smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)c1cc(Nc2cccc([O-])c2)c([N+](=O)[O-])c2nonc21	ZINC000005035140	201634775	/nfs/dbraw/zinc/63/47/75/201634775.db2.gz	FHSNUQVZQRHUDP-UHFFFAOYSA-N	-1	3	343.343	3.426	50	5		EGBAHM
O=C([N-]c1nnc(Cc2ccccc2)s1)c1cccc([N+](=O)[O-])c1	ZINC000000616902	201491032	/nfs/dbraw/zinc/49/10/32/201491032.db2.gz	MNTFPGHLMOOBND-UHFFFAOYSA-N	-1	3	340.364	3.289	50	5		EGBAHM
CCn1c(Sc2ncccc2[N+](=O)[O-])nnc1-c1ccccc1[O-]	ZINC000004998475	452830219	/nfs/dbraw/zinc/83/02/19/452830219.db2.gz	MTWNYQTVHXSBFN-UHFFFAOYSA-N	-1	3	343.368	3.125	50	5		EGBAHM
COc1cccc([N-]c2c([N+](=O)[O-])cc([N+](=O)[O-])c(C)c2[N+](=O)[O-])c1	ZINC000102094495	274148617	/nfs/dbraw/zinc/14/86/17/274148617.db2.gz	IIEQJEAYHKZMRJ-UHFFFAOYSA-N	-1	3	348.271	3.472	50	5		EGBAHM
COc1cc2nc([N-]C(=O)c3ccc([N+](=O)[O-])o3)sc2cc1OC	ZINC000004479905	452803838	/nfs/dbraw/zinc/80/38/38/452803838.db2.gz	PCJNDLYLDFBCKE-UHFFFAOYSA-N	-1	3	349.324	3.067	50	5		EGBAHM
Cc1ccc(-c2csc([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])n2)c(C)c1	ZINC000005641472	452892458	/nfs/dbraw/zinc/89/24/58/452892458.db2.gz	DLLIYQRDPCLPQU-UHFFFAOYSA-N	-1	3	343.368	3.311	50	5		EGBAHM
O=C([N-]c1nc(-c2cccs2)ns1)c1cccc([N+](=O)[O-])c1	ZINC000011914329	453337398	/nfs/dbraw/zinc/33/73/98/453337398.db2.gz	LQMJUHUYMHVDNX-UHFFFAOYSA-N	-1	3	332.366	3.427	50	5		EGBAHM
O=C1c2cccc3c2c(ccc3[N+](=O)[O-])C(=O)N1c1ccc([O-])cc1	ZINC000000191695	285018143	/nfs/dbraw/zinc/01/81/43/285018143.db2.gz	PFYZFEVHUABGSS-UHFFFAOYSA-N	-1	3	334.287	3.254	50	5		EGBAHM
O=C([N-]c1nnc(CC2CCCC2)s1)c1cccc([N+](=O)[O-])c1	ZINC000002789356	452724035	/nfs/dbraw/zinc/72/40/35/452724035.db2.gz	FBKFRLALGIPTLW-UHFFFAOYSA-N	-1	3	332.385	3.431	50	5		EGBAHM
Cc1cccc(Cl)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000015636079	453580978	/nfs/dbraw/zinc/58/09/78/453580978.db2.gz	PGMXZKVAIMJASU-UHFFFAOYSA-N	-1	3	326.761	3.357	50	5		EGBAHM
CC(=O)c1cccc([N-]c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c1	ZINC000104241534	219364324	/nfs/dbraw/zinc/36/43/24/219364324.db2.gz	XYZYWVPCIUFMRN-UHFFFAOYSA-N	-1	3	346.255	3.357	50	5		EGBAHM
Cc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)c([O-])c1	ZINC000000456390	452597714	/nfs/dbraw/zinc/59/77/14/452597714.db2.gz	IGTPYMIAAMCBNK-UHFFFAOYSA-N	-1	3	345.380	3.044	50	5		EGBAHM
O=C([N-]c1nnc(-c2cccc([N+](=O)[O-])c2)s1)c1cccs1	ZINC000004070428	210111233	/nfs/dbraw/zinc/11/12/33/210111233.db2.gz	NFTCSDWZMOHWGN-UHFFFAOYSA-N	-1	3	332.366	3.427	50	5		EGBAHM
COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000000168280	452525228	/nfs/dbraw/zinc/52/52/28/452525228.db2.gz	RQEDROVKDSSXIB-UHFFFAOYSA-N	-1	3	342.760	3.058	50	5		EGBAHM
O=C([N-]c1nsc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1	ZINC000000127487	452515261	/nfs/dbraw/zinc/51/52/61/452515261.db2.gz	NNBXDAPCMCAKHU-UHFFFAOYSA-N	-1	3	326.337	3.366	50	5		EGBAHM
O=C([N-]c1nnc(Cc2ccccc2)s1)c1ccccc1[N+](=O)[O-]	ZINC000005942115	452912813	/nfs/dbraw/zinc/91/28/13/452912813.db2.gz	MKHZTWKOGRZCGO-UHFFFAOYSA-N	-1	3	340.364	3.289	50	5		EGBAHM
