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-])CCCCCCCOc1ccc(NC(=O)c2c(O)nc3ccc([N+](=O)[O-])cc3c2[O-])cc1	ZINC000013440355	562962991	/nfs/dbraw/zinc/96/29/91/562962991.db2.gz	IMZSHAPVERWPQP-UHFFFAOYSA-N	-2	0	483.477	4.611	1	5		JJBFRL
O=C([O-])CCCCCCCOc1ccc(NC(=O)c2c([O-])[n-]c3cccc([N+](=O)[O-])c3c2=O)cc1	ZINC000013440345	562963014	/nfs/dbraw/zinc/96/30/14/562963014.db2.gz	RVAUDRRVJOFJJT-UHFFFAOYSA-N	-3	0	483.477	4.611	1	5		JJBFRL
O=S(=O)([O-])c1ccc(-c2ccnc3c2ccc2c(-c4cccc(S(=O)(=O)[O-])c4)ccnc23)cc1	ZINC000013543800	560219459	/nfs/dbraw/zinc/21/94/59/560219459.db2.gz	GTBSSZZGINYBDZ-UHFFFAOYSA-N	-2	0	492.534	4.610	1	5	in-vitro	JJBFRL
CC1(C)Cc2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)cc5C(=O)[O-])CC4(C)C)cc3C(=O)[O-]	ZINC000049068686	563201001	/nfs/dbraw/zinc/20/10/01/563201001.db2.gz	HMHMMHWBIBJFCU-UHFFFAOYSA-N	-2	0	458.518	4.752	1	5		JJBFRL
CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)[O-])n1Cc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000013831907	562999501	/nfs/dbraw/zinc/99/95/01/562999501.db2.gz	IXMJCBAYROCMQD-LICLKQGHSA-N	-2	0	469.519	4.653	1	5		JJBFRL
O=C([O-])c1ccc(Oc2cc3ccccc3cc2NC(=O)c2cc([N+](=O)[O-])ccn2)cc1C(=O)[O-]	ZINC000013587597	562977203	/nfs/dbraw/zinc/97/72/03/562977203.db2.gz	UWNWXSQXVWBOKI-UHFFFAOYSA-N	-2	0	473.397	4.584	1	5		JJBFRL