smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H]1C[N@H+](Cc2ccc(OC)cc2O)CC[C@H]1CC(=O)NCC[NH+]1CCOCC1	ZINC000020503974	560093565	/nfs/dbraw/zinc/09/35/65/560093565.db2.gz	JUTUWLWQIPWKTJ-OALUTQOASA-N	2	2	419.566	2.087	40	10	biogenic,in-vitro	HECBLP
CC[C@H]1C[N@@H+](Cc2ccc(OC)cc2O)CC[C@H]1CC(=O)NCC[NH+]1CCOCC1	ZINC000020503974	560093567	/nfs/dbraw/zinc/09/35/67/560093567.db2.gz	JUTUWLWQIPWKTJ-OALUTQOASA-N	2	2	419.566	2.087	40	10	biogenic,in-vitro	HECBLP
C[NH+]1CCN(c2ccc(CNC(=O)c3cccc(C[NH+]4CCOCC4)c3)cc2)CC1	ZINC000219249817	568488460	/nfs/dbraw/zinc/48/84/60/568488460.db2.gz	YSLATACYVOKKKY-UHFFFAOYSA-N	2	2	408.546	2.201	40	10		HECBLP
Oc1ccccc1C[NH2+][C@@H]1[C@H]2CO[C@H](O2)[C@H]([NH+]2CCC(Cc3ccccc3)CC2)[C@H]1O	ZINC000012483452	291213922	/nfs/dbraw/zinc/21/39/22/291213922.db2.gz	LWPDHSDVCAQSQH-UUFXTFJOSA-N	2	2	424.541	2.290	40	10	biogenic,in-vitro	HECBLP