smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1F	ZINC000081572349	537784699	/nfs/dbraw/zinc/78/46/99/537784699.db2.gz	ONKRFPVTDWWZRP-UHFFFAOYSA-N	-1	3	234.208	1.105	10	5		BDBEHM
O=c1cc([O-])c2c(O)c3cccc(O)c3[nH]c-2c1	ZINC000014774907	384473060	/nfs/dbraw/zinc/47/30/60/384473060.db2.gz	QCNWCELEAMCXOV-UHFFFAOYSA-N	-1	3	243.218	1.798	10	5		BDBEHM
CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000122535477	589600009	/nfs/dbraw/zinc/60/00/09/589600009.db2.gz	PHVXMELNIZCQOP-UHFFFAOYSA-N	-1	3	248.235	1.032	10	5		BDBEHM
O=c1cc([O-])c2c(O)c3cc(O)ccc3[nH]c-2c1	ZINC000027558008	344273098	/nfs/dbraw/zinc/27/30/98/344273098.db2.gz	ZNICVLQYUJJRMP-UHFFFAOYSA-N	-1	3	243.218	1.798	10	5		BDBEHM
Nc1c([O-])ccc(Br)c1[N+](=O)[O-]	ZINC000575720198	387441784	/nfs/dbraw/zinc/44/17/84/387441784.db2.gz	HYOYVINKXLRBLX-UHFFFAOYSA-N	-1	3	233.021	1.645	10	5		BDBEHM
CC(C)NCc1ccc([N+](=O)[O-])c([O-])c1	ZINC000050517151	167119610	/nfs/dbraw/zinc/11/96/10/167119610.db2.gz	KOIRFJPIVTYYEQ-UHFFFAOYSA-N	-1	3	210.233	1.798	10	5		BDBEHM
O=Cc1n[n-]c2cc([N+](=O)[O-])cc(Cl)c12	ZINC000014984247	350440642	/nfs/dbraw/zinc/44/06/42/350440642.db2.gz	SEGIVGBUQHAVLV-UHFFFAOYSA-N	-1	3	225.591	1.937	10	5		BDBEHM
O=Cc1[n-]nc2cc([N+](=O)[O-])cc(Cl)c12	ZINC000014984247	350440646	/nfs/dbraw/zinc/44/06/46/350440646.db2.gz	SEGIVGBUQHAVLV-UHFFFAOYSA-N	-1	3	225.591	1.937	10	5		BDBEHM
CC(C)Oc1c([O-])c(CO)ccc1[N+](=O)[O-]	ZINC000261508674	386029150	/nfs/dbraw/zinc/02/91/50/386029150.db2.gz	VTLXUASBSKGWKJ-UHFFFAOYSA-N	-1	3	227.216	1.580	10	5		BDBEHM
Nc1c2n[n-]c(Cl)c2ccc1[N+](=O)[O-]	ZINC000089200519	387334609	/nfs/dbraw/zinc/33/46/09/387334609.db2.gz	YBLSJFNDIPEARI-UHFFFAOYSA-N	-1	3	212.596	1.707	10	5		BDBEHM
O=[N+]([O-])c1cc([O-])c(CO)cc1OC(F)F	ZINC000575663437	384424714	/nfs/dbraw/zinc/42/47/14/384424714.db2.gz	ZTVYQFFYZBZZCQ-UHFFFAOYSA-N	-1	3	235.142	1.394	10	5		BDBEHM
O=[N+]([O-])c1c[nH]c(-c2cccc([O-])c2)n1	ZINC000521401300	388672505	/nfs/dbraw/zinc/67/25/05/388672505.db2.gz	WVBZQNHDXCTRCH-UHFFFAOYSA-N	-1	3	205.173	1.691	10	5		BDBEHM
O=c1[n-]c(Cl)nc2ccc([N+](=O)[O-])cc12	ZINC000039345960	182942852	/nfs/dbraw/zinc/94/28/52/182942852.db2.gz	MLJRXYMXBVELPQ-UHFFFAOYSA-N	-1	3	225.591	1.897	10	5		BDBEHM
O=[N+]([O-])c1ccc(-c2ccc[nH]2)nc1[O-]	ZINC000261492299	384329346	/nfs/dbraw/zinc/32/93/46/384329346.db2.gz	RTSRJMYOGUVOIQ-UHFFFAOYSA-N	-1	3	205.173	1.691	10	5		BDBEHM
Nc1cc([O-])cc([N+](=O)[O-])c1OC(F)(F)F	ZINC000575728275	384917914	/nfs/dbraw/zinc/91/79/14/384917914.db2.gz	MIDRCEXJYIUIBY-UHFFFAOYSA-N	-1	3	238.121	1.781	10	5		BDBEHM
Nc1c(OC(F)F)cc([O-])cc1[N+](=O)[O-]	ZINC000575723796	387447999	/nfs/dbraw/zinc/44/79/99/387447999.db2.gz	XLTABTMMETXUQY-UHFFFAOYSA-N	-1	3	220.131	1.484	10	5		BDBEHM
Cc1c(Cc2nnn[n-]2)cccc1[N+](=O)[O-]	ZINC000035649568	358013193	/nfs/dbraw/zinc/01/31/93/358013193.db2.gz	UMUSGXKXDZUIMD-UHFFFAOYSA-N	-1	3	219.204	1.007	10	5		BDBEHM
Cc1c(Cc2nn[n-]n2)cccc1[N+](=O)[O-]	ZINC000035649568	358013197	/nfs/dbraw/zinc/01/31/97/358013197.db2.gz	UMUSGXKXDZUIMD-UHFFFAOYSA-N	-1	3	219.204	1.007	10	5		BDBEHM