CCOc1ccc2nc([N-]C(=O)c3ccc([N+](=O)[O-])o3)sc2c1	ZINC000000090794	452504813	/nfs/dbraw/zinc/50/48/13/452504813.db2.gz	HXKDQDBDXUTJIM-UHFFFAOYSA-N	-1	3	333.325	3.449	50	5		EGBAHM
CC(C)CCNc1nc(N)c([N+](=O)[O-])c([N-]c2ccccc2F)n1	ZINC000004305915	210165230	/nfs/dbraw/zinc/16/52/30/210165230.db2.gz	IZIMMDABFYUVNS-UHFFFAOYSA-N	-1	3	334.355	3.308	50	5		EGBAHM
COc1ccc(OC)c2sc([N-]C(=O)c3ccc([N+](=O)[O-])o3)nc21	ZINC000004264319	210156050	/nfs/dbraw/zinc/15/60/50/210156050.db2.gz	HMKRBXSLMBZFBK-UHFFFAOYSA-N	-1	3	349.324	3.067	50	5		EGBAHM
O=C(CCc1ccccc1)NC(=S)[N-]c1ccccc1[N+](=O)[O-]	ZINC000005078108	210385198	/nfs/dbraw/zinc/38/51/98/210385198.db2.gz	CBIMBZLLSIPKJL-UHFFFAOYSA-N	-1	3	329.381	3.041	50	5		EGBAHM
O=C1c2cccc3cc([N+](=O)[O-])cc(c32)C(=O)N1c1cccc([O-])c1	ZINC000000344988	285018205	/nfs/dbraw/zinc/01/82/05/285018205.db2.gz	PTQJTJQVBUZFJG-UHFFFAOYSA-N	-1	3	334.287	3.254	50	5		EGBAHM
COc1cc([N+](=O)[O-])cc2cc(-c3nc4ccccc4[n-]3)c(=O)oc21	ZINC000008017416	277839851	/nfs/dbraw/zinc/83/98/51/277839851.db2.gz	GTLYNYKHGQIKJU-UHFFFAOYSA-N	-1	3	337.291	3.253	50	5		EGBAHM
COC(=O)c1sccc1[N-]C(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000000168338	452525746	/nfs/dbraw/zinc/52/57/46/452525746.db2.gz	UHTVMFLVMLODPT-UHFFFAOYSA-N	-1	3	340.744	3.349	50	5		EGBAHM
Cn1ncc2c1nc1c3ccc([O-])cc3oc1c2-c1ccc[nH]c1=O	ZINC000253623983	455855438	/nfs/dbraw/zinc/85/54/38/455855438.db2.gz	XSINZUDCJCRLND-UHFFFAOYSA-N	-1	3	332.319	3.341	50	5	biogenic	EGBAHM
O=C(NC(=S)[N-]c1ccc(Cl)cc1[N+](=O)[O-])c1cccs1	ZINC000012137179	211301836	/nfs/dbraw/zinc/30/18/36/211301836.db2.gz	UANZSEFWTOREOK-UHFFFAOYSA-N	-1	3	341.801	3.437	50	5		EGBAHM
CC(C)(C)c1ccc(-c2nn3c(=O)nc4ccccc4c3[n-]c2=O)cc1	ZINC000071924195	454259024	/nfs/dbraw/zinc/25/90/24/454259024.db2.gz	ZVYCEWRDFMUFMT-UHFFFAOYSA-N	-1	3	346.390	3.308	50	5		EGBAHM
O=[N+]([O-])c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1	ZINC000004551663	452808320	/nfs/dbraw/zinc/80/83/20/452808320.db2.gz	SRTJLGKTMSYZCN-UHFFFAOYSA-N	-1	3	330.724	3.188	50	5		EGBAHM
CCOc1ccc([N-]C(=S)NC(=O)c2ccccc2)c([N+](=O)[O-])c1	ZINC000004982274	210347763	/nfs/dbraw/zinc/34/77/63/210347763.db2.gz	YUMRLRIIIKXOEY-UHFFFAOYSA-N	-1	3	345.380	3.120	50	5		EGBAHM
Cc1cc(C)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c(C)c1	ZINC000000304392	452559463	/nfs/dbraw/zinc/55/94/63/452559463.db2.gz	AFOFFADWXUVTTL-UHFFFAOYSA-N	-1	3	338.360	3.460	50	5		EGBAHM
COc1cccc2c([O-])c3c(=O)cc(O[C@@H](C)C(C)=O)cc-3oc12	ZINC000008488466	453209504	/nfs/dbraw/zinc/20/95/04/453209504.db2.gz	WFDOBTGMMVTVRH-JTQLQIEISA-N	-1	3	328.320	3.017	50	5	biogenic	EGBAHM
COc1cccc2c(=O)c3c([O-])cc(O[C@@H](C)C(C)=O)cc3oc12	ZINC000008488466	453209511	/nfs/dbraw/zinc/20/95/11/453209511.db2.gz	WFDOBTGMMVTVRH-JTQLQIEISA-N	-1	3	328.320	3.017	50	5	biogenic	EGBAHM
O=C([N-]c1nnc(-c2ccccc2)s1)c1ccc([N+](=O)[O-])cc1	ZINC000018323843	453650345	/nfs/dbraw/zinc/65/03/45/453650345.db2.gz	NNHSCFJNMAXIII-UHFFFAOYSA-N	-1	3	326.337	3.366	50	5		EGBAHM
