smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])nc2[nH]c1=O	ZINC000013755436	351337565	/nfs/dbraw/zinc/33/75/65/351337565.db2.gz	GDBMNBXUUXVCIS-UHFFFAOYSA-N	0	0	253.130	-0.160	10	5		CBBERN
C[C@@H]1CNCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC000095069619	351767657	/nfs/dbraw/zinc/76/76/57/351767657.db2.gz	CSIWLYFUHUVFNU-MRVPVSSYSA-N	0	0	286.313	-0.028	10	5		CBBERN
COC(=O)c1c([N+](=O)[O-])cnn1CCN1CCOCC1	ZINC000166470119	351986859	/nfs/dbraw/zinc/98/68/59/351986859.db2.gz	BNGOQEWZBOBHOV-UHFFFAOYSA-N	0	0	284.272	-0.090	10	5		CBBERN
O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CCc2ncnn2C1	ZINC000172002840	352020250	/nfs/dbraw/zinc/02/02/50/352020250.db2.gz	OOONEMSAKLCJJL-MRVPVSSYSA-N	0	0	291.271	-0.486	10	5		CBBERN
CN1CCO[C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1	ZINC000180554157	352095816	/nfs/dbraw/zinc/09/58/16/352095816.db2.gz	NAGKNQJKNIMHMD-SECBINFHSA-N	0	0	295.299	-0.368	10	5		CBBERN
Nc1nc(NC(=O)C(F)(F)F)nc2nnc([N+](=O)[O-])n21	ZINC000227149434	352255643	/nfs/dbraw/zinc/25/56/43/352255643.db2.gz	RWNCBMWTMXYUID-UHFFFAOYSA-N	0	0	292.137	-0.490	10	5		CBBERN
CO[C@H]1C[C@@H](CO)N(c2ncc([N+](=O)[O-])cn2)C1	ZINC000310855853	352762609	/nfs/dbraw/zinc/76/26/09/352762609.db2.gz	MYTSEQPMKDOIMN-CBAPKCEASA-N	0	0	254.246	-0.029	10	5		CBBERN
O=C1CS(=O)(=O)c2ccc([N+](=O)[O-])cc2CN1	ZINC000584640447	355034131	/nfs/dbraw/zinc/03/41/31/355034131.db2.gz	JHGSSLURSQMDSY-UHFFFAOYSA-N	0	0	256.239	-0.002	10	5		CBBERN
CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1ncc([N+](=O)[O-])cn1	ZINC000596436995	355356684	/nfs/dbraw/zinc/35/66/84/355356684.db2.gz	VDFJQGYNGJAIOA-YUMQZZPRSA-N	0	0	288.285	-0.391	10	5		CBBERN
CO[C@H]1CS(=O)(=O)C[C@H]1Nc1c([N+](=O)[O-])ncn1C	ZINC000596436543	355356744	/nfs/dbraw/zinc/35/67/44/355356744.db2.gz	SRJBVHXUVGLQTH-RQJHMYQMSA-N	0	0	290.301	-0.448	10	5		CBBERN
Cn1c(C(=O)N[C@H]2CCOC[C@H]2O)ccc1[N+](=O)[O-]	ZINC000600584635	355557949	/nfs/dbraw/zinc/55/79/49/355557949.db2.gz	JRSHDDSNJYQVJR-IONNQARKSA-N	0	0	269.257	-0.187	10	5		CBBERN
O=C(N[C@@H]1CCOC[C@H]1O)c1cc([N+](=O)[O-])c[nH]c1=O	ZINC000600839104	355568632	/nfs/dbraw/zinc/56/86/32/355568632.db2.gz	HMMAHXJUMUETSV-RKDXNWHRSA-N	0	0	283.240	-0.425	10	5		CBBERN
O=C(N[C@@H]1CCOC[C@@H]1O)c1cc([N+](=O)[O-])c[nH]c1=O	ZINC000600839099	355568807	/nfs/dbraw/zinc/56/88/07/355568807.db2.gz	HMMAHXJUMUETSV-BDAKNGLRSA-N	0	0	283.240	-0.425	10	5		CBBERN
Cn1cnc(S(=O)(=O)N2CCOCC2)c1[N+](=O)[O-]	ZINC000006184647	170181298	/nfs/dbraw/zinc/18/12/98/170181298.db2.gz	WGRYDUVXOKCUDL-UHFFFAOYSA-N	0	0	276.274	-0.651	10	5		CBBERN
O=C(Cn1ccnc1[N+](=O)[O-])NC[C@@H](O)C(F)(F)F	ZINC000013909395	170607580	/nfs/dbraw/zinc/60/75/80/170607580.db2.gz	BTLNRJMECFTISR-RXMQYKEDSA-N	0	0	282.178	-0.169	10	5		CBBERN
C[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])C(N)=O	ZINC000035149171	172011728	/nfs/dbraw/zinc/01/17/28/172011728.db2.gz	GFXKPEXFRCEPKI-YFKPBYRVSA-N	0	0	252.230	-0.021	10	5		CBBERN
Cc1noc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1	ZINC000038034834	174033256	/nfs/dbraw/zinc/03/32/56/174033256.db2.gz	HWBKIACPBJWDKT-VIFPVBQESA-N	0	0	282.260	-0.367	10	5		CBBERN
Cc1ncc([N+](=O)[O-])n1CCn1cc(CCO)nn1	ZINC000040379134	174250287	/nfs/dbraw/zinc/25/02/87/174250287.db2.gz	LPVJKQWTXUWECT-UHFFFAOYSA-N	0	0	266.261	-0.074	10	5		CBBERN
NN=c1nc[nH]c(NCCN2CCOCC2)c1[N+](=O)[O-]	ZINC000040656804	174365549	/nfs/dbraw/zinc/36/55/49/174365549.db2.gz	DUHNBZNQWCGEMZ-UHFFFAOYSA-N	0	0	283.292	-0.586	10	5		CBBERN
O=[N+]([O-])c1ccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@@H]2O)cc1	ZINC000044787387	175254317	/nfs/dbraw/zinc/25/43/17/175254317.db2.gz	MLJYKRYCCUGBBV-RCWTZXSCSA-N	0	0	271.225	-0.587	10	5		CBBERN
Nc1ccc(N[C@@H]2CCOC[C@H]2O)nc1[N+](=O)[O-]	ZINC000599176043	420491475	/nfs/dbraw/zinc/49/14/75/420491475.db2.gz	IHAUEMTZKBPKRV-HTQZYQBOSA-N	0	0	254.246	0.134	10	5		CBBERN