O=C([N-]c1ccc([N+](=O)[O-])cc1)c1cnon1	ZINC000066098651	182362033	/nfs/dbraw/zinc/36/20/33/182362033.db2.gz	CIVDKIPKJCZWKO-UHFFFAOYSA-N	-1	3	234.171	1.230	10	5		BDBEHM
CCOC(=O)c1ccc([O-])c(N)c1[N+](=O)[O-]	ZINC000575724331	384908642	/nfs/dbraw/zinc/90/86/42/384908642.db2.gz	BDKZFEYEODKQFP-UHFFFAOYSA-N	-1	3	226.188	1.059	10	5		BDBEHM
Nc1cc(OC(F)(F)F)c([N+](=O)[O-])cc1[O-]	ZINC000575729159	387469587	/nfs/dbraw/zinc/46/95/87/387469587.db2.gz	WANJCWMSUMDBQB-UHFFFAOYSA-N	-1	3	238.121	1.781	10	5		BDBEHM
CCOC(=O)c1c([O-])cccc1[N+](=O)[O-]	ZINC000095932972	170289261	/nfs/dbraw/zinc/28/92/61/170289261.db2.gz	UWNNFIIPEPEGTK-UHFFFAOYSA-N	-1	3	211.173	1.477	10	5		BDBEHM
Nc1nc(-c2cccc([N+](=O)[O-])c2)cc(=O)[n-]1	ZINC000584625032	358293639	/nfs/dbraw/zinc/29/36/39/358293639.db2.gz	WHPRHVOWNPTUGF-UHFFFAOYSA-N	-1	3	232.199	1.170	10	5		BDBEHM
CN(C)C(=O)c1nc2cccc([N+](=O)[O-])c2[n-]1	ZINC000089195115	172392933	/nfs/dbraw/zinc/39/29/33/172392933.db2.gz	DSAKLGYWAZXFAD-UHFFFAOYSA-N	-1	3	234.215	1.173	10	5		BDBEHM
O=c1[n-]ccc([N+](=O)[O-])c1OC(F)(F)F	ZINC000238710672	361364781	/nfs/dbraw/zinc/36/47/81/361364781.db2.gz	NZHMUHLDEIRDHZ-UHFFFAOYSA-N	-1	3	224.094	1.594	10	5		BDBEHM
CCCNCc1ccc([N+](=O)[O-])c([O-])c1	ZINC000050517065	169268521	/nfs/dbraw/zinc/26/85/21/169268521.db2.gz	XJQATOZJVMNMLB-UHFFFAOYSA-N	-1	3	210.233	1.800	10	5		BDBEHM
O=[N+]([O-])c1cnc([N-]c2cccnc2)nc1	ZINC000091302108	388613414	/nfs/dbraw/zinc/61/34/14/388613414.db2.gz	KEABTCUKCXVMBE-UHFFFAOYSA-N	-1	3	217.188	1.523	10	5		BDBEHM
Nc1c2ccc([N+](=O)[O-])cc2oc1C(=O)[O-]	ZINC000584881540	343082470	/nfs/dbraw/zinc/08/24/70/343082470.db2.gz	KUMMGCJUTYFODS-UHFFFAOYSA-N	-1	3	222.156	1.621	10	5		BDBEHM
COC(=O)c1cc(-c2ccccc2[N+](=O)[O-])n[n-]1	ZINC000514251122	344906345	/nfs/dbraw/zinc/90/63/45/344906345.db2.gz	JNWUYQPILCTXGQ-UHFFFAOYSA-N	-1	3	247.210	1.772	10	5		BDBEHM
COC(=O)c1cc(-c2ccccc2[N+](=O)[O-])[n-]n1	ZINC000514251122	344906350	/nfs/dbraw/zinc/90/63/50/344906350.db2.gz	JNWUYQPILCTXGQ-UHFFFAOYSA-N	-1	3	247.210	1.772	10	5		BDBEHM
CCOC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000006403749	358006563	/nfs/dbraw/zinc/00/65/63/358006563.db2.gz	GUBJDUFKRJFIBQ-UHFFFAOYSA-N	-1	3	211.173	1.477	10	5		BDBEHM
N[C@H](CCF)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000575439810	387125985	/nfs/dbraw/zinc/12/59/85/387125985.db2.gz	XYBZBELJVGETDN-MRVPVSSYSA-N	-1	3	214.196	1.660	10	5		BDBEHM
O=c1[n-]c2c(Cl)cc([N+](=O)[O-])cc2c(=O)o1	ZINC000021982314	188178973	/nfs/dbraw/zinc/17/89/73/188178973.db2.gz	XWVNAIMOKOZHJF-UHFFFAOYSA-N	-1	3	242.574	1.043	10	5		BDBEHM
Nc1c([O-])cc([N+](=O)[O-])cc1OC(F)(F)F	ZINC000575727823	387464972	/nfs/dbraw/zinc/46/49/72/387464972.db2.gz	GTNNWWVAJUMVEY-UHFFFAOYSA-N	-1	3	238.121	1.781	10	5		BDBEHM
CCOC(=O)c1c([O-])cc(N)cc1[N+](=O)[O-]	ZINC000575724601	398069629	/nfs/dbraw/zinc/06/96/29/398069629.db2.gz	LHQLUQVPXAFGOX-UHFFFAOYSA-N	-1	3	226.188	1.059	10	5		BDBEHM
O=c1[nH][n-]c2cc([N+](=O)[O-])cc(Cl)c12	ZINC000100229504	342712925	/nfs/dbraw/zinc/71/29/25/342712925.db2.gz	GWSGGTFMINZNIW-UHFFFAOYSA-N	-1	3	213.580	1.830	10	5		BDBEHM
