clean_smiles stringlengths 18 103 | id stringlengths 14 14 | value float64 -53.9 401 ⌀ | scaffold stringlengths 0 100 |
|---|---|---|---|
CN(Cc1ccccc1CNC(=O)c1ccncn1)C(=O)Cc1nncn1C | CP000912599361 | -28.09 | O=C(Cc1nnc[nH]1)NCc1ccccc1CNC(=O)c1ccncn1 |
Cc1cc(C)cc(C(=O)NC(C)CCCNC(=O)c2oc(CC3CC3)nc2C)c1 | CP000099509493 | -26.56 | O=C(NCCCCNC(=O)c1cnc(CC2CC2)o1)c1ccccc1 |
CNc1nnc(CC(=O)N2CC(=C(F)CNC(=O)C3CCC(=O)N3C)C2)s1 | CP001771642354 | -13.69 | O=C1CCC(C(=O)NCC=C2CN(C(=O)Cc3nncs3)C2)N1 |
C[C@@H](NC(=O)c1c[nH]c2cc(Cl)ccc12)C1CN(c2nccn3nnnc23)C1 | CP000453725061 | -26.32 | O=C(NCC1CN(c2nccn3nnnc23)C1)c1c[nH]c2ccccc12 |
O=C(NC(Cc1ccccc1)C1CC1)C(=O)N1CCC(COC2CCNC2)CC1 | CP000293859309 | 1.81 | O=C(NC(Cc1ccccc1)C1CC1)C(=O)N1CCC(COC2CCNC2)CC1 |
O=C1CCC(C(=O)NC[C@H]2C[C@H](NC(=O)C3CCCCS3(=O)=O)C2)=NN1 | CP002519785506 | -19.15 | O=C1CCC(C(=O)NC[C@H]2C[C@H](NC(=O)C3CCCCS3(=O)=O)C2)=NN1 |
Cc1ccc(F)c(CC(=O)N2C[C@H](C)[C@H](NC(=O)C3(c4ccccn4)CC3)C2)c1 | CP000087169289 | -28.32 | O=C(Cc1ccccc1)N1CC[C@H](NC(=O)C2(c3ccccn3)CC2)C1 |
CO[C@@H](C(=O)N1CC[C@H](NC(=O)C2(c3ncccc3F)CC2)C1)c1ccccc1 | CP000372602596 | -18.27 | O=C(Cc1ccccc1)N1CC[C@H](NC(=O)C2(c3ccccn3)CC2)C1 |
O=C(NCC1CCCC2(CN(C(=O)C3(C4CC4)CC3)C2)O1)C1CC2CC1C1CC21 | CP000143773802 | null | O=C(NCC1CCCC2(CN(C(=O)C3(C4CC4)CC3)C2)O1)C1CC2CC1C1CC21 |
Cc1c(C(=O)N2CCC[C@H]2CNC(=O)CCc2ccc(=O)[nH]c2)noc1C1CC1 | CP000117965199 | -12.94 | O=C(CCc1ccc(=O)[nH]c1)NC[C@@H]1CCCN1C(=O)c1cc(C2CC2)on1 |
Cc1cc(OCC(=O)NCCCOCCNC(=O)C2=CCCO2)no1 | CP003067427350 | -20.35 | O=C(COc1ccon1)NCCCOCCNC(=O)C1=CCCO1 |
CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(C)o2)n1CC(C)SC | CP001515892511 | -20.31 | c1coc(-c2nnc(NCc3cn[nH]c3)[nH]2)c1 |
CCN(Cc1cnn(C)c1)c1nnc(-c2ccco2)n1CC(C)(C)C(F)(F)F | CP000479996516 | -18.78 | c1coc(-c2nnc(NCc3cn[nH]c3)[nH]2)c1 |
Cc1ccc(-c2nnc(N(C)Cc3cnn(C)c3)n2CCCNC(=O)C(C)C)o1 | CP000293581711 | -17.61 | c1coc(-c2nnc(NCc3cn[nH]c3)[nH]2)c1 |
CC1(C)CN(C(=O)C2CC3CCCC32)CC2(CN(c3ncnc4[nH]ccc34)C2)O1 | CP000281056324 | null | O=C(C1CC2CCCC21)N1CCOC2(C1)CN(c1ncnc3[nH]ccc13)C2 |