COc1ccc(S(=O)(=O)N2CC(O)C2)c([N+](=O)[O-])c1	ZINC000062809663	525017662	/nfs/dbraw/zinc/01/76/62/525017662.db2.gz	BAXLOYHLJLNGBP-UHFFFAOYSA-N	0	0	288.281	-0.031	10	5		CBBERN
O=[N+]([O-])C[C@]1(O)CO[C@H](OCc2ccccc2)[C@@H](O)[C@H]1O	ZINC000255987045	527318954	/nfs/dbraw/zinc/31/89/54/527318954.db2.gz	MCEJVWPYHIIEJJ-RNJOBUHISA-N	0	0	299.279	-0.711	10	5		CBBERN
Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](O)C1	ZINC000061713785	527505156	/nfs/dbraw/zinc/50/51/56/527505156.db2.gz	HQPFVJNUVUQAOR-MRVPVSSYSA-N	0	0	287.297	-0.068	10	5		CBBERN
NC(=O)C[C@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000037668521	656003231	/nfs/dbraw/zinc/00/32/31/656003231.db2.gz	UNLORTLPVCWUDO-VIFPVBQESA-N	0	0	266.257	-0.586	10	5		CBBERN
C[N+]1(CC2=C(C(=O)[O-])N3C(=O)[C@H](N)[C@@H]3SC2)CCCC1	ZINC000038316471	717126183	/nfs/dbraw/zinc/12/61/83/717126183.db2.gz	IIVPIDBZUUAWTF-CABZTGNLSA-O	0	0	298.388	-0.192	10	5		CBBERN
O=[N+]([O-])c1cc(S(=O)(=O)NCO)ccc1NCO	ZINC000085344915	179028105	/nfs/dbraw/zinc/02/81/05/179028105.db2.gz	WFKUDMWUGIUDQZ-UHFFFAOYSA-N	0	0	277.258	-0.815	10	5		CBBERN
CCOC(=O)Cn1c(=O)c([N+](=O)[O-])cn(C)c1=O	ZINC000104288252	185956255	/nfs/dbraw/zinc/95/62/55/185956255.db2.gz	MOZMJAMXVBKYQI-UHFFFAOYSA-N	0	0	257.202	-0.982	10	5		CBBERN
CCn1cc([N+](=O)[O-])c(=O)n(CCC(C)=O)c1=O	ZINC000104289442	185956346	/nfs/dbraw/zinc/95/63/46/185956346.db2.gz	YNPQDIQHQXYFQD-UHFFFAOYSA-N	0	0	255.230	-0.083	10	5		CBBERN
O=C(NCC1CC(O)C1)c1cc([N+](=O)[O-])c[nH]c1=O	ZINC000091415675	351744907	/nfs/dbraw/zinc/74/49/07/351744907.db2.gz	YLHGODUINRKJSE-UHFFFAOYSA-N	0	0	267.241	-0.216	10	5		CBBERN
C[C@H]1O[C@H](Oc2ccccc2[N+](=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O	ZINC000106384572	351794063	/nfs/dbraw/zinc/79/40/63/351794063.db2.gz	SWRPIVXPHLYETN-UJDFUTJXSA-N	0	0	285.252	-0.199	10	5		CBBERN
CN1CCO[C@@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1	ZINC000171285968	352010351	/nfs/dbraw/zinc/01/03/51/352010351.db2.gz	MJJYUECIVUPWRW-NSHDSACASA-N	0	0	297.315	-0.372	10	5		CBBERN
O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCO[C@@H](CO)C1	ZINC000167510341	351989442	/nfs/dbraw/zinc/98/94/42/351989442.db2.gz	KKEFFQIHTFGAJT-MRVPVSSYSA-N	0	0	283.240	-0.471	10	5		CBBERN
O=C(Cn1ccc([N+](=O)[O-])n1)N1CC(NC(=O)C2CC2)C1	ZINC000189374715	352168059	/nfs/dbraw/zinc/16/80/59/352168059.db2.gz	MOTZXWDYSKSPAY-UHFFFAOYSA-N	0	0	293.283	-0.472	10	5		CBBERN
C[C@@H]1C(=O)NCCCN1C(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000191766039	352192815	/nfs/dbraw/zinc/19/28/15/352192815.db2.gz	VCEBCHJQOMXGET-SECBINFHSA-N	0	0	295.299	-0.082	10	5		CBBERN
O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000262476423	352423574	/nfs/dbraw/zinc/42/35/74/352423574.db2.gz	YWPSUHBZELVTBR-GZMMTYOYSA-N	0	0	281.268	-0.390	10	5		CBBERN
Cn1cnc([N+](=O)[O-])c1N1CCC[C@](O)(C(N)=O)C1	ZINC000336811886	353057740	/nfs/dbraw/zinc/05/77/40/353057740.db2.gz	OVRKGALMQNIQTB-SNVBAGLBSA-N	0	0	269.261	-0.855	10	5		CBBERN
CC[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)C(N)=O	ZINC000357777989	353606172	/nfs/dbraw/zinc/60/61/72/353606172.db2.gz	FZLMYIPTAMCCHB-ZETCQYMHSA-N	0	0	267.245	-0.434	10	5		CBBERN
COC(=O)C1(C(=O)OC)NC(=O)c2ccc([N+](=O)[O-])cc21	ZINC000584602552	355033525	/nfs/dbraw/zinc/03/35/25/355033525.db2.gz	OXTDWXUZBJCMDT-UHFFFAOYSA-N	0	0	294.219	-0.121	10	5		CBBERN
Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCNC1=O	ZINC000596440060	355356977	/nfs/dbraw/zinc/35/69/77/355356977.db2.gz	CWTASERENJVXGX-SSDOTTSWSA-N	0	0	252.230	-0.448	10	5		CBBERN
O=C(N[C@H]1CCOC[C@@H]1O)c1ccc([N+](=O)[O-])[nH]1	ZINC000600585746	355558647	/nfs/dbraw/zinc/55/86/47/355558647.db2.gz	KDVYYSYFYNMHHT-XPUUQOCRSA-N	0	0	255.230	-0.198	10	5		CBBERN
C[C@@H]1O[C@H](NNc2ccccc2[N+](=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000616591003	356101587	/nfs/dbraw/zinc/10/15/87/356101587.db2.gz	SCEXKFZOYXSGAZ-UHUARQJVSA-N	0	0	299.283	-0.661	10	5		CBBERN
Cn1ncc([N+](=O)[O-])c1C(=O)N1C[C@@H]2[C@H](C1)OCCN2C	ZINC000356927927	248301582	/nfs/dbraw/zinc/30/15/82/248301582.db2.gz	CIDDXFAHOVVUBI-ZJUUUORDSA-N	0	0	295.299	-0.517	10	5		CBBERN
