smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([C@@H](CC(=O)N2CCCCC2)c2c([O-])cc(O)c3c(=O)cc(-c4ccccc4)oc32)cc1	ZINC000218008604	569882481	/nfs/dbraw/zinc/88/24/81/569882481.db2.gz	OQPRHOIBMJCLIN-JOCHJYFZSA-N	-1	0	499.563	5.414	50	70	biogenic	JKIARM
CC(C)Oc1ccccc1[C@@H]1CC(=O)Oc2cc([O-])c3c(=O)cc(-c4ccc(O)cc4)oc3c21	ZINC000217761135	569881474	/nfs/dbraw/zinc/88/14/74/569881474.db2.gz	MSDRTRNIKFWFIC-SFHVURJKSA-N	-1	0	458.466	5.099	50	70	biogenic	JKIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@@H](c2cccc(Cl)c2F)CC(=O)O4)cc1O	ZINC000217830653	569881755	/nfs/dbraw/zinc/88/17/55/569881755.db2.gz	ATVMZFSFGHRHAP-CYBMUJFWSA-N	-1	0	482.847	5.113	50	70	biogenic	JKIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@H](c2cccc(OC(C)C)c2)CC(=O)O4)cc1O	ZINC000217927436	569882136	/nfs/dbraw/zinc/88/21/36/569882136.db2.gz	POPQUQABUXFEBG-SFHVURJKSA-N	-1	0	488.492	5.108	50	70	biogenic	JKIARM
CC(C)C[C@H](CC(=O)NCc1ccccc1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21	ZINC000217947373	569882182	/nfs/dbraw/zinc/88/21/82/569882182.db2.gz	QLZUMVHMWIJRBY-OAQYLSRUSA-N	-1	0	471.553	5.707	50	70	biogenic	JKIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1ccccc1OCCc1ccccc1	ZINC000217834914	569881819	/nfs/dbraw/zinc/88/18/19/569881819.db2.gz	RJUUFZDIJDCCIB-FQEVSTJZSA-N	-1	0	484.504	5.072	50	70	biogenic	JKIARM
CC(C)C[C@@H](CC(=O)NCc1ccccc1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21	ZINC000217947461	569882239	/nfs/dbraw/zinc/88/22/39/569882239.db2.gz	QLZUMVHMWIJRBY-NRFANRHFSA-N	-1	0	471.553	5.707	50	70	biogenic	JKIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	ZINC000218120404	569882863	/nfs/dbraw/zinc/88/28/63/569882863.db2.gz	GGGGPPZTRVLKJU-INIZCTEOSA-N	-1	0	492.568	5.751	50	70	biogenic	JKIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	ZINC000218120496	569882867	/nfs/dbraw/zinc/88/28/67/569882867.db2.gz	GGGGPPZTRVLKJU-MRXNPFEDSA-N	-1	0	492.568	5.751	50	70	biogenic	JKIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@H](c2ccc(C(C)C)cc2)CC(=O)O4)cc1O	ZINC000217627662	569880717	/nfs/dbraw/zinc/88/07/17/569880717.db2.gz	OAFHQYAQXRKAHM-SFHVURJKSA-N	-1	0	472.493	5.444	50	70	biogenic	JKIARM
CC(C)Oc1ccccc1[C@H]1CC(=O)Oc2cc([O-])c3c(=O)cc(-c4ccc(O)cc4)oc3c21	ZINC000217761220	569881458	/nfs/dbraw/zinc/88/14/58/569881458.db2.gz	MSDRTRNIKFWFIC-GOSISDBHSA-N	-1	0	458.466	5.099	50	70	biogenic	JKIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@@H](c2cccc(OC(C)C)c2)CC(=O)O4)cc1O	ZINC000217927364	569882098	/nfs/dbraw/zinc/88/20/98/569882098.db2.gz	POPQUQABUXFEBG-GOSISDBHSA-N	-1	0	488.492	5.108	50	70	biogenic	JKIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@@H](c2ccccc2OC(C)C)CC(=O)O4)cc1O	ZINC000217740830	569881361	/nfs/dbraw/zinc/88/13/61/569881361.db2.gz	SIGNMSSLSBPXKD-QGZVFWFLSA-N	-1	0	488.492	5.108	50	70	biogenic	JKIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@H](c2cccc(Cl)c2F)CC(=O)O4)cc1O	ZINC000217830732	569881742	/nfs/dbraw/zinc/88/17/42/569881742.db2.gz	ATVMZFSFGHRHAP-ZDUSSCGKSA-N	-1	0	482.847	5.113	50	70	biogenic	JKIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1ccccc1OCCc1ccccc1	ZINC000217834977	569881838	/nfs/dbraw/zinc/88/18/38/569881838.db2.gz	RJUUFZDIJDCCIB-HXUWFJFHSA-N	-1	0	484.504	5.072	50	70	biogenic	JKIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@@H](c2ccc(C(C)C)cc2)CC(=O)O4)cc1O	ZINC000217627583	569880720	/nfs/dbraw/zinc/88/07/20/569880720.db2.gz	OAFHQYAQXRKAHM-GOSISDBHSA-N	-1	0	472.493	5.444	50	70	biogenic	JKIARM
COc1ccc([C@H](CC(=O)N2CCCCC2)c2c([O-])cc(O)c3c(=O)cc(-c4ccccc4)oc32)cc1	ZINC000218008520	569882458	/nfs/dbraw/zinc/88/24/58/569882458.db2.gz	OQPRHOIBMJCLIN-QFIPXVFZSA-N	-1	0	499.563	5.414	50	70	biogenic	JKIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@H](c2ccccc2OC(C)C)CC(=O)O4)cc1O	ZINC000217740920	569881311	/nfs/dbraw/zinc/88/13/11/569881311.db2.gz	SIGNMSSLSBPXKD-KRWDZBQOSA-N	-1	0	488.492	5.108	50	70	biogenic	JKIARM