smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc2c(nc(N[NH+]=Cc3ccc(N4CCOCC4)cc3)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000016400381	527560331	/nfs/dbraw/zinc/56/03/31/527560331.db2.gz	HTVGVXNFAHFXCZ-PZXWRFTPSA-N	1	2	486.489	-1.404	40	30		JAEBLO
Nc1nc2c(nc(N[NH+]=Cc3ccc(N4CCOCC4)cc3)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000016400384	527559232	/nfs/dbraw/zinc/55/92/32/527559232.db2.gz	HTVGVXNFAHFXCZ-PSAMNDEPSA-N	1	2	486.489	-1.404	40	30		JAEBLO
Nc1nc2c(nc(N[NH+]=Cc3ccc(N4CCOCC4)cc3)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000016400387	556137804	/nfs/dbraw/zinc/13/78/04/556137804.db2.gz	HTVGVXNFAHFXCZ-DXBNJBIYSA-N	1	2	486.489	-1.404	40	30		JAEBLO
Nc1nc2c(nc(N[NH+]=Cc3ccc(N4CCOCC4)cc3)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000035183230	569677773	/nfs/dbraw/zinc/67/77/73/569677773.db2.gz	HTVGVXNFAHFXCZ-NOCIYMNASA-N	1	2	486.489	-1.404	40	30		JAEBLO
Nc1nc2c(nc(N[NH+]=Cc3ccc(N4CCOCC4)cc3)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000035183231	569677807	/nfs/dbraw/zinc/67/78/07/569677807.db2.gz	HTVGVXNFAHFXCZ-UWTSOJARSA-N	1	2	486.489	-1.404	40	30		JAEBLO