O=C(COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCCO	ZINC000021126306	171298210	/nfs/dbraw/zinc/29/82/10/171298210.db2.gz	GAUGYPRPLBOQEQ-UHFFFAOYSA-N	0	0	285.212	-0.010	10	5		CBBERN
NC(=O)C[C@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1	ZINC000039001124	174160987	/nfs/dbraw/zinc/16/09/87/174160987.db2.gz	PATXTFRVMLXGAS-VIFPVBQESA-N	0	0	266.257	-0.586	10	5		CBBERN
CN1CCO[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C[C@H]21	ZINC000356912720	277123025	/nfs/dbraw/zinc/12/30/25/277123025.db2.gz	MTLQZRLNXXSOLJ-RKDXNWHRSA-N	0	0	281.272	-0.527	10	5		CBBERN
C[C@H](NC(=O)c1cc(N)c(F)cc1[N+](=O)[O-])C(N)=O	ZINC000050703094	525199492	/nfs/dbraw/zinc/19/94/92/525199492.db2.gz	MEOVSRKNMIZFBJ-BYPYZUCNSA-N	0	0	270.220	-0.080	10	5		CBBERN
Cc1nn(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)c(C)c1[N+](=O)[O-]	ZINC000120297608	582118036	/nfs/dbraw/zinc/11/80/36/582118036.db2.gz	DZJWXGHEJJSYTL-GMSGAONNSA-N	0	0	297.315	-0.060	10	5		CBBERN
NC(=O)C[C@@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000037668520	656003028	/nfs/dbraw/zinc/00/30/28/656003028.db2.gz	UNLORTLPVCWUDO-SECBINFHSA-N	0	0	266.257	-0.586	10	5		CBBERN
C[C@H](NC(=O)[C@H](N)CC(N)=O)c1cccc([N+](=O)[O-])c1	ZINC000037766570	656004169	/nfs/dbraw/zinc/00/41/69/656004169.db2.gz	HNFAMWLENGGYGE-OIBJUYFYSA-N	0	0	280.284	-0.025	10	5		CBBERN
CNC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000048644081	656016729	/nfs/dbraw/zinc/01/67/29/656016729.db2.gz	QKWLWJRDKBFRCF-NXEZZACHSA-N	0	0	269.257	-0.082	10	5		CBBERN
C[C@H](Cn1nc([N+](=O)[O-])nc1[N+](=O)[O-])O[N+](=O)[O-]	ZINC000097965971	230388510	/nfs/dbraw/zinc/38/85/10/230388510.db2.gz	FIDRJDRXCQOANW-GSVOUGTGSA-N	0	0	262.138	-0.309	10	5		CBBERN
Cc1nn(C)c(N2CCC[C@](O)(C(N)=O)C2)c1[N+](=O)[O-]	ZINC000312410743	201907986	/nfs/dbraw/zinc/90/79/86/201907986.db2.gz	FZKRRVYERQIUSC-LLVKDONJSA-N	0	0	283.288	-0.547	10	5		CBBERN
C[C@@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@H](O)[C@H]1O	ZINC000043505196	351441622	/nfs/dbraw/zinc/44/16/22/351441622.db2.gz	YILIDCGSXCGACV-VFZHNTCFSA-N	0	0	285.252	-0.199	10	5		CBBERN
O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)cc1	ZINC000242464073	352316063	/nfs/dbraw/zinc/31/60/63/352316063.db2.gz	DUYYBTBDYZXISX-VPOLOUISSA-N	0	0	271.225	-0.587	10	5		CBBERN
CN1CN(C)CC(C)(N2COC[C@@](C)([N+](=O)[O-])C2)C1	ZINC000584659429	355034965	/nfs/dbraw/zinc/03/49/65/355034965.db2.gz	JTAZTBIBKKXHMZ-LBPRGKRZSA-N	0	0	272.349	-0.095	10	5		CBBERN
Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCOC[C@H]1O	ZINC000600588358	355558682	/nfs/dbraw/zinc/55/86/82/355558682.db2.gz	ZBDANPUFLGBRSG-PSASIEDQSA-N	0	0	269.257	-0.187	10	5		CBBERN
O=C(N[C@H]1CCOC[C@H]1O)c1cc([N+](=O)[O-])c[nH]c1=O	ZINC000600839102	355568527	/nfs/dbraw/zinc/56/85/27/355568527.db2.gz	HMMAHXJUMUETSV-DTWKUNHWSA-N	0	0	283.240	-0.425	10	5		CBBERN
O=C(N[C@H]1CCOC[C@@H]1O)c1cc([N+](=O)[O-])c[nH]c1=O	ZINC000600839103	355568802	/nfs/dbraw/zinc/56/88/02/355568802.db2.gz	HMMAHXJUMUETSV-IUCAKERBSA-N	0	0	283.240	-0.425	10	5		CBBERN
NC(=O)[C@H]1COCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC000179733588	189217178	/nfs/dbraw/zinc/21/71/78/189217178.db2.gz	HYMLVDVBVDPCIU-VXGBXAGGSA-N	0	0	295.295	-0.186	10	5		CBBERN
O=[N+]([O-])c1cnc(NC[C@H](O)CN2CCOCC2)nc1	ZINC000302138963	201359161	/nfs/dbraw/zinc/35/91/61/201359161.db2.gz	CSAQXYDFHOOLIS-JTQLQIEISA-N	0	0	283.288	-0.510	10	5		CBBERN
O=C([O-])[C@@H]1CN(c2ncccc2[N+](=O)[O-])CC[NH2+]1	ZINC000095078140	304133296	/nfs/dbraw/zinc/13/32/96/304133296.db2.gz	OBVRHTCGIDXTKK-ZETCQYMHSA-N	0	0	252.230	-0.147	10	5		CBBERN
C[C@H]1CNCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC000095069620	372775374	/nfs/dbraw/zinc/77/53/74/372775374.db2.gz	CSIWLYFUHUVFNU-QMMMGPOBSA-N	0	0	286.313	-0.028	10	5		CBBERN
