(=O)(=O)C1
|
CP002230313022
| -26.11 |
O=C(C1CCS(=O)(=O)C1)N1CC(CNc2nccn3nnnc23)C1
|
O=C(Cc1cccc(N2CCCC2=O)c1)Nc1ccc(-n2cncn2)c(Cl)c1
|
CP000383670374
| -31.01 |
O=C(Cc1cccc(N2CCCC2=O)c1)Nc1ccc(-n2cncn2)cc1
|
CCC(C)(C)CC(=O)N1CCC[C@@H]1CCNC(=O)c1ccnc2[nH]ncc12
|
CP001943033019
| -23.88 |
O=C(NCC[C@H]1CCCN1)c1ccnc2[nH]ncc12
|
CC1CCC(CCC(=O)N2CCOCC2CN(C)C(=O)C2CCN(C)CC2)O1
|
CP000585481325
| -30.61 |
O=C(NCC1COCCN1C(=O)CCC1CCCO1)C1CCNCC1
|
CN(CCOCCNC(=O)c1sccc1Cl)c1n[nH]c(=O)s1
|
CP003471978012
| -25.26 |
O=C(NCCOCCNc1n[nH]c(=O)s1)c1cccs1
|
C[C@H](NC(=O)C1CCCc2ccnn21)C1CN(C(=O)c2cnn3ccccc23)C1
|
CP000084939293
| -26.21 |
O=C(NCC1CN(C(=O)c2cnn3ccccc23)C1)C1CCCc2ccnn21
|
Cc1ccc(OCC(=O)NC2CN(C(=O)CCCCN3CCCC3)C2)cc1
|
CP002440040288
| -38.85 |
O=C(COc1ccccc1)NC1CN(C(=O)CCCCN2CCCC2)C1
|
Cc1cc(C(=O)N2CCN(C)CC2CNC(=O)CC2CCC=CCC2)on1
|
CP001687221232
| -28.78 |
O=C(CC1CCC=CCC1)NCC1CNCCN1C(=O)c1ccno1
|
C=C1CC1C(=O)NC1C2CCCN(C(=O)CC(C)n3cccn3)C2C1(C)C
|
CP001612559330
| null |
C=C1CC1C(=O)NC1CC2C1CCCN2C(=O)CCn1cccn1
|
O=C(c1csc(=O)[nH]1)N1CCC[C@H](Nc2ccnc(C3CC3)n2)C1
|
CP002383004559
| -25.56 |
O=C(c1csc(=O)[nH]1)N1CCC[C@H](Nc2ccnc(C3CC3)n2)C1
|
Cc1ncc(C(=O)N2CCCC2C2CCCCN2C(=O)CN2CCC2)cc1N
|
CP001130175562
| null |
O=C(CN1CCC1)N1CCCCC1C1CCCN1C(=O)c1cccnc1
|
Cn1ncc2c(=O)[nH]c(N3CCC[C@@H]3CNC(=O)C34CCCC(CO3)C4)nc21
|
CP000452854826
| -28.75 |
O=C(NC[C@H]1CCCN1c1nc2[nH]ncc2c(=O)[nH]1)C12CCCC(CO1)C2
|
O=C1CC(C(=O)N2C[C@H]3CN(C(=O)c4cnns4)C[C@H]3C2)(c2ccccc2)C1
|
CP000908333700
| -24.33 |
O=C1CC(C(=O)N2C[C@H]3CN(C(=O)c4cnns4)C[C@H]3C2)(c2ccccc2)C1
|
CC(C)(C)N1CCC(NC(=O)C(=O)NCCN2CCCNCC2)C1=O
|
CP001575015041
| -45.84 |
O=C(NCCN1CCCNCC1)C(=O)NC1CCNC1=O
|
CC1=C(C(=O)N2CCCC(CNC(=O)Cn3cccnc3=O)CC2)CCC1
|
CP001776243408
| -22.95 |
O=C(Cn1cccnc1=O)NCC1CCCN(C(=O)C2=CCCC2)CC1
|
O=C(NCC1CCN(C(=O)c2cncc(F)n2)CC1)c1ccc2c(c1)CCO2
