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-])c1ccc(Oc2c(F)c(F)c(Oc3ccc(C(=O)[O-])cc3)c(F)c2F)cc1	ZINC000003200452	557455722	/nfs/dbraw/zinc/45/57/22/557455722.db2.gz	OVOHCEMUNFKUKH-UHFFFAOYSA-N	-2	0	422.286	5.224	10	0		HKAERL
CC(C)Cc1ccc([C@]2(C(=O)[O-])CC[C@H](C(=O)[O-])c3ccc(CC(C)C)cc32)cc1	ZINC000077301158	559000816	/nfs/dbraw/zinc/00/08/16/559000816.db2.gz	GXFQAIUKHDCTMF-BKMJKUGQSA-N	-2	0	408.538	5.416	10	0	in-vitro	HKAERL
CC(C)Cc1ccc([C@@]2(C(=O)[O-])CC[C@H](C(=O)[O-])c3ccc(CC(C)C)cc32)cc1	ZINC000077301161	569391415	/nfs/dbraw/zinc/39/14/15/569391415.db2.gz	GXFQAIUKHDCTMF-NVQXNPDNSA-N	-2	0	408.538	5.416	10	0	in-vitro	HKAERL
CC(C)Cc1ccc([C@]2(C(=O)[O-])CC[C@@H](C(=O)[O-])c3ccc(CC(C)C)cc32)cc1	ZINC000077301164	569391393	/nfs/dbraw/zinc/39/13/93/569391393.db2.gz	GXFQAIUKHDCTMF-ATIYNZHBSA-N	-2	0	408.538	5.416	10	0	in-vitro	HKAERL
CC(C)Cc1ccc([C@@]2(C(=O)[O-])CC[C@@H](C(=O)[O-])c3ccc(CC(C)C)cc32)cc1	ZINC000077301168	569391422	/nfs/dbraw/zinc/39/14/22/569391422.db2.gz	GXFQAIUKHDCTMF-GJZUVCINSA-N	-2	0	408.538	5.416	10	0	in-vitro	HKAERL
COc1ccc(-c2ccccc2)c([N-]S(=O)(=O)c2cc([O-])c(Cl)cc2Cl)c1	ZINC000098052689	559126236	/nfs/dbraw/zinc/12/62/36/559126236.db2.gz	LIZVMVYXZWADCK-UHFFFAOYSA-N	-2	0	424.305	5.175	10	0	in-vitro	HKAERL
O=C([O-])c1c(C(F)F)[n-]sc1=NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000675077161	569263012	/nfs/dbraw/zinc/26/30/12/569263012.db2.gz	YRXLTRYZUJPXDX-UHFFFAOYSA-N	-2	0	416.405	5.140	10	0		HKAERL