smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1c2c(c(O)c3c1C(=O)c1c(O)c(C)c(O)cc1C3=O)-c1c(cc(C(=O)[O-])c(C(=O)[O-])c1O)CC2	ZINC000032011390	562036708	/nfs/dbraw/zinc/03/67/08/562036708.db2.gz	AEGSUKOOPAIVAC-UHFFFAOYSA-N	-2	2	506.419	2.763	1	10		KFCFLL
CC(=O)c1cc2c(=O)c3c(cc(O)c(O)c3C(=O)[O-])oc2c(C(C)=O)c1C1=C([O-])c2c(cc(O)c(O)c2C(=O)[O-])OC1	ZINC000044351981	562654939	/nfs/dbraw/zinc/65/49/39/562654939.db2.gz	ZDXVSCFWCXSQJJ-NSHDSACASA-N	-3	2	578.438	2.929	1	10		KFCFLL
CC(=O)c1cc2c(=O)c3c(cc(O)c(O)c3C(=O)[O-])oc2c(C(C)=O)c1C1=C(O)c2c(cc(O)c(O)c2C(=O)[O-])OC1	ZINC000044351981	562654938	/nfs/dbraw/zinc/65/49/38/562654938.db2.gz	ZDXVSCFWCXSQJJ-NSHDSACASA-N	-2	2	578.438	2.929	1	10		KFCFLL
CC(=O)c1cc2c(=O)c3c(cc(O)c(O)c3C(=O)[O-])oc2c(C(C)=O)c1C1=C([O-])c2c(cc(O)c(O)c2C(=O)[O-])OC1	ZINC000044351984	562654928	/nfs/dbraw/zinc/65/49/28/562654928.db2.gz	ZDXVSCFWCXSQJJ-LLVKDONJSA-N	-3	2	578.438	2.929	1	10		KFCFLL
CC(=O)c1cc2c(=O)c3c(cc(O)c(O)c3C(=O)[O-])oc2c(C(C)=O)c1C1=C(O)c2c(cc(O)c(O)c2C(=O)[O-])OC1	ZINC000044351984	562654927	/nfs/dbraw/zinc/65/49/27/562654927.db2.gz	ZDXVSCFWCXSQJJ-LLVKDONJSA-N	-2	2	578.438	2.929	1	10		KFCFLL