smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1nnc(C2=C(O)C(=Cc3ccc(OCC(=O)[O-])c(OC)c3)SC2=N)s1	ZINC000135846301	559288581	/nfs/dbraw/zinc/28/85/81/559288581.db2.gz	GBGCOLZVUBBKSE-IEZVZPHUSA-N	-1	2	419.484	2.990	40	0		HFABLM
O=C([O-])c1ccc(/C=C2\SC(=O)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1	ZINC000015223477	569344959	/nfs/dbraw/zinc/34/49/59/569344959.db2.gz	NAHAVPSFZDFTGH-ZROIWOOFSA-N	-1	2	413.367	2.674	40	0		HFABLM
O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)o2)cc1	ZINC000006971039	569336729	/nfs/dbraw/zinc/33/67/29/569336729.db2.gz	WEHGTUGJKBIDNF-MHWRWJLKSA-N	-1	2	403.350	2.706	40	0		HFABLM
O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(I)cc2)c1	ZINC000020304866	560883511	/nfs/dbraw/zinc/88/35/11/560883511.db2.gz	PLCIJEXGBXKWML-UHFFFAOYSA-N	-1	2	421.187	2.929	40	0		HFABLM
Cc1cc(=O)n(-c2nc(Nc3ccc(F)c(Cl)c3)nc(N3N=C(C)CC3=O)n2)[n-]1	ZINC000001091069	560556093	/nfs/dbraw/zinc/55/60/93/560556093.db2.gz	HFUPJNRTWSVSHO-UHFFFAOYSA-N	-1	2	416.804	2.633	40	0		HFABLM