clean_smiles stringlengths 18 103 | id stringlengths 14 14 | value float64 -72.94 187 ⌀ | scaffold stringlengths 0 100 |
|---|---|---|---|
C[C@H](NC(=O)C12CCCCN1CCC2)C1CN(C(=O)c2ccc(N(C)C)cn2)C1 | CP000084900288 | -34.13 | O=C(c1ccccn1)N1CC(CNC(=O)C23CCCCN2CCC3)C1 |
Cc1cc(C#N)cc(C(=O)N2CC([C@@H](C)NC(=O)C34CCCCN3CCC4)C2)n1 | CP000094547730 | -33.69 | O=C(c1ccccn1)N1CC(CNC(=O)C23CCCCN2CCC3)C1 |
CCCC(=O)NCCN1CCC(NC(=O)CCC(=O)c2cccs2)CC1 | CP002685430906 | -35.23 | O=C(CCC(=O)c1cccs1)NC1CCNCC1 |
CN(C(=O)CCC(=O)c1cccs1)C1CCN(C(=O)CCCCCF)CC1 | CP001719918960 | -29.56 | O=C(CCC(=O)c1cccs1)NC1CCNCC1 |
CCC(F)C(=O)N1CCC(NC(=O)CCC(=O)c2cccs2)C(CC)C1 | CP002705999958 | -26.76 | O=C(CCC(=O)c1cccs1)NC1CCNCC1 |
NCC1(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CCC1 | CP001293023258 | -44.87 | O=C(NCC1CCC1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 |
O=C(NCC1(O)CCC1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 | CP001509490903 | -28.45 | O=C(NCC1CCC1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 |
O=C(NCC1C2CN(C(=O)CC3CCCCO3)CC12)c1cc[nH]c1C1CCCC1 | CP000261022988 | -29.64 | O=C(NCC1C2CN(C(=O)CC3CCCCO3)CC12)c1cc[nH]c1C1CCCC1 |
Cc1cc(CC(=O)N2CCN(S(=O)(=O)C3CN(C(=O)C(N)=O)C3)CC2)n[nH]1 | CP001977622901 | -21.67 | O=C(Cc1cc[nH]n1)N1CCN(S(=O)(=O)C2CNC2)CC1 |
CCc1ccc(C(=O)NC[C@H]2CCCN2C(=O)C23CCC(C)(C2)OC3)s1 | CP002500798843 | -23.63 | O=C(NC[C@H]1CCCN1C(=O)C12CCC(C1)OC2)c1cccs1 |
CC(=Cc1c[nH]cn1)C(=O)NCC(Nc1nnnn1-c1ccc(C)cc1)C(C)C | CP000299271382 | -32.81 | O=C(C=Cc1c[nH]cn1)NCCNc1nnnn1-c1ccccc1 |
Cc1nc(CC(=O)N(C)C2CCN(C(=O)C3CC34CC(C)(C)C4)C2)cs1 | CP002729706745 | -24.02 | O=C(Cc1cscn1)NC1CCN(C(=O)C2CC23CCC3)C1 |
CC(C(=O)N[C@@H]1CN(C(=O)CSc2nncn2C)C[C@@H]1C)n1cncn1 | CP002645897874 | -28.16 | O=C(Cn1cncn1)N[C@H]1CCN(C(=O)CSc2nnc[nH]2)C1 |
CC(=Cc1ccncc1)C(=O)N1CCCC(N(C)C(=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]23)C1 | CP000308868453 | null | O=C(NC1CCCN(C(=O)C=Cc2ccncc2)C1)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]12 |
