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=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)c(Br)c1	ZINC000016215246	539629271	/nfs/dbraw/zinc/62/92/71/539629271.db2.gz	LDZKBNIJGGPJNB-HWKANZROSA-N	-2	1	368.143	2.325	40	5		FEBBML
CCc1nc(SC(=Cc2cc([N+](=O)[O-])cc(OC)c2[O-])C(=O)[O-])n[nH]1	ZINC000408632288	558688429	/nfs/dbraw/zinc/68/84/29/558688429.db2.gz	PRHRTXMYIUXKTI-BJMVGYQFSA-N	-2	1	366.355	2.207	40	5		FEBBML
CCc1nnc(S/C(=C/c2cc([N+](=O)[O-])cc(OC)c2[O-])C(=O)[O-])o1	ZINC000408630877	558688501	/nfs/dbraw/zinc/68/85/01/558688501.db2.gz	DLLBERGCYWEUTM-BJMVGYQFSA-N	-2	1	367.339	2.472	40	5		FEBBML
O=c1[n-]c(C=Cc2cc(Br)ccc2O)nc([O-])c1[N+](=O)[O-]	ZINC000019119077	211201583	/nfs/dbraw/zinc/20/15/83/211201583.db2.gz	BHJYAMDLERHIDN-DAFODLJHSA-N	-2	1	354.116	2.022	40	5		FEBBML
COc1ccc(Br)cc1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[n-]1	ZINC000016226476	220180869	/nfs/dbraw/zinc/18/08/69/220180869.db2.gz	JRAQNNISMJYKJL-GORDUTHDSA-N	-2	1	368.143	2.325	40	5		FEBBML
COc1ccc(Br)cc1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[n-]1	ZINC000033593722	539975237	/nfs/dbraw/zinc/97/52/37/539975237.db2.gz	JRAQNNISMJYKJL-DJWKRKHSSA-N	-2	1	368.143	2.325	40	5		FEBBML
COc1cc([N+](=O)[O-])cc(/C=C(/Sc2nnc(C)o2)C(=O)[O-])c1[O-]	ZINC000408632099	558688259	/nfs/dbraw/zinc/68/82/59/558688259.db2.gz	VCCKTRKWYMTCBG-ONNFQVAWSA-N	-2	1	353.312	2.218	40	5		FEBBML
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1	ZINC000005132818	539403496	/nfs/dbraw/zinc/40/34/96/539403496.db2.gz	VLASMIDYFLQVSO-UHFFFAOYSA-N	-2	1	350.352	2.413	40	5		FEBBML
COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1Br	ZINC000033461937	539974796	/nfs/dbraw/zinc/97/47/96/539974796.db2.gz	VJXGMZRCLDQNHU-HYXAFXHYSA-N	-2	1	368.143	2.325	40	5		FEBBML