smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1c(=O)c2c([O-])cc([O-])c(C/C=C(\C)CCC=C(C)C)c2oc1-c1ccc(O)c(O)c1	ZINC000207881934	569874776	/nfs/dbraw/zinc/87/47/76/569874776.db2.gz	AHZUPZUDBQBABD-OVCLIPMQSA-N	-2	1	452.503	5.526	10	10		JKCEML
COc1c(=O)c2c([O-])c(CC=C(C)C)c([O-])c(CC=C(C)C)c2oc1-c1ccc(O)c(O)c1	ZINC000014727561	521773468	/nfs/dbraw/zinc/77/34/68/521773468.db2.gz	WKVKAWWZXXTJEH-UHFFFAOYSA-N	-2	1	452.503	5.308	10	10	biogenic,in-vitro	JKCEML
CCCCCC(=O)Cc1cc(O)c([O-])c2c1C(=O)Oc1cc(O)c(C(=O)[O-])c(CCCCC)c1O2	ZINC000014654306	555837237	/nfs/dbraw/zinc/83/72/37/555837237.db2.gz	BQHHNAPTXQOPBW-UHFFFAOYSA-N	-2	1	486.517	5.251	10	10		JKCEML
CC(C)=CCc1c(=O)cc([O-])c2c(O)c3c(CC=C(C)C)c(CC=C(C)C)c([O-])c(O)c3oc1-2	ZINC000014763947	519443557	/nfs/dbraw/zinc/44/35/57/519443557.db2.gz	HAHRYXGQWSJKPI-UHFFFAOYSA-N	-2	1	464.558	6.295	10	10	biogenic,in-vitro	JKCEML