CCc1ccc(-c2nn3c([n-]c2=O)c2ccccc2nc3=S)cc1	ZINC000071924199	454259328	/nfs/dbraw/zinc/25/93/28/454259328.db2.gz	KEZJXAYFSBXTLE-UHFFFAOYSA-N	-1	3	334.404	3.156	50	5		EGBAHM
CC(=O)Nc1ccc2nc([N-]C(=O)c3ccc([N+](=O)[O-])o3)sc2c1	ZINC000002862335	452730754	/nfs/dbraw/zinc/73/07/54/452730754.db2.gz	XHRQWZDFHJPZSQ-UHFFFAOYSA-N	-1	3	346.324	3.008	50	5		EGBAHM
Cc1cc(OC(=O)c2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c(=O)[n-]1	ZINC000004248341	210151777	/nfs/dbraw/zinc/15/17/77/210151777.db2.gz	NSXLIEUDHCRWKF-UHFFFAOYSA-N	-1	3	330.340	3.108	50	5		EGBAHM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1	ZINC000002877665	452732365	/nfs/dbraw/zinc/73/23/65/452732365.db2.gz	WMTZMCCITZQXPR-UHFFFAOYSA-N	-1	3	340.788	3.499	50	5		EGBAHM
O=C(NC(=S)[N-]c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1	ZINC000004622085	210233098	/nfs/dbraw/zinc/23/30/98/210233098.db2.gz	BSHQAWCSPMFADB-UHFFFAOYSA-N	-1	3	335.772	3.375	50	5		EGBAHM
Nc1nc(N2CCCCCC2)nc([N-]c2ccccc2F)c1[N+](=O)[O-]	ZINC000004305919	210165188	/nfs/dbraw/zinc/16/51/88/210165188.db2.gz	JSMCAAZIQRBUMQ-UHFFFAOYSA-N	-1	3	346.366	3.230	50	5		EGBAHM
O=C([N-]c1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccs1	ZINC000004713871	284440187	/nfs/dbraw/zinc/44/01/87/284440187.db2.gz	PSHGSSHMITUQQH-UHFFFAOYSA-N	-1	3	332.366	3.427	50	5		EGBAHM
Cc1cc([N-]C(=S)NC(=O)c2ccccc2)c([N+](=O)[O-])cc1C	ZINC000004954353	210338986	/nfs/dbraw/zinc/33/89/86/210338986.db2.gz	KQDLGHGVKLJNPV-UHFFFAOYSA-N	-1	3	329.381	3.338	50	5		EGBAHM
O=c1[nH]c(=S)[n-]c2nc3c4ccccc4c4ccccc4c3nc12	ZINC000039268182	453943192	/nfs/dbraw/zinc/94/31/92/453943192.db2.gz	MRLDGQXEPZQWPA-UHFFFAOYSA-N	-1	3	330.372	3.461	50	5		EGBAHM
COC(=O)c1sccc1[N-]C(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000000376413	209558786	/nfs/dbraw/zinc/55/87/86/209558786.db2.gz	RGTJVYNRLTUYIY-UHFFFAOYSA-N	-1	3	340.744	3.349	50	5		EGBAHM
O=C(/C=C/c1ccc(F)cc1)NC(=S)[N-]c1ccccc1[N+](=O)[O-]	ZINC000004889172	210313267	/nfs/dbraw/zinc/31/32/67/210313267.db2.gz	YTMVVXSAUUYUCC-JXMROGBWSA-N	-1	3	345.355	3.260	50	5		EGBAHM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl	ZINC000004828561	210290652	/nfs/dbraw/zinc/29/06/52/210290652.db2.gz	GIISSAJFEIKCKG-UHFFFAOYSA-N	-1	3	330.724	3.188	50	5		EGBAHM
CC(C)c1ccc(C=Cc2[n-]c3ncnn3c(=O)c2[N+](=O)[O-])cc1	ZINC000008843033	273561428	/nfs/dbraw/zinc/56/14/28/273561428.db2.gz	AQMGGAPQASORGK-VMPITWQZSA-N	-1	3	325.328	3.032	50	5		EGBAHM
O=C([N-]c1nc2c(cc(F)cc2F)s1)c1ccc([N+](=O)[O-])o1	ZINC000003165753	452746914	/nfs/dbraw/zinc/74/69/14/452746914.db2.gz	AEEGWCAEVFYZNJ-UHFFFAOYSA-N	-1	3	325.252	3.328	50	5		EGBAHM
CC(C)c1ccc(C=Cc2[n-]c3nncn3c(=O)c2[N+](=O)[O-])cc1	ZINC000008843017	211009266	/nfs/dbraw/zinc/00/92/66/211009266.db2.gz	TZWBHLBOAKNVQN-VMPITWQZSA-N	-1	3	325.328	3.032	50	5		EGBAHM
CCSc1nnc([N-]C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1	ZINC000002023425	452683452	/nfs/dbraw/zinc/68/34/52/452683452.db2.gz	DKEQNKSSKAPODR-UHFFFAOYSA-N	-1	3	344.805	3.464	50	5		EGBAHM