O=C(CN1CCCCC(NC(=O)c2cocn2)C1)NC(=O)Nc1ccccc1 | CP000543644233 | -13.4 | O=C(CN1CCCCC(NC(=O)c2cocn2)C1)NC(=O)Nc1ccccc1 |
Cc1ncc(C)c(N2CCC(C)(CNC(=O)C3(Cc4ccccc4)CC3)CC2)n1 | CP000302780941 | -31.22 | O=C(NCC1CCN(c2ccncn2)CC1)C1(Cc2ccccc2)CC1 |
Cc1cc(N2CCC(CN(C)C(=O)C3(Cc4ccccc4)CC3)CC2)nc(C)n1 | CP000278068110 | -30.62 | O=C(NCC1CCN(c2ccncn2)CC1)C1(Cc2ccccc2)CC1 |
CSc1nccc(N2CCC(CNC(=O)C3(Cc4ccccc4)CC3)CC2)n1 | CP000483768465 | -27.25 | O=C(NCC1CCN(c2ccncn2)CC1)C1(Cc2ccccc2)CC1 |
Cc1nc(O)cc(N2CCC(CN(C)C(=O)C3(Cc4ccccc4)CC3)CC2)n1 | CP000278068123 | -24.49 | O=C(NCC1CCN(c2ccncn2)CC1)C1(Cc2ccccc2)CC1 |
Cc1ccc(CCC(=O)N2CC([C@@H](C)NC(=O)CCc3cncs3)C2)c(C)c1 | CP000792156721 | -27.51 | O=C(CCc1cncs1)NCC1CN(C(=O)CCc2ccccc2)C1 |
CC(Cc1cccc(F)c1)C(=O)N1CC(CNC(=O)CCc2cncs2)C1 | CP002447776592 | -20 | O=C(CCc1cncs1)NCC1CN(C(=O)CCc2ccccc2)C1 |
Cc1cc(C(=O)N2CC(C)C(NC(=O)C3CCSCC3)C2)sn1 | CP003492401576 | -21.69 | O=C(NC1CCN(C(=O)c2ccns2)C1)C1CCSCC1 |
Cc1cccc(C(=O)NC2CCN(C(=O)C3CCc4[nH]c(O)nc4C3)C(C)C2)c1 | CP000253298781 | -24.81 | O=C(NC1CCN(C(=O)C2CCc3[nH]cnc3C2)CC1)c1ccccc1 |
COC(=O)c1ccc(N[C@@H]2CCN(C(=O)c3cccc4c(C)n[nH]c34)C2)nc1 | CP000482712018 | -33.7 | O=C(c1cccc2cn[nH]c12)N1CC[C@@H](Nc2ccccn2)C1 |
CNC(=O)N1CCC(C(=O)NC2(CC(=O)OC)CCOC2)CC1 | CP001546472609 | -19.94 | O=C(NC1CCOC1)C1CCNCC1 |
CC1(NC(=O)C2CCN(CCNC(=O)OC(C)(C)C)CC2)CCOC1 | CP001155243655 | -14.5 | O=C(NC1CCOC1)C1CCNCC1 |
CCN(C(=O)C1CCN(OC)CC1)C1CCOC1 | CP000613234645 | -1.81 | O=C(NC1CCOC1)C1CCNCC1 |
CCCCS(=O)(=O)N1CCC(C(=O)NC2(CC(=O)O)CCOC2)CC1 | CP001216500047 | null | O=C(NC1CCOC1)C1CCNCC1 |
COC(=O)CCC1(NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)CCOC1 | CP001050755378 | null | O=C(NC1CCOC1)C1CCNCC1 |
CC(C)Cn1cccc(C(=O)NCCn2cc(-c3nccs3)nn2)c1=O | CP001271738187 | -27.93 | O=C(NCCn1cc(-c2nccs2)nn1)c1ccc[nH]c1=O |
CCc1nc(C#N)cc(N2CCN(C)C(CNC(=O)C=CCN3CCCC3)C2)n1 | CP000281794686 | -19.89 | O=C(C=CCN1CCCC1)NCC1CN(c2ccncn2)CCN1 |
