| SMILES,Predicted_activity,Probability | |
| COC1=CC=C(C(=O)O)C(=O)C2=CN(F)C(N3CCN(C)CC3)=CC12Cl,0,0.7534972429275513 | |
| CCn1cc(C(=O)O)c(=O)c2c(F)c(F)c(N3CCNCC3)cc21,1,0.9471038579940796 | |
| COc1ccc(Cl)c2ccccc12,0,0.9898338317871094 | |
| COC1CC(C(=O)O)C(=O)C2C(C(=O)O)=C(CCc3nnnn3C)CSC12,0,0.7465823292732239 | |
| CCc1cc(C(=O)O)c(=O)c2cn(F)c(N3CCNCC3)cc1-2,1,0.7548410892486572 | |
| Nc1ccccc1Cc1ccccc1Cc1ccccc1Cl,0,0.9911393523216248 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCCCNCC3)cc21,1,0.8029767870903015 | |
| Oc1cc(Cl)c(Cl)c2cccnc12,0,0.8724346160888672 | |
| COc1cc(C(=O)O)c(=O)c2cn(F)c(N3CCNCC3)cc1-2,1,0.7651128172874451 | |
| Oc1cc(Cl)c(Cl)c2cc(F)c(N3CCNCC3)nc12,1,0.8480020761489868 | |
| [N-]c1ccc(Cl)c2cccnc12,0,0.8830915093421936 | |
| CC1CC2CCCC(CN(C)C)C2SCC(C(N)=O)C(=O)N1c1ccccc1Cl,0,0.9468207955360413 | |
| Nc1nnc(Cl)c2cc(F)c(N3CCNCC3)cc12,1,0.8933462500572205 | |
| CC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.9317389726638794 | |
| COc1ccc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc12,1,0.615841269493103 | |
| COCCCCCC(C)C1C(=O)C2C(=O)C3CC1(Cl)C(OC)C2C3C(=O)O,0,0.9970007538795471 | |
| CCN1C=C(C(=O)O)C(=O)c2cc3c(c1c2Cl)C=C(OC)OCCC3,0,0.8384513854980469 | |
| CCCCCCCCCCCCCCCCCCCCC[N+](C)(O)Cc1ccccc1,0,0.6764677166938782 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349 | |
| Oc1cc(Cl)c(Cl)c2ccccc12,0,0.973675549030304 | |
| CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.9512959718704224 | |
| COc1cc(C(=O)O)c(=N)n2cccnc1C=CC=C(Cl)C=C2Cl,0,0.9233424067497253 | |
| CCc1ccc(Cl)c2cc(F)c(N3CCNCC3)c(F)c2c1=O,1,0.6819376945495605 | |
| CC1CC(c2ccccc2)C(=O)OCC2=C(c3cnnn3C)CCSC21,0,0.9979643821716309 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349 | |
| COc1cc(C2CCCCCCCCCCCCCC[N+](C)(C)C2)c(Cl)cc1Cl,0,0.989147424697876 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349 | |
| CC(C)C1=C2C(=CC(F)=C2N2CCNCC2)C(=O)C(C(=O)O)=C1,0,0.944526731967926 | |
| Oc1ccc(Cl)c2cccnc12,0,0.9159772992134094 | |
| Oc1ccc(Cl)c2cccnc12,0,0.9159772992134094 | |
| COc1cc(Cl)c(CN)c2nc(F)c(N3CCCCNCC3)cc12,0,0.867765486240387 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(C3CCNCC3)cc21,1,0.8112264275550842 | |
| Cc1cc(C(=O)O)c(=O)c2cn(F)c(N3CCNCC3)cc1-2,1,0.8396874666213989 | |
| OCc1c(O)c(O)cc(Cl)c1Cl,0,0.9885056018829346 | |
| CC(C)C1c2ccccc21,0,0.9962090253829956 | |
| CN1CCN(c2ccc([N+](=O)[O-])o2)C(=O)N1,0,0.9731563925743103 | |
| CCC1C=C(C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9314518570899963 | |
| CC(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9213360548019409 | |
| Oc1ccc(Cl)c2cc(F)c(C3CCNCC3)nc12,0,0.6319682598114014 | |
| CC(C=Cc1ccc(Cl)cc1Oc1ccc(C(=O)O)cc1)Cc1ccc(Cl)nc1,0,0.9926700592041016 | |
| CNCCCC(C(=O)O)C(=O)c1cc(F)c(N2CCN(C)CC2)cc1Cl,0,0.5788288116455078 | |
| CC(Cc1ccccc1[O-])[N+](CO)CCCCCCCCCCCCCCCCCCCCCCCC(C)(C)C,0,0.9893576502799988 | |
| CCn1cc(C(=O)O)c(=O)c2cn(N3CCNCC3)c(F)c2c1=O,1,0.8470541834831238 | |
| Oc1cc(Cl)c(Cl)c2cccnc12,0,0.8724346160888672 | |
| Oc1c(F)c(Cl)cc2cccnc12,0,0.8928427696228027 | |
| Oc1c(Cl)cc(Cl)c2ccccc12,0,0.9567755460739136 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(C3CCNCC3)cc21,1,0.8112264275550842 | |
| CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(C3CCNCC3)nc21,1,0.846453070640564 | |
| Cc1cc(Cl)c(Cl)c2ccccc12,0,0.9645193219184875 | |
