smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cccc(-c2nc(-c3cccs3)c(-c3ccccc3)[nH]2)c1	ZINC000000524311	564020943	/nfs/dbraw/zinc/02/09/43/564020943.db2.gz	SAEXAGLOSRZIEY-UHFFFAOYSA-N	0	1	347.399	5.380	50	5	aggregator	EKBAMN
Cc1ccc(Sc2ccc(CN3CCCCC3)cc2[N+](=O)[O-])cc1	ZINC000001406217	564064940	/nfs/dbraw/zinc/06/49/40/564064940.db2.gz	DMCGEDUQPQSKBS-UHFFFAOYSA-N	0	1	342.464	5.040	50	5		EKBAMN
O=[N+]([O-])c1ccccc1-c1nc(-c2cccs2)c(-c2ccccc2)[nH]1	ZINC000003899822	210087770	/nfs/dbraw/zinc/08/77/70/210087770.db2.gz	CXOHZVNJKLSGAE-UHFFFAOYSA-N	0	1	347.399	5.380	50	5		EKBAMN
O=[N+]([O-])c1ccccc1Nc1nc(-c2ccc(Cl)cc2)cs1	ZINC000005065216	210381725	/nfs/dbraw/zinc/38/17/25/210381725.db2.gz	OQPIQDWBPBATSH-UHFFFAOYSA-N	0	1	331.784	5.115	50	5		EKBAMN
O=c1oc2ccc3ccccc3c2cc1-c1nc2ccc(Cl)cc2[nH]1	ZINC000005125729	210394805	/nfs/dbraw/zinc/39/48/05/210394805.db2.gz	LTABNDFPZDIKAC-UHFFFAOYSA-N	0	1	346.773	5.143	50	5		EKBAMN
O=[N+]([O-])c1ccc(-c2nc(-c3cccs3)c(-c3ccccc3)[nH]2)cc1	ZINC000005729077	564024046	/nfs/dbraw/zinc/02/40/46/564024046.db2.gz	KACWDVXKKYFVLQ-UHFFFAOYSA-N	0	1	347.399	5.380	50	5		EKBAMN
Cc1[nH]c2c3ccccc3ccc2c(=O)c1CN(C)Cc1ccccc1	ZINC000008700868	564166402	/nfs/dbraw/zinc/16/64/02/564166402.db2.gz	JPDXDJSFWSONRM-UHFFFAOYSA-N	0	1	342.442	5.034	50	5		EKBAMN
Cc1ccc(C(c2ccc(C)s2)c2cc([N+](=O)[O-])ccc2O)s1	ZINC000020828153	202056209	/nfs/dbraw/zinc/05/62/09/202056209.db2.gz	JIUZYBHAEDZYKX-UHFFFAOYSA-N	0	1	345.445	5.220	50	5		EKBAMN
C[C@@H](NC(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000025447788	564054366	/nfs/dbraw/zinc/05/43/66/564054366.db2.gz	VBDANTQAQZRFQG-MRXNPFEDSA-N	0	1	332.403	5.035	50	5		EKBAMN
C[C@H](NC(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000025447792	564054396	/nfs/dbraw/zinc/05/43/96/564054396.db2.gz	VBDANTQAQZRFQG-INIZCTEOSA-N	0	1	332.403	5.035	50	5		EKBAMN
O=[N+]([O-])c1ccc(O)c(/C=C/c2c3ccccc3nc3ccccc23)c1	ZINC000036020470	213056737	/nfs/dbraw/zinc/05/67/37/213056737.db2.gz	VFMKHLFAYKOSTF-PKNBQFBNSA-N	0	1	342.354	5.172	50	5		EKBAMN
Cc1ccc([C@@H](C)NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)o1	ZINC000058142829	564157776	/nfs/dbraw/zinc/15/77/76/564157776.db2.gz	FWZZLNKSUYYNSD-CYBMUJFWSA-N	0	1	342.420	5.076	50	5		EKBAMN
Cc1ccc([C@H](C)NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)o1	ZINC000058142838	564157797	/nfs/dbraw/zinc/15/77/97/564157797.db2.gz	FWZZLNKSUYYNSD-ZDUSSCGKSA-N	0	1	342.420	5.076	50	5		EKBAMN