smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cc(Nc2nc(Cl)nc(Cl)n2)ccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc21	ZINC000005487815	526354355	/nfs/dbraw/zinc/35/43/55/526354355.db2.gz	XUKNSVZRTGCRPH-UHFFFAOYSA-N	-1	2	495.278	5.204	50	5		JKBALM
Cc1cc([O-])c(C2=Nc3cc(C(F)(F)F)ccc3S[C@@H](c3ccc(O)c([N+](=O)[O-])c3)C2)c(=O)o1	ZINC000008951179	554833704	/nfs/dbraw/zinc/83/37/04/554833704.db2.gz	NDSFFUNJOCMKHL-LJQANCHMSA-N	-1	2	492.431	5.644	50	5		JKBALM
Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4c5ccccc5cc5ccccc54)[C@@H]3C2=O)cc1	ZINC000230007326	570043426	/nfs/dbraw/zinc/04/34/26/570043426.db2.gz	JPCDTXWJEMQXSW-FRXPANAUSA-N	-1	2	484.555	6.353	50	5		JKBALM
Cc1cc([O-])c(C2=Nc3cc(C(F)(F)F)ccc3S[C@H](c3ccc(O)c([N+](=O)[O-])c3)C2)c(=O)o1	ZINC000008951178	554833655	/nfs/dbraw/zinc/83/36/55/554833655.db2.gz	NDSFFUNJOCMKHL-IBGZPJMESA-N	-1	2	492.431	5.644	50	5		JKBALM
O=C([O-])c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc21	ZINC000003877744	194366159	/nfs/dbraw/zinc/36/61/59/194366159.db2.gz	NJQHZBRWPXRTIW-UHFFFAOYSA-N	-1	2	495.278	5.204	50	5		JKBALM
O=[N+]([O-])c1cc(Oc2c(F)c(F)c(Oc3ccc(O)c([N+](=O)[O-])c3)c(F)c2F)ccc1[O-]	ZINC000098086366	569750324	/nfs/dbraw/zinc/75/03/24/569750324.db2.gz	QWYYEDHTFYGBHO-UHFFFAOYSA-N	-1	2	456.260	5.055	50	5		JKBALM