Cn1nccc1[C@]1(O)C[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(F)nc1 | CP001504524966 | -24.84 | O=C(NCc1cccnc1)N1[C@@H]2CC[C@H]1CC(c1ccn[nH]1)C2 |
N#Cc1ccc(CC(=O)NC2(CNC(=O)C3COc4ccccc43)CCC2)cn1 | CP000218334823 | -28.69 | O=C(Cc1cccnc1)NC1(CNC(=O)C2COc3ccccc32)CCC1 |
CC1CCN(C(=O)C2=CCCCO2)CCN1C(=O)Cc1cc(F)c(N)cc1F | CP000760196935 | -29.61 | O=C(Cc1ccccc1)N1CCCN(C(=O)C2=CCCCO2)CC1 |
CCN1CCOC(C(=O)NCC2CN(C(=O)Cc3cccc(C4CC4)c3)C2)C1 | CP001105579005 | -40.55 | O=C(NCC1CN(C(=O)Cc2cccc(C3CC3)c2)C1)C1CNCCO1 |
Cn1nc(C(=O)NC2CCC(CNC(=O)c3cc4ccccn4n3)C2)ccc1=O | CP000192507915 | -26.31 | O=C(NCC1CCC(NC(=O)c2ccc(=O)[nH]n2)C1)c1cc2ccccn2n1 |
CC(C)c1ccc(C(=O)NC2CC3CCC2N(C(=O)CC2CSC2)C3)cn1 | CP001606506418 | -25.41 | O=C(NC1CC2CCC1N(C(=O)CC1CSC1)C2)c1cccnc1 |
O=C(NC1CCC2(CC1)CCN(C(=O)c1cnsc1)C2)C1=COCCO1 | CP002595067199 | -19.98 | O=C(NC1CCC2(CC1)CCN(C(=O)c1cnsc1)C2)C1=COCCO1 |
Cn1cc(CCC(=O)N2CC(NC(=O)CCCc3ccccc3)C(C)(C)C2)nn1 | CP000013505188 | -28.04 | O=C(CCCc1ccccc1)NC1CCN(C(=O)CCc2c[nH]nn2)C1 |
CC(CCC(=O)N(C)C1CCN(C(=O)CCc2cn(C)nn2)C1)c1ccccc1 | CP000355690694 | -27.78 | O=C(CCCc1ccccc1)NC1CCN(C(=O)CCc2c[nH]nn2)C1 |
Cc1ccsc1-c1cn(CC(C)NC(=O)CC23COC(C)(C2)C3)nn1 | CP000393123824 | -29.8 | O=C(CC12COC(C1)C2)NCCn1cc(-c2cccs2)nn1 |
O=C(NC(CNC(=O)C1CCc2cn[nH]c2C1)C1CCCC1)C1=NOCC1 | CP001793135375 | -26.29 | O=C(NC(CNC(=O)C1CCc2cn[nH]c2C1)C1CCCC1)C1=NOCC1 |
CN(C(=O)c1ccc2nnnn2c1)C(CNC(=O)c1nncn1C)C1CC1 | CP001844968381 | -31.57 | O=C(NC(CNC(=O)c1nnc[nH]1)C1CC1)c1ccc2nnnn2c1 |
CC(CCNC(=O)CCc1cn[nH]c1)NC(=O)c1cc2c(cc1N)OCCO2 | CP001058518094 | -27.93 | O=C(CCc1cn[nH]c1)NCCCNC(=O)c1ccc2c(c1)OCCO2 |
CC(CC(=O)NCCCNC(=O)c1ccc2c(c1)OCCO2)c1cnn(C)c1 | CP001189543804 | -23.34 | O=C(CCc1cn[nH]c1)NCCCNC(=O)c1ccc2c(c1)OCCO2 |
CCC1CC1C(=O)N1CCCC(NC(=O)c2cccc3nccn23)C1 | CP003300331530 | -25.81 | O=C(NC1CCCN(C(=O)C2CC2)C1)c1cccc2nccn12 |
CCc1cn2c(C(=O)NC3CCCN(C(=O)C4(CC)CC4)C3)cccc2n1 | CP002234330741 | -20.43 | O=C(NC1CCCN(C(=O)C2CC2)C1)c1cccc2nccn12 |
CC1(C)CC(NC(=O)c2cccc3nccn23)CN(C(=O)[C@H]2CC2(F)F)C1 | CP001785337770 | -19.85 | O=C(NC1CCCN(C(=O)C2CC2)C1)c1cccc2nccn12 |
