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@]12C(=O)[C@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H](c1ccccc1)C2[N+](=O)[O-]	ZINC000005217093	560540287	/nfs/dbraw/zinc/54/02/87/560540287.db2.gz	NRHODLQXJWGMRZ-PTJMHOJZSA-N	0	1	409.485	5.635	40	5		HKBBMN
C[C@]12C(=O)[C@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H](c1ccccc1)C2[N+](=O)[O-]	ZINC000005217094	560540252	/nfs/dbraw/zinc/54/02/52/560540252.db2.gz	NRHODLQXJWGMRZ-ATJLQDCWSA-N	0	1	409.485	5.635	40	5		HKBBMN
COc1cccc(-c2nc(-c3cc([N+](=O)[O-])ccc3OC)c(-c3ccccc3)[nH]2)c1	ZINC000006283015	569037278	/nfs/dbraw/zinc/03/72/78/569037278.db2.gz	NPHWVCCUJZHRKD-UHFFFAOYSA-N	0	1	401.422	5.336	40	5		HKBBMN
O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Br)cc3)c(-c3ccccc3)[nH]2)cc1	ZINC000006446723	557702903	/nfs/dbraw/zinc/70/29/03/557702903.db2.gz	OJPLBEONSQUWJW-UHFFFAOYSA-N	0	1	420.266	6.081	40	5		HKBBMN
COc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccccc2[N+](=O)[O-])[nH]c1-c1ccccc1	ZINC000009010229	569391134	/nfs/dbraw/zinc/39/11/34/569391134.db2.gz	FLHXFIKCIBYHPZ-UHFFFAOYSA-N	0	1	416.393	5.236	40	5		HKBBMN
O=C(Nc1ccccc1)c1cc(Sc2ccc([N+](=O)[O-])cc2)c2ccccc2c1O	ZINC000016489735	569055573	/nfs/dbraw/zinc/05/55/73/569055573.db2.gz	SGOIADBDWBYXGU-UHFFFAOYSA-N	0	1	416.458	5.857	40	5		HKBBMN
COc1cc([N+](=O)[O-])c([C@@H]2N[C@@H](C)Cc3c4cc(F)c(Cl)cc4[nH]c32)cc1Cl	ZINC000261507198	558835775	/nfs/dbraw/zinc/83/57/75/558835775.db2.gz	GKLVJGQIEHUUDF-RLBGWGEZSA-N	0	1	424.259	5.154	40	5		HKBBMN
COc1cc([N+](=O)[O-])c([C@H]2N[C@@H](C)Cc3c4cc(F)c(Cl)cc4[nH]c32)cc1Cl	ZINC000261507199	558835727	/nfs/dbraw/zinc/83/57/27/558835727.db2.gz	GKLVJGQIEHUUDF-WPCRTTGESA-N	0	1	424.259	5.154	40	5		HKBBMN
CC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccc(Cl)cc2Cl)n[nH]1	ZINC000408583115	558516586	/nfs/dbraw/zinc/51/65/86/558516586.db2.gz	RRQHVSCZDCLNRA-UHFFFAOYSA-N	0	1	409.254	5.041	40	5		HKBBMN