smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2c([O-])c3c(=O)cc(OC)c([C@@H](O)[C@@H]4OC4(C)C)c-3n(C)c2c1OC	ZINC000014587141	571712777	/nfs/dbraw/zinc/71/27/77/571712777.db2.gz	IPKWOZPFADULKT-CTNGQTDRSA-N	-1	3	415.442	2.634	1	5	endogenous,in-man	HFBFHM
COc1ccc2c(=O)c3c([O-])cc(OC)c([C@@H](O)[C@@H]4OC4(C)C)c3n(C)c2c1OC	ZINC000014587141	571712780	/nfs/dbraw/zinc/71/27/80/571712780.db2.gz	IPKWOZPFADULKT-CTNGQTDRSA-N	-1	3	415.442	2.634	1	5	endogenous,in-man	HFBFHM
COc1ccc2c([O-])c3c(=O)cc(OC)c([C@@H](O)[C@H]4OC4(C)C)c-3n(C)c2c1OC	ZINC000014587144	571712845	/nfs/dbraw/zinc/71/28/45/571712845.db2.gz	IPKWOZPFADULKT-TZIWHRDSSA-N	-1	3	415.442	2.634	1	5	endogenous,in-man	HFBFHM
COc1ccc2c(=O)c3c([O-])cc(OC)c([C@@H](O)[C@H]4OC4(C)C)c3n(C)c2c1OC	ZINC000014587144	571712848	/nfs/dbraw/zinc/71/28/48/571712848.db2.gz	IPKWOZPFADULKT-TZIWHRDSSA-N	-1	3	415.442	2.634	1	5	endogenous,in-man	HFBFHM
COc1ccc2c([O-])c3c(=O)cc(OC)c([C@H](O)[C@@H]4OC4(C)C)c-3n(C)c2c1OC	ZINC000014587143	571712957	/nfs/dbraw/zinc/71/29/57/571712957.db2.gz	IPKWOZPFADULKT-FPOVZHCZSA-N	-1	3	415.442	2.634	1	5	endogenous,in-man	HFBFHM
COc1ccc2c(=O)c3c([O-])cc(OC)c([C@H](O)[C@@H]4OC4(C)C)c3n(C)c2c1OC	ZINC000014587143	571712959	/nfs/dbraw/zinc/71/29/59/571712959.db2.gz	IPKWOZPFADULKT-FPOVZHCZSA-N	-1	3	415.442	2.634	1	5	endogenous,in-man	HFBFHM
COc1ccc2c([O-])c3c(=O)cc(OC)c([C@H](O)[C@H]4OC4(C)C)c-3n(C)c2c1OC	ZINC000014587146	571712823	/nfs/dbraw/zinc/71/28/23/571712823.db2.gz	IPKWOZPFADULKT-PZJWPPBQSA-N	-1	3	415.442	2.634	1	5	endogenous,in-man	HFBFHM
COc1ccc2c(=O)c3c([O-])cc(OC)c([C@H](O)[C@H]4OC4(C)C)c3n(C)c2c1OC	ZINC000014587146	571712828	/nfs/dbraw/zinc/71/28/28/571712828.db2.gz	IPKWOZPFADULKT-PZJWPPBQSA-N	-1	3	415.442	2.634	1	5	endogenous,in-man	HFBFHM