smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ncn(-c2ccc([N+](=O)[O-])cc2[O-])n1	ZINC000113673697	370452246	/nfs/dbraw/zinc/45/22/46/370452246.db2.gz	TXTSYANGGMJBIE-UHFFFAOYSA-N	-1	1	220.188	1.190	10	5		BDBEMM
O=C([O-])c1cc(O)c(OC(F)F)cc1[N+](=O)[O-]	ZINC000575662598	387197036	/nfs/dbraw/zinc/19/70/36/387197036.db2.gz	CKXXSPMAXYQIHD-UHFFFAOYSA-N	-1	1	249.125	1.600	10	5		BDBEMM
CCc1cccc2c([O-])c([N+](=O)[O-])nnc12	ZINC000575601134	387361860	/nfs/dbraw/zinc/36/18/60/387361860.db2.gz	JYVWGYMJZWMTAE-UHFFFAOYSA-N	-1	1	219.200	1.806	10	5		BDBEMM
Nc1ccc(OC(F)F)c([N+](=O)[O-])c1[O-]	ZINC000575722427	387444783	/nfs/dbraw/zinc/44/47/83/387444783.db2.gz	BWXDLTHJENBTHW-UHFFFAOYSA-N	-1	1	220.131	1.484	10	5		BDBEMM
CCOC(=O)c1cc(N)c([O-])cc1[N+](=O)[O-]	ZINC000575725574	387458623	/nfs/dbraw/zinc/45/86/23/387458623.db2.gz	RXUYYIYQSXFAQO-UHFFFAOYSA-N	-1	1	226.188	1.059	10	5		BDBEMM
O=[N+]([O-])c1cc([O-])c(CO)cc1Br	ZINC000575691470	387378771	/nfs/dbraw/zinc/37/87/71/387378771.db2.gz	MJQLKSPUOXWVJW-UHFFFAOYSA-N	-1	1	248.032	1.555	10	5		BDBEMM
Nc1c([O-])c(Br)ccc1[N+](=O)[O-]	ZINC000575720694	387443338	/nfs/dbraw/zinc/44/33/38/387443338.db2.gz	PTTAMLLNFNGSJV-UHFFFAOYSA-N	-1	1	233.021	1.645	10	5		BDBEMM
Nc1c(OC(F)F)c([O-])ccc1[N+](=O)[O-]	ZINC000575723252	387446195	/nfs/dbraw/zinc/44/61/95/387446195.db2.gz	NXKQAOKYTQBNJU-UHFFFAOYSA-N	-1	1	220.131	1.484	10	5		BDBEMM
COC(=O)Cc1cc([O-])cc([N+](=O)[O-])c1Cl	ZINC000575712956	387416449	/nfs/dbraw/zinc/41/64/49/387416449.db2.gz	SHGFZGMQRLIQOR-UHFFFAOYSA-N	-1	1	245.618	1.669	10	5		BDBEMM
COC(=O)Cc1cc(F)c([N+](=O)[O-])cc1[O-]	ZINC000575713906	387416915	/nfs/dbraw/zinc/41/69/15/387416915.db2.gz	KDNVNLUVZFNMOD-UHFFFAOYSA-N	-1	1	229.163	1.155	10	5		BDBEMM
CCOc1ccc([N+](=O)[O-])c(C=O)c1[O-]	ZINC000039099805	344801685	/nfs/dbraw/zinc/80/16/85/344801685.db2.gz	MYNCDHXTXUZFMC-UHFFFAOYSA-N	-1	1	211.173	1.512	10	5		BDBEMM
Cc1cccc(Nc2nc[n-]c(=O)c2[N+](=O)[O-])n1	ZINC000040584803	179158424	/nfs/dbraw/zinc/15/84/24/179158424.db2.gz	DDYKCZWVDWUJFR-UHFFFAOYSA-N	-1	1	247.214	1.125	10	5		BDBEMM
O=C([O-])c1cc(C(F)F)cc([N+](=O)[O-])c1O	ZINC000575668898	387323353	/nfs/dbraw/zinc/32/33/53/387323353.db2.gz	POCOZECHXHVCAS-UHFFFAOYSA-N	-1	1	233.126	1.936	10	5		BDBEMM
O=C([O-])c1cc([N+](=O)[O-])cc2[nH]nc(Cl)c21	ZINC000014983686	350226556	/nfs/dbraw/zinc/22/65/56/350226556.db2.gz	FIZPEEVUCXYLAP-UHFFFAOYSA-N	-1	1	241.590	1.823	10	5		BDBEMM
O=[N+]([O-])c1ccc([O-])c(-c2nnc[nH]2)c1	ZINC000253562302	182937293	/nfs/dbraw/zinc/93/72/93/182937293.db2.gz	DCURKCBKMLSOQO-UHFFFAOYSA-N	-1	1	206.161	1.086	10	5		BDBEMM
Nc1cc([N+](=O)[O-])c(OC(F)F)cc1[O-]	ZINC000575722744	387446131	/nfs/dbraw/zinc/44/61/31/387446131.db2.gz	FRGAMYUWBBQBSO-UHFFFAOYSA-N	-1	1	220.131	1.484	10	5		BDBEMM
Nc1c([O-])c([N+](=O)[O-])ccc1OC(F)F	ZINC000575723787	387447888	/nfs/dbraw/zinc/44/78/88/387447888.db2.gz	XCISLFXDXXIOST-UHFFFAOYSA-N	-1	1	220.131	1.484	10	5		BDBEMM
COC(=O)c1c([O-])cc([N+](=O)[O-])cc1F	ZINC000575713931	387416183	/nfs/dbraw/zinc/41/61/83/387416183.db2.gz	LNQKGABRFGAMSN-UHFFFAOYSA-N	-1	1	215.136	1.226	10	5		BDBEMM