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C1CCCCCC1	ZINC000002512880	452702539	/nfs/dbraw/zinc/70/25/39/452702539.db2.gz	XJJCIOFYQVZWAG-UHFFFAOYSA-N	-1	3	332.809	3.249	50	5		EGBAHM
Cc1nnc([N-]C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)s1	ZINC000002707001	452716684	/nfs/dbraw/zinc/71/66/84/452716684.db2.gz	WWVRQYYILVYPRU-UHFFFAOYSA-N	-1	3	330.325	3.267	50	5		EGBAHM
Cc1cc(C)c2c(=O)[n-]c(SCc3ccc([N+](=O)[O-])cc3)nc2n1	ZINC000013126783	453446294	/nfs/dbraw/zinc/44/62/94/453446294.db2.gz	ZYKOTKAPHCABST-UHFFFAOYSA-N	-1	3	342.380	3.135	50	5		EGBAHM
COc1ccc([N-]C(=O)c2ccc(Br)o2)c([N+](=O)[O-])c1	ZINC000003897749	210087728	/nfs/dbraw/zinc/08/77/28/210087728.db2.gz	NEIPZTCCTCESOE-UHFFFAOYSA-N	-1	3	341.117	3.211	50	5		EGBAHM
O=C([N-]c1ccc(Br)cc1F)c1ccc([N+](=O)[O-])o1	ZINC000001190289	452647577	/nfs/dbraw/zinc/64/75/77/452647577.db2.gz	YPHMHHUUATXCOH-UHFFFAOYSA-N	-1	3	329.081	3.342	50	5		EGBAHM
O=C(NC(=S)[N-]c1ccccc1[N+](=O)[O-])c1cc2ccccc2o1	ZINC000004090548	452793515	/nfs/dbraw/zinc/79/35/15/452793515.db2.gz	JAOGIVKOFKGCMM-UHFFFAOYSA-N	-1	3	341.348	3.468	50	5		EGBAHM
COc1ccc(C)cc1[N-]c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000104230416	219363224	/nfs/dbraw/zinc/36/32/24/219363224.db2.gz	STJDKMMTUQGUMO-UHFFFAOYSA-N	-1	3	348.271	3.472	50	5		EGBAHM
O=[N+]([O-])c1ccc([N-]c2nc(Cl)nc(NCc3ccco3)n2)cc1	ZINC000004181576	210141206	/nfs/dbraw/zinc/14/12/06/210141206.db2.gz	KJGFDRAARZAFLU-UHFFFAOYSA-N	-1	3	346.734	3.382	50	5		EGBAHM
O=C([N-]c1nc(-c2ccncc2)cs1)c1ccc([N+](=O)[O-])s1	ZINC000004063463	210111487	/nfs/dbraw/zinc/11/14/87/210111487.db2.gz	UDSGLWSTVPGWLG-UHFFFAOYSA-N	-1	3	332.366	3.427	50	5		EGBAHM
Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000000168333	452525060	/nfs/dbraw/zinc/52/50/60/452525060.db2.gz	WWQNQHVHEOFCEA-UHFFFAOYSA-N	-1	3	326.761	3.357	50	5		EGBAHM
Cc1ccc(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c([O-])c1	ZINC000000456488	452597359	/nfs/dbraw/zinc/59/73/59/452597359.db2.gz	JSOAXRGPXRRGIL-UHFFFAOYSA-N	-1	3	345.380	3.044	50	5		EGBAHM
Cc1cccc(C(=O)[N-]c2nnc(C(F)(F)F)s2)c1[N+](=O)[O-]	ZINC000000464671	452600713	/nfs/dbraw/zinc/60/07/13/452600713.db2.gz	KAWSFTPDAAKOMJ-UHFFFAOYSA-N	-1	3	332.263	3.026	50	5		EGBAHM
O=C([N-]c1cc(NC(=O)c2ccco2)ccc1[N+](=O)[O-])c1ccco1	ZINC000004997414	210353598	/nfs/dbraw/zinc/35/35/98/210353598.db2.gz	DXSUWHCPIITTCM-UHFFFAOYSA-N	-1	3	341.279	3.285	50	5		EGBAHM
COc1c2c(cc3c(=O)c4c(O)ccc([O-])c4oc31)CCC(C)(C)O2	ZINC000096023753	286189623	/nfs/dbraw/zinc/18/96/23/286189623.db2.gz	AWSPLWUUTQJIOF-UHFFFAOYSA-N	-1	3	342.347	3.470	50	5	biogenic	EGBAHM
CCOc1ccc(C(=O)NC(=S)[N-]c2ccccc2[N+](=O)[O-])cc1	ZINC000007039532	453022436	/nfs/dbraw/zinc/02/24/36/453022436.db2.gz	CEXHGSVBOVNVSQ-UHFFFAOYSA-N	-1	3	345.380	3.120	50	5		EGBAHM
Cc1[nH]nc(-c2ccc(O)cc2[O-])c1Oc1ccc([N+](=O)[O-])cc1	ZINC000005359536	452863133	/nfs/dbraw/zinc/86/31/33/452863133.db2.gz	YDWJRXCQPCQXKY-UHFFFAOYSA-N	-1	3	327.296	3.497	50	5		EGBAHM
