smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc2nc([N-]c3nc4c(cc([N+](=O)[O-])cc4C)s3)oc2c1	ZINC000057352707	564153640	/nfs/dbraw/zinc/15/36/40/564153640.db2.gz	ONOFEOVBIFYMIA-UHFFFAOYSA-N	-1	0	340.364	4.706	40	5		EJBBRM
O=[N+]([O-])c1ccc2nc([N-]c3nc4ccccc4s3)sc2c1	ZINC000003850522	210080000	/nfs/dbraw/zinc/08/00/00/210080000.db2.gz	RUQCXGRGYAIAMI-UHFFFAOYSA-N	-1	0	328.378	4.558	40	5		EJBBRM
Cc1cc2sc([N-]c3nc4cccc(C)c4o3)nc2c([N+](=O)[O-])c1	ZINC000057352612	201138859	/nfs/dbraw/zinc/13/88/59/201138859.db2.gz	PAFCFYITFNHDKU-UHFFFAOYSA-N	-1	0	340.364	4.706	40	5		EJBBRM
Cc1ccc2nc([N-]c3nc4ccc([N+](=O)[O-])cc4s3)oc2c1C	ZINC000057352633	201140719	/nfs/dbraw/zinc/14/07/19/201140719.db2.gz	HTGXXSMWDPIRLD-UHFFFAOYSA-N	-1	0	340.364	4.706	40	5		EJBBRM
Cc1cc([N+](=O)[O-])cc2sc([N-]c3nc4ccccc4s3)nc21	ZINC000057352467	564153624	/nfs/dbraw/zinc/15/36/24/564153624.db2.gz	OBPQKFNLKIJNAA-UHFFFAOYSA-N	-1	0	342.405	4.866	40	5		EJBBRM
Cc1cc2nc([N-]c3nc4ccc([N+](=O)[O-])cc4s3)oc2cc1C	ZINC000057352634	564153644	/nfs/dbraw/zinc/15/36/44/564153644.db2.gz	RFEFWUJTCNKUEE-UHFFFAOYSA-N	-1	0	340.364	4.706	40	5		EJBBRM
CN(C)c1ccc(-c2cc(C(=O)[O-])c3cc4ccccc4cc3n2)cc1	ZINC000001735401	563408624	/nfs/dbraw/zinc/40/86/24/563408624.db2.gz	PAGKFVUYSRSZOC-UHFFFAOYSA-N	-1	0	342.398	4.819	40	5		EJBBRM
O=C([O-])/C(=C\c1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1	ZINC000006220876	564083002	/nfs/dbraw/zinc/08/30/02/564083002.db2.gz	ONWHZVNTCORAPY-GHXNOFRVSA-N	-1	0	338.146	4.527	40	5		EJBBRM
Cc1cc2nc([N-]c3nc4ccc([N+](=O)[O-])cc4s3)oc2c(C)c1	ZINC000057352630	201138433	/nfs/dbraw/zinc/13/84/33/201138433.db2.gz	RFCNIJCGILSNMC-UHFFFAOYSA-N	-1	0	340.364	4.706	40	5		EJBBRM
Cc1cccc2nc([N-]c3nc4c(cc([N+](=O)[O-])cc4C)s3)oc21	ZINC000057352706	564153626	/nfs/dbraw/zinc/15/36/26/564153626.db2.gz	MMZWHTZXEPBCEZ-UHFFFAOYSA-N	-1	0	340.364	4.706	40	5		EJBBRM
Cc1ccc2oc([N-]c3nc4c(cc([N+](=O)[O-])cc4C)s3)nc2c1	ZINC000057352708	564153641	/nfs/dbraw/zinc/15/36/41/564153641.db2.gz	MWCYAUSMIJFEEY-UHFFFAOYSA-N	-1	0	340.364	4.706	40	5		EJBBRM
O=C([O-])c1ccc([N+](=O)[O-])cc1N(c1ccccc1)c1ccccc1	ZINC000001602792	564081719	/nfs/dbraw/zinc/08/17/19/564081719.db2.gz	WEPIXDOFTJZQIB-UHFFFAOYSA-N	-1	0	334.331	4.763	40	5		EJBBRM
O=C([O-])/C(=C\c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl	ZINC000006222213	564083036	/nfs/dbraw/zinc/08/30/36/564083036.db2.gz	WWIJYIOLTWLVBB-GHXNOFRVSA-N	-1	0	338.146	4.527	40	5		EJBBRM
Cc1cc2sc([N-]c3nc4ccccc4s3)nc2c([N+](=O)[O-])c1	ZINC000057352474	564153617	/nfs/dbraw/zinc/15/36/17/564153617.db2.gz	YIQHLAPODRKWOU-UHFFFAOYSA-N	-1	0	342.405	4.866	40	5		EJBBRM
O=[N+]([O-])c1ccc2nc([N-]c3nc4cc(Cl)ccc4o3)sc2c1	ZINC000057352642	564153647	/nfs/dbraw/zinc/15/36/47/564153647.db2.gz	MCEPRHYWWREQAG-UHFFFAOYSA-N	-1	0	346.755	4.743	40	5		EJBBRM
CCc1ccc2oc([N-]c3nc4ccc([N+](=O)[O-])cc4s3)nc2c1	ZINC000057352637	214421512	/nfs/dbraw/zinc/42/15/12/214421512.db2.gz	XNKADEFIQYBKJE-UHFFFAOYSA-N	-1	0	340.364	4.652	40	5		EJBBRM
Cc1ccc2oc([N-]c3nc4c(cc(C)cc4[N+](=O)[O-])s3)nc2c1	ZINC000057352616	201138524	/nfs/dbraw/zinc/13/85/24/201138524.db2.gz	AFLFMOOWYQLBFG-UHFFFAOYSA-N	-1	0	340.364	4.706	40	5		EJBBRM
O=C([O-])/C(=C\c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl	ZINC000006221045	564083043	/nfs/dbraw/zinc/08/30/43/564083043.db2.gz	FNMBCRZEKUTCPK-QPEQYQDCSA-N	-1	0	338.146	4.527	40	5		EJBBRM
Cc1ccc2nc([N-]c3nc4c(cc(C)cc4[N+](=O)[O-])s3)oc2c1	ZINC000057352614	214421902	/nfs/dbraw/zinc/42/19/02/214421902.db2.gz	ISSNGHDYFARSHU-UHFFFAOYSA-N	-1	0	340.364	4.706	40	5		EJBBRM
O=C([O-])c1cc(-c2ccccc2[N+](=O)[O-])nc2ccc3ccccc3c21	ZINC000003068108	201556223	/nfs/dbraw/zinc/55/62/23/201556223.db2.gz	IBCORTIFDMYQGF-UHFFFAOYSA-N	-1	0	344.326	4.661	40	5		EJBBRM
CCO/C(=C\c1c2ccccc2cc2ccccc21)c1n[n-]c(=N)s1	ZINC000408718547	257891313	/nfs/dbraw/zinc/89/13/13/257891313.db2.gz	XCCVHUWEEZIQCX-PDGQHHTCSA-N	-1	0	347.443	4.792	40	5		EJBBRM