O=c1[n-]ccc(OC(F)(F)F)c1[N+](=O)[O-]	ZINC000238710815	361365295	/nfs/dbraw/zinc/36/52/95/361365295.db2.gz	MTFCHAZHBFMPLK-UHFFFAOYSA-N	-1	3	224.094	1.594	10	5		BDBEHM
Nc1c([O-])cc([N+](=O)[O-])cc1OC(F)F	ZINC000575723766	384900880	/nfs/dbraw/zinc/90/08/80/384900880.db2.gz	VXOVGKPOUJCPST-UHFFFAOYSA-N	-1	3	220.131	1.484	10	5		BDBEHM
N[C@H](CC(F)F)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000575437698	387108579	/nfs/dbraw/zinc/10/85/79/387108579.db2.gz	PAOYGBVHUULGMX-SSDOTTSWSA-N	-1	3	232.186	1.955	10	5		BDBEHM
CCOC(=O)c1cc([O-])c(N)c([N+](=O)[O-])c1	ZINC000575725118	387459261	/nfs/dbraw/zinc/45/92/61/387459261.db2.gz	RGVZTELPVRWPIJ-UHFFFAOYSA-N	-1	3	226.188	1.059	10	5		BDBEHM
Nc1c([O-])cc(OC(F)(F)F)cc1[N+](=O)[O-]	ZINC000575727880	387464990	/nfs/dbraw/zinc/46/49/90/387464990.db2.gz	IKCWBNGWUQYVRS-UHFFFAOYSA-N	-1	3	238.121	1.781	10	5		BDBEHM
Nc1c([O-])cc([N+](=O)[O-])cc1C(F)(F)F	ZINC000575728258	387465741	/nfs/dbraw/zinc/46/57/41/387465741.db2.gz	MBQNLWUGNJPCJZ-UHFFFAOYSA-N	-1	3	222.122	1.901	10	5		BDBEHM
O=c1[n-]c(Cl)nc2cc([N+](=O)[O-])ccc12	ZINC000091301627	182941022	/nfs/dbraw/zinc/94/10/22/182941022.db2.gz	AXZHXOUENOJTBD-UHFFFAOYSA-N	-1	3	225.591	1.897	10	5		BDBEHM
Cc1ccc(-c2n[nH]c(=S)[n-]2)cc1[N+](=O)[O-]	ZINC000008550911	178336065	/nfs/dbraw/zinc/33/60/65/178336065.db2.gz	FYYIEXZHECEECC-UHFFFAOYSA-N	-1	3	236.256	1.977	10	5		BDBEHM
C[C@@H]1C[C@@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-]	ZINC000596107348	348441118	/nfs/dbraw/zinc/44/11/18/348441118.db2.gz	HHJFOHNQRTWUEN-VDTYLAMSSA-N	-1	3	209.205	1.516	10	5		BDBEHM
O=[N+]([O-])c1cccc([O-])c1OC(F)F	ZINC000238724961	361372318	/nfs/dbraw/zinc/37/23/18/361372318.db2.gz	FGDZLDLKARAKRS-UHFFFAOYSA-N	-1	3	205.116	1.902	10	5		BDBEHM
CCCCOC(=O)c1cc([N+](=O)[O-])[n-]n1	ZINC000005298278	384997993	/nfs/dbraw/zinc/99/79/93/384997993.db2.gz	UXUDMQZLEAESMY-UHFFFAOYSA-N	-1	3	213.193	1.275	10	5		BDBEHM
CCCCOC(=O)c1cc([N+](=O)[O-])n[n-]1	ZINC000005298278	384998000	/nfs/dbraw/zinc/99/80/00/384998000.db2.gz	UXUDMQZLEAESMY-UHFFFAOYSA-N	-1	3	213.193	1.275	10	5		BDBEHM
O=c1[n-]c(-c2cc[nH]c2)ccc1[N+](=O)[O-]	ZINC000261492410	384330837	/nfs/dbraw/zinc/33/08/37/384330837.db2.gz	XBKLCEIQCWMBRY-UHFFFAOYSA-N	-1	3	205.173	1.691	10	5		BDBEHM
O=[N+]([O-])c1ccc(-c2cc[nH]c2)nc1[O-]	ZINC000261492410	384330842	/nfs/dbraw/zinc/33/08/42/384330842.db2.gz	XBKLCEIQCWMBRY-UHFFFAOYSA-N	-1	3	205.173	1.691	10	5		BDBEHM
O=[N+]([O-])c1cc([O-])c(CO)c(OC(F)F)c1	ZINC000575662817	387194144	/nfs/dbraw/zinc/19/41/44/387194144.db2.gz	JPRRYAHHAOMAEL-UHFFFAOYSA-N	-1	3	235.142	1.394	10	5		BDBEHM
Nc1cc([O-])cc([N+](=O)[O-])c1OC(F)F	ZINC000575722958	387446250	/nfs/dbraw/zinc/44/62/50/387446250.db2.gz	IVPYTIGKRYAXGH-UHFFFAOYSA-N	-1	3	220.131	1.484	10	5		BDBEHM
O=C1[N-]c2cc(F)c([N+](=O)[O-])c(F)c2C1=O	ZINC000219751416	592240380	/nfs/dbraw/zinc/24/03/80/592240380.db2.gz	OQCGKOTYYMHFMK-UHFFFAOYSA-N	-1	3	228.110	1.008	10	5		BDBEHM