O=c1oc2ccccc2cc1-c1nnc(-c2cccc([N+](=O)[O-])c2)[n-]1	ZINC000006557808	452954893	/nfs/dbraw/zinc/95/48/93/452954893.db2.gz	TVUXCFDUZQORSQ-UHFFFAOYSA-N	-1	3	334.291	3.153	50	5		EGBAHM
O=c1oc2ccccc2cc1-c1nc(-c2cccc([N+](=O)[O-])c2)n[n-]1	ZINC000006557808	452954902	/nfs/dbraw/zinc/95/49/02/452954902.db2.gz	TVUXCFDUZQORSQ-UHFFFAOYSA-N	-1	3	334.291	3.153	50	5		EGBAHM
O=c1oc2ccccc2cc1-c1n[n-]c(-c2cccc([N+](=O)[O-])c2)n1	ZINC000006557808	452954908	/nfs/dbraw/zinc/95/49/08/452954908.db2.gz	TVUXCFDUZQORSQ-UHFFFAOYSA-N	-1	3	334.291	3.153	50	5		EGBAHM
COc1ccc(C(=O)[N-]c2nnc(C(C)(C)C)s2)cc1[N+](=O)[O-]	ZINC000000302639	452558986	/nfs/dbraw/zinc/55/89/86/452558986.db2.gz	MRMMGXSJATWUHL-UHFFFAOYSA-N	-1	3	336.373	3.005	50	5		EGBAHM
Cc1ccc(O)c([N-]c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c1	ZINC000104234949	219362989	/nfs/dbraw/zinc/36/29/89/219362989.db2.gz	SJRNONMOJUGDNQ-UHFFFAOYSA-N	-1	3	334.244	3.169	50	5		EGBAHM
O=C(Cc1ccc(Cl)cc1)NC(=S)[N-]c1ccccc1[N+](=O)[O-]	ZINC000004086390	452792912	/nfs/dbraw/zinc/79/29/12/452792912.db2.gz	UBBRWYADVCYHPS-UHFFFAOYSA-N	-1	3	349.799	3.304	50	5		EGBAHM
O=C([N-]c1ccc2nn(-c3ccccc3)nc2c1)c1ccc([N+](=O)[O-])o1	ZINC000000259793	452549809	/nfs/dbraw/zinc/54/98/09/452549809.db2.gz	HPQPEFRXVROTEF-UHFFFAOYSA-N	-1	3	349.306	3.174	50	5		EGBAHM
Cc1ccc(-c2cc(C(=O)[N-]c3ncc([N+](=O)[O-])s3)no2)cc1F	ZINC000011916884	453337167	/nfs/dbraw/zinc/33/71/67/453337167.db2.gz	VCPPVPNFZXGTOT-UHFFFAOYSA-N	-1	3	348.315	3.406	50	5		EGBAHM
Nc1nc(NCc2ccco2)nc([N-]c2ccccc2F)c1[N+](=O)[O-]	ZINC000005053867	201636957	/nfs/dbraw/zinc/63/69/57/201636957.db2.gz	QMVGAKVQNVVUEU-UHFFFAOYSA-N	-1	3	344.306	3.055	50	5		EGBAHM
Cc1cc([N-]C(=S)NC(=O)c2cccs2)c([N+](=O)[O-])cc1C	ZINC000004819114	452819999	/nfs/dbraw/zinc/81/99/99/452819999.db2.gz	IECCNWVDUAXZQR-UHFFFAOYSA-N	-1	3	335.410	3.400	50	5		EGBAHM
Cc1cc(OC(=O)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c(=O)[n-]1	ZINC000004248369	210151308	/nfs/dbraw/zinc/15/13/08/210151308.db2.gz	LNLSUTAFRVZWNI-UHFFFAOYSA-N	-1	3	343.122	3.118	50	5		EGBAHM
O=C([N-]c1nc2cc3c(cc2s1)OCO3)c1ccc([N+](=O)[O-])s1	ZINC000004348390	452799432	/nfs/dbraw/zinc/79/94/32/452799432.db2.gz	SVEZKVDFWHQGBD-UHFFFAOYSA-N	-1	3	349.349	3.247	50	5		EGBAHM
Cc1cc(C)[n-]c(=NNc2cc(Cl)c([N+](=O)[O-])cc2[N+](=O)[O-])n1	ZINC000004904126	452826146	/nfs/dbraw/zinc/82/61/46/452826146.db2.gz	FYJPHEZFLYBXBS-UHFFFAOYSA-N	-1	3	338.711	3.002	50	5		EGBAHM
C[C@H]1CCCN(c2nc(N)c([N+](=O)[O-])c([N-]c3ccccc3F)n2)C1	ZINC000005215562	452848564	/nfs/dbraw/zinc/84/85/64/452848564.db2.gz	RDUDSRAENRJKHZ-JTQLQIEISA-N	-1	3	346.366	3.086	50	5		EGBAHM
CCOC(=O)c1ccsc1[N-]C(=O)c1ccc([N+](=O)[O-])s1	ZINC000004275705	210158681	/nfs/dbraw/zinc/15/86/81/210158681.db2.gz	UMOGJNXPZVDHDL-UHFFFAOYSA-N	-1	3	326.355	3.147	50	5		EGBAHM
COc1ccc(-c2ccc(C(=O)[N-]c3cc(C)on3)o2)c([N+](=O)[O-])c1	ZINC000005034595	210370555	/nfs/dbraw/zinc/37/05/55/210370555.db2.gz	KOSFBADPUCRQJJ-UHFFFAOYSA-N	-1	3	343.295	3.412	50	5		EGBAHM