Cc1cc(C(=O)NCc2ccnc(-c3ccccn3)n2)oc1Br | CP001532282716 | -29.65 | O=C(NCc1ccnc(-c2ccccn2)n1)c1ccco1 |
CC1(NC(=O)Cc2cc(C3CC3)on2)CCCN(C(=O)C2CC2(C)C)C1 | CP002785881908 | -24.97 | O=C(Cc1cc(C2CC2)on1)NC1CCCN(C(=O)C2CC2)C1 |
CC1CCC(NC(=O)Cc2cc(C3CC3)on2)CN1C(=O)[C@H]1C[C@@H]1C | CP002422888719 | -24.79 | O=C(Cc1cc(C2CC2)on1)NC1CCCN(C(=O)C2CC2)C1 |
CNC(=O)C1(C(=O)N2CCCC(NC(=O)Cc3cc(C4CC4)on3)C2)CC1 | CP002233955321 | -22.24 | O=C(Cc1cc(C2CC2)on1)NC1CCCN(C(=O)C2CC2)C1 |
C[C@@H](NC(=O)c1ccc2nc(O)cn2c1)C1CN(C(=O)c2cnn(C)c2N)C1 | CP000792650925 | -30.09 | O=C(NCC1CN(C(=O)c2cn[nH]c2)C1)c1ccc2nccn2c1 |
CCn1ncc(C(=O)N2CC(O)(CNC(=O)c3ccc4nc(C)cn4c3)C2)c1C | CP000092065380 | -27.28 | O=C(NCC1CN(C(=O)c2cn[nH]c2)C1)c1ccc2nccn2c1 |
Cc1[nH]ncc1C(=O)N1CC(CNC(=O)c2ccc3nc(O)cn3c2)C1 | CP003008095344 | -27.13 | O=C(NCC1CN(C(=O)c2cn[nH]c2)C1)c1ccc2nccn2c1 |
CC1CN(C(=O)C2CC(=O)Nc3ncccc32)CC1CNC(=O)C(O)C1CC1 | CP000906781479 | -20.84 | O=C(CC1CC1)NCC1CCN(C(=O)C2CC(=O)Nc3ncccc32)C1 |
CC1(CC(=O)NCC2CCN(C(=O)C3CC(=O)Nc4ncccc43)C2(C)C)CC1 | CP000138696036 | -19.62 | O=C(CC1CC1)NCC1CCN(C(=O)C2CC(=O)Nc3ncccc32)C1 |
CC(c1ccsc1)N1CCN(C(=O)C2CCc3nncn3CC2)CC1 | CP001156332939 | -34.95 | O=C(C1CCc2nncn2CC1)N1CCN(Cc2ccsc2)CC1 |
C=C1CCC1C(=O)N1CC2CCCC(C1)N2C(=O)C(c1cccnc1)C(C)C | CP000865918134 | -20.07 | C=C1CCC1C(=O)N1CC2CCCC(C1)N2C(=O)Cc1cccnc1 |
CC1(C#CC(=O)NC2CCCCCN(C(=O)c3ccnc(CO)c3)C2)CCCO1 | CP000007938641 | null | O=C(C#CC1CCCO1)NC1CCCCCN(C(=O)c2ccncc2)C1 |
COc1cccc2c(N(CCNC(=O)Cc3ccc(C)s3)C3CC3)ncnc12 | CP000506011053 | -25.17 | O=C(Cc1cccs1)NCCN(c1ncnc2ccccc12)C1CC1 |
CC(CCNC(=O)Cc1cnns1)N(C)C(=O)CC1OCCCO1 | CP003335600313 | -19.93 | O=C(Cc1cnns1)NCCCNC(=O)CC1OCCCO1 |
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)c1ccc2nnnn2c1)c1cc(O)ncn1 | CP000670334594 | -23.08 | O=C(NC[C@@H]1CCCN1C(=O)c1ccc2nnnn2c1)c1ccncn1 |
CC1CC1CC(=O)NC1CCN(C(=O)C(C)N2CCCCCC2)CC1(C)C | CP001878508506 | -30.52 | O=C(CC1CC1)NC1CCN(C(=O)CN2CCCCCC2)CC1 |
O=C(CN1CCCCCC1)N1CCC(N(CCO)C(=O)CC2CC2)CC1 | CP002804619711 | -19.98 | O=C(CC1CC1)NC1CCN(C(=O)CN2CCCCCC2)CC1 |
