smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2)[C@@H](O)OC(C)(C)C)C1	ZINC001220505828	1067353917	/nfs/dbraw/zinc/35/39/17/1067353917.db2.gz	IQYLRZOXZSOHAL-ALIZKRINSA-N	2	1	480.628	-1.011	20	30		JAEDMP
C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2)[C@@H](O)OC(C)(C)C)C1	ZINC001220505829	1067354008	/nfs/dbraw/zinc/35/40/08/1067354008.db2.gz	IQYLRZOXZSOHAL-HKJNTEPFSA-N	2	1	480.628	-1.011	20	30		JAEDMP
C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2)[C@H](O)OC(C)(C)C)C1	ZINC001220505830	1067354528	/nfs/dbraw/zinc/35/45/28/1067354528.db2.gz	IQYLRZOXZSOHAL-LKQWPBITSA-N	2	1	480.628	-1.011	20	30		JAEDMP
C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2)[C@H](O)OC(C)(C)C)C1	ZINC001220505831	1067354232	/nfs/dbraw/zinc/35/42/32/1067354232.db2.gz	IQYLRZOXZSOHAL-SWGPFQRASA-N	2	1	480.628	-1.011	20	30		JAEDMP