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-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1	ZINC000004147399	557520064	/nfs/dbraw/zinc/52/00/64/557520064.db2.gz	BTMWPCZAKUWSNT-UHFFFAOYSA-N	-2	1	407.403	2.961	50	10		HFCAML
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000002982280	558780108	/nfs/dbraw/zinc/78/01/08/558780108.db2.gz	FBLVKSVBGQBYOO-VGOFMYFVSA-N	-3	1	402.453	2.979	50	10		HFCAML
Cc1ncc(CNC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])s1	ZINC000072311880	558797267	/nfs/dbraw/zinc/79/72/67/558797267.db2.gz	BMJFIGCSZFSUTG-UHFFFAOYSA-N	-2	1	409.514	2.949	50	10		HFCAML
O=C([O-])c1cc(Br)ccc1-c1ccc(/C=C2/C(=O)[N-]C(=S)NC2=O)o1	ZINC000002215257	569310402	/nfs/dbraw/zinc/31/04/02/569310402.db2.gz	DQPLTMIFSWTWIT-UHFFFAOYSA-N	-2	1	421.228	2.733	50	10		HFCAML
O=C([O-])c1cc(Br)ccc1-c1ccc(/C=C2\C(=O)[N-]C(=S)NC2=O)o1	ZINC000002215257	569310404	/nfs/dbraw/zinc/31/04/04/569310404.db2.gz	DQPLTMIFSWTWIT-UHFFFAOYSA-N	-2	1	421.228	2.733	50	10		HFCAML
O=C([O-])c1cc(Br)ccc1-c1ccc(C=C2C(=O)[N-]C(=S)NC2=O)o1	ZINC000002215257	569310406	/nfs/dbraw/zinc/31/04/06/569310406.db2.gz	DQPLTMIFSWTWIT-UHFFFAOYSA-N	-2	1	421.228	2.733	50	10		HFCAML
COc1ccc(-c2nn(CCC(=O)[O-])cc2C=C2SC(=S)[N-]C2=O)cc1OC	ZINC000003270896	558780413	/nfs/dbraw/zinc/78/04/13/558780413.db2.gz	OCZICCNVLSHYGF-ZSOIEALJSA-N	-2	1	419.484	2.531	50	10		HFCAML
O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)c1	ZINC000020058185	568586917	/nfs/dbraw/zinc/58/69/17/568586917.db2.gz	XUJDIFQXIKDNAI-UHFFFAOYSA-N	-2	1	407.403	2.961	50	10		HFCAML
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1cc([N+](=O)[O-])ccc1[O-]	ZINC000004459202	132277317	/nfs/dbraw/zinc/27/73/17/132277317.db2.gz	LXCLXLZKNHYQKJ-WQLSENKSSA-N	-2	1	402.750	2.533	50	10		HFCAML
Cc1c2ccc([O-])c(O)c2oc(=O)c1CC(=O)NCC1(CC(=O)[O-])CCCCC1	ZINC000006624347	569075538	/nfs/dbraw/zinc/07/55/38/569075538.db2.gz	ICIMECWGOZJDHC-UHFFFAOYSA-N	-2	1	403.431	2.597	50	10	biogenic	HFCAML
O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000004062688	557508980	/nfs/dbraw/zinc/50/89/80/557508980.db2.gz	LBBSTUFZLPYFGT-UHFFFAOYSA-N	-2	1	407.403	2.961	50	10		HFCAML