smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)[C@H]1c2cc3c(c(O)c2CC[C@]1(C)O)C(=O)c1c(O)cc2c(c1C3=O)O[C@@H]1O[C@@]2(C)[C@@H](O)[C@@H]([NH+](C)C)[C@H]1O	ZINC000004995655	552491596	/nfs/dbraw/zinc/49/15/96/552491596.db2.gz	LIUWFJINGKUEER-CGMIXKCVSA-N	1	2	569.563	0.443	40	10		KCCBLO
COC(=O)[C@H]1c2cc3c(c(O)c2CC[C@@]1(C)O)C(=O)c1c(O)cc2c(c1C3=O)O[C@@H]1O[C@@]2(C)[C@@H](O)[C@@H]([NH+](C)C)[C@H]1O	ZINC000004995656	552491603	/nfs/dbraw/zinc/49/16/03/552491603.db2.gz	LIUWFJINGKUEER-QAVMMKJUSA-N	1	2	569.563	0.443	40	10		KCCBLO
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@H]3O[C@H]1C[C@@H]([NH+]2CCOCC2)[C@@H](O)[C@@H](C)O1	ZINC000027731198	553836128	/nfs/dbraw/zinc/83/61/28/553836128.db2.gz	SXCIMUIAZXOVIR-NDAQAYMYSA-N	1	2	613.616	0.375	40	10		KCCBLO
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@H]3O[C@H]1C[C@@H]([NH+]2CCOCC2)[C@@H](O)[C@H](C)O1	ZINC000044145977	554301579	/nfs/dbraw/zinc/30/15/79/554301579.db2.gz	SXCIMUIAZXOVIR-SAEJABOZSA-N	1	2	613.616	0.375	40	10		KCCBLO
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@H]3O[C@H]1C[C@@H]([NH+]2CCOCC2)[C@H](O)[C@@H](C)O1	ZINC000044145980	554301428	/nfs/dbraw/zinc/30/14/28/554301428.db2.gz	SXCIMUIAZXOVIR-KFGCNRBQSA-N	1	2	613.616	0.375	40	10		KCCBLO
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@H]3O[C@H]1C[C@@H]([NH+]2CCOCC2)[C@H](O)[C@H](C)O1	ZINC000044145983	554301442	/nfs/dbraw/zinc/30/14/42/554301442.db2.gz	SXCIMUIAZXOVIR-DUPCWEGSSA-N	1	2	613.616	0.375	40	10		KCCBLO
CC(=O)NCCNC(=O)C[C@@H]1CCN2C[C@@H]1/C=C/COc1ccc(N3CCOCC3)cc1C[NH2+]CC2=O	ZINC000100034928	554187982	/nfs/dbraw/zinc/18/79/82/554187982.db2.gz	JEYIHUGTBWLAHI-DLRULAHXSA-N	1	2	513.639	0.669	40	10		KCCBLO
CC(=O)NCCNC(=O)C[C@@H]1CCN2C[C@@H]1C=CCOc1ccc(N3CCOCC3)cc1C[NH2+]CC2=O	ZINC000958317607	1066282067	/nfs/dbraw/zinc/28/20/67/1066282067.db2.gz	JEYIHUGTBWLAHI-VXKWHMMOSA-N	1	2	513.639	0.669	40	10		KCCBLO