Cn1nc2c3ccc([N+](=O)[O-])cc3[n-]cc-2c1=O	ZINC000053994956	387977058	/nfs/dbraw/zinc/97/70/58/387977058.db2.gz	LTBWWEGPMHPYGD-UHFFFAOYSA-N	-1	1	244.210	1.323	10	5		BDBEMM
COc1cc(C)c2ncc([N+](=O)[O-])c([O-])c2n1	ZINC000149248486	343424591	/nfs/dbraw/zinc/42/45/91/343424591.db2.gz	NMJFKEZAXZWRSK-UHFFFAOYSA-N	-1	1	235.199	1.561	10	5		BDBEMM
CCOC(=O)c1cc([O-])c(N)cc1[N+](=O)[O-]	ZINC000223958102	368366144	/nfs/dbraw/zinc/36/61/44/368366144.db2.gz	VQWVTUDKHQZFNL-UHFFFAOYSA-N	-1	1	226.188	1.059	10	5		BDBEMM
O=[N+]([O-])c1ccc(-c2ccc[nH]2)nc1O	ZINC000261492299	384329337	/nfs/dbraw/zinc/32/93/37/384329337.db2.gz	RTSRJMYOGUVOIQ-UHFFFAOYSA-N	-1	1	205.173	1.691	10	5		BDBEMM
O=c1[n-]c(-c2ccc[nH]2)ccc1[N+](=O)[O-]	ZINC000261492299	384329340	/nfs/dbraw/zinc/32/93/40/384329340.db2.gz	RTSRJMYOGUVOIQ-UHFFFAOYSA-N	-1	1	205.173	1.691	10	5		BDBEMM
Nc1ccc([O-])c([N+](=O)[O-])c1OC(F)F	ZINC000575723781	387447365	/nfs/dbraw/zinc/44/73/65/387447365.db2.gz	WYKXYDQSZXOJJY-UHFFFAOYSA-N	-1	1	220.131	1.484	10	5		BDBEMM
Nc1cc([O-])c(OC(F)(F)F)cc1[N+](=O)[O-]	ZINC000575727930	387465912	/nfs/dbraw/zinc/46/59/12/387465912.db2.gz	LKSOBAXCKSIAOX-UHFFFAOYSA-N	-1	1	238.121	1.781	10	5		BDBEMM
Cc1cc(=O)n(-c2cccc([N+](=O)[O-])c2)[n-]1	ZINC000100423117	178201180	/nfs/dbraw/zinc/20/11/80/178201180.db2.gz	KEQIAXAZLDYMQK-UHFFFAOYSA-N	-1	1	219.200	1.795	10	5		BDBEMM
Nc1[n-]c(=O)nc2oc3ccccc3c(=O)c12	ZINC000584635678	358320066	/nfs/dbraw/zinc/32/00/66/358320066.db2.gz	VAJYDSQYLMMLTM-UHFFFAOYSA-N	-1	1	229.195	1.024	10	5		BDBEMM
COC(=O)Cc1c([O-])ccc(F)c1[N+](=O)[O-]	ZINC000575713486	384857511	/nfs/dbraw/zinc/85/75/11/384857511.db2.gz	BLYGBSPPERUJLT-UHFFFAOYSA-N	-1	1	229.163	1.155	10	5		BDBEMM
O=c1[n-]c(-c2ccco2)ccc1[N+](=O)[O-]	ZINC000038325376	372533305	/nfs/dbraw/zinc/53/33/05/372533305.db2.gz	CWIJHYWGVNWIGO-UHFFFAOYSA-N	-1	1	206.157	1.543	10	5		BDBEMM
CCOC(=O)c1c(N)c([N+](=O)[O-])ccc1[O-]	ZINC000575724332	387436134	/nfs/dbraw/zinc/43/61/34/387436134.db2.gz	BFUPDVQYUKVJJH-UHFFFAOYSA-N	-1	1	226.188	1.059	10	5		BDBEMM
CCOc1cc(F)c([O-])cc1[N+](=O)[O-]	ZINC000575697901	387392750	/nfs/dbraw/zinc/39/27/50/387392750.db2.gz	RMTWULHKHZNLSY-UHFFFAOYSA-N	-1	1	201.153	1.838	10	5		BDBEMM
O=C([O-])c1cc([N+](=O)[O-])cc(O)c1C(F)F	ZINC000575668245	387325913	/nfs/dbraw/zinc/32/59/13/387325913.db2.gz	LSWIHMUKIFYZPE-UHFFFAOYSA-N	-1	1	233.126	1.936	10	5		BDBEMM
Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1[O-]	ZINC000575727917	387464840	/nfs/dbraw/zinc/46/48/40/387464840.db2.gz	LARGPZXDSZMQPI-UHFFFAOYSA-N	-1	1	222.122	1.901	10	5		BDBEMM
O=c1ccc([N+](=O)[O-])c(C(F)(F)Cl)[n-]1	ZINC000575433715	398327934	/nfs/dbraw/zinc/32/79/34/398327934.db2.gz	DSRQPLQONFPQKR-UHFFFAOYSA-N	-1	1	224.550	1.984	10	5		BDBEMM
COc1[n-]cc(Br)c(=O)c1[N+](=O)[O-]	ZINC000261506959	188087344	/nfs/dbraw/zinc/08/73/44/188087344.db2.gz	CYSUHSGNKATGGX-UHFFFAOYSA-N	-1	1	249.020	1.467	10	5		BDBEMM
Cc1ccc2c(c1)oc1nc(=O)[n-]c(N)c1c2=O	ZINC000584635532	358319208	/nfs/dbraw/zinc/31/92/08/358319208.db2.gz	VGYUIORGICLWCH-UHFFFAOYSA-N	-1	1	243.222	1.332	10	5		BDBEMM
O=[N+]([O-])c1cnc2ccc(Cl)nc2c1[O-]	ZINC000096032305	388805681	/nfs/dbraw/zinc/80/56/81/388805681.db2.gz	FURSTBLOQYSOEM-UHFFFAOYSA-N	-1	1	225.591	1.897	10	5		BDBEMM
