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]1CCCC[N@H+]1CCn1c2ccccc2c2nc3ccccc3nc21	ZINC000031847965	212751908	/nfs/dbraw/zinc/75/19/08/212751908.db2.gz	WBHRJZOSTUMCQZ-INIZCTEOSA-N	1	1	344.462	4.612	1	5		EJBFMO
CC[NH+](CC)CCNc1c2[nH]c3ccccc3c2nc2ccccc21	ZINC000040584616	213354314	/nfs/dbraw/zinc/35/43/14/213354314.db2.gz	BWWJYRDFOAYKCH-UHFFFAOYSA-N	1	1	332.451	4.623	1	5	in-vitro	EJBFMO
CC[NH+](CC)CCNc1c2oc3ccccc3c2nc2ccccc21	ZINC000040584625	213355835	/nfs/dbraw/zinc/35/58/35/213355835.db2.gz	RDDIHJUUBDFFQR-UHFFFAOYSA-N	1	1	333.435	4.888	1	5		EJBFMO
COc1cc2c3ccccc3c3c(c2cc1OC)C[C@H]1CCC[N@H+]1C3	ZINC000028817928	202177516	/nfs/dbraw/zinc/17/75/16/202177516.db2.gz	MDMIGAZBGNORSH-CQSZACIVSA-N	1	1	333.431	4.531	1	5		EJBFMO
O=[N+]([O-])c1ccc(-c2[nH+]c3ccccn3c2NC2CCCCC2)cc1	ZINC000072141017	216027356	/nfs/dbraw/zinc/02/73/56/216027356.db2.gz	PWIHSXHFHAQESQ-UHFFFAOYSA-N	1	1	336.395	4.654	1	5		EJBFMO
C[N@@H+](Cc1ccccc1)Cc1cc(=O)oc2ccc3ccccc3c12	ZINC000056852067	214391952	/nfs/dbraw/zinc/39/19/52/214391952.db2.gz	VWWVEJSOAKUMOK-UHFFFAOYSA-N	1	1	329.399	4.578	3	5		EJBFMO
COc1cc2c3ccccc3c3c(c2cc1OC)C[N@H+]1CCC[C@H]1C3	ZINC000072126095	216018318	/nfs/dbraw/zinc/01/83/18/216018318.db2.gz	ZKKXXRSNZYMQSD-AWEZNQCLSA-N	1	1	333.431	4.531	1	5		EJBFMO
CCCC[N@@H+](CC)CCn1c2ccccc2c2nc3ccccc3nc21	ZINC000031847953	202210969	/nfs/dbraw/zinc/21/09/69/202210969.db2.gz	RUXKPZLFBKZBAW-UHFFFAOYSA-N	1	1	346.478	4.860	1	5		EJBFMO