O=C(NCCNC(=O)c1cccc2nccn12)c1ccc(-c2cnco2)cc1 | CP001188387986 | -31.89 | O=C(NCCNC(=O)c1cccc2nccn12)c1ccc(-c2cnco2)cc1 |
Cn1cc(CC(=O)NCC2CN(C(=O)[C@@H]3CC3(F)F)CC(C)(C)O2)nn1 | CP002603311192 | -20.89 | O=C(Cc1c[nH]nn1)NCC1CN(C(=O)C2CC2)CCO1 |
O=C(Cc1cccnc1)NC1CCCN(C(=O)C2CCC3C(C2)C3(F)F)CC1 | CP001110112310 | -26.02 | O=C(Cc1cccnc1)NC1CCCN(C(=O)C2CCC3CC3C2)CC1 |
CN(C(=O)CCc1nccs1)C1CN(C(=O)c2ccncc2C(F)(F)F)C1 | CP002166024661 | -29.15 | O=C(CCc1nccs1)NC1CN(C(=O)c2ccncc2)C1 |
CCc1ccc2occ(C(=O)NC3CCCN(C(=O)C(C)N4CCC4)CC3)c2c1 | CP000325873682 | -43.49 | O=C(NC1CCCN(C(=O)CN2CCC2)CC1)c1coc2ccccc12 |
Cc1nc(C=CC(=O)N(C)C2CN(C(=O)C3CC34CCOC(C)C4)C2)[nH]c1C | CP000837803960 | -43.73 | O=C(C=Cc1ncc[nH]1)NC1CN(C(=O)C2CC23CCOCC3)C1 |
CCc1[nH]c(C)nc1C(=O)NCC(NC(=O)C1CC2CC2C1)C1CCCCC1 | CP000682848819 | -24.61 | O=C(NCC(NC(=O)C1CC2CC2C1)C1CCCCC1)c1c[nH]cn1 |
Cc1nsc(C)c1C(=O)N(C)CC(C)NC(=O)C1(C)CCCc2ccccc21 | CP001206572018 | -22.9 | O=C(NCCNC(=O)C1CCCc2ccccc21)c1cnsc1 |
Cc1csc(C(=O)N2CCN(C(=O)CCc3ccc(Cl)s3)CC2)c1 | CP003142976571 | -29.82 | O=C(CCc1cccs1)N1CCN(C(=O)c2cccs2)CC1 |
CC[C@H](C)[C@H](O)C(=O)N1CCOCC(NC(=O)c2ccc3cccnc3n2)C1 | CP000999594627 | -24.47 | O=C(NC1CNCCOC1)c1ccc2cccnc2n1 |
CCC(C)(OC)C(=O)N1CCOCC(NC(=O)c2ccc3cccnc3n2)C1 | CP000999594575 | -23.44 | O=C(NC1CNCCOC1)c1ccc2cccnc2n1 |
CCC(C(=O)N1CCOCC(NC(=O)c2ccc3cccnc3n2)C1)N(C)C | CP000999594429 | -22.39 | O=C(NC1CNCCOC1)c1ccc2cccnc2n1 |
CCc1nc(C(=O)N[C@H]2C[C@H](NC(=O)c3cccn4ncnc34)C2)c[nH]1 | CP002966100915 | -30.41 | O=C(N[C@H]1C[C@H](NC(=O)c2cccn3ncnc23)C1)c1c[nH]cn1 |
CCC1CCCCC1OCC(=O)NCCCN(C)C(=O)C1CCCS1 | CP003269851775 | -23.01 | O=C(COC1CCCCC1)NCCCNC(=O)C1CCCS1 |
C=CCCC(=O)NC1(C2CCN(C3CCN(c4cnn(C)c4)C3=O)CC2)CC1 | CP000624245295 | -28.35 | O=C1C(N2CCC(C3CC3)CC2)CCN1c1cn[nH]c1 |
CC(C)n1cncc1C(=O)N[C@H]1C[C@](F)(CNc2ncc3[nH]cnc3n2)C1 | CP001406202889 | -30.13 | O=C(NC1CC(CNc2ncc3[nH]cnc3n2)C1)c1cnc[nH]1 |
CCC(C)(C)c1nnc(N2CC(NC(=O)C3=CCCC3)CC2C)o1 | CP002931553669 | -25.06 | O=C(NC1CCN(c2nnco2)C1)C1=CCCC1 |
