smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2c(cc1CN(C)C)[nH]c1c2cnc2cc(Cl)ccc12	ZINC000001582295	563394336	/nfs/dbraw/zinc/39/43/36/563394336.db2.gz	WZQGNFFKNNTZGM-UHFFFAOYSA-N	0	1	339.826	4.593	40	5		EJBBMN
Cc1cc(-c2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)ccc1[N+](=O)[O-]	ZINC000040169739	564045767	/nfs/dbraw/zinc/04/57/67/564045767.db2.gz	MJRCGQPSONWMEH-UHFFFAOYSA-N	0	1	336.395	4.653	40	5		EJBBMN
COc1ccc(-c2ccc(-c3nc4ccc(C)cc4[nH]3)o2)c([N+](=O)[O-])c1	ZINC000085345472	564116046	/nfs/dbraw/zinc/11/60/46/564116046.db2.gz	QAUFAXWUCHDACN-UHFFFAOYSA-N	0	1	349.346	4.715	40	5		EJBBMN
COc1cc([N+](=O)[O-])ccc1-c1ccc(-c2nc3ccc(C)cc3[nH]2)o1	ZINC000085345447	564116066	/nfs/dbraw/zinc/11/60/66/564116066.db2.gz	SHKQIIVYIUHODG-UHFFFAOYSA-N	0	1	349.346	4.715	40	5		EJBBMN
COc1ccc(-c2ccc(-c3nc4ccc(C)cc4[nH]3)o2)cc1[N+](=O)[O-]	ZINC000085345528	564116108	/nfs/dbraw/zinc/11/61/08/564116108.db2.gz	YREKQSLJCGTXIM-UHFFFAOYSA-N	0	1	349.346	4.715	40	5		EJBBMN
COc1ccc([N+](=O)[O-])cc1-c1ccc(-c2nc3ccc(C)cc3[nH]2)o1	ZINC000085345506	564116113	/nfs/dbraw/zinc/11/61/13/564116113.db2.gz	XZNHXLWVZLYFKH-UHFFFAOYSA-N	0	1	349.346	4.715	40	5		EJBBMN