smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cc(Cl)cc(/C=N/NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1[O-]	ZINC000003273026	194258951	/nfs/dbraw/zinc/25/89/51/194258951.db2.gz	XROCZERGBSEKJR-RGVLZGJSSA-N	-1	0	499.958	2.295	10	30		JEEERM
CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000020351053	555779975	/nfs/dbraw/zinc/77/99/75/555779975.db2.gz	IRBCUSYAIJAGSZ-MENVHETRSA-N	-1	0	474.466	2.485	10	30		JEEERM
C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(=O)CCC(=O)[O-])(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12	ZINC000031290910	556395463	/nfs/dbraw/zinc/39/54/63/556395463.db2.gz	VDJNUHGXSJAWMH-XYMSELFBSA-N	-1	0	474.550	2.219	10	30	in-vitro	JEEERM
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)[O-]	ZINC000038339140	569801396	/nfs/dbraw/zinc/80/13/96/569801396.db2.gz	NSUOIXNBPZQTLB-JINKDHKVSA-N	-1	0	472.534	2.428	10	30		JEEERM