smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(S[C@@H]3C[NH2+][C@H]([C@@H]4CC[N+](C)(C)O4)C3)[C@H](C)[C@H]12	ZINC000028096805	717115190	/nfs/dbraw/zinc/11/51/90/717115190.db2.gz	YDDOTECCWWFPTB-UBRSESRLSA-O	1	0	412.532	0.384	1	5		HCBFRO
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(S[C@@H]3C[NH2+][C@H]([C@H]4CC[N+](C)(C)O4)C3)[C@H](C)[C@H]12	ZINC000028096810	717115280	/nfs/dbraw/zinc/11/52/80/717115280.db2.gz	YDDOTECCWWFPTB-OELBGBBQSA-O	1	0	412.532	0.384	1	5		HCBFRO
CC[N+](C)(C)[C@H]1[C@@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000103176821	717146235	/nfs/dbraw/zinc/14/62/35/717146235.db2.gz	PNLPDUZMWORPBC-ZKXLYKBJSA-N	1	0	404.436	0.166	1	5		HCBFRO
CC[N+](C)(C)[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1OC(C)=O	ZINC000103176823	717145997	/nfs/dbraw/zinc/14/59/97/717145997.db2.gz	PNLPDUZMWORPBC-DUQPFJRNSA-N	1	0	404.436	0.166	1	5		HCBFRO
CC(=O)O[C@@]1(C)C(=O)OCC2=CC[N+]3(C)CC[C@@H](OC(=O)[C@@]4(C[C@H]1C)O[C@@H]4C)[C@@]23O	ZINC000238745112	717162058	/nfs/dbraw/zinc/16/20/58/717162058.db2.gz	DEWGUCXQMWUQDZ-KHVDYDSHSA-N	1	0	424.470	0.439	1	5		HCBFRO