smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1ccccc1[C@@](CC)(OP(=O)([O-])[O-])c1ccccc1	ZINC000083407011	185222060	/nfs/dbraw/zinc/22/20/60/185222060.db2.gz	HTRGPNLTINRHAR-KRWDZBQOSA-N	-2	0	320.325	4.012	10	0		DIAERL
O=C([O-])c1ccc(-c2cccc(-c3ccc(C(=O)[O-])cc3)c2)cc1	ZINC000026256062	182434163	/nfs/dbraw/zinc/43/41/63/182434163.db2.gz	KFHMRRYUOBRPAA-UHFFFAOYSA-N	-2	0	318.328	4.417	10	0		DIAERL
O=C([O-])c1cc(Cl)cc(-c2ccc(Cl)c(C(=O)[O-])c2)c1	ZINC000065354741	184327100	/nfs/dbraw/zinc/32/71/00/184327100.db2.gz	CCVZDAFYQBLSBJ-UHFFFAOYSA-N	-2	0	311.120	4.057	10	0		DIAERL
O=C([O-])c1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)cc1Cl	ZINC000065354740	184327137	/nfs/dbraw/zinc/32/71/37/184327137.db2.gz	NBXQCQXTYZJESF-UHFFFAOYSA-N	-2	0	311.120	4.057	10	0		DIAERL
O=C([O-])/C(=C/c1cc(Cl)c([O-])c(Cl)c1)c1ccccc1	ZINC000016890781	182062271	/nfs/dbraw/zinc/06/22/71/182062271.db2.gz	AWUDVMVZEMXQTP-IZZDOVSWSA-N	-2	0	309.148	4.324	10	0		DIAERL
CCc1ccccc1[C@](CC)(OP(=O)([O-])[O-])c1ccccc1	ZINC000083407009	185222187	/nfs/dbraw/zinc/22/21/87/185222187.db2.gz	HTRGPNLTINRHAR-QGZVFWFLSA-N	-2	0	320.325	4.012	10	0		DIAERL
O=C([O-])c1cc(-c2cccc(Cl)c2C(=O)[O-])ccc1Cl	ZINC000065354743	184327154	/nfs/dbraw/zinc/32/71/54/184327154.db2.gz	PWEIEEODSWUFJP-UHFFFAOYSA-N	-2	0	311.120	4.057	10	0		DIAERL
O=C([O-])c1cc(-c2ccc(Cl)c(C(=O)[O-])c2)ccc1Cl	ZINC000065354739	184326879	/nfs/dbraw/zinc/32/68/79/184326879.db2.gz	WZASJRGRJAXNIS-UHFFFAOYSA-N	-2	0	311.120	4.057	10	0		DIAERL
O=C([O-])c1cc(-c2cc(Cl)ccc2C(=O)[O-])ccc1Cl	ZINC000065354742	184326893	/nfs/dbraw/zinc/32/68/93/184326893.db2.gz	ACNHUTHABHJFKM-UHFFFAOYSA-N	-2	0	311.120	4.057	10	0		DIAERL
O=C([O-])c1ccc(Cl)c(-c2ccc(Cl)c(C(=O)[O-])c2)c1	ZINC000065354744	184327028	/nfs/dbraw/zinc/32/70/28/184327028.db2.gz	QRFBHJIUIDPOAN-UHFFFAOYSA-N	-2	0	311.120	4.057	10	0		DIAERL