smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(CCO)CC[N+](C)(CCO)CCO	ZINC000005115397	717098693	/nfs/dbraw/zinc/09/86/93/717098693.db2.gz	PILRTNICSYHZCR-UHFFFAOYSA-N	1	0	221.321	-1.658	10	5		BABERO
O=[N+]([O-])c1nccn1C[C@H](O)C[NH2+]CCO	ZINC000005117608	187242441	/nfs/dbraw/zinc/24/24/41/187242441.db2.gz	QTQYNIHOQCATOC-SSDOTTSWSA-N	1	0	230.224	-1.266	10	5		BABERO
C[N+](C)(C)[C@@H]1[C@H](O)O[C@H]2[C@@H]1OC[C@@H]2O	ZINC000017724865	717113198	/nfs/dbraw/zinc/11/31/98/717113198.db2.gz	JWGSLHUUFGFOCS-OFPUPOEVSA-N	1	0	204.246	-1.462	10	5		BABERO
O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[NH2+]CC1	ZINC000043403901	182073056	/nfs/dbraw/zinc/07/30/56/182073056.db2.gz	SUGKCWLKQOBPIT-UHFFFAOYSA-N	1	0	240.223	-1.382	10	5		BABERO
COC(=O)[C@@H](N)CC[C@@H](NC(N)=[NH2+])[N+](=O)[O-]	ZINC000141293035	345840778	/nfs/dbraw/zinc/84/07/78/345840778.db2.gz	ZNNMGBHOPQXPQS-WHFBIAKZSA-N	1	0	233.228	-1.857	10	5		BABERO
COC(=O)[C@@H](N)CC[C@H](NC(N)=[NH2+])[N+](=O)[O-]	ZINC000141293411	345840989	/nfs/dbraw/zinc/84/09/89/345840989.db2.gz	ZNNMGBHOPQXPQS-CRCLSJGQSA-N	1	0	233.228	-1.857	10	5		BABERO