smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CO[C@@H]1C[C@](C)(O)Cc2cc3c(c(O)c21)C(=O)c1c(O)cc2c(c1C3=O)O[C@@H]1O[C@@]2(C)[C@H](O)[C@@H](N(C)C)[C@@H]1O	ZINC000004216845	561694504	/nfs/dbraw/zinc/69/45/04/561694504.db2.gz	LWYJUZBXGAFFLP-OCNCTQISSA-N	0	0	541.553	0.874	10	10	in-man	KCCERN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)[O-])C[C@@H]3O[C@H]1C[C@@H]([NH3+])[C@H](O)[C@@H](C)O1	ZINC000005351511	552498351	/nfs/dbraw/zinc/49/83/51/552498351.db2.gz	UOZJSBYGENSCDJ-XDFXLESUSA-N	0	0	529.498	0.525	10	10	in-vitro	KCCERN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)[O-])C[C@@H]3O[C@H]1C[C@@H]([NH3+])[C@H](O)[C@H](C)O1	ZINC000005351514	552498348	/nfs/dbraw/zinc/49/83/48/552498348.db2.gz	UOZJSBYGENSCDJ-KIWFQHPYSA-N	0	0	529.498	0.525	10	10	in-vitro	KCCERN
COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](OC(=O)/C=C(\C)C(C)C)C(=O)O[C@@H]3C[C@H]1[C@H](C)C(=O)C(=O)C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O	ZINC000008214509	552984548	/nfs/dbraw/zinc/98/45/48/552984548.db2.gz	KMCZIPGKKBSLEX-ZGTYDIBKSA-N	0	0	548.585	0.526	10	10		KCCERN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)[O-])C[C@@H]3O[C@H]1C[C@H]([NH3+])[C@H](O)[C@H](C)O1	ZINC000064499541	562705992	/nfs/dbraw/zinc/70/59/92/562705992.db2.gz	UOZJSBYGENSCDJ-FHRHSTJFSA-N	0	0	529.498	0.525	10	10		KCCERN
COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](OC(=O)/C=C(\C)C(C)C)C(=O)O[C@@H]3C[C@H]1[C@@H](C)C(=O)C(=O)C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O	ZINC000169727081	571559679	/nfs/dbraw/zinc/55/96/79/571559679.db2.gz	KMCZIPGKKBSLEX-AOHBHZTBSA-N	0	0	548.585	0.526	10	10		KCCERN