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Upload Sitagliptin_MPO/medium.csv

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+ smiles,score
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+ O=C(NC1=CCC(F)N=C1)N[C@H]1C=C(F)N(C2=CC(CF)C=CN2F)C1=O,0.6761715957085485
132
+ O=C(Nc1cnn(CC(F)F)c1)N[C@@H]1CC(=O)N(c2ccccc2)C1,0.5006362392207276
133
+ CC1=CCC(CC(=O)NNC(=O)C2=NC=CN(C(F)F)N2C(F)C(F)F)=C1,0.7023866151990099
134
+ FC(F)COc1ccn2c(-c3cncc(N[C@H]4CNC[C@@H]4F)n3)cnc2c1,0.5484784014319561
135
+ O=S(=O)(C1=CN(F)CC(CNCC2C=CN=C2F)=C1)C1=CC(F)N=CC1F,0.6332747044645511
136
+ CC1=C(S(=O)(=O)NN2CNC3=C(CF)C(F)C(C)=C3C2=O)C(F)C(F)C=C1F,0.6324113317966908
137
+ O=C(NCC1=CC(F)NC=C1)N(F)CC1=NN(C2=CC(F)C(F)C=C2)N1,0.7117877465610788
138
+ Cc1cc(C2CN(C)C(=O)C2C(=O)Nc2ccc(F)nc2F)nn1C(F)F,0.5343742454850025
139
+ O=C(/N=C1\N=[NH+][C@@H](C2C=NC=C2CC(F)C(F)F)S1)C1=CC=CC(OF)C1,0.624102799700087
140
+ CN(CC(F)(F)F)C(=O)CN/C(N)=N/Cc1ccc(OC(F)(F)F)cc1,0.5983938092280975
141
+ O=C(CNC(=O)NN(CF)C1C=CC=C1C(F)(F)F)NC=CC(F)(F)CF,0.6044326400320901
142
+ NC1=C(F)C(F)C(F)N=C1N(CC1=CC=CC=N1)ON1C=C(F)N=CC1,0.6093780397694486
143
+ O=C(NCNC(=O)N[C@H]1C=CC(F)C(F)=C1)NC1=CC(F)C(F)C(F)=C1,0.638711453129442
144
+ CC(N/C([O-])=C(\C#N)C(=O)C1C=CN(C)C(C=CC(F)(F)F)=C1)C(F)F,0.6708947682610644
145
+ O=C(NNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1)NC1N=C(F)C(F)C(F)C1F,0.6325695328188453
146
+ CN(C1=CC(OCC(F)F)=NC=N1)N(C)C1=NC=CN=C1OCC(F)F,0.6560490245010452
147
+ Cn1cc(C/N=C(\N)NCc2ccc(OC(F)(F)F)cc2)cn1,0.5090601714979076
148
+ O=C(C=CNNNC(=O)c1cccc(F)c1)C1=CC(OC(F)F)C=CC1F,0.6224559894875793
149
+ N#CSC1=CC(Cl)C(C(=O)C(=O)CN(CCF)[NH+](F)CC2C=CC(Cl)=C2F)C=N1,0.6421008721690574
150
+ CN(F)C1C(F)=CC(/C(F)=C\C(=O)N[C@H](C(N)=O)C(C)(F)N(C)F)=C(F)C1F,0.605268106679167
151
+ OCC(CC1C=CC(F)=CC1F)NC1=NN=NN1C1=CC(F)C(F)C1F,0.7204743757254851