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-])[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)c1cc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1[O-]	ZINC000028712813	561953428	/nfs/dbraw/zinc/95/34/28/561953428.db2.gz	AFNBFHIGRCNYAR-VABKMULXSA-N	-2	1	590.593	2.515	1	5		KFBFML
O=C([O-])[C@H]1[C@@H](C(=O)[O-])NCCN1C(=O)c1ccc2cc(I)c3ccccc3c2c1	ZINC000082152408	562740065	/nfs/dbraw/zinc/74/00/65/562740065.db2.gz	OETACQDMBICFOM-ZWKOTPCHSA-N	-2	1	504.280	2.549	1	5		KFBFML
O=[N+]([O-])c1cc2c(O)c(c1)Cc1cc(S(=O)(=O)[O-])cc(c1O)Cc1cc(S(=O)(=O)[O-])cc(c1O)Cc1cc(S(=O)(=O)[O-])cc(c1O)C2	ZINC000096939412	562804790	/nfs/dbraw/zinc/80/47/90/562804790.db2.gz	HRQXLWVJPDYJQM-UHFFFAOYSA-N	-3	1	709.685	2.834	1	5		KFBFML