COc1cnc(-c2ccc([N+](=O)[O-])cc2)[n-]c1=O	ZINC000118160204	537926401	/nfs/dbraw/zinc/92/64/01/537926401.db2.gz	MWCXJINGYQMPPI-UHFFFAOYSA-N	-1	1	247.210	1.354	10	5		BDBEMM
O=C1[N-]c2c(c(Cl)c([N+](=O)[O-])cc2F)C1=O	ZINC000035359214	641759586	/nfs/dbraw/zinc/75/95/86/641759586.db2.gz	YOLBAEPPDPLXSB-UHFFFAOYSA-N	-1	1	244.565	1.522	10	5		BDBEMM
Cc1cc([N+](=O)[O-])cc2c(=O)c(C(=O)O)c[n-]c12	ZINC000003677335	178271435	/nfs/dbraw/zinc/27/14/35/178271435.db2.gz	CBLIBHPROOZFEO-UHFFFAOYSA-N	-1	1	248.194	1.855	10	5		BDBEMM
Cc1cccc(Nc2nc[n-]c(=O)c2[N+](=O)[O-])c1	ZINC000040648527	179159343	/nfs/dbraw/zinc/15/93/43/179159343.db2.gz	OPXGZMBVXFCEPF-UHFFFAOYSA-N	-1	1	246.226	1.730	10	5		BDBEMM
O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1O	ZINC000168467314	355841213	/nfs/dbraw/zinc/84/12/13/355841213.db2.gz	NKALRCUMHHXJRN-UHFFFAOYSA-N	-1	1	217.564	1.652	10	5		BDBEMM
O=c1cc([N+](=O)[O-])cc(OC(F)(F)F)[n-]1	ZINC000238704350	361364365	/nfs/dbraw/zinc/36/43/65/361364365.db2.gz	VEKGTLCHIYLAKL-UHFFFAOYSA-N	-1	1	224.094	1.594	10	5		BDBEMM
O=[N+]([O-])c1cc(CO)c([O-])cc1OC(F)F	ZINC000575662966	384420303	/nfs/dbraw/zinc/42/03/03/384420303.db2.gz	MPDPGVGNIGLVMI-UHFFFAOYSA-N	-1	1	235.142	1.394	10	5		BDBEMM
O=C([O-])c1cc(O)c([N+](=O)[O-])cc1OC(F)F	ZINC000575662559	384420990	/nfs/dbraw/zinc/42/09/90/384420990.db2.gz	AQBFIIGHSXVRBK-UHFFFAOYSA-N	-1	1	249.125	1.600	10	5		BDBEMM
CCOC(=O)Cc1cc([O-])cc([N+](=O)[O-])c1	ZINC000260157697	385713678	/nfs/dbraw/zinc/71/36/78/385713678.db2.gz	RXTAYMUFRNOALE-UHFFFAOYSA-N	-1	1	225.200	1.406	10	5		BDBEMM
O=[N+]([O-])c1c(Br)ccc([O-])c1CO	ZINC000575691123	387366916	/nfs/dbraw/zinc/36/69/16/387366916.db2.gz	IKKBPLTYIOXYAL-UHFFFAOYSA-N	-1	1	248.032	1.555	10	5		BDBEMM
CCOc1c([O-])cc([N+](=O)[O-])cc1F	ZINC000575697858	387392444	/nfs/dbraw/zinc/39/24/44/387392444.db2.gz	PBRSFCLFPZMYBH-UHFFFAOYSA-N	-1	1	201.153	1.838	10	5		BDBEMM
O=C([O-])Cc1[nH]nc2ccc([N+](=O)[O-])cc21	ZINC000078326297	388680972	/nfs/dbraw/zinc/68/09/72/388680972.db2.gz	CRZFFTGXDWPTSL-UHFFFAOYSA-N	-1	1	221.172	1.098	10	5		BDBEMM
Cc1cc2c(c([N+](=O)[O-])c1)[N-]C(=O)C2=O	ZINC000031866885	178283822	/nfs/dbraw/zinc/28/38/22/178283822.db2.gz	NTRUHSPDGGDANP-UHFFFAOYSA-N	-1	1	206.157	1.038	10	5		BDBEMM
CCOC(=O)c1cc(N)cc([N+](=O)[O-])c1[O-]	ZINC000575726045	387461032	/nfs/dbraw/zinc/46/10/32/387461032.db2.gz	XJPSTXZOCSFCDZ-UHFFFAOYSA-N	-1	1	226.188	1.059	10	5		BDBEMM
Nc1c([N+](=O)[O-])ccc([O-])c1OC(F)(F)F	ZINC000575729095	387469195	/nfs/dbraw/zinc/46/91/95/387469195.db2.gz	VPWLVQBXALUTQO-UHFFFAOYSA-N	-1	1	238.121	1.781	10	5		BDBEMM
Cc1ccc(-c2n[n-]c(=S)[nH]2)cc1[N+](=O)[O-]	ZINC000008550911	178336064	/nfs/dbraw/zinc/33/60/64/178336064.db2.gz	FYYIEXZHECEECC-UHFFFAOYSA-N	-1	1	236.256	1.977	10	5		BDBEMM
Cc1[n-]c(Cl)nc(=NN(C)C)c1[N+](=O)[O-]	ZINC000234248766	343747139	/nfs/dbraw/zinc/74/71/39/343747139.db2.gz	CHPGRCRTPPARLP-UHFFFAOYSA-N	-1	1	231.643	1.235	10	5		BDBEMM
COC(=O)c1cc([O-])cc([N+](=O)[O-])c1F	ZINC000238372849	360978474	/nfs/dbraw/zinc/97/84/74/360978474.db2.gz	DOVPXJVCOIJLTD-UHFFFAOYSA-N	-1	1	215.136	1.226	10	5		BDBEMM
