smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)Oc1ccccc1[C@@H]1CC(=O)Oc2cc(=O)c3c([O-])cc(-c4ccc(O)cc4)oc-3c21	ZINC000217761135	569881476	/nfs/dbraw/zinc/88/14/76/569881476.db2.gz	MSDRTRNIKFWFIC-SFHVURJKSA-N	-1	1	458.466	5.099	50	70	biogenic	JKIAMM
COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@@H](c2cccc(Cl)c2F)CC(=O)O4)cc1O	ZINC000217830653	569881756	/nfs/dbraw/zinc/88/17/56/569881756.db2.gz	ATVMZFSFGHRHAP-CYBMUJFWSA-N	-1	1	482.847	5.113	50	70	biogenic	JKIAMM
COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@H](c2cccc(OC(C)C)c2)CC(=O)O4)cc1O	ZINC000217927436	569882137	/nfs/dbraw/zinc/88/21/37/569882137.db2.gz	POPQUQABUXFEBG-SFHVURJKSA-N	-1	1	488.492	5.108	50	70	biogenic	JKIAMM
COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@H](c2ccc(C(C)C)cc2)CC(=O)O4)cc1O	ZINC000217627662	569880719	/nfs/dbraw/zinc/88/07/19/569880719.db2.gz	OAFHQYAQXRKAHM-SFHVURJKSA-N	-1	1	472.493	5.444	50	70	biogenic	JKIAMM
CC(C)Oc1ccccc1[C@H]1CC(=O)Oc2cc(=O)c3c([O-])cc(-c4ccc(O)cc4)oc-3c21	ZINC000217761220	569881460	/nfs/dbraw/zinc/88/14/60/569881460.db2.gz	MSDRTRNIKFWFIC-GOSISDBHSA-N	-1	1	458.466	5.099	50	70	biogenic	JKIAMM
COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@@H](c2cccc(OC(C)C)c2)CC(=O)O4)cc1O	ZINC000217927364	569882099	/nfs/dbraw/zinc/88/20/99/569882099.db2.gz	POPQUQABUXFEBG-GOSISDBHSA-N	-1	1	488.492	5.108	50	70	biogenic	JKIAMM
COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@@H](c2ccccc2OC(C)C)CC(=O)O4)cc1O	ZINC000217740830	569881362	/nfs/dbraw/zinc/88/13/62/569881362.db2.gz	SIGNMSSLSBPXKD-QGZVFWFLSA-N	-1	1	488.492	5.108	50	70	biogenic	JKIAMM
COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@H](c2cccc(Cl)c2F)CC(=O)O4)cc1O	ZINC000217830732	569881743	/nfs/dbraw/zinc/88/17/43/569881743.db2.gz	ATVMZFSFGHRHAP-ZDUSSCGKSA-N	-1	1	482.847	5.113	50	70	biogenic	JKIAMM
COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@@H](c2ccc(C(C)C)cc2)CC(=O)O4)cc1O	ZINC000217627583	569880722	/nfs/dbraw/zinc/88/07/22/569880722.db2.gz	OAFHQYAQXRKAHM-GOSISDBHSA-N	-1	1	472.493	5.444	50	70	biogenic	JKIAMM
COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@H](c2ccccc2OC(C)C)CC(=O)O4)cc1O	ZINC000217740920	569881312	/nfs/dbraw/zinc/88/13/12/569881312.db2.gz	SIGNMSSLSBPXKD-KRWDZBQOSA-N	-1	1	488.492	5.108	50	70	biogenic	JKIAMM