O=c1[n-][n+](-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])no1	ZINC000095116261	285104201	/nfs/dbraw/zinc/10/42/01/285104201.db2.gz	ZRDZXURFJAAJQT-UHFFFAOYSA-O	0	0	254.138	-0.132	10	5		CBBERN
C[C@@H]1NC(=O)CC[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000281770807	195374474	/nfs/dbraw/zinc/37/44/74/195374474.db2.gz	IWRCSNSSQJEDTK-CBAPKCEASA-N	0	0	281.272	-0.425	10	5		CBBERN
O=[N+]([O-])c1ccccc1O[C@@H]1OC[C@@H](O)[C@@H](O)[C@H]1O	ZINC000005260463	170081033	/nfs/dbraw/zinc/08/10/33/170081033.db2.gz	YPQCLGUTGDQYNI-WKJUBOCMSA-N	0	0	271.225	-0.587	10	5		CBBERN
CNC(=O)CN1c2ccc([N+](=O)[O-])cc2C(=O)C1=O	ZINC000019966782	170948153	/nfs/dbraw/zinc/94/81/53/170948153.db2.gz	DGXOKAFJZRIVQD-UHFFFAOYSA-N	0	0	263.209	-0.130	10	5		CBBERN
CO[C@@H]1C[C@@H](CO)N(C(=O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000284934109	196159541	/nfs/dbraw/zinc/15/95/41/196159541.db2.gz	VDKDAPZKGSYYHU-WCBMZHEXSA-N	0	0	284.272	-0.601	10	5		CBBERN
CC(C)(CO)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O	ZINC000035608000	172293841	/nfs/dbraw/zinc/29/38/41/172293841.db2.gz	QWVAJXMHAOPALG-UHFFFAOYSA-N	0	0	255.230	-0.216	10	5		CBBERN
NS(=O)(=O)CCNCc1ccccc1[N+](=O)[O-]	ZINC000036745006	172672403	/nfs/dbraw/zinc/67/24/03/172672403.db2.gz	AGXWZNIIYHWOQB-UHFFFAOYSA-N	0	0	259.287	-0.027	10	5		CBBERN
C[C@@H]1NC(=O)CC[C@@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000392961134	420207240	/nfs/dbraw/zinc/20/72/40/420207240.db2.gz	ITYXOJNCHDFBRI-YUMQZZPRSA-N	0	0	281.272	-0.425	10	5		CBBERN
Nc1ccc(N[C@H]2CCOC[C@@H]2O)nc1[N+](=O)[O-]	ZINC000599176046	420491598	/nfs/dbraw/zinc/49/15/98/420491598.db2.gz	IHAUEMTZKBPKRV-YUMQZZPRSA-N	0	0	254.246	0.134	10	5		CBBERN
COC(=O)c1ccc([N+](=O)[O-])c(N2CCO[C@@H](CO)C2)n1	ZINC000166815677	277161999	/nfs/dbraw/zinc/16/19/99/277161999.db2.gz	BFUZDPXCMNQDDK-MRVPVSSYSA-N	0	0	297.267	-0.026	10	5		CBBERN
NC(=O)[C@@]1(O)CCCN(c2ccncc2[N+](=O)[O-])C1	ZINC000336811082	295140170	/nfs/dbraw/zinc/14/01/70/295140170.db2.gz	KZMQFCBNAULEHP-LLVKDONJSA-N	0	0	266.257	-0.194	10	5		CBBERN
NC(=O)[C@]1(O)CCCN(c2ncccc2[N+](=O)[O-])C1	ZINC000284641408	295167623	/nfs/dbraw/zinc/16/76/23/295167623.db2.gz	OAGZNXUNFSZLDY-NSHDSACASA-N	0	0	266.257	-0.194	10	5		CBBERN
NC(=O)[C@]1(O)CCCN(c2ccncc2[N+](=O)[O-])C1	ZINC000336811083	303338110	/nfs/dbraw/zinc/33/81/10/303338110.db2.gz	KZMQFCBNAULEHP-NSHDSACASA-N	0	0	266.257	-0.194	10	5		CBBERN
CCS(=O)(=O)[N-][N+](=O)C1([N+](=O)[O-])COC(C)(C)OC1	ZINC000585087099	570322264	/nfs/dbraw/zinc/32/22/64/570322264.db2.gz	HRHMTKJGCCHDKI-UHFFFAOYSA-N	0	0	298.297	-0.625	10	5		CBBERN
C[C@@H]1CN(Cn2nccc2[N+](=O)[O-])C[C@@H](C(N)=O)O1	ZINC000120227473	582117764	/nfs/dbraw/zinc/11/77/64/582117764.db2.gz	GXFPEWDBEIWOPB-SFYZADRCSA-N	0	0	269.261	-0.677	10	5		CBBERN
C[C@@H]1O[C@H](Oc2ccccc2[N+](=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000031262355	351376838	/nfs/dbraw/zinc/37/68/38/351376838.db2.gz	SWRPIVXPHLYETN-KHIDNNIESA-N	0	0	285.252	-0.199	10	5		CBBERN
O=C(NC1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1)C1CC1	ZINC000189509463	352170212	/nfs/dbraw/zinc/17/02/12/352170212.db2.gz	AKCBNZVPTYMJOX-UHFFFAOYSA-N	0	0	279.256	-0.332	10	5		CBBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CN(C)CCO1	ZINC000194599561	352216628	/nfs/dbraw/zinc/21/66/28/352216628.db2.gz	HMXHFKVPBBELAA-JTQLQIEISA-N	0	0	297.315	-0.453	10	5		CBBERN
CO[C@@H]1C[C@@H](CO)N(C(=O)Cn2ccc([N+](=O)[O-])n2)C1	ZINC000312600320	352774968	/nfs/dbraw/zinc/77/49/68/352774968.db2.gz	YFPZLGMSXWBVNL-DTWKUNHWSA-N	0	0	284.272	-0.601	10	5		CBBERN
CN(CC(N)=O)c1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1	ZINC000302746645	352742863	/nfs/dbraw/zinc/74/28/63/352742863.db2.gz	SKHCRFXSQKRNHX-UHFFFAOYSA-N	0	0	287.297	-0.080	10	5		CBBERN
CN(CC(N)=O)c1ccc([N+](=O)[O-])cc1C(N)=O	ZINC000302768985	352743029	/nfs/dbraw/zinc/74/30/29/352743029.db2.gz	ZJLJIXQIHMSVAZ-UHFFFAOYSA-N	0	0	252.230	-0.385	10	5		CBBERN
CO[C@@H]1C[C@@H](CO)N(c2c([N+](=O)[O-])ncn2C)C1	ZINC000310851144	352762368	/nfs/dbraw/zinc/76/23/68/352762368.db2.gz	MEBPSBHXPOFFIN-JGVFFNPUSA-N	0	0	256.262	-0.086	10	5		CBBERN