Cc1nc(N(CCNC(=O)c2conc2C)C2CC2)c2cn[nH]c2n1 | CP002389139021 | -23.21 | O=C(NCCN(c1ncnc2[nH]ncc12)C1CC1)c1cnoc1 |
O=C1CN(C=Cc2ccccc2)C(=O)N1CCC1SCCS1 | CP000318393084 | -28.9 | O=C1CN(C=Cc2ccccc2)C(=O)N1CCC1SCCS1 |
CCC(C)C(=O)N1C[C@@H]2CCCN(C(=O)c3ccc(OC4CC4)cc3)[C@@H]2C1 | CP002004251461 | null | O=C(c1ccc(OC2CC2)cc1)N1CCC[C@H]2CNC[C@H]21 |
C[C@H](C(=O)N1C[C@@H]2CCCN(C(=O)c3ccc(OC4CC4)cc3)[C@@H]2C1)N(C)C | CP000911677374 | null | O=C(c1ccc(OC2CC2)cc1)N1CCC[C@H]2CNC[C@H]21 |
Cc1cnc(N2CCC(CNC(=O)c3ccc(F)cn3)(C3CC3)C2)nc1 | CP002224429464 | -33.97 | O=C(NCC1(C2CC2)CCN(c2ncccn2)C1)c1ccccn1 |
CC(C)(O)c1cnc(N2CCC(CNC(=O)c3ccc(F)cn3)(C3CC3)C2)nc1 | CP000289783638 | -32.58 | O=C(NCC1(C2CC2)CCN(c2ncccn2)C1)c1ccccn1 |
Cc1cccc(C(=O)NCC2(C3CC3)CCN(c3ncc(C(F)F)cn3)C2)n1 | CP000459919718 | -30.22 | O=C(NCC1(C2CC2)CCN(c2ncccn2)C1)c1ccccn1 |
Cc1ccnc(N2CCC(CNC(=O)c3ncccc3F)(C3CC3)C2)n1 | CP002224437922 | -29.6 | O=C(NCC1(C2CC2)CCN(c2ncccn2)C1)c1ccccn1 |
Cc1cnc(N2CCC(CNC(=O)c3ccc(N(C)C)cn3)(C3CC3)C2)nc1 | CP000459964895 | -29.51 | O=C(NCC1(C2CC2)CCN(c2ncccn2)C1)c1ccccn1 |
Cc1cccc(C(=O)NCC2(C3CC3)CCN(c3ncc(C)c(O)n3)C2)n1 | CP001461274932 | -29.45 | O=C(NCC1(C2CC2)CCN(c2ncccn2)C1)c1ccccn1 |
Cc1cnc(N2CCC(CNC(=O)c3ccc(C(N)=O)cn3)(C3CC3)C2)nc1O | CP000289798330 | -26.53 | O=C(NCC1(C2CC2)CCN(c2ncccn2)C1)c1ccccn1 |
Cc1cccnc1CCCNC(=O)Nc1scnc1C1CC1 | CP002176528733 | -24.66 | O=C(NCCCc1ccccn1)Nc1scnc1C1CC1 |
COc1cccc(C(O)C(=O)N2CCC(Nc3ncnc4scc(C)c34)C2)c1 | CP000503457247 | -30.81 | O=C(Cc1ccccc1)N1CCC(Nc2ncnc3sccc23)C1 |
Cc1cccc(C(O)C(=O)N2CC(Nc3ncnc4sccc34)C(C)(C)C2)c1 | CP000419370871 | -29.56 | O=C(Cc1ccccc1)N1CCC(Nc2ncnc3sccc23)C1 |
Cc1cccc(CC(=O)N2CC(C)C(Nc3ncnc4scc(C)c34)C2)c1 | CP001439911719 | -28.94 | O=C(Cc1ccccc1)N1CCC(Nc2ncnc3sccc23)C1 |
Cc1ccoc1C(=O)N1CCCC2(NC(=O)c3coc4c3COC4)CCCC12 | CP000763469799 | null | O=C(NC12CCCC1N(C(=O)c1ccco1)CCC2)c1coc2c1COC2 |
CC(C)(C)c1noc(CN2CCCC2C2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 | CP000496433682 | -19.7 | O=C([C@@H]1CCCO1)N1CCC(C2CCCN2Cc2ncno2)CC1 |