Cc1nnsc1C(=O)[N-]c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000004584551	210226121	/nfs/dbraw/zinc/22/61/21/210226121.db2.gz	ZHVYIORVOSILGO-UHFFFAOYSA-N	-1	3	332.263	3.026	50	5		EGBAHM
C[C@@H]1CCCN(c2nc(N)c([N+](=O)[O-])c([N-]c3ccccc3F)n2)C1	ZINC000005215560	452848073	/nfs/dbraw/zinc/84/80/73/452848073.db2.gz	RDUDSRAENRJKHZ-SNVBAGLBSA-N	-1	3	346.366	3.086	50	5		EGBAHM
Nc1ncnc([N-]c2cc(C(F)(F)F)ccc2Cl)c1[N+](=O)[O-]	ZINC000003912591	210092287	/nfs/dbraw/zinc/09/22/87/210092287.db2.gz	XYQDIKJGNMFIGB-UHFFFAOYSA-N	-1	3	333.657	3.383	50	5		EGBAHM
Cc1ccc([N-]c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c(O)c1	ZINC000104233975	219363150	/nfs/dbraw/zinc/36/31/50/219363150.db2.gz	QIXOFVNIMVTZGS-UHFFFAOYSA-N	-1	3	334.244	3.169	50	5		EGBAHM
COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1ccc(Br)o1	ZINC000000038393	208554654	/nfs/dbraw/zinc/55/46/54/208554654.db2.gz	VOUPKERWMWEUHD-UHFFFAOYSA-N	-1	3	341.117	3.211	50	5		EGBAHM
O=C([N-]c1nc(-c2ccccc2)ns1)c1cccc([N+](=O)[O-])c1	ZINC000000179223	452529454	/nfs/dbraw/zinc/52/94/54/452529454.db2.gz	DSEAJSKAAVDJMU-UHFFFAOYSA-N	-1	3	326.337	3.366	50	5		EGBAHM
COC(=O)c1sccc1[N-]C(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000000475340	452604371	/nfs/dbraw/zinc/60/43/71/452604371.db2.gz	SEFONYHBWIHNAU-UHFFFAOYSA-N	-1	3	340.744	3.349	50	5		EGBAHM
CC(C)c1nnc([N-]C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1	ZINC000003079506	452742090	/nfs/dbraw/zinc/74/20/90/452742090.db2.gz	PNJJXLPNAUPLEC-UHFFFAOYSA-N	-1	3	326.765	3.475	50	5		EGBAHM
CCCc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)s1	ZINC000000050653	209390340	/nfs/dbraw/zinc/39/03/40/209390340.db2.gz	CDWRASXYSROSBJ-UHFFFAOYSA-N	-1	3	326.765	3.305	50	5		EGBAHM
Cc1cc(C)[n-]c(=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1	ZINC000004904120	280465260	/nfs/dbraw/zinc/46/52/60/280465260.db2.gz	RLNUHSDPNJEQLA-UHFFFAOYSA-N	-1	3	327.266	3.459	50	5		EGBAHM
O=C([N-]c1nsc(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1	ZINC000000127490	452515419	/nfs/dbraw/zinc/51/54/19/452515419.db2.gz	QYWJFFYZQCMILI-UHFFFAOYSA-N	-1	3	326.337	3.366	50	5		EGBAHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1cccc2ccccc21	ZINC000002532711	452704823	/nfs/dbraw/zinc/70/48/23/452704823.db2.gz	KEEGWFFUTWIEKK-UHFFFAOYSA-N	-1	3	342.376	3.227	50	5		EGBAHM
Nc1nc([N-]c2ccccc2F)nc(NCc2ccco2)c1[N+](=O)[O-]	ZINC000017198447	462997452	/nfs/dbraw/zinc/99/74/52/462997452.db2.gz	AKRQVKLRGXQTBE-UHFFFAOYSA-N	-1	3	344.306	3.055	50	5		EGBAHM
O=C(NC(=S)[N-]c1ccccc1[N+](=O)[O-])c1ccccc1Cl	ZINC000003880675	210084154	/nfs/dbraw/zinc/08/41/54/210084154.db2.gz	YTYFAJJZCOHJPQ-UHFFFAOYSA-N	-1	3	335.772	3.375	50	5		EGBAHM
O=C1c2cccc3cc([N+](=O)[O-])cc(c32)C(=O)N1c1ccccc1[O-]	ZINC000003206785	285017957	/nfs/dbraw/zinc/01/79/57/285017957.db2.gz	IWGUCAYNNLEWBI-UHFFFAOYSA-N	-1	3	334.287	3.254	50	5		EGBAHM
