smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCO[C@]1(c2ccc(O)c(O)c2)Oc2cc([O-])cc(O)c2C(=O)[C@]1(O)CC(C)=O	ZINC000101409691	559146842	/nfs/dbraw/zinc/14/68/42/559146842.db2.gz	MKRMEFNBLYQLBI-WOJBJXKFSA-N	-1	1	404.371	1.684	10	10		HDCEMM
CCO[C@@]1(c2ccc(O)c(O)c2)Oc2cc([O-])cc(O)c2C(=O)[C@@]1(O)CC(C)=O	ZINC000101409687	559146836	/nfs/dbraw/zinc/14/68/36/559146836.db2.gz	MKRMEFNBLYQLBI-PMACEKPBSA-N	-1	1	404.371	1.684	10	10		HDCEMM
CC[C@@]1(O)CC(=O)c2c([O-])c3c(cc2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O	ZINC000004654749	560199028	/nfs/dbraw/zinc/19/90/28/560199028.db2.gz	MHAXMIHGEZOCTQ-HTAPYJJXSA-N	-1	1	410.378	1.857	10	10	in-vitro	HDCEMM
COc1ccc(N2CCN(C(=O)CSc3nc4c(c(=O)[n-]3)CCC4)CC2)cc1	ZINC000004858520	132290757	/nfs/dbraw/zinc/29/07/57/132290757.db2.gz	UVNYIUMIQNIFPL-UHFFFAOYSA-N	-1	1	400.504	1.708	10	10		HDCEMM
CCO[C@]1(c2ccc(O)c(O)c2)Oc2cc([O-])cc(O)c2C(=O)[C@@]1(O)CC(C)=O	ZINC000101409688	559146838	/nfs/dbraw/zinc/14/68/38/559146838.db2.gz	MKRMEFNBLYQLBI-VQTJNVASSA-N	-1	1	404.371	1.684	10	10		HDCEMM
CCO[C@@]1(c2ccc(O)c(O)c2)Oc2cc([O-])cc(O)c2C(=O)[C@]1(O)CC(C)=O	ZINC000101409689	559146846	/nfs/dbraw/zinc/14/68/46/559146846.db2.gz	MKRMEFNBLYQLBI-UXHICEINSA-N	-1	1	404.371	1.684	10	10		HDCEMM