COC(=O)c1cc([N+](=O)[O-])cc(OC)c1[O-]	ZINC000034447952	385233160	/nfs/dbraw/zinc/23/31/60/385233160.db2.gz	VXTDGDVHINDLCV-UHFFFAOYSA-N	-1	1	227.172	1.096	10	5		BDBEMM
Nc1ccc([O-])c(C(F)(F)F)c1[N+](=O)[O-]	ZINC000575727922	387465981	/nfs/dbraw/zinc/46/59/81/387465981.db2.gz	LEAMQNKXAYKWDF-UHFFFAOYSA-N	-1	1	222.122	1.901	10	5		BDBEMM
CCOC(=O)Cc1c([O-])cccc1[N+](=O)[O-]	ZINC000260118414	398047084	/nfs/dbraw/zinc/04/70/84/398047084.db2.gz	PVKNCVFXRMDMAQ-UHFFFAOYSA-N	-1	1	225.200	1.406	10	5		BDBEMM
Cc1c2c(c(F)cc1[N+](=O)[O-])[N-]C(=O)C2=O	ZINC000757192845	586435993	/nfs/dbraw/zinc/43/59/93/586435993.db2.gz	WDHDQGCSJXKMNR-UHFFFAOYSA-N	-1	1	224.147	1.177	10	5		BDBEMM
CCOC(=O)c1[n-]nc2cc([N+](=O)[O-])ccc21	ZINC000169380391	360535180	/nfs/dbraw/zinc/53/51/80/360535180.db2.gz	MNWCFTNPNNDPHS-UHFFFAOYSA-N	-1	1	235.199	1.648	10	5		BDBEMM
COC(=O)Cc1c([O-])cccc1[N+](=O)[O-]	ZINC000238383037	360988943	/nfs/dbraw/zinc/98/89/43/360988943.db2.gz	MMTQNYQKOSHXCQ-UHFFFAOYSA-N	-1	1	211.173	1.016	10	5		BDBEMM
Cc1ccc(C)c2c([O-])c([N+](=O)[O-])nnc12	ZINC000575601140	387362278	/nfs/dbraw/zinc/36/22/78/387362278.db2.gz	KCBOGESWDFTEFL-UHFFFAOYSA-N	-1	1	219.200	1.860	10	5		BDBEMM
O=C([O-])c1c2cn[nH]c2ccc1[N+](=O)[O-]	ZINC000042689704	388102644	/nfs/dbraw/zinc/10/26/44/388102644.db2.gz	FUGVNHRNQGDTSP-UHFFFAOYSA-N	-1	1	207.145	1.169	10	5		BDBEMM
CCOC(=O)c1cc([N+](=O)[O-])c(N)cc1[O-]	ZINC000299889213	170292877	/nfs/dbraw/zinc/29/28/77/170292877.db2.gz	GBHODEHCQHNHIR-UHFFFAOYSA-N	-1	1	226.188	1.059	10	5		BDBEMM
CCOC(=O)c1nc2cc([N+](=O)[O-])ccc2[n-]1	ZINC000071778153	170307615	/nfs/dbraw/zinc/30/76/15/170307615.db2.gz	UTHOELAKGYBOIJ-UHFFFAOYSA-N	-1	1	235.199	1.648	10	5		BDBEMM
O=C1[N-]c2c(c(F)c([N+](=O)[O-])cc2F)C1=O	ZINC000757188912	586435225	/nfs/dbraw/zinc/43/52/25/586435225.db2.gz	LZELEGYWAPHLGZ-UHFFFAOYSA-N	-1	1	228.110	1.008	10	5		BDBEMM
O=[N+]([O-])c1cc([O-])c(OC(F)F)c(CO)c1	ZINC000575662574	387194900	/nfs/dbraw/zinc/19/49/00/387194900.db2.gz	BIMHKUFCBPDFPR-UHFFFAOYSA-N	-1	1	235.142	1.394	10	5		BDBEMM
O=Cc1cc([O-])cc([N+](=O)[O-])c1OC(F)F	ZINC000575663026	387270364	/nfs/dbraw/zinc/27/03/64/387270364.db2.gz	PKXGSQVIHPCIQW-UHFFFAOYSA-N	-1	1	233.126	1.714	10	5		BDBEMM
O=C([O-])c1cc(O)c(C(F)F)c([N+](=O)[O-])c1	ZINC000575668834	387321555	/nfs/dbraw/zinc/32/15/55/387321555.db2.gz	OMMPZZFNLVSNAL-UHFFFAOYSA-N	-1	1	233.126	1.936	10	5		BDBEMM
Nc1cc(OC(F)F)cc([N+](=O)[O-])c1[O-]	ZINC000575723664	387448209	/nfs/dbraw/zinc/44/82/09/387448209.db2.gz	SHRVQJMDBYTEMT-UHFFFAOYSA-N	-1	1	220.131	1.484	10	5		BDBEMM
O=c1c(OC(F)(F)F)c[n-]cc1[N+](=O)[O-]	ZINC000238726461	344996326	/nfs/dbraw/zinc/99/63/26/344996326.db2.gz	DIDYWFUTHKVJCK-UHFFFAOYSA-N	-1	1	224.094	1.594	10	5		BDBEMM
O=C([O-])c1cc(OC(F)F)c(O)c([N+](=O)[O-])c1	ZINC000575663215	384422750	/nfs/dbraw/zinc/42/27/50/384422750.db2.gz	TULFOKNPRFDODP-UHFFFAOYSA-N	-1	1	249.125	1.600	10	5		BDBEMM
O=[N+]([O-])c1cc(Br)cc([O-])c1CO	ZINC000575691623	387379202	/nfs/dbraw/zinc/37/92/02/387379202.db2.gz	PBIFWSXGOZHHBC-UHFFFAOYSA-N	-1	1	248.032	1.555	10	5		BDBEMM
