Upload Deco_Hop/positive.csv

Deco_Hop/positive.csv

@@ -0,0 +1,151 @@
+smiles,score
+O=C1COc2cc3ncnc(Nc4ccc(F)cc4)c3cc2N1CCCN1CCOCC1,0.842126859744798
+COc1cc2c(N3CCN(/C(S)=N\c4ccc(-c5cccc[n+]5[O-])cc4)CC3)ncnc2cc1OCCN1CCCCC1,0.8044274649361525
+COc1cc2c(Nc3c(F)ccc(O)c3C)ncnc2cc1OCCN1CCN(C)CC1,0.8333368675516349
+COc1cc2ncnc(Nc3cccc(NC(=O)c4cccc(N(C)C)c4)c3)c2cc1OC,0.8615841073271414
+COc1cc2c(Nc3ccc(F)cc3Cl)ncnc2cc1OCCOCCOCCNC(=O)Cn1cnc([N+](=O)[O-])n1,0.8561038885326182
+COCCOc1cc2ncnc(Nc3ccc(OC4CCN(C(=O)Nc5c(F)cccc5F)CC4)c(C)c3)c2cc1OCCOC,0.8332156353780967
+COc1cc2c(Nc3ccc(NC(=O)Nc4ccc(C)c(C)c4)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1,0.8440803874994178
+COc1cc2ncnc(Nc3cccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)c2cc1OCCCN1CCOCC1,0.8389138471617764
+COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1OC,0.8842401367326591
+CN1CCN(C/C=C/C(=O)N2CCCOc3cc4ncnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4cc32)CC1,0.8445292681759441
+CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC,0.8929510351626684
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+COc1cc2ncnc3c2cc1OCCCCCCOc1c(Cl)cccc1N3,0.8369091597991853
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+COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CCCCC1,0.8360463946057465
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+COc1cc2ncnc(Nc3c(F)ccc(O)c3Cl)c2cc1OC,0.8496956332691472
+COc1cc2ncnc(Nc3cccc(O)c3Br)c2cc1OC,0.8549417380317282
+COc1cc2ncnc(Nc3ccc(OCCn4ccnc4[N+](=O)[O-])c(Cl)c3)c2cc1OCCCN1CCOCC1,0.8629741616272677