CCOc1nc([N-]c2ccc([N+](=O)[O-])cc2)nc(NC(C)(C)C)n1	ZINC000004859571	210303590	/nfs/dbraw/zinc/30/35/90/210303590.db2.gz	WOIMXMDDOXEIMH-UHFFFAOYSA-N	-1	3	332.364	3.133	50	5		EGBAHM
O=C([N-]c1nnc(Cc2ccccc2)s1)c1ccc([N+](=O)[O-])cc1	ZINC000000113994	452510282	/nfs/dbraw/zinc/51/02/82/452510282.db2.gz	AWMULXKOOGBZBE-UHFFFAOYSA-N	-1	3	340.364	3.289	50	5		EGBAHM
O=c1nc(-c2ccccc2[N+](=O)[O-])[n-]c2sc3c(c21)CCCC3	ZINC000001121491	452647398	/nfs/dbraw/zinc/64/73/98/452647398.db2.gz	CBULGVDKPTYDLJ-UHFFFAOYSA-N	-1	3	327.365	3.439	50	5		EGBAHM
CC(C)(C)C1CCC([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000017071255	453628347	/nfs/dbraw/zinc/62/83/47/453628347.db2.gz	HCSXCFCWGCUVJH-UHFFFAOYSA-N	-1	3	340.445	3.478	50	5		EGBAHM
COc1cccc2c([O-])c3c(=O)cc(O[C@H](C)C(C)=O)cc-3oc12	ZINC000008489503	453209119	/nfs/dbraw/zinc/20/91/19/453209119.db2.gz	WFDOBTGMMVTVRH-SNVBAGLBSA-N	-1	3	328.320	3.017	50	5	biogenic	EGBAHM
COc1cccc2c(=O)c3c([O-])cc(O[C@H](C)C(C)=O)cc3oc12	ZINC000008489503	453209125	/nfs/dbraw/zinc/20/91/25/453209125.db2.gz	WFDOBTGMMVTVRH-SNVBAGLBSA-N	-1	3	328.320	3.017	50	5	biogenic	EGBAHM
COc1cccc([N-]c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c1	ZINC000104229385	219363509	/nfs/dbraw/zinc/36/35/09/219363509.db2.gz	DCHYUBGQYANXJL-UHFFFAOYSA-N	-1	3	334.244	3.163	50	5		EGBAHM
O=[N+]([O-])c1c2nonc2c(N2CCCC2)cc1Nc1cccc([O-])c1	ZINC000004817331	210285755	/nfs/dbraw/zinc/28/57/55/210285755.db2.gz	FUVWNWJHZHUWJU-UHFFFAOYSA-N	-1	3	341.327	3.180	50	5		EGBAHM
CCOc1cccc(C(=O)NC(=S)[N-]c2ccccc2[N+](=O)[O-])c1	ZINC000004561521	452808299	/nfs/dbraw/zinc/80/82/99/452808299.db2.gz	QBEZGOFDMQZXIJ-UHFFFAOYSA-N	-1	3	345.380	3.120	50	5		EGBAHM
Cc1ccc(C(=O)[N-]c2nnc(C(F)(F)F)s2)cc1[N+](=O)[O-]	ZINC000002817178	209922146	/nfs/dbraw/zinc/92/21/46/209922146.db2.gz	SNXRGFXYHVXUSX-UHFFFAOYSA-N	-1	3	332.263	3.026	50	5		EGBAHM
O=C([N-]c1nc2c(s1)COc1ccccc1-2)c1ccc([N+](=O)[O-])o1	ZINC000004088278	284421763	/nfs/dbraw/zinc/42/17/63/284421763.db2.gz	NHMMMPRJGBGTDD-UHFFFAOYSA-N	-1	3	343.320	3.456	50	5		EGBAHM
O=C1c2cccc3cc([N+](=O)[O-])cc(c32)C(=O)N1c1ccc([O-])cc1	ZINC000000344989	285018033	/nfs/dbraw/zinc/01/80/33/285018033.db2.gz	CYMQWMDUWNEWOU-UHFFFAOYSA-N	-1	3	334.287	3.254	50	5		EGBAHM
CC(C)CC(=O)NC(=S)[N-]c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000004881515	210311110	/nfs/dbraw/zinc/31/11/10/210311110.db2.gz	LUOPSHVIRDJXFM-UHFFFAOYSA-N	-1	3	349.334	3.473	50	5		EGBAHM
O=C([N-]c1nnc(CC2CCCC2)s1)c1ccc([N+](=O)[O-])cc1	ZINC000001055866	452643377	/nfs/dbraw/zinc/64/33/77/452643377.db2.gz	XYUJAAINLFSDPR-UHFFFAOYSA-N	-1	3	332.385	3.431	50	5		EGBAHM
Cc1ccc(C(=O)NC(=S)[N-]c2ccccc2[N+](=O)[O-])cc1C	ZINC000004310104	452800219	/nfs/dbraw/zinc/80/02/19/452800219.db2.gz	REIUXEHTEYRPTD-UHFFFAOYSA-N	-1	3	329.381	3.338	50	5		EGBAHM
O=C([N-]c1nonc1-c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000005488456	452877736	/nfs/dbraw/zinc/87/77/36/452877736.db2.gz	AAOOLKRBSNSLBL-UHFFFAOYSA-N	-1	3	328.259	3.036	50	5		EGBAHM
