| SMILES,Predicted_activity,Probability | |
| CCN1C=C(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.9495472311973572 | |
| ,0,0.9988452196121216 | |
| CC(C)(C)c1nc(N)c2cc(C3CCNCC3)n(F)cc-2c1=O,0,0.8454850316047668 | |
| CC1CCC1c1c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1F,1,0.8438567519187927 | |
| 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 | |
| CC1CCC(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.8531956076622009 | |
| Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9565858244895935 | |
| ,0,0.9988452196121216 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522 | |
| CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.9512959718704224 | |
| CCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.9357052445411682 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349 | |
| ,0,0.9988452196121216 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522 | |
| O=C1C=C(Cl)C=C1Cl,0,0.988903820514679 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21,1,0.9392331838607788 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522 | |
| ,0,0.9988452196121216 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349 | |
| CC1=C(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.9120402932167053 | |
| CC(=O)Oc1ccc(Cl)cc1Cl,0,0.9858869910240173 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349 | |
| ,0,0.9988452196121216 | |
| CC(=O)Oc1ccc(Cl)c(Cl)c1Cl,0,0.999046266078949 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522 | |
| ,0,0.9988452196121216 | |
| CN1CNC(=O)C2C(C(=O)O)=C(CSc3nnnn3C)CSC21,1,0.6624380946159363 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349 | |
| ,0,0.9988452196121216 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522 | |
| CC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9104276895523071 | |
| COc1ccc(C(C)(C)CCC(=O)C(C)(C)C)cc1O,0,0.9953214526176453 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522 | |
| ,0,0.9988452196121216 | |
| O=C1CCOC(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.7212211489677429 | |
| ,0,0.9988452196121216 | |
| ,0,0.9988452196121216 | |
| CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.9512959718704224 | |
| ,0,0.9988452196121216 | |
| CC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.9317389726638794 | |
| CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1,1,0.9673447012901306 | |
| CC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.9317389726638794 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349 | |
| CC(=O)CC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.9166823625564575 | |
| ,0,0.9988452196121216 | |
| COC1C2=CC(C3CCNCC3)=C21,0,0.997317373752594 | |
| ,0,0.9988452196121216 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349 | |
| ,0,0.9988452196121216 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349 | |
| CCN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.9559361338615417 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349 | |
| 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 | |
| Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9530918002128601 | |
| ,0,0.9988452196121216 | |
| ,0,0.9988452196121216 | |
| CC1CN=C(C(=O)O)C(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.6936272382736206 | |
| ,0,0.9988452196121216 | |
| Nc1nnnn1CCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.9763588905334473 | |
| CC(=O)OC1C(=O)C2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.7527074813842773 | |
| ,0,0.9988452196121216 | |
| CCN1C=CC=C(O)c2ccc(N3CCNCC3)nc21,0,0.5349985957145691 | |
| 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 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522 | |
| ,0,0.9988452196121216 | |
| CCC1C=C(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.8889309167861938 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21,1,0.9392331838607788 | |
| CC(N)CC(=O)CCCC(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9273046255111694 | |
| ,0,0.9988452196121216 | |
| ,0,0.9988452196121216 | |
| CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061 | |
| ,0,0.9988452196121216 | |
| COn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.8850416541099548 | |
| CCN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.9559361338615417 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522 | |
| CC(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)SSC12,1,0.8718698024749756 | |
| ,0,0.9988452196121216 | |
| CC1CC(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)=N1,1,0.8652397990226746 | |
| ,0,0.9988452196121216 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21,1,0.9392331838607788 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522 | |
| ,0,0.9988452196121216 | |
| CC(C)OCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1,1,0.952967643737793 | |
| ,0,0.9988452196121216 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349 | |
| CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.9512959718704224 | |
| ,0,0.9988452196121216 | |