O=C(NC1CC(Nc2cc(O)ncn2)C12CCOCC2)c1ocnc1C(F)F | CP000453820117 | null | O=C(NC1CC(Nc2ccncn2)C12CCOCC2)c1cnco1 |
CCO[C@H]1C[C@H](n2cc(C3CCN(C(=O)c4ccccc4CO)C3)nn2)C1 | CP001174663810 | -19.14 | O=C(c1ccccc1)N1CCC(c2cn(C3CCC3)nn2)C1 |
CC(CNC(=O)c1cccc2cccc(O)c12)CNC(=O)C12COC(CCO1)C2 | CP000230940856 | -24.18 | O=C(NCCCNC(=O)C12COC(CCO1)C2)c1cccc2ccccc12 |
Cc1oncc1C(=O)N1CCCC2(CNC(=O)C(F)c3ccccc3)CCCC12 | CP000056966127 | -21.39 | O=C(Cc1ccccc1)NCC12CCCC1N(C(=O)c1cnoc1)CCC2 |
CC1OC(C)C(C(=O)N2CCC[C@H](NC(=O)COCc3cccnc3)C2)C1C | CP001137826283 | -16.28 | O=C(COCc1cccnc1)N[C@H]1CCCN(C(=O)C2CCOC2)C1 |
Cc1ncc(C(=O)NC2CC(CNC(=O)C=C3CCN(C)C3)C2)c(C(C)C)n1 | CP000891607411 | -25 | O=C(C=C1CCNC1)NCC1CC(NC(=O)c2cncnc2)C1 |
CC1(NC(=O)C2CC3(CC(O)C3)C2)CCN(c2nc(C3CC3)ns2)C1 | CP002399103769 | -22.58 | O=C(NC1CCN(c2nc(C3CC3)ns2)C1)C1CC2(CCC2)C1 |
O=C(NCC1CCN(C(=O)[C@@H]2CCc3ccccc32)CC1)c1ccc(=O)[nH]c1 | CP001010828257 | -30.24 | O=C(NCC1CCN(C(=O)[C@@H]2CCc3ccccc32)CC1)c1ccc(=O)[nH]c1 |
Cc1nc(C(=O)NC2COCCN(C(=O)c3cc(C)c(C)o3)C2)cs1 | CP003242716054 | -25.65 | O=C(NC1COCCN(C(=O)c2ccco2)C1)c1cscn1 |
Cc1nc(C(=O)NC2COCCN(C(=O)c3ccc(F)o3)C2)cs1 | CP003390293945 | -25.61 | O=C(NC1COCCN(C(=O)c2ccco2)C1)c1cscn1 |
CCc1nc(C(=O)NC2COCCN(C(=O)c3ccc(C#N)o3)C2)cs1 | CP002789032566 | -23.67 | O=C(NC1COCCN(C(=O)c2ccco2)C1)c1cscn1 |
COc1ccc(C(=O)N(C)CC2CCN(C(=O)c3oc(C4CC4)nc3C)C2)cc1 | CP000225620439 | -31.41 | O=C(NCC1CCN(C(=O)c2cnc(C3CC3)o2)C1)c1ccccc1 |
Cc1nc(C2CC2)oc1C(=O)N1CCC(CNC(=O)c2cc(C#N)ccc2O)C1 | CP000306145368 | -28.18 | O=C(NCC1CCN(C(=O)c2cnc(C3CC3)o2)C1)c1ccccc1 |
Cc1ccc(O)cc1C(=O)NC(C)C1CCN(C(=O)c2oc(C3CC3)nc2C)C1 | CP000262903654 | -28.02 | O=C(NCC1CCN(C(=O)c2cnc(C3CC3)o2)C1)c1ccccc1 |
CCc1cc(C(=O)NCC2(C)CCN(C(=O)c3cnc(C4CC4)o3)C2)ccc1O | CP000089326714 | -27.13 | O=C(NCC1CCN(C(=O)c2cnc(C3CC3)o2)C1)c1ccccc1 |
O=C(NCC1CCN(C(=O)c2cnc(C3CC3)o2)C1)c1ccc(CF)cc1 | CP002316932924 | -26.05 | O=C(NCC1CCN(C(=O)c2cnc(C3CC3)o2)C1)c1ccccc1 |
CC1CC(CNC(=O)c2cc(N)ccc2O)CN1C(=O)c1cnc(C2CC2)o1 | CP001079126554 | -25.8 | O=C(NCC1CCN(C(=O)c2cnc(C3CC3)o2)C1)c1ccccc1 |
