smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(Br)c(C)c2)ccc1[O-]	ZINC000012536038	564268078	/nfs/dbraw/zinc/26/80/78/564268078.db2.gz	KEONTMLJIVMIOA-UHFFFAOYSA-N	-2	3	399.266	3.222	10	10		GGCEHL
CCCCCC(=O)c1c([O-])cc2c(c1O)C(=O)c1c([O-])cc(OC)cc1C2=O	ZINC000005437144	206261889	/nfs/dbraw/zinc/26/18/89/206261889.db2.gz	MLTVHORGISIISB-UHFFFAOYSA-N	-2	3	384.384	3.350	10	10		GGCEHL
CCCCCC(=O)c1c([O-])cc2c(c1[O-])C(=O)c1c([O-])cc(OC)cc1C2=O	ZINC000005437144	206261893	/nfs/dbraw/zinc/26/18/93/206261893.db2.gz	MLTVHORGISIISB-UHFFFAOYSA-N	-3	3	384.384	3.350	10	10		GGCEHL
COc1cc(/C=C2\C(=O)[N-]N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1[O-]	ZINC000000647673	206311846	/nfs/dbraw/zinc/31/18/46/206311846.db2.gz	JMWOZTMZDJYKCC-LFYBBSHMSA-N	-2	3	393.226	3.477	10	10		GGCEHL
COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc([O-])c(F)c1	ZINC000070330248	1409745679	/nfs/dbraw/zinc/74/56/79/1409745679.db2.gz	JEDOLGDVCNXXOJ-UHFFFAOYSA-N	-2	3	376.203	3.103	10	10		GGCEHL
CCCCC[C@H](O)c1c([O-])cc2c(c1O)C(=O)c1c([O-])cc(OC)cc1C2=O	ZINC000013374820	221268418	/nfs/dbraw/zinc/26/84/18/221268418.db2.gz	ZWFWVRGWGWHKBK-ZDUSSCGKSA-N	-2	3	386.400	3.201	10	10		GGCEHL
COc1cc(/C=C2\C(=O)[N-]N(c3cccc(Cl)c3)C2=O)cc(Cl)c1[O-]	ZINC000001190263	206364823	/nfs/dbraw/zinc/36/48/23/206364823.db2.gz	BIMJUKGZQNTNPW-LFYBBSHMSA-N	-2	3	379.199	3.169	10	10		GGCEHL
O=S(=O)([N-]c1ccc([O-])c(F)c1)c1cc(Br)cnc1Cl	ZINC000070330150	1409746000	/nfs/dbraw/zinc/74/60/00/1409746000.db2.gz	MWPNFSBJAYVPAQ-UHFFFAOYSA-N	-2	3	381.610	3.143	10	10		GGCEHL
O=S(=O)([N-]c1ccc([O-])c(F)c1)c1c(F)cc(F)cc1Br	ZINC000070330251	1409745621	/nfs/dbraw/zinc/74/56/21/1409745621.db2.gz	WWYLPPZMKGLCTO-UHFFFAOYSA-N	-2	3	382.157	3.373	10	10		GGCEHL