CN1CN(C)CC(C)(N2COC[C@](C)([N+](=O)[O-])C2)C1	ZINC000584659424	355034883	/nfs/dbraw/zinc/03/48/83/355034883.db2.gz	JTAZTBIBKKXHMZ-GFCCVEGCSA-N	0	0	272.349	-0.095	10	5		CBBERN
CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1c([N+](=O)[O-])ncn1C	ZINC000596436541	355356921	/nfs/dbraw/zinc/35/69/21/355356921.db2.gz	SRJBVHXUVGLQTH-RNFRBKRXSA-N	0	0	290.301	-0.448	10	5		CBBERN
O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CCNC1=O	ZINC000597855685	355422560	/nfs/dbraw/zinc/42/25/60/355422560.db2.gz	MZNGKHSYORQVNB-SNVBAGLBSA-N	0	0	279.252	-0.022	10	5		CBBERN
Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCOC[C@@H]1O	ZINC000600588361	355558443	/nfs/dbraw/zinc/55/84/43/355558443.db2.gz	ZBDANPUFLGBRSG-WPRPVWTQSA-N	0	0	269.257	-0.187	10	5		CBBERN
Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCOC[C@@H]1O	ZINC000600588359	355558692	/nfs/dbraw/zinc/55/86/92/355558692.db2.gz	ZBDANPUFLGBRSG-SCZZXKLOSA-N	0	0	269.257	-0.187	10	5		CBBERN
NC(=O)[C@H]1COCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC000179733601	189216981	/nfs/dbraw/zinc/21/69/81/189216981.db2.gz	HYMLVDVBVDPCIU-NEPJUHHUSA-N	0	0	295.295	-0.186	10	5		CBBERN
NC(=O)[C@H]1COCCN1C(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000180195753	189242348	/nfs/dbraw/zinc/24/23/48/189242348.db2.gz	SXTOWEDMBAPKKJ-LLVKDONJSA-N	0	0	293.279	-0.150	10	5		CBBERN
O=[N+]([O-])C[C@@]1(O)CO[C@@H](OCc2ccccc2)[C@@H](O)[C@@H]1O	ZINC000044962942	372759796	/nfs/dbraw/zinc/75/97/96/372759796.db2.gz	MCEJVWPYHIIEJJ-WUHRBBMRSA-N	0	0	299.279	-0.711	10	5	in-vitro	CBBERN
Cc1n[nH]c(C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)c1[N+](=O)[O-]	ZINC000352197448	373101430	/nfs/dbraw/zinc/10/14/30/373101430.db2.gz	RUQFRNYSBAVTSV-DTWKUNHWSA-N	0	0	295.299	-0.219	10	5		CBBERN
COC(=O)CN1c2ccccc2[C@](O)(C[N+](=O)[O-])C1=O	ZINC000584658722	374376371	/nfs/dbraw/zinc/37/63/71/374376371.db2.gz	LULBYPCYEHIMSZ-GFCCVEGCSA-N	0	0	280.236	-0.330	10	5		CBBERN
O=C([O-])[C@H]1C[NH2+]CCN1c1ncccc1[N+](=O)[O-]	ZINC000072203752	304198750	/nfs/dbraw/zinc/19/87/50/304198750.db2.gz	NSSMXPNNDGOYHB-MRVPVSSYSA-N	0	0	252.230	-0.147	10	5		CBBERN
Cn1ncc([N+](=O)[O-])c1C(=O)N1C[C@@H]2OCCN(C)[C@H]2C1	ZINC000356927913	248302234	/nfs/dbraw/zinc/30/22/34/248302234.db2.gz	CIDDXFAHOVVUBI-UWVGGRQHSA-N	0	0	295.299	-0.517	10	5		CBBERN
O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H](O)CO)c1	ZINC000006926145	170255630	/nfs/dbraw/zinc/25/56/30/170255630.db2.gz	ZKRBRRQHPGGVFS-MRVPVSSYSA-N	0	0	276.270	-0.774	10	5		CBBERN
NC(=O)C[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000037623399	173575496	/nfs/dbraw/zinc/57/54/96/173575496.db2.gz	IKTQTWCTIOQSDI-MRVPVSSYSA-N	0	0	252.230	-0.264	10	5		CBBERN
O=[N+]([O-])C[C@]1(O)CO[C@@H](OCc2ccccc2)[C@@H](O)[C@@H]1O	ZINC000038304369	174139443	/nfs/dbraw/zinc/13/94/43/174139443.db2.gz	MCEJVWPYHIIEJJ-RVMXOQNASA-N	0	0	299.279	-0.711	10	5		CBBERN
Cc1ncc([N+](=O)[O-])n1CCn1cc(CO)nn1	ZINC000040380446	174250657	/nfs/dbraw/zinc/25/06/57/174250657.db2.gz	GVFLROSLXOQKRQ-UHFFFAOYSA-N	0	0	252.234	-0.116	10	5		CBBERN
NN=c1nc[nH]c(NCCCN2CCOCC2)c1[N+](=O)[O-]	ZINC000040623145	174356029	/nfs/dbraw/zinc/35/60/29/174356029.db2.gz	CLFUFGTXMWFOJD-UHFFFAOYSA-N	0	0	297.319	-0.195	10	5		CBBERN
O=c1[nH]cnc(NCCN2CCOCC2)c1[N+](=O)[O-]	ZINC000040659862	174365712	/nfs/dbraw/zinc/36/57/12/174365712.db2.gz	JTRDRKOQWNCDSY-UHFFFAOYSA-N	0	0	269.261	-0.578	10	5		CBBERN
COC[C@@H](O)CN(C)C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000042501426	174760629	/nfs/dbraw/zinc/76/06/29/174760629.db2.gz	RZPCIODGKQVFBB-VIFPVBQESA-N	0	0	272.261	-0.743	10	5		CBBERN
CC(=O)NC1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1	ZINC000191480225	419536088	/nfs/dbraw/zinc/53/60/88/419536088.db2.gz	FISHJFBLHSAIAA-UHFFFAOYSA-N	0	0	253.218	-0.722	10	5		CBBERN
CN1C[C@H](CNc2ncc([N+](=O)[O-])cn2)CC1=O	ZINC000596493444	420489216	/nfs/dbraw/zinc/48/92/16/420489216.db2.gz	ZPJKPQZAOXBHFV-ZETCQYMHSA-N	0	0	251.246	0.275	10	5		CBBERN
Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCNC1=O	ZINC000230688148	582129528	/nfs/dbraw/zinc/12/95/28/582129528.db2.gz	IJEHXMVUVPSUMV-QMMMGPOBSA-N	0	0	279.256	-0.420	10	5		CBBERN
C[C@H](NC(=O)[C@@H](N)CC(N)=O)c1cccc([N+](=O)[O-])c1	ZINC000037766572	656003699	/nfs/dbraw/zinc/00/36/99/656003699.db2.gz	HNFAMWLENGGYGE-XVKPBYJWSA-N	0	0	280.284	-0.025	10	5		CBBERN
Cn1cc([N+](=O)[O-])cc1C(=O)N1CCOC[C@H]1CO	ZINC000168579527	656081835	/nfs/dbraw/zinc/08/18/35/656081835.db2.gz	ITVITZMHVXKGEJ-SECBINFHSA-N	0	0	269.257	-0.233	10	5		CBBERN
Cc1nn(C)c(N2CCC[C@@](O)(C(N)=O)C2)c1[N+](=O)[O-]	ZINC000312410744	201909268	/nfs/dbraw/zinc/90/92/68/201909268.db2.gz	FZKRRVYERQIUSC-NSHDSACASA-N	0	0	283.288	-0.547	10	5		CBBERN
O=C1[C@H](O)C(CO)=C[C@H](Nc2ccc([N+](=O)[O-])cc2)[C@@H]1O	ZINC000100588951	185720658	/nfs/dbraw/zinc/72/06/58/185720658.db2.gz	MSMFDSDKVJHLJB-TUAOUCFPSA-N	0	0	294.263	-0.402	10	5		CBBERN
O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1	ZINC000002556632	351309000	/nfs/dbraw/zinc/30/90/00/351309000.db2.gz	DUYYBTBDYZXISX-CHWFTXMASA-N	0	0	271.225	-0.587	10	5		CBBERN
O=[N+]([O-])c1ccc(O)c(N[C@H]2CS(=O)(=O)C[C@H]2O)c1	ZINC000028615169	351371040	/nfs/dbraw/zinc/37/10/40/351371040.db2.gz	XIIYQSYSGHBCMZ-WCBMZHEXSA-N	0	0	288.281	-0.130	10	5		CBBERN
C[C@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@H](O)[C@H]1O	ZINC000015206216	351340779	/nfs/dbraw/zinc/34/07/79/351340779.db2.gz	YILIDCGSXCGACV-GRIKEPGJSA-N	0	0	285.252	-0.199	10	5		CBBERN
O=[N+]([O-])c1cccc(CS(=O)(=O)C[C@H](O)CO)c1	ZINC000151995522	351938180	/nfs/dbraw/zinc/93/81/80/351938180.db2.gz	AETDCUDWIOFMJG-SNVBAGLBSA-N	0	0	275.282	-0.137	10	5		CBBERN
O=c1ccc([N+](=O)[O-])cn1CCSC[C@H](O)CO	ZINC000160165194	351968823	/nfs/dbraw/zinc/96/88/23/351968823.db2.gz	CTZNNQMVTKQMKG-SECBINFHSA-N	0	0	274.298	-0.157	10	5		CBBERN
CNC(=O)[C@H](NC(=O)Cn1cc([N+](=O)[O-])nc1C)C(C)C	ZINC000178706065	352081746	/nfs/dbraw/zinc/08/17/46/352081746.db2.gz	WPNUJIJPSUKCCK-LLVKDONJSA-N	0	0	297.315	-0.013	10	5		CBBERN
NC(=O)[C@@H]1COCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC000246081841	352327203	/nfs/dbraw/zinc/32/72/03/352327203.db2.gz	HYMLVDVBVDPCIU-RYUDHWBXSA-N	0	0	295.295	-0.186	10	5		CBBERN
O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000262476426	352423293	/nfs/dbraw/zinc/42/32/93/352423293.db2.gz	YWPSUHBZELVTBR-KCJUWKMLSA-N	0	0	281.268	-0.390	10	5		CBBERN
NC(=O)[C@]1(O)CCCN(c2ccc([N+](=O)[O-])cn2)C1	ZINC000284492342	352636653	/nfs/dbraw/zinc/63/66/53/352636653.db2.gz	CLTCYTYGTCQDIN-NSHDSACASA-N	0	0	266.257	-0.194	10	5		CBBERN
O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCO[C@H](CO)C1	ZINC000168396444	137627997	/nfs/dbraw/zinc/62/79/97/137627997.db2.gz	MQOHJMYSEQFSSU-ZETCQYMHSA-N	0	0	255.230	-0.244	10	5		CBBERN
C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H](C(N)=O)O1	ZINC000157354584	188311882	/nfs/dbraw/zinc/31/18/82/188311882.db2.gz	FXMSNAYRGVQTEO-SVRRBLITSA-N	0	0	283.240	-0.097	10	5		CBBERN
O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CCc2ncnn2C1	ZINC000172002842	188774519	/nfs/dbraw/zinc/77/45/19/188774519.db2.gz	OOONEMSAKLCJJL-QMMMGPOBSA-N	0	0	291.271	-0.486	10	5		CBBERN
CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1c([N+](=O)[O-])ncn1C	ZINC000596436535	355357024	/nfs/dbraw/zinc/35/70/24/355357024.db2.gz	SRJBVHXUVGLQTH-NKWVEPMBSA-N	0	0	290.301	-0.448	10	5		CBBERN
O=[N+]([O-])c1cnc(NC[C@@H](O)CN2CCOCC2)nc1	ZINC000302138964	201359593	/nfs/dbraw/zinc/35/95/93/201359593.db2.gz	CSAQXYDFHOOLIS-SNVBAGLBSA-N	0	0	283.288	-0.510	10	5		CBBERN
O=C([O-])[C@@H]1C[NH2+]CCN1c1ncccc1[N+](=O)[O-]	ZINC000072203753	304134029	/nfs/dbraw/zinc/13/40/29/304134029.db2.gz	NSSMXPNNDGOYHB-QMMMGPOBSA-N	0	0	252.230	-0.147	10	5		CBBERN
COC(=O)CN(C)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O	ZINC000035176984	172029797	/nfs/dbraw/zinc/02/97/97/172029797.db2.gz	YUNNNROGNZTYBA-UHFFFAOYSA-N	0	0	269.213	-0.472	10	5		CBBERN
