smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1C[C@@H](NC(=O)[C@H]([NH3+])CCCC[NH3+])[C@@H](O)[C@@H](C)O1	ZINC000150397882	571477028	/nfs/dbraw/zinc/47/70/28/571477028.db2.gz	PSVZSDIPPDLFSW-UQZPZTPLSA-N	2	0	655.701	0.643	40	10		KCCBRP
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1C[C@@H](NC(=O)[C@H]([NH3+])CCCC[NH3+])[C@@H](O)[C@H](C)O1	ZINC000150397885	571476999	/nfs/dbraw/zinc/47/69/99/571476999.db2.gz	PSVZSDIPPDLFSW-RNWMPHGPSA-N	2	0	655.701	0.643	40	10		KCCBRP
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1C[C@@H](NC(=O)[C@H]([NH3+])CCCC[NH3+])[C@H](O)[C@@H](C)O1	ZINC000150397888	571477059	/nfs/dbraw/zinc/47/70/59/571477059.db2.gz	PSVZSDIPPDLFSW-KPRWYNMVSA-N	2	0	655.701	0.643	40	10		KCCBRP
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1C[C@@H](NC(=O)[C@H]([NH3+])CCCC[NH3+])[C@H](O)[C@H](C)O1	ZINC000150397891	571477070	/nfs/dbraw/zinc/47/70/70/571477070.db2.gz	PSVZSDIPPDLFSW-CGXLIGRNSA-N	2	0	655.701	0.643	40	10		KCCBRP