| SMILES,Predicted_activity,Probability | |
| CCn1cc(C(=O)O)c(=O)c2c(F)c(N3CCNCC3)n(F)c21,1,0.9318495988845825 | |
| CC(=O)OCc1ccc(Cl)cc1Cl,0,0.9948827028274536 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349 | |
| CC1CCC(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.8531956076622009 | |
| Oc1cnc(Cl)c2ccccc12,0,0.9389194846153259 | |
| CC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.9317389726638794 | |
| NCC1CC(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CO1,1,0.7846951484680176 | |
| 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)CC1,1,0.9673447012901306 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522 | |
| CCC1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1,1,0.8560106158256531 | |
| CC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.9317389726638794 | |
| CCn1cc2c(N3CCNCC3)c(F)cc-2c(=O)c(C(=O)O)c1,1,0.8546392321586609 | |
| CSn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9230949878692627 | |
| 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 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349 | |
| CN(C)C1C(=O)N2C(C(=O)O)=C(Cc3nnnn3C)CSC12,1,0.897712767124176 | |
| COC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.951654851436615 | |
| CC(CO)OC1C(=O)C2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.5013205409049988 | |
| 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)cc21,1,0.9521006941795349 | |
| C=C(C)Oc1ccc(CC(=O)O)cc1Cl,0,0.9967093467712402 | |
| COc1ccc(Cc2cnc(N)nc2)cc1C,0,0.726137101650238 | |
| CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1,1,0.9673447012901306 | |
| COc1ccc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc12,1,0.615841269493103 | |
| CC(N)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.8930479884147644 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522 | |
| COn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.8850416541099548 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349 | |
| CCC(O)COc1ccccc1[N+](=O)[O-],0,0.994881272315979 | |
| O=C(O)CCC12C=CC=CC1=C2O,0,0.9969905614852905 | |
| CCn1cc(C(=O)O)c(=O)c2c(F)c(F)c(N3CCNCC3)nc21,1,0.9339983463287354 | |
| CC(CNCC(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12)c1csc(N)n1,1,0.9871754050254822 | |
| 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 | |
| Oc1c(Cl)cc(Cl)cc1Cl,0,0.9917962551116943 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522 | |
| CC1CCC(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CO1,1,0.6029909253120422 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522 | |
| CC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.9317389726638794 | |
| C=C1C(C(=O)O)=CN(CC)c2cc(N3CCNCC3)c(F)cc21,1,0.786750316619873 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522 | |
| CC(C)(C)Cc1ccc(C(O)(F)F)c(F)c1Cl,0,0.9856716394424438 | |
| Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9565858244895935 | |
| CC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1,1,0.9423315525054932 | |
| CC1CCCCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1,1,0.9185641407966614 | |
| Cc1cc(Cl)cc(Cl)c1C(=O)CC(C)C,0,0.9950157999992371 | |
| 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 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522 | |
| COC1=CC(Cl)=CC(O)=C2C=CC=CC12Cl,0,0.9965692758560181 | |
| Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9565858244895935 | |
| COc1ccc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc12,1,0.8806175589561462 | |
| 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 | |
| CC(C)CCCCCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9628556370735168 | |
| CCn1cc(C(=O)O)c(=O)c2cc(C3CCNCC3)n(F)c21,1,0.7241681814193726 | |
| CC1CC(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.8352848887443542 | |
| CC1CCC(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1,1,0.8660973906517029 | |
| 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(N3CCN(C)CC3)cc21,1,0.9392331838607788 | |
| CCN1CCC(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.9070504903793335 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349 | |
| NC1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1,1,0.9197015762329102 | |
| 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 | |
| CC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1,1,0.9423315525054932 | |
| CC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1,1,0.9423315525054932 | |
| O=C1CCC(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.8638494610786438 | |
| CCN1C=C(C(=O)O)C(=O)C2=CC(F)=C(N3CCNCC3)N(N)N21,1,0.6362583637237549 | |
| Cc1cc(O)c(Cl)cc1Cl,0,0.9951863884925842 | |
| Cc1cc(Cl)ccc1OCc1cccc(Cl)c1Cl,0,0.985191822052002 | |
| 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 | |
| CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061 | |
| CC(=O)Oc1ccc([N+](=O)[O-])o1,0,0.9863885045051575 | |
| CN(C)c1ccc([N+](=O)[O-])o1,0,0.9921342134475708 | |
| Cc1ccc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc12,1,0.8478049635887146 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522 | |
| CC(=O)Oc1ccc(Cl)c2ccccc12,0,0.9839479327201843 | |
| Cc1ccccc1OCc1ccc(Cl)cc1Cl,0,0.9744739532470703 | |
| Cc1c(N2CCN(C)CC2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12,1,0.9480035901069641 | |
| CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C)CC1,1,0.9330685138702393 | |
| Cc1cc(C(C)(C)C)c(O)cc1OCOc1c(Cl)cc(Cl)cc1Cl,0,0.9910372495651245 | |
| 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 | |
| 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 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC3)nc21,1,0.9437906742095947 | |
| 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 | |
| CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1[S-],0,0.6871803998947144 | |
| O=C1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)NC1,1,0.9474763870239258 | |
| CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349 | |
| CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061 | |
| CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1,1,0.9673447012901306 | |
| NCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9521172642707825 | |