smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N[C@@H](CCC[NH3+])c1cc(F)ccc1[N+](=O)[O-]	ZINC000575438878	387119194	/nfs/dbraw/zinc/11/91/94/387119194.db2.gz	NZCKHIZFGLNZDC-VIFPVBQESA-N	1	3	227.239	1.473	10	5		BDBEHO
N[C@H](CCC[NH3+])c1cc([N+](=O)[O-])ccc1Cl	ZINC000575438514	387131212	/nfs/dbraw/zinc/13/12/12/387131212.db2.gz	KETWEKDJAJBHLO-SNVBAGLBSA-N	1	3	243.694	1.987	10	5		BDBEHO
CN1CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000037655378	173116058	/nfs/dbraw/zinc/11/60/58/173116058.db2.gz	RUYMVAGRKYXMDH-LBPRGKRZSA-N	1	3	249.314	1.636	10	5		BDBEHO
N[C@H](CCC[NH3+])c1ccc(F)cc1[N+](=O)[O-]	ZINC000575438182	387103869	/nfs/dbraw/zinc/10/38/69/387103869.db2.gz	DSCNFJNEVGCSJO-SECBINFHSA-N	1	3	227.239	1.473	10	5		BDBEHO
N[C@@H](CCC[NH3+])c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000575437844	387111353	/nfs/dbraw/zinc/11/13/53/387111353.db2.gz	AOFMECAMQFKMKP-VIFPVBQESA-N	1	3	243.694	1.987	10	5		BDBEHO
N[C@H](CCCC[NH3+])c1ccccc1[N+](=O)[O-]	ZINC000575438783	387118586	/nfs/dbraw/zinc/11/85/86/387118586.db2.gz	KKDGTCBEJIIFDE-SNVBAGLBSA-N	1	3	223.276	1.724	10	5		BDBEHO
N[C@@H](CCCC[NH3+])c1ccccc1[N+](=O)[O-]	ZINC000575438415	387128952	/nfs/dbraw/zinc/12/89/52/387128952.db2.gz	KKDGTCBEJIIFDE-JTQLQIEISA-N	1	3	223.276	1.724	10	5		BDBEHO
N[C@H](CCC[NH3+])c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000575438019	387112342	/nfs/dbraw/zinc/11/23/42/387112342.db2.gz	AOFMECAMQFKMKP-SECBINFHSA-N	1	3	243.694	1.987	10	5		BDBEHO
N[C@@H](CCC[NH3+])c1ccc(F)cc1[N+](=O)[O-]	ZINC000575438185	387105139	/nfs/dbraw/zinc/10/51/39/387105139.db2.gz	DSCNFJNEVGCSJO-VIFPVBQESA-N	1	3	227.239	1.473	10	5		BDBEHO
N[C@H](CCC[NH3+])c1cc(F)ccc1[N+](=O)[O-]	ZINC000575438970	387122013	/nfs/dbraw/zinc/12/20/13/387122013.db2.gz	NZCKHIZFGLNZDC-SECBINFHSA-N	1	3	227.239	1.473	10	5		BDBEHO
N[C@@H](CCC[NH3+])c1cc([N+](=O)[O-])ccc1F	ZINC000575439785	388630339	/nfs/dbraw/zinc/63/03/39/388630339.db2.gz	YHBGUIVRDXWSOA-JTQLQIEISA-N	1	3	227.239	1.473	10	5		BDBEHO
CN1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000037655377	173147528	/nfs/dbraw/zinc/14/75/28/173147528.db2.gz	RUYMVAGRKYXMDH-GFCCVEGCSA-N	1	3	249.314	1.636	10	5		BDBEHO
N[C@@H](CCC[NH3+])c1cc([N+](=O)[O-])ccc1Cl	ZINC000575438515	387131494	/nfs/dbraw/zinc/13/14/94/387131494.db2.gz	KETWEKDJAJBHLO-JTQLQIEISA-N	1	3	243.694	1.987	10	5		BDBEHO
N[C@H](CCC[NH3+])c1cc([N+](=O)[O-])ccc1F	ZINC000575440270	387128107	/nfs/dbraw/zinc/12/81/07/387128107.db2.gz	YHBGUIVRDXWSOA-SNVBAGLBSA-N	1	3	227.239	1.473	10	5		BDBEHO