Cc1c2c(ccc1[N+](=O)[O-])C(=O)C(=O)[N-]2	ZINC000019279672	344452611	/nfs/dbraw/zinc/45/26/11/344452611.db2.gz	XINFJUOXGHWKTD-UHFFFAOYSA-N	-1	3	206.157	1.038	10	5		BDBEHM
CCS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1F	ZINC000014256465	344463692	/nfs/dbraw/zinc/46/36/92/344463692.db2.gz	RXPOIYGQBAGOOY-UHFFFAOYSA-N	-1	3	248.235	1.496	10	5		BDBEHM
CCCc1ncc([O-])c(C(=O)OC)c1[N+](=O)[O-]	ZINC000071973372	169595522	/nfs/dbraw/zinc/59/55/22/169595522.db2.gz	HGVISWWEFUMJKY-UHFFFAOYSA-N	-1	3	240.215	1.435	10	5		BDBEHM
O=c1[n-]c(Cl)nc2c1cccc2[N+](=O)[O-]	ZINC000299889134	386498649	/nfs/dbraw/zinc/49/86/49/386498649.db2.gz	DWLTXFFVPQQXCE-UHFFFAOYSA-N	-1	3	225.591	1.897	10	5		BDBEHM
O=[N+]([O-])c1cncc(OC(F)(F)F)c1[O-]	ZINC000238726461	344996328	/nfs/dbraw/zinc/99/63/28/344996328.db2.gz	DIDYWFUTHKVJCK-UHFFFAOYSA-N	-1	3	224.094	1.594	10	5		BDBEHM
Cn1nc(-c2ccc([N+](=O)[O-])o2)[n-]c1=S	ZINC000039206112	188110521	/nfs/dbraw/zinc/11/05/21/188110521.db2.gz	BWERGAABCYFLCO-UHFFFAOYSA-N	-1	3	226.217	1.646	10	5		BDBEHM
N[C@@H](CF)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000238574439	361157037	/nfs/dbraw/zinc/15/70/37/361157037.db2.gz	LDCVIIOBFGNWSG-LURJTMIESA-N	-1	3	200.169	1.270	10	5		BDBEHM
CC(C)(C)OC(=O)c1cc([N+](=O)[O-])[n-]n1	ZINC000205240460	369009353	/nfs/dbraw/zinc/00/93/53/369009353.db2.gz	BQJQRHZMXGUDPJ-UHFFFAOYSA-N	-1	3	213.193	1.273	10	5		BDBEHM
CC(C)(C)OC(=O)c1cc([N+](=O)[O-])n[n-]1	ZINC000205240460	369009356	/nfs/dbraw/zinc/00/93/56/369009356.db2.gz	BQJQRHZMXGUDPJ-UHFFFAOYSA-N	-1	3	213.193	1.273	10	5		BDBEHM
CCOc1c([O-])cc([N+](=O)[O-])cc1OC	ZINC000204914694	386784771	/nfs/dbraw/zinc/78/47/71/386784771.db2.gz	WWAYARAEGBRHDW-UHFFFAOYSA-N	-1	3	213.189	1.708	10	5		BDBEHM
COC(=O)c1c([O-])ccc(Cl)c1[N+](=O)[O-]	ZINC000575712933	387417498	/nfs/dbraw/zinc/41/74/98/387417498.db2.gz	RGYFLBUHFVKEBU-UHFFFAOYSA-N	-1	3	231.591	1.740	10	5		BDBEHM
Nc1c([O-])ccc(C(F)(F)F)c1[N+](=O)[O-]	ZINC000575728907	387467819	/nfs/dbraw/zinc/46/78/19/387467819.db2.gz	SJOHACRLRCPSIC-UHFFFAOYSA-N	-1	3	222.122	1.901	10	5		BDBEHM
CN1CCN(c2ccc([N+](=O)[O-])cc2[O-])CC1	ZINC000147122354	368350951	/nfs/dbraw/zinc/35/09/51/368350951.db2.gz	NRZLWURJDLIZMX-UHFFFAOYSA-N	-1	3	237.259	1.052	10	5		BDBEHM
Nc1cc([N+](=O)[O-])cc([O-])c1OC(F)(F)F	ZINC000575728433	387465864	/nfs/dbraw/zinc/46/58/64/387465864.db2.gz	PDVIXHXOUCRDTM-UHFFFAOYSA-N	-1	3	238.121	1.781	10	5		BDBEHM
Nc1c2cc([N+](=O)[O-])ccc2oc1C(=O)[O-]	ZINC000215462520	343077304	/nfs/dbraw/zinc/07/73/04/343077304.db2.gz	GNOVTVUVTDGYKO-UHFFFAOYSA-N	-1	3	222.156	1.621	10	5		BDBEHM
Cn1nc2c3cc([N+](=O)[O-])ccc3[n-]cc-2c1=O	ZINC000026507525	180605563	/nfs/dbraw/zinc/60/55/63/180605563.db2.gz	IJNDATAZFSMBJF-UHFFFAOYSA-N	-1	3	244.210	1.323	10	5		BDBEHM
COC(=O)c1cc2c(cccc2[N+](=O)[O-])[n-]1	ZINC000149300656	368394877	/nfs/dbraw/zinc/39/48/77/368394877.db2.gz	GHUSDSFVXGZVPC-UHFFFAOYSA-N	-1	3	220.184	1.863	10	5		BDBEHM
C[C@@H]1OCC[C@@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-]	ZINC000596179680	348455311	/nfs/dbraw/zinc/45/53/11/348455311.db2.gz	OIEJTGPIXHGWDD-BQBZGAKWSA-N	-1	3	239.231	1.285	10	5		BDBEHM
