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-])C1C2C=CC(C2)C1C(=O)NC1CCC(CC2CCC(NC(=O)C3C4C=CC(C4)C3C(=O)[O-])CC2)CC1	ZINC000100949225	554536751	/nfs/dbraw/zinc/53/67/51/554536751.db2.gz	FBWMFNAPIRDKSF-NTJOPIAISA-N	-2	2	538.685	3.772	40	0		KHABLL
O=C(Nc1ccc(/C=C/c2ccc(NC(=O)c3cc(S(=O)(=O)[O-])c4cccnc4c3O)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1)c1cc(S(=O)(=O)[O-])c2cccnc2c1O	ZINC000169332505	562859179	/nfs/dbraw/zinc/85/91/79/562859179.db2.gz	NNHYHQPZMITHQP-AATRIKPKSA-N	-4	2	872.846	3.856	40	0		KHABLL
O=C(Nc1ccc(/C=C\c2ccc(NC(=O)c3cc(S(=O)(=O)[O-])c4cccnc4c3O)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1)c1cc(S(=O)(=O)[O-])c2cccnc2c1O	ZINC000195767094	1066501965	/nfs/dbraw/zinc/50/19/65/1066501965.db2.gz	NNHYHQPZMITHQP-WAYWQWQTSA-N	-4	2	872.846	3.856	40	0		KHABLL
COc1cc(C(c2c([O-])n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1	ZINC000409067469	1066709183	/nfs/dbraw/zinc/70/91/83/1066709183.db2.gz	QYJFTRZJFWZNJT-UHFFFAOYSA-N	-2	2	691.582	3.860	40	0		KHABLL
COc1cc(C(c2c([O-])n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409075627	1066704755	/nfs/dbraw/zinc/70/47/55/1066704755.db2.gz	SMMKXBDUZBUCAP-UHFFFAOYSA-N	-2	2	691.582	3.860	40	0		KHABLL
COc1cc(C(c2c([O-])n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409105690	1066725309	/nfs/dbraw/zinc/72/53/09/1066725309.db2.gz	LQPAHLIHZVORGR-UHFFFAOYSA-N	-2	2	647.131	3.751	40	0		KHABLL
COc1cc(C(c2c([O-])n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1	ZINC000409109013	1066730618	/nfs/dbraw/zinc/73/06/18/1066730618.db2.gz	ZNTOOSVHHYPWPQ-UHFFFAOYSA-N	-2	2	647.131	3.751	40	0		KHABLL