| Oc1ccc(Cl)c2ccccc12,0,0.9855573773384094 | |
| Cc1cc(Cl)c2cc(F)c(N3CCNCC3)cc2c1C,1,0.6868141293525696 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522 | |
| CC(C)(C)c1ccc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc12,1,0.8100845217704773 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349 | |
| COc1ccc(Cl)c2cc(F)c(N3CCN(C)CC3)c(O)c2c1=O,0,0.8084911108016968 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(O)c(N3CCNCC3)c21,1,0.9403655529022217 | |
| CCn1cc(C(=O)O)c(=O)c2cn(C3CC3)c(F)c2c1=O,0,0.5924252867698669 | |
| Oc1c(Cl)cc(Cl)c2cccnc12,0,0.7155112028121948 | |
| CNC1=CC2=C(F)C=C(C=CCC3CCCCN23)C(=O)C(C(=O)O)=C1,0,0.9426404237747192 | |
| CCn1cc(C(=O)O)c(=O)c2c(F)c(Cl)c(N3CCNCC3)cc21,1,0.9476404190063477 | |
| COc1cc(C(=O)O)c(=O)c2cn(F)c(N3CCCCC3)cc1-2,0,0.729874849319458 | |
| C=C1c2c(cn(N3CCNCC3)c2F)C(=O)C(C(=O)O)=CN1CC,1,0.9418443441390991 | |
| CCCC(C)CC1CCCC1c1cc(OC)nc(N)c1O,0,0.979347288608551 | |
| CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCCCc1cncnc1CCC=O,0,0.9898245930671692 | |
| Oc1ccc(Cl)c2cccnc12,0,0.9159772992134094 | |
| COc1cc(C(=O)O)c(=O)c2cc(F)c(F)c(N3CCNCC3)nc1-2,1,0.568265974521637 | |
| COc1cc(Cl)c(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc12,1,0.6698190569877625 | |
| CCn1cc(C(=O)O)c(=O)c2cn(C3CCNCC3)c(N)c21,1,0.8803500533103943 | |
| CON1CCN(C2=CC3=CC=CC(=O)C(C(=O)O)=CN(C4CC4)C3=C2F)CSC1,0,0.990352213382721 | |
| Nc1c(Cl)c(Cl)c(O)c2nc(C3CCNCC3)c(F)nc12,0,0.7398909330368042 | |
| CC(=O)OC1C(=O)C2C(C(=O)[O-])=C(Cc3ccnn3C)CSC12,0,0.9062821865081787 | |
| CCN1C=C(C(=O)O)C(=O)C2=CN(F)C(N3CCNCC3)=CN21,1,0.5314369797706604 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349 | |
| Cn1nnnc1SCC1=C(C(=O)O)CN2C(=O)C3NC(=O)C3=CC(=O)C2S1,1,0.8773260116577148 | |
| COc1ccc(Cc2cnc(N)nc2N)cc1Oc1ccc(Cl)c2ccccc12,1,0.6317226886749268 | |
| CCn1cc(C(=O)O)c(=O)c2nc(F)c(N3CCNCC3)cc21,1,0.9488834738731384 | |
| Cc1cn(C(=O)O)c(=O)c2cc(F)c(N3CCNCCNCC3)cc12,1,0.7914634346961975 | |
| Cc1ccc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc12,1,0.5348941087722778 | |
| CCN1C=C(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1,1,0.9159485697746277 | |
| Oc1ccc2c(n1)C=CC=CC=C2,0,0.9979531764984131 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)c(F)c21,1,0.9693030118942261 | |
| Oc1cc(Cl)c(Cl)c2cccnc12,0,0.8724346160888672 | |
| CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCOC3COCl,0,0.5387044548988342 | |
| CC1=CC=C(O)C2=C(C)C(N3CCNCC3)=C(F)C12Cl,0,0.9411318302154541 | |
| Oc1cc(F)c(Cl)c2cccnc12,0,0.8569715023040771 | |
| Oc1cc(Cl)c(Cl)c2cccnc12,0,0.8724346160888672 | |
| CCn1cc(C(=O)O)c(=O)c2cc(Cl)c(N3CCN(C)CC3)nc21,1,0.8662186861038208 | |
| Cc1ccc(C(=O)O)c(=O)c2cc(F)c(N3CCNCNCC3)c(F)c12,0,0.7083251476287842 | |
| Cc1ccc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)c(F)c12,1,0.5514320135116577 | |
| Cc1cc(Cl)c(Cl)c2cccnc12,0,0.7900330424308777 | |
| CC(=O)Oc1ccc(Cl)c2nncnc12,0,0.9523324370384216 | |
| CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061 | |
| Cc1ccc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc12,1,0.8478049635887146 | |
| CNCC=C(C(=O)c1ccc(F)cc1)C1=CC=CC(C(=O)O)=CN1C,0,0.9931601285934448 | |
| CCn1cc(C(=O)O)c(=O)c2cnn(N3CCCCC3)c21,1,0.5361437201499939 | |
| COc1cccc2cc(F)c(N3CCCNCC3)cc12,0,0.9295026659965515 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349 | |