O=[N+]([O-])c1cc([O-])cc(OC(F)F)c1	ZINC000238708209	345114880	/nfs/dbraw/zinc/11/48/80/345114880.db2.gz	WROBLEYAYDJFSV-UHFFFAOYSA-N	-1	1	205.116	1.902	10	5		BDBEMM
O=Cc1cc([O-])c(OC(F)F)c([N+](=O)[O-])c1	ZINC000575662671	387199150	/nfs/dbraw/zinc/19/91/50/387199150.db2.gz	GJHBRWJSISENQL-UHFFFAOYSA-N	-1	1	233.126	1.714	10	5		BDBEMM
COc1cccc2c([O-])c([N+](=O)[O-])nnc12	ZINC000575600987	387362159	/nfs/dbraw/zinc/36/21/59/387362159.db2.gz	CBJRXASGYWEJBE-UHFFFAOYSA-N	-1	1	221.172	1.252	10	5		BDBEMM
Nc1c([O-])ccc([N+](=O)[O-])c1OC(F)(F)F	ZINC000575727959	387465080	/nfs/dbraw/zinc/46/50/80/387465080.db2.gz	MBCKGVPKWUCWST-UHFFFAOYSA-N	-1	1	238.121	1.781	10	5		BDBEMM
Cc1cc(O)c([N+](=O)[O-])cc1[S@](=O)[O-]	ZINC000675062632	640951062	/nfs/dbraw/zinc/95/10/62/640951062.db2.gz	YVRGWYJIEGAKIN-UHFFFAOYSA-N	-1	1	217.202	1.189	10	5		BDBEMM
COC(=O)[N-]C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000038867795	343407763	/nfs/dbraw/zinc/40/77/63/343407763.db2.gz	QVMUCBOHBMFYSV-UHFFFAOYSA-N	-1	1	224.172	1.091	10	5		BDBEMM
CC(=O)c1nc2ccc([N+](=O)[O-])cc2[n-]1	ZINC000039310572	188291066	/nfs/dbraw/zinc/29/10/66/188291066.db2.gz	JZAPHKVAZSZGNL-UHFFFAOYSA-N	-1	1	205.173	1.674	10	5		BDBEMM
CC(=O)c1nc2cc([N+](=O)[O-])ccc2[n-]1	ZINC000039310572	188291068	/nfs/dbraw/zinc/29/10/68/188291068.db2.gz	JZAPHKVAZSZGNL-UHFFFAOYSA-N	-1	1	205.173	1.674	10	5		BDBEMM
CCOC(=O)c1c(N)ccc([O-])c1[N+](=O)[O-]	ZINC000575726073	387464179	/nfs/dbraw/zinc/46/41/79/387464179.db2.gz	YWWSOXRBWNTOMJ-UHFFFAOYSA-N	-1	1	226.188	1.059	10	5		BDBEMM
CCOc1ncc([N+](=O)[O-])c(=S)[n-]1	ZINC000095932865	388792535	/nfs/dbraw/zinc/79/25/35/388792535.db2.gz	DJFPLFQRPLTBFR-UHFFFAOYSA-N	-1	1	201.207	1.072	10	5		BDBEMM
CC1CCN(c2nc[n-]c(=O)c2[N+](=O)[O-])CC1	ZINC000040612973	132348103	/nfs/dbraw/zinc/34/81/03/132348103.db2.gz	FQQFVRJFWWHHJJ-UHFFFAOYSA-N	-1	1	238.247	1.327	10	5		BDBEMM
CCC(=O)c1cc(C(=O)O)[n-]c1[N+](=O)[O-]	ZINC000082162667	168254887	/nfs/dbraw/zinc/25/48/87/168254887.db2.gz	BCRKIVCGXCZUHY-UHFFFAOYSA-N	-1	1	212.161	1.214	10	5		BDBEMM
CN(CC(=O)[O-])Cc1ccc(F)cc1[N+](=O)[O-]	ZINC000703192627	977159768	/nfs/dbraw/zinc/15/97/68/977159768.db2.gz	NCVZXVJHZFFXCB-UHFFFAOYSA-N	-1	1	242.206	1.250	10	5		BDBEMM
O=Cc1[n-]nc2cc(F)cc([N+](=O)[O-])c12	ZINC000014983890	350442876	/nfs/dbraw/zinc/44/28/76/350442876.db2.gz	SAJZULNHVWRVDE-UHFFFAOYSA-N	-1	1	209.136	1.423	10	5		BDBEMM
O=Cc1n[n-]c2cc(F)cc([N+](=O)[O-])c12	ZINC000014983890	350442877	/nfs/dbraw/zinc/44/28/77/350442877.db2.gz	SAJZULNHVWRVDE-UHFFFAOYSA-N	-1	1	209.136	1.423	10	5		BDBEMM
Nc1ccc(OC(F)(F)F)c([N+](=O)[O-])c1[O-]	ZINC000575728351	387465816	/nfs/dbraw/zinc/46/58/16/387465816.db2.gz	NLMXHWZTFGKDGX-UHFFFAOYSA-N	-1	1	238.121	1.781	10	5		BDBEMM
CC(C)Oc1c([O-])c(C=O)ccc1[N+](=O)[O-]	ZINC000261508505	167284894	/nfs/dbraw/zinc/28/48/94/167284894.db2.gz	UAUAXPNQUUKMEP-UHFFFAOYSA-N	-1	1	225.200	1.900	10	5		BDBEMM
Cc1cccc2c1oc1nc(=O)[n-]c(N)c1c2=O	ZINC000584635458	358319363	/nfs/dbraw/zinc/31/93/63/358319363.db2.gz	CDJJQFPIBHIZKH-UHFFFAOYSA-N	-1	1	243.222	1.332	10	5		BDBEMM
Cc1ccc2nnc([N+](=O)[O-])c([O-])c2c1	ZINC000575601143	387360918	/nfs/dbraw/zinc/36/09/18/387360918.db2.gz	KILCOEXKOFZZKF-UHFFFAOYSA-N	-1	1	205.173	1.552	10	5		BDBEMM