NS(=O)(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	ZINC000035576033	172273231	/nfs/dbraw/zinc/27/32/31/172273231.db2.gz	MAKBIYFMOPHLCN-UHFFFAOYSA-N	0	0	269.242	-0.177	10	5		CBBERN
CN1C[C@@H](CNc2ncc([N+](=O)[O-])cn2)CC1=O	ZINC000596493438	420488961	/nfs/dbraw/zinc/48/89/61/420488961.db2.gz	ZPJKPQZAOXBHFV-SSDOTTSWSA-N	0	0	251.246	0.275	10	5		CBBERN
C[C@@H](NC(=O)[C@@H](N)CC(N)=O)c1cccc([N+](=O)[O-])c1	ZINC000037766573	656004057	/nfs/dbraw/zinc/00/40/57/656004057.db2.gz	HNFAMWLENGGYGE-XCBNKYQSSA-N	0	0	280.284	-0.025	10	5		CBBERN
Cn1c(C(=O)N2CCOC[C@@H]2CO)ccc1[N+](=O)[O-]	ZINC000168522596	656081866	/nfs/dbraw/zinc/08/18/66/656081866.db2.gz	BHRPDZCBLZPXQA-QMMMGPOBSA-N	0	0	269.257	-0.233	10	5		CBBERN
C[N+]1(CC2=C(C(=O)[O-])N3C(=O)[C@H](N)[C@H]3SC2)CCCC1	ZINC000038316470	717126049	/nfs/dbraw/zinc/12/60/49/717126049.db2.gz	IIVPIDBZUUAWTF-JOYOIKCWSA-O	0	0	298.388	-0.192	10	5		CBBERN
CN1CCO[C@H]2CN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C[C@H]21	ZINC000356912690	529790933	/nfs/dbraw/zinc/79/09/33/529790933.db2.gz	MTLQZRLNXXSOLJ-BDAKNGLRSA-N	0	0	281.272	-0.527	10	5		CBBERN
C[N+]1(C[S@](=O)CS(=O)(=O)[O-])CCOCC1	ZINC000034224082	351385030	/nfs/dbraw/zinc/38/50/30/351385030.db2.gz	GATYGKHVIPYJIG-CQSZACIVSA-O	0	0	258.341	-0.985	10	5		CBBERN
NC(=O)c1ccc(CN2CCO[C@H](CO)C2)c([N+](=O)[O-])c1	ZINC000094267950	351763529	/nfs/dbraw/zinc/76/35/29/351763529.db2.gz	NVULEULLESCXSF-NSHDSACASA-N	0	0	295.295	-0.113	10	5		CBBERN
O=c1ccc([N+](=O)[O-])cn1CCSC[C@@H](O)CO	ZINC000160165332	351969183	/nfs/dbraw/zinc/96/91/83/351969183.db2.gz	CTZNNQMVTKQMKG-VIFPVBQESA-N	0	0	274.298	-0.157	10	5		CBBERN
Cn1cc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](CO)C1	ZINC000168367414	351993577	/nfs/dbraw/zinc/99/35/77/351993577.db2.gz	VRLNONNRVDLEES-SECBINFHSA-N	0	0	269.257	-0.233	10	5		CBBERN
Cc1ncc([N+](=O)[O-])n1CCN1CCOC[C@@H]1CO	ZINC000168823984	351995099	/nfs/dbraw/zinc/99/50/99/351995099.db2.gz	GBVZKIBLPNQWQF-JTQLQIEISA-N	0	0	270.289	-0.207	10	5		CBBERN
Cn1ncc([N+](=O)[O-])c1N1CCCS(=O)(=O)CC1	ZINC000220361620	352238868	/nfs/dbraw/zinc/23/88/68/352238868.db2.gz	RNHWRVLXEQAGLT-UHFFFAOYSA-N	0	0	274.302	-0.047	10	5		CBBERN
CC1(C)[N+]([O-])=C2C(=[N+]1[O-])C([N+](=O)[O-])([N+](=O)[O-])CCC2=O	ZINC000225398443	352247303	/nfs/dbraw/zinc/24/73/03/352247303.db2.gz	LASTUTXKWXBZDW-UHFFFAOYSA-N	0	0	288.216	-0.966	10	5		CBBERN
O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000262476429	352423521	/nfs/dbraw/zinc/42/35/21/352423521.db2.gz	YWPSUHBZELVTBR-KWQFWETISA-N	0	0	281.268	-0.390	10	5		CBBERN
O=C1NCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000594788915	355262767	/nfs/dbraw/zinc/26/27/67/355262767.db2.gz	BZLXBJYFSUVVEZ-SECBINFHSA-N	0	0	285.281	-0.238	10	5		CBBERN
O=C([O-])[C@H]1C[NH2+]CCN1c1ccc([N+](=O)[O-])cn1	ZINC000088673609	304198758	/nfs/dbraw/zinc/19/87/58/304198758.db2.gz	JBBOIXYSQHODPG-MRVPVSSYSA-N	0	0	252.230	-0.147	10	5		CBBERN
Cn1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)n1	ZINC000356889579	248297016	/nfs/dbraw/zinc/29/70/16/248297016.db2.gz	BAXSTCUBFFZSKD-WCBMZHEXSA-N	0	0	295.299	-0.517	10	5		CBBERN
C[C@H]1NC(=O)CC[C@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000281770810	195374488	/nfs/dbraw/zinc/37/44/88/195374488.db2.gz	IWRCSNSSQJEDTK-VXNVDRBHSA-N	0	0	281.272	-0.425	10	5		CBBERN
O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H](O)CO)c1	ZINC000006926144	170255946	/nfs/dbraw/zinc/25/59/46/170255946.db2.gz	ZKRBRRQHPGGVFS-QMMMGPOBSA-N	0	0	276.270	-0.774	10	5		CBBERN
[NH3+]CCNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000021040154	171293398	/nfs/dbraw/zinc/29/33/98/171293398.db2.gz	ZLZYMLONXYUJEM-UHFFFAOYSA-N	0	0	261.259	-0.463	10	5		CBBERN
Nc1nc(NC[C@@H](O)CO)c(Cl)nc1[N+](=O)[O-]	ZINC000029392010	171596580	/nfs/dbraw/zinc/59/65/80/171596580.db2.gz	QTYJVQGQPJCYSB-GSVOUGTGSA-N	0	0	263.641	-0.615	10	5		CBBERN