CN(C)c1cccc(C(=O)NCC2(C)CCN(C(=O)c3cnc(C4CC4)o3)C2)c1 | CP000089326336 | -24.55 | O=C(NCC1CCN(C(=O)c2cnc(C3CC3)o2)C1)c1ccccc1 |
COc1ccc(F)cc1C(=O)NCC1CCN(C(=O)c2cnc(C3CC3)o2)C1 | CP001244638939 | -23.99 | O=C(NCC1CCN(C(=O)c2cnc(C3CC3)o2)C1)c1ccccc1 |
O=C(NCC1CCN(C(=O)c2cnc(C3CC3)o2)C1)c1cccc(O)c1 | CP002870825948 | -23.05 | O=C(NCC1CCN(C(=O)c2cnc(C3CC3)o2)C1)c1ccccc1 |
CN(CC1CCN(C(=O)c2cnc(C3CC3)o2)C1)C(=O)c1cccc(O)c1F | CP001134874997 | -21.56 | O=C(NCC1CCN(C(=O)c2cnc(C3CC3)o2)C1)c1ccccc1 |
CC1CC(CNC(=O)c2cccc(F)c2O)CN1C(=O)c1cnc(C2CC2)o1 | CP001079126635 | -20.93 | O=C(NCC1CCN(C(=O)c2cnc(C3CC3)o2)C1)c1ccccc1 |
CC(O)c1ccccc1C(=O)NCC1CCN(C(=O)c2cnc(C3CC3)o2)C1 | CP001244639610 | -20.73 | O=C(NCC1CCN(C(=O)c2cnc(C3CC3)o2)C1)c1ccccc1 |
COc1ccc(C)cc1C(=O)NCC1CN(C(=O)c2cnc(C3CC3)o2)CC1C | CP000263983942 | -18.46 | O=C(NCC1CCN(C(=O)c2cnc(C3CC3)o2)C1)c1ccccc1 |
CC1CN(C(=O)c2cnc(C3CC3)o2)CC1CNC(=O)c1ccc(CC#N)cc1 | CP000263984117 | -14.91 | O=C(NCC1CCN(C(=O)c2cnc(C3CC3)o2)C1)c1ccccc1 |
C=CCC1(C(=O)N2CC(N3CC(NC(=O)C(C)C4CCOC4)CC3=O)C2)CC1 | CP001184163419 | -16.65 | O=C(CC1CCOC1)NC1CC(=O)N(C2CN(C(=O)C3CC3)C2)C1 |
COCC1(C(=O)N2CC(N3CC(NC(=O)CC4CCOC4)CC3=O)C2)CC1 | CP002323443443 | -9.61 | O=C(CC1CCOC1)NC1CC(=O)N(C2CN(C(=O)C3CC3)C2)C1 |
C[C@H]1C[C@@H]1C(=O)N1CC(N2CC(NC(=O)C(C)(C)C3(O)CCOC3)CC2=O)C1 | CP001184149170 | null | O=C(CC1CCOC1)NC1CC(=O)N(C2CN(C(=O)C3CC3)C2)C1 |
CCn1nccc1C=CC(=O)N1CCC(CNC(=O)c2ncccn2)C1(C)C | CP000593967830 | -21.81 | O=C(NCC1CCN(C(=O)C=Cc2ccn[nH]2)C1)c1ncccn1 |
CC(C)(C)c1ncc(C(=O)N2CCC2CNC(=O)COc2ccsn2)cn1 | CP001703253061 | -18.8 | O=C(COc1ccsn1)NCC1CCN1C(=O)c1cncnc1 |
CN(CCOCCNC(=O)C=C1CCC1)C(=O)c1cc2c(s1)CC(C)(C)C2 | CP001837758803 | -17.74 | O=C(C=C1CCC1)NCCOCCNC(=O)c1cc2c(s1)CCC2 |
Cc1nc(C(=O)NCC(C)NC(=O)C2CCCc3[nH]nnc32)[nH]c1C | CP003316831497 | -22.88 | O=C(NCCNC(=O)C1CCCc2[nH]nnc21)c1ncc[nH]1 |
Cn1nnnc1N1CC[C@H](NC(=O)c2ccc(C(C)(C)C)s2)C1 | CP002903410695 | -29.64 | O=C(N[C@H]1CCN(c2nnn[nH]2)C1)c1cccs1 |
CC1CCN(C(=O)C(=O)N(CCNC(=O)C2CCCSC2)C2CC2)CC1 | CP002889245767 | -11.86 | O=C(NCCN(C(=O)C(=O)N1CCCCC1)C1CC1)C1CCCSC1 |
