smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]1O[C@@H](c2ccc3c(c2[O-])C(=O)c2ccc(C[C@@](C)(O)CC(=O)[O-])c(O)c2C3=O)C[C@H]2O[C@H]3CC(=O)[C@H](C)O[C@H]3O[C@H]12	ZINC000005567878	552505118	/nfs/dbraw/zinc/50/51/18/552505118.db2.gz	LOVVVDDAKZKPHZ-JVQTYOSKSA-N	-2	1	596.585	2.348	40	10	biogenic,in-vitro	KECBML
O=C1c2c([O-])cc(S(=O)(=O)[O-])cc2C=C(S(=O)(=O)[O-])C1=NNc1ccc(S(=O)(=O)[O-])cc1	ZINC000012405015	553362952	/nfs/dbraw/zinc/36/29/52/553362952.db2.gz	QUIGZRGHRCBCRU-ZCXUNETKSA-N	-4	1	504.476	2.407	40	10		KECBML
O=C([O-])c1ccc(COc2ccc(C=C3C(=O)[N-]C(=S)NC3=O)cc2I)cc1	ZINC000408776550	1066390876	/nfs/dbraw/zinc/39/08/76/1066390876.db2.gz	PJPUBRPZSRRQOC-UHFFFAOYSA-N	-2	1	508.293	2.483	40	10		KECBML
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409068759	1066402277	/nfs/dbraw/zinc/40/22/77/1066402277.db2.gz	VDVYZYZUAGRQKE-UHFFFAOYSA-N	-2	1	538.319	2.491	40	10		KECBML