smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc([C@H](N)c2ccc(I)cc2)cc([N+](=O)[O-])c1	ZINC000040177395	205061400	/nfs/dbraw/zinc/06/14/00/205061400.db2.gz	QLGKIOHNNOSQKG-CQSZACIVSA-N	0	3	368.174	3.556	10	5		FHBEHN
CN(C)C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1	ZINC000043342695	205102401	/nfs/dbraw/zinc/10/24/01/205102401.db2.gz	VTFOHRDQTWDLQR-MRXNPFEDSA-N	0	3	362.817	3.673	10	5		FHBEHN
COc1cc2c(cc1OC)[C@@H](CCc1ccc([N+](=O)[O-])cc1)N(C)CC2	ZINC000001999636	204023203	/nfs/dbraw/zinc/02/32/03/204023203.db2.gz	AWDKLHCXDUACLM-GOSISDBHSA-N	0	3	356.422	3.774	10	5		FHBEHN
CN(C)CCN1C(=O)c2c(Cl)ccc3cc4ccccc4c(c32)C1=O	ZINC000027558158	204863564	/nfs/dbraw/zinc/86/35/64/204863564.db2.gz	NNUJEKLXNGFWFO-UHFFFAOYSA-N	0	3	352.821	3.804	10	5		FHBEHN
Cc1cc([C@H](N)c2cccc(I)c2)cc([N+](=O)[O-])c1	ZINC000040177146	208242404	/nfs/dbraw/zinc/24/24/04/208242404.db2.gz	NIKWGNLMFQKPOI-CQSZACIVSA-N	0	3	368.174	3.556	10	5		FHBEHN
COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccccc2C)c([N+](=O)[O-])c1	ZINC000159415133	568293260	/nfs/dbraw/zinc/29/32/60/568293260.db2.gz	GJINBCQYXHQZGX-KBPBESRZSA-N	0	3	357.410	3.590	10	5		FHBEHN
Cc1cc([C@@H](N)c2ccc(I)cc2)cc([N+](=O)[O-])c1	ZINC000040177396	208241822	/nfs/dbraw/zinc/24/18/22/208241822.db2.gz	QLGKIOHNNOSQKG-AWEZNQCLSA-N	0	3	368.174	3.556	10	5		FHBEHN
Cc1ccc([N+](=O)[O-])cc1[C@H](N)c1cccc(I)c1	ZINC000040177397	208242325	/nfs/dbraw/zinc/24/23/25/208242325.db2.gz	QXEPWNCUBFOJEV-CQSZACIVSA-N	0	3	368.174	3.556	10	5		FHBEHN
COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccccc2C)c([N+](=O)[O-])c1	ZINC000159415007	568290372	/nfs/dbraw/zinc/29/03/72/568290372.db2.gz	GJINBCQYXHQZGX-KGLIPLIRSA-N	0	3	357.410	3.590	10	5		FHBEHN
O=[N+]([O-])C1CN(Cc2ccccc2)C[C@H]1c1ccc(Br)cc1	ZINC000165120204	568082250	/nfs/dbraw/zinc/08/22/50/568082250.db2.gz	IILNFOQIYDOAQA-DLBZAZTESA-N	0	3	361.239	3.694	10	5		FHBEHN
COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccccc2C)c([N+](=O)[O-])c1	ZINC000159415279	568273020	/nfs/dbraw/zinc/27/30/20/568273020.db2.gz	GJINBCQYXHQZGX-ZIAGYGMSSA-N	0	3	357.410	3.590	10	5		FHBEHN
COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccccc2C)c([N+](=O)[O-])c1	ZINC000159415429	568273147	/nfs/dbraw/zinc/27/31/47/568273147.db2.gz	GJINBCQYXHQZGX-UONOGXRCSA-N	0	3	357.410	3.590	10	5		FHBEHN
O=[N+]([O-])C1CN(Cc2ccccc2)C[C@@H]1c1ccc(Br)cc1	ZINC000165119573	570802314	/nfs/dbraw/zinc/80/23/14/570802314.db2.gz	IILNFOQIYDOAQA-SJORKVTESA-N	0	3	361.239	3.694	10	5		FHBEHN
O=[N+]([O-])C1CN(Cc2ccccc2)C[C@@H]1c1ccc(Br)cc1	ZINC000165119843	570802373	/nfs/dbraw/zinc/80/23/73/570802373.db2.gz	IILNFOQIYDOAQA-IAGOWNOFSA-N	0	3	361.239	3.694	10	5		FHBEHN
O=[N+]([O-])C1CN(Cc2ccccc2)C[C@H]1c1ccc(Br)cc1	ZINC000299805311	534878631	/nfs/dbraw/zinc/87/86/31/534878631.db2.gz	IILNFOQIYDOAQA-IRXDYDNUSA-N	0	3	361.239	3.694	10	5		FHBEHN