N[C@H](CF)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000238685120	361179009	/nfs/dbraw/zinc/17/90/09/361179009.db2.gz	LDCVIIOBFGNWSG-ZCFIWIBFSA-N	-1	3	200.169	1.270	10	5		BDBEHM
Nc1c(OC(F)(F)F)cc([O-])cc1[N+](=O)[O-]	ZINC000575727907	387465560	/nfs/dbraw/zinc/46/55/60/387465560.db2.gz	KJHVONSGPRJNFT-UHFFFAOYSA-N	-1	3	238.121	1.781	10	5		BDBEHM
O=C1[N-]c2ccc([N+](=O)[O-])c(Cl)c2C1=O	ZINC000139897925	592439031	/nfs/dbraw/zinc/43/90/31/592439031.db2.gz	JDWYFNWNIHOIFN-UHFFFAOYSA-N	-1	3	226.575	1.383	10	5		BDBEHM
CC(C)OC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000309159002	342898087	/nfs/dbraw/zinc/89/80/87/342898087.db2.gz	XYOUJVIQUCRXEX-UHFFFAOYSA-N	-1	3	225.200	1.866	10	5		BDBEHM
C[C@H]1OCC[C@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-]	ZINC000596179682	348455073	/nfs/dbraw/zinc/45/50/73/348455073.db2.gz	OIEJTGPIXHGWDD-RNFRBKRXSA-N	-1	3	239.231	1.285	10	5		BDBEHM
O=c1[n-]c2c(cc(Cl)cc2[N+](=O)[O-])c(=O)o1	ZINC000005973837	351348807	/nfs/dbraw/zinc/34/88/07/351348807.db2.gz	RVEUSUWWSKGWHC-UHFFFAOYSA-N	-1	3	242.574	1.043	10	5		BDBEHM
O=[N+]([O-])c1csc(-c2n[n-]c(=S)o2)c1	ZINC000307248494	351753998	/nfs/dbraw/zinc/75/39/98/351753998.db2.gz	NGBPBVOSXNXXPI-UHFFFAOYSA-N	-1	3	229.242	1.995	10	5		BDBEHM
Nc1cc(Br)c([N+](=O)[O-])cc1[O-]	ZINC000575720724	387443372	/nfs/dbraw/zinc/44/33/72/387443372.db2.gz	QWBOMOREDSPASN-UHFFFAOYSA-N	-1	3	233.021	1.645	10	5		BDBEHM
Nc1cc([O-])c(OC(F)(F)F)c([N+](=O)[O-])c1	ZINC000575728431	387464922	/nfs/dbraw/zinc/46/49/22/387464922.db2.gz	PBKSUUYVGVTEEG-UHFFFAOYSA-N	-1	3	238.121	1.781	10	5		BDBEHM
COCCNCc1ccc([O-])c([N+](=O)[O-])c1	ZINC000058055274	174335895	/nfs/dbraw/zinc/33/58/95/174335895.db2.gz	CGGBLLNUSNJDOQ-UHFFFAOYSA-N	-1	3	226.232	1.036	10	5		BDBEHM
COc1cc(=O)c2c(c1)nc1[nH]cccc1c2[O-]	ZINC000003585524	188275756	/nfs/dbraw/zinc/27/57/56/188275756.db2.gz	YBQAOLAOJPANCF-UHFFFAOYSA-N	-1	3	242.234	1.791	10	5		BDBEHM
COc1cc([O-])c2c(c1)nc1[nH]cccc-1c2=O	ZINC000003585524	188275758	/nfs/dbraw/zinc/27/57/58/188275758.db2.gz	YBQAOLAOJPANCF-UHFFFAOYSA-N	-1	3	242.234	1.791	10	5		BDBEHM
CCOC(=O)c1c(N)cc([N+](=O)[O-])cc1[O-]	ZINC000575725684	398068731	/nfs/dbraw/zinc/06/87/31/398068731.db2.gz	ULZWWIBGRQZORF-UHFFFAOYSA-N	-1	3	226.188	1.059	10	5		BDBEHM
Cc1cc([N+](=O)[O-])c(F)c2c1[N-]C(=O)C2=O	ZINC000757187490	586434749	/nfs/dbraw/zinc/43/47/49/586434749.db2.gz	JBEQIUFYWPSCOV-UHFFFAOYSA-N	-1	3	224.147	1.177	10	5		BDBEHM
O=c1[n-]cc([N+](=O)[O-])cc1OC(F)(F)F	ZINC000238709102	361365069	/nfs/dbraw/zinc/36/50/69/361365069.db2.gz	RNCCGVCMSDVGOR-UHFFFAOYSA-N	-1	3	224.094	1.594	10	5		BDBEHM
N[C@@H](CCF)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000575439742	387125865	/nfs/dbraw/zinc/12/58/65/387125865.db2.gz	XYBZBELJVGETDN-QMMMGPOBSA-N	-1	3	214.196	1.660	10	5		BDBEHM
O=[N+]([O-])c1cc([O-])c(OC(F)F)cc1CO	ZINC000575663296	387270402	/nfs/dbraw/zinc/27/04/02/387270402.db2.gz	VVYXEVJJIRRZJP-UHFFFAOYSA-N	-1	3	235.142	1.394	10	5		BDBEHM