NC1CC(CCNC(=O)C(=O)NCc2ccccc2CN2CCC(O)CC2)C1 | CP000480638392 | -48.86 | O=C(NCCC1CCC1)C(=O)NCc1ccccc1CN1CCCCC1 |
CN1CCCCC1C(=O)N1CCC(O)(C2(NC(=O)C(F)C3CCC3)CC2)CC1 | CP000662562319 | -38.88 | O=C(CC1CCC1)NC1(C2CCN(C(=O)C3CCCCN3)CC2)CC1 |
CC(C)(CC#N)C(=O)N1C(CNC(=O)COCC2CCOC2)CC2COCC21 | CP000834274336 | null | O=C(COCC1CCOC1)NCC1CC2COCC2N1 |
Cc1cc(CCC(=O)N(C)CC(C)CNC(=O)COc2ccon2)nn1C | CP002024591773 | -24.15 | O=C(CCc1cc[nH]n1)NCCCNC(=O)COc1ccon1 |
CC1(C(=O)NCC2CCCN(C(=O)C=Cc3ccco3)CC2)CCC(=O)NC1 | CP000856262469 | -23.27 | O=C1CCC(C(=O)NCC2CCCN(C(=O)C=Cc3ccco3)CC2)CN1 |
Cc1nc(C)c(C(=O)NC2CC3CCC(C2)N3C(=O)CCC2CCCO2)o1 | CP002246102434 | null | O=C(NC1CC2CCC(C1)N2C(=O)CCC1CCCO1)c1cnco1 |
CCc1c(C(=O)N(C)CC2CCCN2C(=O)[C@H]2CCCO2)oc2ccccc12 | CP000733552147 | -28.07 | O=C(NCC1CCCN1C(=O)[C@H]1CCCO1)c1cc2ccccc2o1 |
CCCN(C(=O)C1CCCS1)C1CCN(C(=O)CC2CCC3CC23)CC1 | CP002749947899 | -27.89 | O=C(NC1CCN(C(=O)CC2CCC3CC23)CC1)C1CCCS1 |
CCC1(NC(=O)C2CCCS2)CCN(C(=O)CC2CCC3CC23)CC1 | CP003091445748 | -24.9 | O=C(NC1CCN(C(=O)CC2CCC3CC23)CC1)C1CCCS1 |
CCc1cc(C(=O)N2CCCC3CN(c4cc(C)nc5ncnn45)CCC32)[nH]n1 | CP000297721071 | -36.22 | O=C(c1ccn[nH]1)N1CCCC2CN(c3ccnc4ncnn34)CCC21 |
O=C(CC1CCC2CC2C1)NCC1CCCN(C(=O)C2(CO)COC2)CC1 | CP001776634400 | -29.75 | O=C(CC1CCC2CC2C1)NCC1CCCN(C(=O)C2COC2)CC1 |
Cc1oc(-c2ccccc2)nc1CNC(=O)CCC1(C)CC1 | CP001676982450 | -26.04 | O=C(CCC1CC1)NCc1coc(-c2ccccc2)n1 |
Cc1cc(C(=O)NC2CCN(C(=O)CC3CC4(CCC4)C3)CC2O)nnc1C | CP000564784741 | -25.68 | O=C(NC1CCN(C(=O)CC2CC3(CCC3)C2)CC1)c1cccnn1 |
CC1(NC(=O)c2ccc(Cl)nn2)CCN(C(=O)CC2CC3(CCC3)C2)CC1 | CP001790553163 | -23.75 | O=C(NC1CCN(C(=O)CC2CC3(CCC3)C2)CC1)c1cccnn1 |
CC1(CNC(=O)c2csnn2)CCCN(C(=O)C(C)(O)C2CCC2)C1 | CP003296245747 | -23.4 | O=C(NCC1CCCN(C(=O)CC2CCC2)C1)c1csnn1 |
Cn1ccc2cccc(C(=O)N3CC=CC(NC(=O)C4CCCC45CCC5)C3)c21 | CP000047809616 | -24.29 | O=C(NC1C=CCN(C(=O)c2cccc3cc[nH]c23)C1)C1CCCC12CCC2 |
CCC(C(=O)N1CCCC(c2nc(C)no2)C1)N1CCCC1=O | CP001529572115 | -19.11 | O=C1CCCN1CC(=O)N1CCCC(c2ncno2)C1 |
CC(CNC(=O)c1cnc2n1CCCCC2)(NC(=O)c1cnco1)C1CC1 | CP001935958645 | -26.23 | O=C(NC(CNC(=O)c1cnc2n1CCCCC2)C1CC1)c1cnco1 |