|
CP001011582516
| -29.35 |
O=C(NCC1CCN(C(=O)c2cnccn2)CC1)c1ccc2c(c1)CCO2
|
Cc1cnc(C(=O)N2CCC([C@H](C)NC(=O)c3ccc4c(c3)CCO4)CC2)cn1
|
CP000210025688
| -27.3 |
O=C(NCC1CCN(C(=O)c2cnccn2)CC1)c1ccc2c(c1)CCO2
|
O=C(NCCCN1CCCC1)C1CC2(CCOCC2)CN1
|
CP002543652789
| -39.75 |
O=C(NCCCN1CCCC1)C1CC2(CCOCC2)CN1
|
O=C(CC1COc2ccccc2O1)NC1CCC2CC1CN2C(=O)c1ccoc1
|
CP000151348864
| -25.31 |
O=C(CC1COc2ccccc2O1)NC1CCC2CC1CN2C(=O)c1ccoc1
|
O=C(NCC1CN(C(=O)Cc2cnco2)CCO1)c1cnc2c(F)cccn12
|
CP001035334602
| -28.2 |
O=C(NCC1CN(C(=O)Cc2cnco2)CCO1)c1cnc2ccccn12
|
CCn1cccc1C(=O)N1CC(NC(=O)CCOc2cccnc2)C(C)(C)C1
|
CP000571850139
| -26.45 |
O=C(CCOc1cccnc1)NC1CCN(C(=O)c2ccc[nH]2)C1
|
CCCc1ccc(C(=O)N2CCC(NC(=O)CCOc3cccnc3)C2)[nH]1
|
CP002315024330
| -25.89 |
O=C(CCOc1cccnc1)NC1CCN(C(=O)c2ccc[nH]2)C1
|
O=C(CC1CCC(F)(F)C1)NCC1(Nc2ncccn2)CC1
|
CP003471271437
| -26.03 |
O=C(CC1CCCC1)NCC1(Nc2ncccn2)CC1
|
Cc1cnc(NC2(CNC(=O)CC3CCC(F)(F)C3)CC2)nc1C
|
CP002917486981
| -24.96 |
O=C(CC1CCCC1)NCC1(Nc2ncccn2)CC1
|
CCOC(C(=O)NCC1(Nc2nc(C)cc(C(=O)NC)n2)CC1)C1CCCC1
|
CP000466973066
| -24.17 |
O=C(CC1CCCC1)NCC1(Nc2ncccn2)CC1
|
COCCOc1ccnc(NC2(CNC(=O)CC3(C)CCCC3)CC2)n1
|
CP002061007650
| -23.86 |
O=C(CC1CCCC1)NCC1(Nc2ncccn2)CC1
|
Cc1cnc(NC2(CNC(=O)C(C)(C)C3CCCC3)CC2)nc1S(C)(=O)=O
|
CP001433004367
| -20.57 |
O=C(CC1CCCC1)NCC1(Nc2ncccn2)CC1
|
C[C@@]12CN(C(=O)Cn3cnnc3)C[C@]1(C)CN(C(=O)[C@H]1C[C@H](n3ccnn3)C1)C2
|
CP000097905472
| -21.38 |
O=C(Cn1cnnc1)N1CC2CN(C(=O)[C@H]3C[C@H](n4ccnn4)C3)CC2C1
|
Cc1cncc(CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2CCOC(C)(C)C2)c1
|
CP000670421050
| -27.4 |
O=C(NC[C@@H]1CCCN1C(=O)Cc1cccnc1)C1CCOCC1
|
Cc1ccncc1CC(=O)N1CCC[C@H]1CNC(=O)C1(F)CCOCC1
|
CP002578967553
| -26.57 |
O=C(NC[C@@H]1CCCN1C(=O)Cc1cccnc1)C1CCOCC1
|
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