CCOc1c([O-])c(F)ccc1[N+](=O)[O-]	ZINC000575698027	387393099	/nfs/dbraw/zinc/39/30/99/387393099.db2.gz	YFANMMBLNKWRTI-UHFFFAOYSA-N	-1	1	201.153	1.838	10	5		BDBEMM
COC(=O)c1c([O-])cc(F)cc1[N+](=O)[O-]	ZINC000575714319	387408217	/nfs/dbraw/zinc/40/82/17/387408217.db2.gz	RCMFHBPSGVDQBU-UHFFFAOYSA-N	-1	1	215.136	1.226	10	5		BDBEMM
O=C1[N-]c2c(cc(Cl)cc2[N+](=O)[O-])C1=O	ZINC000031866903	411187732	/nfs/dbraw/zinc/18/77/32/411187732.db2.gz	XAZUEEVNKAGHKV-UHFFFAOYSA-N	-1	1	226.575	1.383	10	5		BDBEMM
O=C1[N-]c2c(cc(F)c(F)c2[N+](=O)[O-])C1=O	ZINC000057218842	188301718	/nfs/dbraw/zinc/30/17/18/188301718.db2.gz	GQCGUBSCJFKRMN-UHFFFAOYSA-N	-1	1	228.110	1.657	10	5		BDBEMM
CCc1c[n-]c(=O)c([N+](=O)[O-])c1Cl	ZINC000039117998	372872420	/nfs/dbraw/zinc/87/24/20/372872420.db2.gz	NMNLXWMDGFSZJI-UHFFFAOYSA-N	-1	1	202.597	1.499	10	5		BDBEMM
Nc1cc(OC(F)F)c([O-])c([N+](=O)[O-])c1	ZINC000575723215	384902074	/nfs/dbraw/zinc/90/20/74/384902074.db2.gz	MOKKOFUVQTVVNM-UHFFFAOYSA-N	-1	1	220.131	1.484	10	5		BDBEMM
O=[N+]([O-])c1cc([O-])c(CO)c(Br)c1	ZINC000575691480	387379238	/nfs/dbraw/zinc/37/92/38/387379238.db2.gz	MVKNOYUFSJKAKP-UHFFFAOYSA-N	-1	1	248.032	1.555	10	5		BDBEMM
Nc1cc([O-])c(OC(F)F)cc1[N+](=O)[O-]	ZINC000575722476	387446313	/nfs/dbraw/zinc/44/63/13/387446313.db2.gz	CQOWPUJVUCBECL-UHFFFAOYSA-N	-1	1	220.131	1.484	10	5		BDBEMM
Nc1c([O-])ccc([N+](=O)[O-])c1OC(F)F	ZINC000575723162	387446371	/nfs/dbraw/zinc/44/63/71/387446371.db2.gz	KDCVVAYDSPDTFC-UHFFFAOYSA-N	-1	1	220.131	1.484	10	5		BDBEMM
Cc1cccnc1Nc1nc[n-]c(=O)c1[N+](=O)[O-]	ZINC000040625957	179395351	/nfs/dbraw/zinc/39/53/51/179395351.db2.gz	DTKSHKRPKJWCQY-UHFFFAOYSA-N	-1	1	247.214	1.125	10	5		BDBEMM
O=[N+]([O-])c1cnc(OC(F)(F)F)cc1[O-]	ZINC000238708181	361364983	/nfs/dbraw/zinc/36/49/83/361364983.db2.gz	UJJGTNYYQWBSPA-UHFFFAOYSA-N	-1	1	224.094	1.594	10	5		BDBEMM
O=C([O-])c1cc(O)cc(C(F)F)c1[N+](=O)[O-]	ZINC000575669315	387328358	/nfs/dbraw/zinc/32/83/58/387328358.db2.gz	RZYWUNROGFFDCM-UHFFFAOYSA-N	-1	1	233.126	1.936	10	5		BDBEMM
COC(=O)c1c([O-])cc(Cl)cc1[N+](=O)[O-]	ZINC000575712155	387415326	/nfs/dbraw/zinc/41/53/26/387415326.db2.gz	DHRQFILKYZKBDY-UHFFFAOYSA-N	-1	1	231.591	1.740	10	5		BDBEMM
O=[N+]([O-])c1ccc([O-])c(-c2nnc(C3CC3)[nH]2)c1	ZINC000072237759	182937948	/nfs/dbraw/zinc/93/79/48/182937948.db2.gz	DJELQHQFWIKEEV-UHFFFAOYSA-N	-1	1	246.226	1.963	10	5		BDBEMM
O=c1[n-]c(Cl)nc2cccc([N+](=O)[O-])c12	ZINC000129316646	385779305	/nfs/dbraw/zinc/77/93/05/385779305.db2.gz	YSDOOAKOEQHGHG-UHFFFAOYSA-N	-1	1	225.591	1.897	10	5		BDBEMM
O=C([O-])c1cc(O)cc(OC(F)F)c1[N+](=O)[O-]	ZINC000575662804	387195550	/nfs/dbraw/zinc/19/55/50/387195550.db2.gz	JEDKNCVKSPHRHS-UHFFFAOYSA-N	-1	1	249.125	1.600	10	5		BDBEMM
COC(=O)c1n[n-]c2cccc([N+](=O)[O-])c21	ZINC000089195777	387259229	/nfs/dbraw/zinc/25/92/29/387259229.db2.gz	PWMGRNHFSLRZHD-UHFFFAOYSA-N	-1	1	221.172	1.258	10	5		BDBEMM
O=[N+]([O-])c1c([O-])cc(O)cc1Br	ZINC000575686335	387375317	/nfs/dbraw/zinc/37/53/17/387375317.db2.gz	MAOQXBVVPKAZAX-UHFFFAOYSA-N	-1	1	234.005	1.769	10	5		BDBEMM
