smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-]	ZINC000008216956	560207124	/nfs/dbraw/zinc/20/71/24/560207124.db2.gz	MLWXSIMRTQAWHY-UHFFFAOYSA-N	-2	0	408.472	4.689	10	30	in-vitro,metabolite	HJEERL
CCCCCCCCCCCCCCCCOC(=O)[C@H](CC(=O)[O-])S(=O)(=O)[O-]	ZINC000111874764	520000624	/nfs/dbraw/zinc/00/06/24/520000624.db2.gz	YPDAPDJFLCYFAL-SFHVURJKSA-N	-2	0	422.584	4.742	10	30		HJEERL
C=C(C)[C@@H]1Cc2cc(C(=O)[O-])cc(-c3cc(C(=O)[O-])cc4c3O[C@H](C(=C)C)C4)c2O1	ZINC000015211150	518645288	/nfs/dbraw/zinc/64/52/88/518645288.db2.gz	XEDPIBGELAXEOZ-PMACEKPBSA-N	-2	0	406.434	4.509	10	30	biogenic,in-vitro	HJEERL
CN1C(=O)/C(=C\c2cc(Cl)c([O-])c(Cl)c2)S/C1=N/c1ccc(C(=O)[O-])cc1	ZINC000033293677	523673478	/nfs/dbraw/zinc/67/34/78/523673478.db2.gz	IPHRWXNUSZEWPF-KOCWCRCYSA-N	-2	0	423.277	4.631	10	30		HJEERL