smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[NH3+])C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000015721431	555955950	/nfs/dbraw/zinc/95/59/50/555955950.db2.gz	YVHCULPWZYVJEK-IHRRRGAJSA-N	1	1	465.515	-2.781	10	0		JAAEMO
CC(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)[N@@H+](C(C)C)C3)[C@H](O)[C@@H]2O	ZINC000096129470	569736255	/nfs/dbraw/zinc/73/62/55/569736255.db2.gz	LWUITXACLGJRFQ-QMFSJDNRSA-N	1	1	468.551	-2.077	10	0		JAAEMO
CC(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)[N@H+](C(C)C)C3)[C@H](O)[C@@H]2O	ZINC000096129470	569736253	/nfs/dbraw/zinc/73/62/53/569736253.db2.gz	LWUITXACLGJRFQ-QMFSJDNRSA-N	1	1	468.551	-2.077	10	0		JAAEMO
CC(=O)N1CCN2C[C@H]1C(=O)NC[C@H]1O[C@@H](CC(=O)N[C@H]3C[C@@H](C2=O)[N@@H+](C(C)C)C3)[C@H](O)[C@@H]1O	ZINC000108316751	569859459	/nfs/dbraw/zinc/85/94/59/569859459.db2.gz	KPXUFYIZEQLXGY-SHUFMVBLSA-N	1	1	481.550	-2.978	10	0		JAAEMO
CC(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)[N@H+](C1CCCC1)C3)[C@H](O)[C@@H]2O	ZINC000108317614	569859496	/nfs/dbraw/zinc/85/94/96/569859496.db2.gz	IKUUSBKYEUFZOX-NYWUXBNHSA-N	1	1	494.589	-1.543	10	0		JAAEMO