O=C(c1ncnc2nc[nH]c12)N1CC2(CCN(C(=O)C(O)c3cccnc3)C2)C1 | CP000208579515 | -23.1 | O=C(Cc1cccnc1)N1CCC2(C1)CN(C(=O)c1ncnc3nc[nH]c13)C2 |
Cc1cc(C(=O)NCC2(O)CN(C(=O)c3ccc4c(c3)OCO4)C2)c(=O)[nH]n1 | CP000708810458 | -32.46 | O=C(NCC1CN(C(=O)c2ccc3c(c2)OCO3)C1)c1ccn[nH]c1=O |
CCCC(=O)N1CCCCC1CCNC(=O)[C@@H]1CCC(=O)N1 | CP003178186158 | -26.15 | O=C1CC[C@@H](C(=O)NCCC2CCCCN2)N1 |
CN1C(=O)CC[C@H]1C(=O)NCCC1CCCCN1C(=O)C=CCF | CP003437122235 | -24.5 | O=C1CC[C@@H](C(=O)NCCC2CCCCN2)N1 |
CN(C)CC(O)CC(=O)N1CCCCC1CCNC(=O)[C@@H]1CCC(=O)N1 | CP002824261597 | -23.94 | O=C1CC[C@@H](C(=O)NCCC2CCCCN2)N1 |
C[S+]([O-])CCC(=O)N1CCCCC1CCNC(=O)[C@@H]1CCC(=O)N1 | CP003437074325 | -21.79 | O=C1CC[C@@H](C(=O)NCCC2CCCCN2)N1 |
CC(C)C(=O)N1CCCCC1CCNC(=O)[C@@H]1CCC(=O)N1 | CP003178188912 | -21.61 | O=C1CC[C@@H](C(=O)NCCC2CCCCN2)N1 |
C=CCC(C)(C)CC(=O)N1CCCC(C)C1CCNC(=O)[C@@H]1CCC(=O)N1 | CP001611887257 | -20.65 | O=C1CC[C@@H](C(=O)NCCC2CCCCN2)N1 |
CC1CCCN(C(=O)C=CC(N)=O)C1CCNC(=O)[C@@H]1CCC(=O)N1 | CP003250314273 | -16.81 | O=C1CC[C@@H](C(=O)NCCC2CCCCN2)N1 |
CC1NC(=O)CCC1NC(=O)C(=O)N(C)CCCOc1ccc(Cl)cc1 | CP001512909809 | -29.04 | O=C1CCC(NC(=O)C(=O)NCCCOc2ccccc2)CN1 |
CN(CC1CN(c2ccnc(C#N)n2)CCO1)C(=O)c1cn(C)nc1C1CCC1 | CP000129291961 | -26.94 | O=C(NCC1CN(c2ccncn2)CCO1)c1c[nH]nc1C1CCC1 |
CCOc1nc(C(=O)N(C)CC2CCCN(C(=O)C3CC4CCCC43)C2)co1 | CP000993562417 | -26.78 | O=C(NCC1CCCN(C(=O)C2CC3CCCC32)C1)c1cocn1 |
CC1CCN(C(=O)CC2OCCCO2)CCN1C(=O)COCc1ccnn1C | CP000759111826 | -19.19 | O=C(COCc1ccn[nH]1)N1CCCN(C(=O)CC2OCCCO2)CC1 |
CC(C)(C)C1CC(C(=O)N2CCCOC(CNC(=O)C3CSC3)C2)=NO1 | CP002353403106 | -22.6 | O=C(NCC1CN(C(=O)C2=NOCC2)CCCO1)C1CSC1 |
Cc1cccc(OCCC(=O)N2CC[C@@H](Nc3ncnc4onc(C)c34)C2)c1 | CP000482465296 | -34.72 | O=C(CCOc1ccccc1)N1CC[C@@H](Nc2ncnc3oncc23)C1 |
CN1CCN(C(=O)CCC(C)(C)O)C(CNC(=O)c2cncc3ccccc23)C1 | CP000054787515 | -37.78 | O=C(NCC1CNCCN1)c1cncc2ccccc12 |
CCOC(C)C(=O)N1CCN(C)CC1CNC(=O)c1cncc2ccccc12 | CP000768223545 | -36.59 | O=C(NCC1CNCCN1)c1cncc2ccccc12 |
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