smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N[C@H]1[C@@H](O[C@@H]2[C@H](NC(=O)OCc3ccccc3)C[C@H]([NH3+])[C@H](O)[C@@H]2O)O[C@@H](C[NH3+])[C@@H](O)[C@H]1O	ZINC000040498391	563144734	/nfs/dbraw/zinc/14/47/34/563144734.db2.gz	XJXCTJBDUJBJIP-SEWPGQFVSA-N	2	3	456.496	-3.148	1	0		JAAFHP
N[C@H]1C[C@@H](NC(=O)[C@@H](O)CC[NH3+])[C@H](O)[C@@H](OC(=O)NCCC[NH3+])[C@@H]1O[C@H]1O[C@H](C[NH3+])CC[C@H]1[NH3+]	ZINC000044031636	563171545	/nfs/dbraw/zinc/17/15/45/563171545.db2.gz	NRMOIGDSGJBCPB-AYSYGFFFSA-N	4	3	491.590	-4.107	1	0		JAAFHP
N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H]([NH3+])C[C@@H]2N)O[C@H](C[NH3+])[C@@H](O)[C@@H]1OCc1ccc2ccccc2c1	ZINC000049679186	563203100	/nfs/dbraw/zinc/20/31/00/563203100.db2.gz	FBOACZNRJZBGIO-JBWIVTRYSA-N	2	3	462.547	-1.738	1	0		JAAFHP