smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)C[C@H](c1ccc(C)o1)c1c(=O)[nH][n-]c1Cc1ccc2c(c1)CCC(C)(C)O2	ZINC000218372943	568479430	/nfs/dbraw/zinc/47/94/30/568479430.db2.gz	HDZDYHZGSGAOFQ-QGZVFWFLSA-N	-1	1	424.497	3.994	50	70		HHIAMM
COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@@H](c2ccco2)CC(=O)O4)cc1O	ZINC000217787041	569050827	/nfs/dbraw/zinc/05/08/27/569050827.db2.gz	HJCGXQIVMSHGHN-GFCCVEGCSA-N	-1	1	420.373	3.914	50	70	biogenic	HHIAMM
COC(=O)C[C@@H](c1ccco1)c1c(=O)[nH][n-]c1Cc1ccc2c(c1)CCC(C)(C)O2	ZINC000218332112	568478616	/nfs/dbraw/zinc/47/86/16/568478616.db2.gz	HUOBCSJBEJDDJB-INIZCTEOSA-N	-1	1	410.470	3.685	50	70		HHIAMM
O=c1cc2c(c3oc(-c4ccc(O)cc4)cc([O-])c1-3)[C@H](c1cccnc1)CC(=O)O2	ZINC000217775252	568911450	/nfs/dbraw/zinc/91/14/50/568911450.db2.gz	GKWWLJDLKXSZOK-HNNXBMFYSA-N	-1	1	401.374	3.707	50	70	biogenic	HHIAMM
O=c1cc2c(c3oc(-c4ccc(O)cc4)cc([O-])c1-3)[C@@H](c1cccnc1)CC(=O)O2	ZINC000217775349	568911402	/nfs/dbraw/zinc/91/14/02/568911402.db2.gz	GKWWLJDLKXSZOK-OAHLLOKOSA-N	-1	1	401.374	3.707	50	70	biogenic	HHIAMM
COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@H](c2ccco2)CC(=O)O4)cc1O	ZINC000217787136	568912167	/nfs/dbraw/zinc/91/21/67/568912167.db2.gz	HJCGXQIVMSHGHN-LBPRGKRZSA-N	-1	1	420.373	3.914	50	70	biogenic	HHIAMM
O=c1cc2c(c3oc(-c4ccc(O)cc4)cc([O-])c1-3)[C@@H](c1ccncc1)CC(=O)O2	ZINC000217792656	568912902	/nfs/dbraw/zinc/91/29/02/568912902.db2.gz	MOZOYUICOMWHHK-OAHLLOKOSA-N	-1	1	401.374	3.707	50	70	biogenic	HHIAMM
O=c1cc2c(c3oc(-c4ccc(O)cc4)cc([O-])c1-3)[C@H](c1ccncc1)CC(=O)O2	ZINC000217792565	568912827	/nfs/dbraw/zinc/91/28/27/568912827.db2.gz	MOZOYUICOMWHHK-HNNXBMFYSA-N	-1	1	401.374	3.707	50	70	biogenic	HHIAMM
COC(=O)C[C@H](c1ccco1)c1c(=O)[nH][n-]c1Cc1ccc2c(c1)CCC(C)(C)O2	ZINC000218332037	568478624	/nfs/dbraw/zinc/47/86/24/568478624.db2.gz	HUOBCSJBEJDDJB-MRXNPFEDSA-N	-1	1	410.470	3.685	50	70		HHIAMM
COC(=O)C[C@@H](c1ccc(C)o1)c1c(=O)[nH][n-]c1Cc1ccc2c(c1)CCC(C)(C)O2	ZINC000218373014	568479348	/nfs/dbraw/zinc/47/93/48/568479348.db2.gz	HDZDYHZGSGAOFQ-KRWDZBQOSA-N	-1	1	424.497	3.994	50	70		HHIAMM