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 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.