Nc1ccc([O-])c([N+](=O)[O-])c1OC(F)(F)F	ZINC000575727398	387462328	/nfs/dbraw/zinc/46/23/28/387462328.db2.gz	DFRIZXDYMRUFCA-UHFFFAOYSA-N	-1	1	238.121	1.781	10	5		BDBEMM
COC(=O)c1c([O-])cc([N+](=O)[O-])cc1Cl	ZINC000575712154	387414821	/nfs/dbraw/zinc/41/48/21/387414821.db2.gz	DGNUALFMQQJPRV-UHFFFAOYSA-N	-1	1	231.591	1.740	10	5		BDBEMM
Nc1cc(C(F)(F)F)c([O-])cc1[N+](=O)[O-]	ZINC000575728261	387465474	/nfs/dbraw/zinc/46/54/74/387465474.db2.gz	MCUPVXQQSUMETH-UHFFFAOYSA-N	-1	1	222.122	1.901	10	5		BDBEMM
Nc1cc(OC(F)(F)F)cc([N+](=O)[O-])c1[O-]	ZINC000575729348	387469870	/nfs/dbraw/zinc/46/98/70/387469870.db2.gz	YCYXIBJYILJRKA-UHFFFAOYSA-N	-1	1	238.121	1.781	10	5		BDBEMM
Cc1ccc([N-]c2ncnc(N)c2[N+](=O)[O-])nc1	ZINC000040608804	178781867	/nfs/dbraw/zinc/78/18/67/178781867.db2.gz	PDOMQCZYXDWMNE-UHFFFAOYSA-N	-1	1	246.230	1.414	10	5		BDBEMM
COC(=O)c1cc([N+](=O)[O-])cc2n[n-]c(C=O)c21	ZINC000014983699	350439962	/nfs/dbraw/zinc/43/99/62/350439962.db2.gz	PFFXAVLEAVERBB-UHFFFAOYSA-N	-1	1	249.182	1.070	10	5		BDBEMM
O=Cc1[n-]nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c12	ZINC000014983674	363366538	/nfs/dbraw/zinc/36/65/38/363366538.db2.gz	MIBFEPPSRDBNHI-UHFFFAOYSA-N	-1	1	236.143	1.192	10	5		BDBEMM
O=Cc1n[n-]c2cc(Cl)cc([N+](=O)[O-])c12	ZINC000014986137	386030654	/nfs/dbraw/zinc/03/06/54/386030654.db2.gz	IVOVYPDWDQYNKB-UHFFFAOYSA-N	-1	1	225.591	1.937	10	5		BDBEMM
COC(=O)c1c([O-])c(F)ccc1[N+](=O)[O-]	ZINC000575714659	387428616	/nfs/dbraw/zinc/42/86/16/387428616.db2.gz	UADXREVGAKGGNP-UHFFFAOYSA-N	-1	1	215.136	1.226	10	5		BDBEMM
Nc1cc([N+](=O)[O-])c(C(F)(F)F)cc1[O-]	ZINC000575728508	387466382	/nfs/dbraw/zinc/46/63/82/387466382.db2.gz	QLFOXDAYGUJEFT-UHFFFAOYSA-N	-1	1	222.122	1.901	10	5		BDBEMM
CC(C)Oc1[n-]cnc(=NN(C)C)c1[N+](=O)[O-]	ZINC000040628883	167316330	/nfs/dbraw/zinc/31/63/30/167316330.db2.gz	HRUBWQYCXNUYEH-UHFFFAOYSA-N	-1	1	241.251	1.061	10	5		BDBEMM
O=[N+]([O-])c1c([O-])ccnc1OC(F)(F)F	ZINC000238728741	361372768	/nfs/dbraw/zinc/37/27/68/361372768.db2.gz	KSYOMEQNCMQDIR-UHFFFAOYSA-N	-1	1	224.094	1.594	10	5		BDBEMM
Nc1cc(OC(F)(F)F)c([O-])c([N+](=O)[O-])c1	ZINC000575728298	384916615	/nfs/dbraw/zinc/91/66/15/384916615.db2.gz	MSYBSBGOPRUCTI-UHFFFAOYSA-N	-1	1	238.121	1.781	10	5		BDBEMM
O=C([O-])c1cc2c[nH]nc2c([N+](=O)[O-])c1	ZINC000089197213	387259188	/nfs/dbraw/zinc/25/91/88/387259188.db2.gz	CDGGJTMWVYBDPJ-UHFFFAOYSA-N	-1	1	207.145	1.169	10	5		BDBEMM
O=C([O-])c1ccc(OC(F)F)c(O)c1[N+](=O)[O-]	ZINC000575662998	387270598	/nfs/dbraw/zinc/27/05/98/387270598.db2.gz	OAOHHDCHZPRQCZ-UHFFFAOYSA-N	-1	1	249.125	1.600	10	5		BDBEMM
CCOC(=O)c1c(N)c([O-])ccc1[N+](=O)[O-]	ZINC000575725576	387458670	/nfs/dbraw/zinc/45/86/70/387458670.db2.gz	SCMOFJWLCROXBP-UHFFFAOYSA-N	-1	1	226.188	1.059	10	5		BDBEMM
CCOC(=O)c1c(N)cc([O-])cc1[N+](=O)[O-]	ZINC000575724970	387459951	/nfs/dbraw/zinc/45/99/51/387459951.db2.gz	OXJQOLXSXHVLPB-UHFFFAOYSA-N	-1	1	226.188	1.059	10	5		BDBEMM
Nc1c([O-])ccc([N+](=O)[O-])c1C(F)(F)F	ZINC000575729187	387469962	/nfs/dbraw/zinc/46/99/62/387469962.db2.gz	WJVMZFGYUSXRFD-UHFFFAOYSA-N	-1	1	222.122	1.901	10	5		BDBEMM
