smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)c1cc(OP(=O)([O-])[O-])ccc1[N+](=O)[O-]	ZINC000071317665	176121968	/nfs/dbraw/zinc/12/19/68/176121968.db2.gz	ZGEADVVWFRPTKO-UHFFFAOYSA-N	-2	0	275.197	2.364	1	5		CEBFRL
CC(C)(C)c1ccc(OP(=O)([O-])[O-])c([N+](=O)[O-])c1	ZINC000071317209	176122070	/nfs/dbraw/zinc/12/20/70/176122070.db2.gz	LRFWWERRAKPUHH-UHFFFAOYSA-N	-2	0	275.197	2.364	1	5		CEBFRL
COC(=O)c1cc([O-])cc2oc3cccc(=O)c-3c([O-])c21	ZINC000071317650	176122248	/nfs/dbraw/zinc/12/22/48/176122248.db2.gz	YBQTVIMCHXORHO-UHFFFAOYSA-N	-2	0	286.239	2.144	1	5		CEBFRL
O=C([O-])CCSC(=S)[N-]c1ccc([N+](=O)[O-])cc1	ZINC000006512113	170208570	/nfs/dbraw/zinc/20/85/70/170208570.db2.gz	YGHYFASWXGQOMN-UHFFFAOYSA-N	-2	0	286.334	2.500	1	5		CEBFRL
COc1cc2c([O-])c3c(=O)cccc-3oc2c(OC)c1[O-]	ZINC000014764565	290843350	/nfs/dbraw/zinc/84/33/50/290843350.db2.gz	JNEXYTCBXFBLEK-UHFFFAOYSA-N	-2	0	288.255	2.375	1	5	biogenic,in-vitro	CEBFRL
O=c1cc([O-])c([N+](=O)[O-])c2oc3ccccc3c([O-])c1-2	ZINC000040407207	174254277	/nfs/dbraw/zinc/25/42/77/174254277.db2.gz	JQVNKQLMDXUURL-UHFFFAOYSA-N	-2	0	273.200	2.266	1	5		CEBFRL