Cc1ccc(CCC(=O)NC2CN(C(=O)c3cnsc3C)CC2(C)C)o1 | CP002538060231 | -30.74 | O=C(CCc1ccco1)NC1CCN(C(=O)c2cnsc2)C1 |
CCN(C(=O)CC(C)c1ccco1)C1CCN(C(=O)c2csnc2OC)C1 | CP002266088887 | -23.33 | O=C(CCc1ccco1)NC1CCN(C(=O)c2cnsc2)C1 |
O=C(NC1COC2(C1)CN(C(=O)C1CC1F)C2)C1CC2(CC(O)C2)C1 | CP003091294616 | -11.54 | O=C(NC1COC2(C1)CN(C(=O)C1CC1)C2)C1CC2(CCC2)C1 |
CCOC1CC1C(=O)N1CC2(CC(NC(=O)C3CC4(CCC4)C3)CO2)C1 | CP002696084235 | -7.7 | O=C(NC1COC2(C1)CN(C(=O)C1CC1)C2)C1CC2(CCC2)C1 |
NC(=O)NC1(C(=O)N2CC3(CC(NC(=O)C4(F)CC5(CCC5)C4)CO3)C2)CC1 | CP000957913585 | null | O=C(NC1COC2(C1)CN(C(=O)C1CC1)C2)C1CC2(CCC2)C1 |
CC(C)C1(C)CC1C(=O)N1CC2(CC(NC(=O)C3CC4(CC(O)C4)C3)CO2)C1 | CP000957915293 | null | O=C(NC1COC2(C1)CN(C(=O)C1CC1)C2)C1CC2(CCC2)C1 |
Cc1noc(CN2CCCCC(NC(=O)c3c[nH]nc3-c3ccccc3)C2)n1 | CP000543760930 | -14.96 | O=C(NC1CCCCN(Cc2ncno2)C1)c1c[nH]nc1-c1ccccc1 |
COc1ncc(NC(=O)C2Cc3c(O)cccc3N2)cc1Br | CP002172723057 | -26.51 | O=C(Nc1cccnc1)C1Cc2ccccc2N1 |
CCCOc1cncc(NC(=O)C2Cc3c(cccc3OC)N2)c1 | CP001325488703 | -25.87 | O=C(Nc1cccnc1)C1Cc2ccccc2N1 |
Cc1cc(F)c2c(c1)NC(C(=O)Nc1ccc(OCCO)nc1)C2 | CP001327144100 | -25.03 | O=C(Nc1cccnc1)C1Cc2ccccc2N1 |
COc1ccc(F)c2c1CC(C(=O)Nc1ccc(C(C)C)nc1)N2 | CP001325675102 | -7.98 | O=C(Nc1cccnc1)C1Cc2ccccc2N1 |
Cc1cc(C(=O)NC(C)CCNC(=O)c2coc(C(C)C)n2)c2c(n1)CCCC2 | CP000310193800 | -28.18 | O=C(NCCCNC(=O)c1ccnc2c1CCCC2)c1cocn1 |
CCc1ocnc1C(=O)NCC(O)CNC(=O)c1cc(C)nc2c1CCCC2 | CP001199059836 | -25.9 | O=C(NCCCNC(=O)c1ccnc2c1CCCC2)c1cocn1 |
O=C(NCc1cnc(-c2ccccc2)s1)N1CC2(C1)CC2(F)F | CP001560480076 | -25.8 | O=C(NCc1cnc(-c2ccccc2)s1)N1CC2(CC2)C1 |
COc1cc(C)cnc1C(=O)NC1CCN(c2ncnc(N)n2)CC1F | CP002221802072 | -33.01 | O=C(NC1CCN(c2ncncn2)CC1)c1ccccn1 |
Cc1cnc(C(=O)NC2CCN(c3nc(N)nc(C(F)F)n3)CC2C)cc1C | CP000474044400 | -32.36 | O=C(NC1CCN(c2ncncn2)CC1)c1ccccn1 |
CCCN(C(=O)c1cc(C)c(C(N)=O)cn1)C1CCN(c2ncnc(N)n2)CC1 | CP000296952815 | -31.32 | O=C(NC1CCN(c2ncncn2)CC1)c1ccccn1 |
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