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]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000004521728	181119825	/nfs/dbraw/zinc/11/98/25/181119825.db2.gz	QSUILVWOWLUOEU-KZFLBEFCSA-N	-1	0	315.234	-1.134	50	5	biogenic	DABARM
O=C([O-])[C@@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@H](O)[C@@H]1O	ZINC000004521727	181119277	/nfs/dbraw/zinc/11/92/77/181119277.db2.gz	QSUILVWOWLUOEU-VEOFNUSFSA-N	-1	0	315.234	-1.134	50	5	biogenic	DABARM
O=C([O-])[C@@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000004027678	181064748	/nfs/dbraw/zinc/06/47/48/181064748.db2.gz	QSUILVWOWLUOEU-DSPMHBFJSA-N	-1	0	315.234	-1.134	50	5	biogenic	DABARM
O=C([O-])[C@H]1O[C@@H](Oc2ccccc2[N+](=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O	ZINC000059765766	184140987	/nfs/dbraw/zinc/14/09/87/184140987.db2.gz	UADVJQJTJSOJOQ-GOVZDWNOSA-N	-1	0	315.234	-1.134	50	5	in-vitro	DABARM
NC(=O)C1=C[C@@]2([N+](=O)[O-])CN(CC(=O)[O-])C[C@@]([N+](=O)[O-])(C1)C2	ZINC000004574449	303238094	/nfs/dbraw/zinc/23/80/94/303238094.db2.gz	OSIZXDQWOJQCCB-WDEREUQCSA-N	-1	0	314.254	-1.377	50	5		DABARM
O=C([O-])[C@@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000012658893	373659652	/nfs/dbraw/zinc/65/96/52/373659652.db2.gz	QSUILVWOWLUOEU-OFKSJOQMSA-N	-1	0	315.234	-1.134	50	5	biogenic	DABARM
O=C([O-])[C@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000004027679	181064193	/nfs/dbraw/zinc/06/41/93/181064193.db2.gz	QSUILVWOWLUOEU-GOVZDWNOSA-N	-1	0	315.234	-1.134	50	5	in-vitro	DABARM
NC(=O)C1=C[C@]2([N+](=O)[O-])CN(CC(=O)[O-])C[C@]([N+](=O)[O-])(C1)C2	ZINC000002751478	303238068	/nfs/dbraw/zinc/23/80/68/303238068.db2.gz	OSIZXDQWOJQCCB-MNOVXSKESA-N	-1	0	314.254	-1.377	50	5		DABARM