Nc1c([O-])cc(OC(F)F)cc1[N+](=O)[O-]	ZINC000575722490	387446819	/nfs/dbraw/zinc/44/68/19/387446819.db2.gz	DEAPNIIPKGJGSK-UHFFFAOYSA-N	-1	3	220.131	1.484	10	5		BDBEHM
Nc1cc([N+](=O)[O-])cc(OC(F)(F)F)c1[O-]	ZINC000575728402	387465178	/nfs/dbraw/zinc/46/51/78/387465178.db2.gz	OJBMIPJEKFIHLT-UHFFFAOYSA-N	-1	3	238.121	1.781	10	5		BDBEHM
O=[N+]([O-])c1cc([O-])ccc1OC(F)F	ZINC000238721352	345118326	/nfs/dbraw/zinc/11/83/26/345118326.db2.gz	HHZBTTCLKNQINF-UHFFFAOYSA-N	-1	3	205.116	1.902	10	5		BDBEHM
C[C@H]1OCC[C@@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-]	ZINC000596179683	348455097	/nfs/dbraw/zinc/45/50/97/348455097.db2.gz	OIEJTGPIXHGWDD-RQJHMYQMSA-N	-1	3	239.231	1.285	10	5		BDBEHM
C[C@@H]1OCC[C@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-]	ZINC000596179681	348455347	/nfs/dbraw/zinc/45/53/47/348455347.db2.gz	OIEJTGPIXHGWDD-NKWVEPMBSA-N	-1	3	239.231	1.285	10	5		BDBEHM
O=c1[n-]c2c(cc1[N+](=O)[O-])CCCCC2	ZINC000026441341	357117986	/nfs/dbraw/zinc/11/79/86/357117986.db2.gz	GTUGMZHJWRPXMV-UHFFFAOYSA-N	-1	3	208.217	1.552	10	5		BDBEHM
CCOC(=O)c1[n-]nc2c1cccc2[N+](=O)[O-]	ZINC000117660421	370947763	/nfs/dbraw/zinc/94/77/63/370947763.db2.gz	RWGULAZXSYKAAR-UHFFFAOYSA-N	-1	3	235.199	1.648	10	5		BDBEHM
CCOC(=O)c1n[n-]c2c1cccc2[N+](=O)[O-]	ZINC000117660421	370947769	/nfs/dbraw/zinc/94/77/69/370947769.db2.gz	RWGULAZXSYKAAR-UHFFFAOYSA-N	-1	3	235.199	1.648	10	5		BDBEHM
CNCc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000039084186	372861569	/nfs/dbraw/zinc/86/15/69/372861569.db2.gz	JYRRRGUYPMDAMW-UHFFFAOYSA-N	-1	3	210.189	1.012	10	5		BDBEHM
O=C([O-])CCNCc1cc(F)ccc1[N+](=O)[O-]	ZINC000035386838	182447365	/nfs/dbraw/zinc/44/73/65/182447365.db2.gz	FUOMRLJRDAROHF-UHFFFAOYSA-N	-1	3	242.206	1.298	10	5		BDBEHM
COC(=O)c1[n-]nc2c1cccc2[N+](=O)[O-]	ZINC000089157344	387135984	/nfs/dbraw/zinc/13/59/84/387135984.db2.gz	XLSCYIAYROIMPF-UHFFFAOYSA-N	-1	3	221.172	1.258	10	5		BDBEHM
COC(=O)c1n[n-]c2c1cccc2[N+](=O)[O-]	ZINC000089157344	387135987	/nfs/dbraw/zinc/13/59/87/387135987.db2.gz	XLSCYIAYROIMPF-UHFFFAOYSA-N	-1	3	221.172	1.258	10	5		BDBEHM
O=[N+]([O-])c1cc([O-])cc(CO)c1OC(F)F	ZINC000575663424	387287497	/nfs/dbraw/zinc/28/74/97/387287497.db2.gz	ZDTZMWDMOAOWRQ-UHFFFAOYSA-N	-1	3	235.142	1.394	10	5		BDBEHM
Nc1c([O-])cc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000575727401	387461933	/nfs/dbraw/zinc/46/19/33/387461933.db2.gz	DGYZBGDLYALQCR-UHFFFAOYSA-N	-1	3	222.122	1.901	10	5		BDBEHM
COc1cc2n[n-]c(C=O)c2c([N+](=O)[O-])c1	ZINC000042689517	175017674	/nfs/dbraw/zinc/01/76/74/175017674.db2.gz	HFVPVBUGMTYFIU-UHFFFAOYSA-N	-1	3	221.172	1.292	10	5		BDBEHM
COc1cc2[n-]nc(C=O)c2c([N+](=O)[O-])c1	ZINC000042689517	175017675	/nfs/dbraw/zinc/01/76/75/175017675.db2.gz	HFVPVBUGMTYFIU-UHFFFAOYSA-N	-1	3	221.172	1.292	10	5		BDBEHM
CCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1N	ZINC000575724336	387435999	/nfs/dbraw/zinc/43/59/99/387435999.db2.gz	BKMCMNGQUNIPKY-UHFFFAOYSA-N	-1	3	226.188	1.059	10	5		BDBEHM
Nc1cc([N+](=O)[O-])cc([O-])c1OC(F)F	ZINC000575723490	387445939	/nfs/dbraw/zinc/44/59/39/387445939.db2.gz	ONZKGQTXZDTPBD-UHFFFAOYSA-N	-1	3	220.131	1.484	10	5		BDBEHM
