SMILES,Predicted_activity,Probability
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)cc21,1,0.9521006941795349
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349
CCn1cc(C(=O)O)c(=O)c2c(F)c(F)c(N3CCNCC3)cc21,1,0.9471038579940796
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349
CCNCCC(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9659621119499207
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
CCN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1,1,0.9707790017127991
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
COn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.8972378969192505
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
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)cc21,1,0.9521006941795349
CC(=O)OC1C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CSC12,1,0.8708243370056152
CCC1CCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1,1,0.9136323928833008
CC(C)C1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9147716760635376
CCn1cc(C(=O)O)c(=O)c2c(F)c(F)c(N3CCNCC3)cc21,1,0.9471038579940796
CN(C)C1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9331246018409729
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)c(F)c21,1,0.9693030118942261
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522
Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)C(O[SH](C)(=O)OO)C2SC1,0,0.6685982346534729
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)c(F)c21,1,0.9693030118942261
CC1=CCCCC(=O)C2SCC(CSc3nnnn3C)=C(C(=O)O)N2C1=O,1,0.8161324858665466
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21,1,0.9392331838607788
CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1,1,0.9673447012901306
CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
CN(C)C1C(=O)N2C(C(=O)O)=C(Cc3nnnn3C)CSC12,1,0.897712767124176
CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)c(F)c21,1,0.9693030118942261
CON=C1C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CSC12,1,0.942196249961853
CC(NO)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9023883938789368
CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349
CN(C)C1C2SCC(CSc3nnnn3C)=C(C(=O)O)N2C(=O)[N+]1(C)C,0,0.5207733511924744
CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349
CC(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9213360548019409
C=C1C=C(C(=O)O)C(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.7109852433204651
COC1CCC(Cc2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1,1,0.8684822916984558
COc1cn(CC(=O)O)c(=O)c2nc(F)c(N3CCNCC3)cc12,1,0.9118040204048157
CC(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9213360548019409
COn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.8972378969192505
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)c(F)c21,1,0.9693030118942261
COc1ccc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc12,1,0.8806175589561462
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349
CN(C)C1C(=O)N2C(C(=O)O)=C(COc3nnnn3C)CSC12,1,0.9197584390640259
CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
CNC(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9392977356910706
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349
CC(=O)OC1C(=O)N2C(C(=O)O)=C(COc3nnnn3C)CSC12,1,0.9110217094421387
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)c(F)c21,1,0.9693030118942261
CN(C)C1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9331246018409729
CC(=O)Oc1ccc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc12,1,0.8312147855758667
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349
COn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.8972378969192505
Cc1ccc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc12,1,0.5348941087722778
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
COC1=C2C=C(N3CCNCC3)C(F)=C2C(=O)C(C(=O)O)=C1,0,0.9035214781761169
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)C1,1,0.9317389726638794
COn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.8972378969192505
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.9484897255897522
Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)C(OS(C)(=O)=O)C2SC1,1,0.5428059697151184
Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9565858244895935
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349
CO[PH](=O)(=O)Nc1ccc([N+](=O)[O-])o1,0,0.9991484880447388
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(N3CCNCC3)nc21,1,0.9484897255897522
CCn1cc(C(=O)O)c(=O)c2nc(F)c(N3CCNCC3)nc21,1,0.9600178599357605
CC(=O)OC1=CC(O)=C2C1=CC(N1CCNCC1)=C2O,0,0.9938165545463562
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
Cn1ncc(C(=O)NC2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CSC23)n1,1,0.930608332157135
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)CS1,1,0.9475189447402954
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)c(F)c21,1,0.9693030118942261
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
CCn1nc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.890222430229187
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)c(F)c21,1,0.9693030118942261
CCn1cc(C(O)NO)c(=O)c2cc(F)c(N3CCNCC3)nc21,1,0.8864554166793823
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,1,0.9521006941795349
CN(C)C1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9331246018409729
CC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1,1,0.9423315525054932
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)c(F)c21,1,0.9693030118942261