smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)NCCC(=O)N1C[C@H]2C[C@@H](O)C[N@H+]2C2(CN(Cc3ccccc3O)C2)C1	ZINC000514289151	560033296	/nfs/dbraw/zinc/03/32/96/560033296.db2.gz	IRESLIHSUAXBHD-QZTJIDSGSA-N	1	2	402.495	-0.250	40	10	biogenic,in-vitro	HBCBLO
CC(=O)NCCC(=O)N1C[C@H]2C[C@@H](O)C[N@@H+]2C2(CN(Cc3ccccc3O)C2)C1	ZINC000514289151	560033295	/nfs/dbraw/zinc/03/32/95/560033295.db2.gz	IRESLIHSUAXBHD-QZTJIDSGSA-N	1	2	402.495	-0.250	40	10	biogenic,in-vitro	HBCBLO
CC(=O)NCCC(=O)N1C[C@@H]2C[C@@H](O)C[N@H+]2C2(CN(Cc3ccccc3O)C2)C1	ZINC000514289152	560033319	/nfs/dbraw/zinc/03/33/19/560033319.db2.gz	IRESLIHSUAXBHD-ZWKOTPCHSA-N	1	2	402.495	-0.250	40	10	biogenic,in-vitro	HBCBLO
CC(=O)NCCC(=O)N1C[C@@H]2C[C@@H](O)C[N@@H+]2C2(CN(Cc3ccccc3O)C2)C1	ZINC000514289152	560033318	/nfs/dbraw/zinc/03/33/18/560033318.db2.gz	IRESLIHSUAXBHD-ZWKOTPCHSA-N	1	2	402.495	-0.250	40	10	biogenic,in-vitro	HBCBLO