smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1C1C[NH2+]C1	ZINC001164905877	721568399	/nfs/dbraw/zinc/56/83/99/721568399.db2.gz	HPDXKOWEKMJKFF-WBVHZDCISA-N	1	3	414.441	1.553	20	5		HDBDHO
O=[N+]([O-])c1cnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1C1C[NH2+]C1	ZINC001164905467	721568748	/nfs/dbraw/zinc/56/87/48/721568748.db2.gz	HPDXKOWEKMJKFF-RDJZCZTQSA-N	1	3	414.441	1.553	20	5		HDBDHO
O=[N+]([O-])c1cnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1C1C[NH2+]C1	ZINC001164905463	721568662	/nfs/dbraw/zinc/56/86/62/721568662.db2.gz	HPDXKOWEKMJKFF-NVXWUHKLSA-N	1	3	414.441	1.553	20	5		HDBDHO
C[NH+]1CCC(N2CCC(NC(=O)COc3ccc(C=O)cc3[N+](=O)[O-])CC2)CC1	ZINC000731623023	1075417817	/nfs/dbraw/zinc/41/78/17/1075417817.db2.gz	XEUBUCJWVBWUEW-UHFFFAOYSA-N	1	3	404.467	1.461	20	5		HDBDHO
O=[N+]([O-])c1cnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1C1C[NH2+]C1	ZINC001164905459	721568535	/nfs/dbraw/zinc/56/85/35/721568535.db2.gz	HPDXKOWEKMJKFF-DOTOQJQBSA-N	1	3	414.441	1.553	20	5		HDBDHO