C[C@H]1C[C@@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-]	ZINC000596107346	348440958	/nfs/dbraw/zinc/44/09/58/348440958.db2.gz	HHJFOHNQRTWUEN-FSPLSTOPSA-N	-1	3	209.205	1.516	10	5		BDBEHM
C[C@H]1C[C@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-]	ZINC000596107345	348440963	/nfs/dbraw/zinc/44/09/63/348440963.db2.gz	HHJFOHNQRTWUEN-CAHLUQPWSA-N	-1	3	209.205	1.516	10	5		BDBEHM
O=c1cc(OC(F)(F)F)c([N+](=O)[O-])c[n-]1	ZINC000238707249	361364455	/nfs/dbraw/zinc/36/44/55/361364455.db2.gz	JHCVIZBGYZIABU-UHFFFAOYSA-N	-1	3	224.094	1.594	10	5		BDBEHM
O=Cc1[n-]nc2cc(Cl)cc([N+](=O)[O-])c12	ZINC000014986137	386030656	/nfs/dbraw/zinc/03/06/56/386030656.db2.gz	IVOVYPDWDQYNKB-UHFFFAOYSA-N	-1	3	225.591	1.937	10	5		BDBEHM
O=c1[n-]cc(OC(F)(F)F)cc1[N+](=O)[O-]	ZINC000238709499	345115608	/nfs/dbraw/zinc/11/56/08/345115608.db2.gz	AVKPKIPACVZTNS-UHFFFAOYSA-N	-1	3	224.094	1.594	10	5		BDBEHM
NCc1cc(Br)c([O-])c([N+](=O)[O-])c1	ZINC000215799652	538110754	/nfs/dbraw/zinc/11/07/54/538110754.db2.gz	DFKJWJUMSZULPQ-UHFFFAOYSA-N	-1	3	247.048	1.522	10	5		BDBEHM
O=[N+]([O-])c1cc(CO)cc([O-])c1OC(F)F	ZINC000575662955	387270322	/nfs/dbraw/zinc/27/03/22/387270322.db2.gz	LVATZAOHTXGCMW-UHFFFAOYSA-N	-1	3	235.142	1.394	10	5		BDBEHM
Nc1cc([O-])cc([N+](=O)[O-])c1C(F)(F)F	ZINC000575728321	387464896	/nfs/dbraw/zinc/46/48/96/387464896.db2.gz	MZRPFNXFVWJTRL-UHFFFAOYSA-N	-1	3	222.122	1.901	10	5		BDBEHM
COCCNCc1ccc([N+](=O)[O-])c([O-])c1	ZINC000060942016	174335865	/nfs/dbraw/zinc/33/58/65/174335865.db2.gz	QUJWQYDUOHUZKN-UHFFFAOYSA-N	-1	3	226.232	1.036	10	5		BDBEHM
CCOc1cc(F)c([N+](=O)[O-])cc1[O-]	ZINC000149860757	343456053	/nfs/dbraw/zinc/45/60/53/343456053.db2.gz	BOEWFXFJUUKOAY-UHFFFAOYSA-N	-1	3	201.153	1.838	10	5		BDBEHM
N[C@@H](CC(F)F)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000575437699	387109981	/nfs/dbraw/zinc/10/99/81/387109981.db2.gz	PAOYGBVHUULGMX-ZETCQYMHSA-N	-1	3	232.186	1.955	10	5		BDBEHM
COC(=O)c1cc(F)c([N+](=O)[O-])cc1[O-]	ZINC000575714704	387428287	/nfs/dbraw/zinc/42/82/87/387428287.db2.gz	WFMZOZBUUSWWJZ-UHFFFAOYSA-N	-1	3	215.136	1.226	10	5		BDBEHM
COC(=O)c1c([O-])ccc(F)c1[N+](=O)[O-]	ZINC000575714273	387407142	/nfs/dbraw/zinc/40/71/42/387407142.db2.gz	OPJUNHOBGKPPPR-UHFFFAOYSA-N	-1	3	215.136	1.226	10	5		BDBEHM
Nc1c2cccc([N+](=O)[O-])c2oc1C(=O)[O-]	ZINC000584881477	343082442	/nfs/dbraw/zinc/08/24/42/343082442.db2.gz	JCVTWIYXRYBLSA-UHFFFAOYSA-N	-1	3	222.156	1.621	10	5		BDBEHM
O=Cc1n[n-]c2cc([N+](=O)[O-])cc(F)c12	ZINC000014984772	350474373	/nfs/dbraw/zinc/47/43/73/350474373.db2.gz	YGHOQPQUHRNRJT-UHFFFAOYSA-N	-1	3	209.136	1.423	10	5		BDBEHM
O=Cc1[n-]nc2cc([N+](=O)[O-])cc(F)c12	ZINC000014984772	350474374	/nfs/dbraw/zinc/47/43/74/350474374.db2.gz	YGHOQPQUHRNRJT-UHFFFAOYSA-N	-1	3	209.136	1.423	10	5		BDBEHM
O=[N+]([O-])c1cc(Cl)c(-n2cccn2)nc1[O-]	ZINC000584622056	358290130	/nfs/dbraw/zinc/29/01/30/358290130.db2.gz	NRRUYRAXXGFNCI-UHFFFAOYSA-N	-1	3	240.606	1.535	10	5		BDBEHM
