smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C[NH+]2CCC(c3nc(-c4ccncc4)ncc3-c3cccc(C)c3)CC2)c([O-])c1	ZINC000014953135	524025197	/nfs/dbraw/zinc/02/51/97/524025197.db2.gz	XJHNPNNTOAYHRB-UHFFFAOYSA-N	0	3	466.585	5.608	10	10		JKCEHN
Cc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)cc(-c2ccccc2)n1-c1ccc(F)cc1	ZINC000016531720	525602161	/nfs/dbraw/zinc/60/21/61/525602161.db2.gz	WJGMTNBNPAGFEH-UHFFFAOYSA-N	0	3	467.588	5.986	10	10		JKCEHN
COc1ccc(C[N@@H+]2CCC[C@H](c3nc(-c4ccncc4)ncc3-c3ccccc3C)C2)c([O-])c1	ZINC000023338341	556047131	/nfs/dbraw/zinc/04/71/31/556047131.db2.gz	QETRRYGLZNEEHC-QHCPKHFHSA-N	0	3	466.585	5.608	10	10		JKCEHN
COc1ccc(C[N@H+]2CCC[C@H](c3nc(-c4ccncc4)ncc3-c3ccccc3C)C2)c([O-])c1	ZINC000023338341	556047134	/nfs/dbraw/zinc/04/71/34/556047134.db2.gz	QETRRYGLZNEEHC-QHCPKHFHSA-N	0	3	466.585	5.608	10	10		JKCEHN
COc1ccc([O-])c(C[NH+]2CCC(c3nc(-c4ccncc4)ncc3-c3cccc(C)c3)CC2)c1	ZINC000014879648	524736885	/nfs/dbraw/zinc/73/68/85/524736885.db2.gz	JKCVBCAYQRIVSR-UHFFFAOYSA-N	0	3	466.585	5.608	10	10		JKCEHN
CC(C)(C)[NH2+]Cc1cc(Nc2ccnc3cc(Cl)ccc32)cc(-c2ccc(Cl)cc2)c1[O-]	ZINC000001585700	562921501	/nfs/dbraw/zinc/92/15/01/562921501.db2.gz	BCHMRNALCJISMZ-UHFFFAOYSA-N	0	3	466.412	7.546	10	10	in-man	JKCEHN
CCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(NC(C)=O)ccc32)c(OC)c1	ZINC000026937944	563037531	/nfs/dbraw/zinc/03/75/31/563037531.db2.gz	FTXKMHUVJHUNHC-UHFFFAOYSA-N	0	3	478.574	5.250	10	10		JKCEHN
COc1ccc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccncc4)ncc3-c3ccccc3C)C2)c([O-])c1	ZINC000023338339	556047314	/nfs/dbraw/zinc/04/73/14/556047314.db2.gz	QETRRYGLZNEEHC-HSZRJFAPSA-N	0	3	466.585	5.608	10	10		JKCEHN
COc1ccc(C[N@H+]2CCC[C@@H](c3nc(-c4ccncc4)ncc3-c3ccccc3C)C2)c([O-])c1	ZINC000023338339	556047317	/nfs/dbraw/zinc/04/73/17/556047317.db2.gz	QETRRYGLZNEEHC-HSZRJFAPSA-N	0	3	466.585	5.608	10	10		JKCEHN