O=C([N-]c1nc(-c2ccc(Cl)cc2)cs1)c1n[nH]cc1[N+](=O)[O-]	ZINC000006414041	452943250	/nfs/dbraw/zinc/94/32/50/452943250.db2.gz	DMZFFWMOENDDNP-UHFFFAOYSA-N	-1	3	349.759	3.347	50	5		EGBAHM
O=C([N-]c1ccc(F)c([N+](=O)[O-])c1)c1ccc(Br)o1	ZINC000000171008	452527572	/nfs/dbraw/zinc/52/75/72/452527572.db2.gz	CXURFJGJWKHQGB-UHFFFAOYSA-N	-1	3	329.081	3.342	50	5		EGBAHM
CCOc1ccc([N-]c2c3nonc3c([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000004420862	210190704	/nfs/dbraw/zinc/19/07/04/210190704.db2.gz	BEKWKAQQQCPMEI-UHFFFAOYSA-N	-1	3	345.271	3.182	50	5		EGBAHM
CC(=O)c1sc([N-]C(=O)c2cc(Cl)ccc2[N+](=O)[O-])nc1C	ZINC000000434022	452590724	/nfs/dbraw/zinc/59/07/24/452590724.db2.gz	VGXSYIYAZVJJNY-UHFFFAOYSA-N	-1	3	339.760	3.468	50	5		EGBAHM
O=C(NC(=S)[N-]c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1	ZINC000003953438	210095664	/nfs/dbraw/zinc/09/56/64/210095664.db2.gz	YUMNQHKGCMNZDF-UHFFFAOYSA-N	-1	3	335.772	3.375	50	5		EGBAHM
CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cccc(Cl)c2Cl)n1	ZINC000000356018	209548275	/nfs/dbraw/zinc/54/82/75/209548275.db2.gz	HQAKMPJBEVPVSH-UHFFFAOYSA-N	-1	3	329.143	3.370	50	5		EGBAHM
Cc1cc(OC(=O)c2cc(Cl)ccc2Cl)c([N+](=O)[O-])c(=O)[n-]1	ZINC000004248370	210151316	/nfs/dbraw/zinc/15/13/16/210151316.db2.gz	DFFMAKJTAYUKSW-UHFFFAOYSA-N	-1	3	343.122	3.118	50	5		EGBAHM
Cc1ccc(C(=O)NC(=S)[N-]c2ccc(C)cc2[N+](=O)[O-])cc1	ZINC000004551489	452808514	/nfs/dbraw/zinc/80/85/14/452808514.db2.gz	QWBAYHQEFIMQBU-UHFFFAOYSA-N	-1	3	329.381	3.338	50	5		EGBAHM
O=c1[n-]c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc2ccccc21	ZINC000015986099	453590673	/nfs/dbraw/zinc/59/06/73/453590673.db2.gz	DKIQDIQJQPRRDL-UHFFFAOYSA-N	-1	3	344.308	3.303	50	5		EGBAHM
Cc1sc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])nc1-c1ccccc1	ZINC000006412608	279285044	/nfs/dbraw/zinc/28/50/44/279285044.db2.gz	QJMLYWATWKXIHD-UHFFFAOYSA-N	-1	3	329.341	3.002	50	5		EGBAHM
CCCCc1nnc([N-]C(=O)c2ccc(OC)c([N+](=O)[O-])c2)s1	ZINC000002878148	452732213	/nfs/dbraw/zinc/73/22/13/452732213.db2.gz	RPLJRNLVSYVTDE-UHFFFAOYSA-N	-1	3	336.373	3.050	50	5		EGBAHM
CC1CCN(c2nc(N)c([N+](=O)[O-])c([N-]c3ccccc3F)n2)CC1	ZINC000005054269	452833852	/nfs/dbraw/zinc/83/38/52/452833852.db2.gz	YZRZNVPAXUCGTM-UHFFFAOYSA-N	-1	3	346.366	3.086	50	5		EGBAHM
Nc1nc([N-]c2ccccc2F)nc(N2CCCCCC2)c1[N+](=O)[O-]	ZINC000017249823	453631704	/nfs/dbraw/zinc/63/17/04/453631704.db2.gz	LOBRMBPBWJXQML-UHFFFAOYSA-N	-1	3	346.366	3.230	50	5		EGBAHM
CC(C)c1ccc(-c2nn3c(=O)nc4ccccc4c3[n-]c2=O)cc1	ZINC000071924189	454259442	/nfs/dbraw/zinc/25/94/42/454259442.db2.gz	LNKKOPOZLAKTME-UHFFFAOYSA-N	-1	3	332.363	3.134	50	5		EGBAHM
O=C([N-]c1nnc(-c2ccc(F)cc2)o1)c1cccc([N+](=O)[O-])c1	ZINC000004275944	210158363	/nfs/dbraw/zinc/15/83/63/210158363.db2.gz	IIZXTDRKWVLPNT-UHFFFAOYSA-N	-1	3	328.259	3.036	50	5		EGBAHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1	ZINC000000375693	452574625	/nfs/dbraw/zinc/57/46/25/452574625.db2.gz	ZAQHYLRSRJRLEP-UHFFFAOYSA-N	-1	3	330.724	3.188	50	5		EGBAHM