CC(=O)Oc1[n-]nc2cc([N+](=O)[O-])ccc21	ZINC000575439020	387121370	/nfs/dbraw/zinc/12/13/70/387121370.db2.gz	QOMHJBRGEOXTLV-UHFFFAOYSA-N	-1	3	221.172	1.396	10	5		BDBEHM
CC(=O)Oc1n[n-]c2cc([N+](=O)[O-])ccc21	ZINC000575439020	387121374	/nfs/dbraw/zinc/12/13/74/387121374.db2.gz	QOMHJBRGEOXTLV-UHFFFAOYSA-N	-1	3	221.172	1.396	10	5		BDBEHM
CCOC(=O)c1cc([N+](=O)[O-])cc([O-])c1N	ZINC000575724966	387460408	/nfs/dbraw/zinc/46/04/08/387460408.db2.gz	OTXBQZHHJVXBQX-UHFFFAOYSA-N	-1	3	226.188	1.059	10	5		BDBEHM
CCOC(=O)c1cc([N+](=O)[O-])cc(N)c1[O-]	ZINC000575725863	398069672	/nfs/dbraw/zinc/06/96/72/398069672.db2.gz	WTDUPPWSLVNMLR-UHFFFAOYSA-N	-1	3	226.188	1.059	10	5		BDBEHM
Cc1cc([N-]S(C)(=O)=O)cc(C)c1[N+](=O)[O-]	ZINC000204803497	343593858	/nfs/dbraw/zinc/59/38/58/343593858.db2.gz	YRYPCYQOIFPZLG-UHFFFAOYSA-N	-1	3	244.272	1.583	10	5		BDBEHM
Nc1cc([N+](=O)[O-])cc(OC(F)F)c1[O-]	ZINC000575723188	387446306	/nfs/dbraw/zinc/44/63/06/387446306.db2.gz	LFFXKBBTXZMUKY-UHFFFAOYSA-N	-1	3	220.131	1.484	10	5		BDBEHM
Nc1c([N+](=O)[O-])cc([O-])cc1C(F)(F)F	ZINC000575728342	387465158	/nfs/dbraw/zinc/46/51/58/387465158.db2.gz	NDJJMLFJHLXYTN-UHFFFAOYSA-N	-1	3	222.122	1.901	10	5		BDBEHM
O=c1ccc([N+](=O)[O-])c(NC2CCOCC2)[n-]1	ZINC000118269742	347362309	/nfs/dbraw/zinc/36/23/09/347362309.db2.gz	MNVBEMDYYAXGNO-UHFFFAOYSA-N	-1	3	239.231	1.286	10	5		BDBEHM
Nc1cc([O-])c(OC(F)F)c([N+](=O)[O-])c1	ZINC000575723004	387446766	/nfs/dbraw/zinc/44/67/66/387446766.db2.gz	JMSQJTHKVMJQPE-UHFFFAOYSA-N	-1	3	220.131	1.484	10	5		BDBEHM
Cc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nc[nH]n1	ZINC000061844725	179206471	/nfs/dbraw/zinc/20/64/71/179206471.db2.gz	XBGVVPFOFOUUNQ-UHFFFAOYSA-N	-1	3	247.214	1.274	10	5		BDBEHM
O=c1cc([N+](=O)[O-])c(OC(F)(F)F)c[n-]1	ZINC000238704246	361364213	/nfs/dbraw/zinc/36/42/13/361364213.db2.gz	CWFCPUOPRJWVII-UHFFFAOYSA-N	-1	3	224.094	1.594	10	5		BDBEHM
CC(=O)Nc1c(C)cc([O-])cc1[N+](=O)[O-]	ZINC000039108931	372868609	/nfs/dbraw/zinc/86/86/09/372868609.db2.gz	RCRRWHLTIBBXKY-UHFFFAOYSA-N	-1	3	210.189	1.567	10	5		BDBEHM
O=[N+]([O-])c1cc(OC(F)F)cc([O-])c1CO	ZINC000575663425	387286987	/nfs/dbraw/zinc/28/69/87/387286987.db2.gz	ZFYHRWROHKXSMV-UHFFFAOYSA-N	-1	3	235.142	1.394	10	5		BDBEHM
O=C1[N-]c2cc(Cl)c([N+](=O)[O-])cc2C1=O	ZINC000084250314	644420507	/nfs/dbraw/zinc/42/05/07/644420507.db2.gz	HKYMIAGUHQPJDN-UHFFFAOYSA-N	-1	3	226.575	1.383	10	5		BDBEHM
O=[N+]([O-])c1ccc(-c2nnn[n-]2)c2c1NCCC2	ZINC000408494370	345377401	/nfs/dbraw/zinc/37/74/01/345377401.db2.gz	GYMZSKWHDWFVDU-UHFFFAOYSA-N	-1	3	246.230	1.133	10	5		BDBEHM
O=[N+]([O-])c1ccc(-c2nn[n-]n2)c2c1NCCC2	ZINC000408494370	345377403	/nfs/dbraw/zinc/37/74/03/345377403.db2.gz	GYMZSKWHDWFVDU-UHFFFAOYSA-N	-1	3	246.230	1.133	10	5		BDBEHM
C=CC(=O)Nc1ccc([O-])cc1[N+](=O)[O-]	ZINC000036999779	361592146	/nfs/dbraw/zinc/59/21/46/361592146.db2.gz	PJQDKBOWLCPLOP-UHFFFAOYSA-N	-1	3	208.173	1.425	10	5		BDBEHM
Cc1c2c(c(Cl)cc1[N+](=O)[O-])[N-]C(=O)C2=O	ZINC000757191767	582556437	/nfs/dbraw/zinc/55/64/37/582556437.db2.gz	UNKYONAFMPMJLA-UHFFFAOYSA-N	-1	3	240.602	1.691	10	5		BDBEHM