smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS[C@@H]1C(C(=O)c2ccccc2Cl)=C(CC(=O)[O-])C(=O)N1C[C@H]1CCCO1	ZINC000062716385	569388576	/nfs/dbraw/zinc/38/85/76/569388576.db2.gz	SGLCAHQIGTXFLP-NSPYISDASA-N	-1	2	409.891	3.004	40	30		HGEBLM
CS[C@H]1C(C(=O)c2ccccc2Cl)=C(CC(=O)[O-])C(=O)N1C[C@@H]1CCCO1	ZINC000062716384	569388571	/nfs/dbraw/zinc/38/85/71/569388571.db2.gz	SGLCAHQIGTXFLP-WLRWDXFRSA-N	-1	2	409.891	3.004	40	30		HGEBLM
CCc1nnc(C2=C(O)C(=Cc3ccc(OCCC(=O)[O-])cc3)SC2=N)s1	ZINC000033776065	569362507	/nfs/dbraw/zinc/36/25/07/569362507.db2.gz	MJZPBEFJAUFLMJ-OQCDZFIHSA-N	-1	2	403.485	3.372	40	30		HGEBLM
[O-]C(c1cc(C(O)(C(F)(F)F)C(F)(F)F)ncn1)(C(F)(F)F)C(F)(F)F	ZINC000073332911	558986327	/nfs/dbraw/zinc/98/63/27/558986327.db2.gz	ODRVSUSJFCGJMW-UHFFFAOYSA-N	-1	2	412.130	3.101	40	30		HGEBLM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1	ZINC000002379880	560559802	/nfs/dbraw/zinc/55/98/02/560559802.db2.gz	LQJSRURSNIMAIV-VCHYOVAHSA-N	-1	2	404.429	3.308	40	30		HGEBLM
CS[C@H]1C(C(=O)c2ccccc2Cl)=C(CC(=O)[O-])C(=O)N1C[C@H]1CCCO1	ZINC000062716386	569388605	/nfs/dbraw/zinc/38/86/05/569388605.db2.gz	SGLCAHQIGTXFLP-WYRIXSBYSA-N	-1	2	409.891	3.004	40	30		HGEBLM
CS[C@@H]1C(C(=O)c2ccccc2Cl)=C(CC(=O)[O-])C(=O)N1C[C@@H]1CCCO1	ZINC000062716383	569388565	/nfs/dbraw/zinc/38/85/65/569388565.db2.gz	SGLCAHQIGTXFLP-JEOXALJRSA-N	-1	2	409.891	3.004	40	30		HGEBLM