COC(=O)c1cc(Cl)c([N+](=O)[O-])cc1[O-]	ZINC000169276863	360046280	/nfs/dbraw/zinc/04/62/80/360046280.db2.gz	WUXPEPYEPMLPOK-UHFFFAOYSA-N	-1	1	231.591	1.740	10	5		BDBEMM
CCOc1c([O-])cc(F)cc1[N+](=O)[O-]	ZINC000238257797	360762656	/nfs/dbraw/zinc/76/26/56/360762656.db2.gz	ALHIPKJCNCQZPU-UHFFFAOYSA-N	-1	1	201.153	1.838	10	5		BDBEMM
O=[N+]([O-])c1cc([O-])cc(OC(F)F)c1CO	ZINC000575662772	387199992	/nfs/dbraw/zinc/19/99/92/387199992.db2.gz	HLZZEQXIPPYMAO-UHFFFAOYSA-N	-1	1	235.142	1.394	10	5		BDBEMM
Nc1cc([N+](=O)[O-])c(OC(F)(F)F)cc1[O-]	ZINC000575728519	387465807	/nfs/dbraw/zinc/46/58/07/387465807.db2.gz	QQVBMNLVLCBTMQ-UHFFFAOYSA-N	-1	1	238.121	1.781	10	5		BDBEMM
O=C([O-])/C=C\c1cc([N+](=O)[O-])ccc1O	ZINC000095935197	388792046	/nfs/dbraw/zinc/79/20/46/388792046.db2.gz	PJUYGYRWUMRDEI-RJRFIUFISA-N	-1	1	209.157	1.398	10	5		BDBEMM
Nc1cc(Br)c([O-])cc1[N+](=O)[O-]	ZINC000059484318	398074803	/nfs/dbraw/zinc/07/48/03/398074803.db2.gz	LRZYNDRFPHFWHY-UHFFFAOYSA-N	-1	1	233.021	1.645	10	5		BDBEMM
O=[N+]([O-])c1cc([O-])cnc1OC(F)(F)F	ZINC000238670704	361174936	/nfs/dbraw/zinc/17/49/36/361174936.db2.gz	KFJYIQRARLUJET-UHFFFAOYSA-N	-1	1	224.094	1.594	10	5		BDBEMM
COc1cc([N+](=O)[O-])cc(/C=C/CO)c1[O-]	ZINC000040545464	175017842	/nfs/dbraw/zinc/01/78/42/175017842.db2.gz	XLODYYSQASFKFO-NSCUHMNNSA-N	-1	1	225.200	1.315	10	5		BDBEMM
O=c1cc[n-]n1-c1ccc([N+](=O)[O-])cc1	ZINC000162490861	371697166	/nfs/dbraw/zinc/69/71/66/371697166.db2.gz	DWZHKXYGTISQMB-UHFFFAOYSA-N	-1	1	205.173	1.317	10	5		BDBEMM
COC(=O)Cc1ccc([O-])cc1[N+](=O)[O-]	ZINC000141585009	372987169	/nfs/dbraw/zinc/98/71/69/372987169.db2.gz	HPENIXPTZDLZMQ-UHFFFAOYSA-N	-1	1	211.173	1.016	10	5		BDBEMM
Nc1ccc([O-])c(Br)c1[N+](=O)[O-]	ZINC000575721094	387442446	/nfs/dbraw/zinc/44/24/46/387442446.db2.gz	WNBQGISNNOZEQS-UHFFFAOYSA-N	-1	1	233.021	1.645	10	5		BDBEMM
O=c1cc[n-]n1-c1ccccc1[N+](=O)[O-]	ZINC000167262891	346224102	/nfs/dbraw/zinc/22/41/02/346224102.db2.gz	QGAQIVMKYNXQHI-UHFFFAOYSA-N	-1	1	205.173	1.486	10	5		BDBEMM
O=[N+]([O-])c1cc(CO)c([O-])c(OC(F)F)c1	ZINC000575663023	387270480	/nfs/dbraw/zinc/27/04/80/387270480.db2.gz	PCSKUNNEBGUXRL-UHFFFAOYSA-N	-1	1	235.142	1.394	10	5		BDBEMM
COC(=O)Cc1cc([O-])cc([N+](=O)[O-])c1F	ZINC000575714347	387409648	/nfs/dbraw/zinc/40/96/48/387409648.db2.gz	SUJQKNZEKTZNAG-UHFFFAOYSA-N	-1	1	229.163	1.155	10	5		BDBEMM
Nc1c([O-])c(C(F)(F)F)ccc1[N+](=O)[O-]	ZINC000575728320	387465446	/nfs/dbraw/zinc/46/54/46/387465446.db2.gz	MZMWKFUKTQCGFC-UHFFFAOYSA-N	-1	1	222.122	1.901	10	5		BDBEMM
O=c1[n-]ccc(Br)c1[N+](=O)[O-]	ZINC000307028202	351436216	/nfs/dbraw/zinc/43/62/16/351436216.db2.gz	MNEFANNHKMSSBA-UHFFFAOYSA-N	-1	1	218.994	1.458	10	5		BDBEMM
O=Cc1cc([N+](=O)[O-])cc([O-])c1OC(F)F	ZINC000575662660	387199634	/nfs/dbraw/zinc/19/96/34/387199634.db2.gz	FTPPDIRGTIXGFZ-UHFFFAOYSA-N	-1	1	233.126	1.714	10	5		BDBEMM
CC(=O)c1nc2cccc([N+](=O)[O-])c2[n-]1	ZINC000089195000	387259983	/nfs/dbraw/zinc/25/99/83/387259983.db2.gz	XNUQTKNOQOXMRC-UHFFFAOYSA-N	-1	1	205.173	1.674	10	5		BDBEMM
Cc1ccccc1Nc1nc[n-]c(=O)c1[N+](=O)[O-]	ZINC000040648053	179308247	/nfs/dbraw/zinc/30/82/47/179308247.db2.gz	VDVWPZNXWLKWMC-UHFFFAOYSA-N	-1	1	246.226	1.730	10	5		BDBEMM