CN(CCO)S(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1	ZINC000037899682	173827907	/nfs/dbraw/zinc/82/79/07/173827907.db2.gz	LUTNPAGDPHMECC-UHFFFAOYSA-N	0	0	290.301	-0.507	10	5		CBBERN
COC[C@@H](O)CN(C)C(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000050469811	522398101	/nfs/dbraw/zinc/39/81/01/522398101.db2.gz	SWENSCIJEPFPAT-QMMMGPOBSA-N	0	0	272.261	-0.743	10	5		CBBERN
NC(=O)C[C@@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1	ZINC000052943191	526901923	/nfs/dbraw/zinc/90/19/23/526901923.db2.gz	PATXTFRVMLXGAS-SECBINFHSA-N	0	0	266.257	-0.586	10	5		CBBERN
C[C@@H]1CN(Cn2nccc2[N+](=O)[O-])C[C@H](C(N)=O)O1	ZINC000120227290	582117763	/nfs/dbraw/zinc/11/77/63/582117763.db2.gz	GXFPEWDBEIWOPB-HTQZYQBOSA-N	0	0	269.261	-0.677	10	5		CBBERN
C[C@@H](NC(=O)[C@H](N)CC(N)=O)c1cccc([N+](=O)[O-])c1	ZINC000037766571	656003866	/nfs/dbraw/zinc/00/38/66/656003866.db2.gz	HNFAMWLENGGYGE-GMSGAONNSA-N	0	0	280.284	-0.025	10	5		CBBERN
Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCOC[C@@H]1O	ZINC000707059799	656188797	/nfs/dbraw/zinc/18/87/97/656188797.db2.gz	WRJFJTWSCATGRQ-BDAKNGLRSA-N	0	0	282.256	-0.548	10	5		CBBERN
Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCNC1=O	ZINC000710412626	656198132	/nfs/dbraw/zinc/19/81/32/656198132.db2.gz	KDABCKFRXKHESX-SECBINFHSA-N	0	0	264.241	-0.205	10	5		CBBERN
[NH3+][C@@H](CNc1ccc([N+](=O)[O-])c2nonc21)C(=O)[O-]	ZINC000090677682	180023311	/nfs/dbraw/zinc/02/33/11/180023311.db2.gz	XJSHCKMKWFWSIN-BYPYZUCNSA-N	0	0	267.201	-0.045	10	5		CBBERN
O=[N+]([O-])c1ccc(O[C@H]2OC[C@H](O)[C@@H](O)[C@H]2O)cc1	ZINC000000057418	351298091	/nfs/dbraw/zinc/29/80/91/351298091.db2.gz	MLJYKRYCCUGBBV-LNFKQOIKSA-N	0	0	271.225	-0.587	10	5		CBBERN
CC(=O)N[C@H]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1	ZINC000121319785	186964716	/nfs/dbraw/zinc/96/47/16/186964716.db2.gz	IHKUEUOEWFIAIS-JTQLQIEISA-N	0	0	295.299	-0.082	10	5		CBBERN
NC(=O)c1ccc(CN2CCOC[C@@H]2CO)c([N+](=O)[O-])c1	ZINC000168774770	351995676	/nfs/dbraw/zinc/99/56/76/351995676.db2.gz	HISNKIOXOSRTOX-NSHDSACASA-N	0	0	295.295	-0.113	10	5		CBBERN
C[C@@H]1C(=O)NCCCN1CCn1cc([N+](=O)[O-])ccc1=O	ZINC000189334919	352167464	/nfs/dbraw/zinc/16/74/64/352167464.db2.gz	KBSJAPAZBNQIHO-SNVBAGLBSA-N	0	0	294.311	-0.033	10	5		CBBERN
C[C@H]1C(=O)NCCCN1C(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000191766055	352192837	/nfs/dbraw/zinc/19/28/37/352192837.db2.gz	VCEBCHJQOMXGET-VIFPVBQESA-N	0	0	295.299	-0.082	10	5		CBBERN
COC(=O)[C@H]1CCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000247498731	352347378	/nfs/dbraw/zinc/34/73/78/352347378.db2.gz	LMMJMIXODWYVBG-GHMZBOCLSA-N	0	0	298.299	-0.210	10	5		CBBERN
O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000262476432	352423203	/nfs/dbraw/zinc/42/32/03/352423203.db2.gz	YWPSUHBZELVTBR-LDYMZIIASA-N	0	0	281.268	-0.390	10	5		CBBERN
NC(=O)[C@@]1(O)CCCN(c2ccc([N+](=O)[O-])nc2)C1	ZINC000336814290	353058906	/nfs/dbraw/zinc/05/89/06/353058906.db2.gz	WRKXDTCXEWCDIO-LLVKDONJSA-N	0	0	266.257	-0.194	10	5		CBBERN
O=[N+]([O-])c1ccc2c(c1)=[N+]([O-])C1(CCCC1)[N+]=2[O-]	ZINC000575337857	354935024	/nfs/dbraw/zinc/93/50/24/354935024.db2.gz	HNTJQORKZMNBHM-UHFFFAOYSA-N	0	0	251.242	-0.361	10	5		CBBERN
O=C1NCC[C@H]1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000594791112	355262686	/nfs/dbraw/zinc/26/26/86/355262686.db2.gz	KAZNSXYHRUBMDD-SNVBAGLBSA-N	0	0	299.308	-0.097	10	5		CBBERN
CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1c([N+](=O)[O-])ncn1C	ZINC000596436531	355356827	/nfs/dbraw/zinc/35/68/27/355356827.db2.gz	SRJBVHXUVGLQTH-BQBZGAKWSA-N	0	0	290.301	-0.448	10	5		CBBERN
Cn1c(C(=O)N[C@@H]2CCNC2=O)ccc1[N+](=O)[O-]	ZINC000597857501	355423514	/nfs/dbraw/zinc/42/35/14/355423514.db2.gz	UVSNGQRBXJVQJC-ZCFIWIBFSA-N	0	0	252.230	-0.448	10	5		CBBERN
CN1CCO[C@H]2CN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C[C@@H]21	ZINC000356912714	248300428	/nfs/dbraw/zinc/30/04/28/248300428.db2.gz	MTLQZRLNXXSOLJ-IUCAKERBSA-N	0	0	281.272	-0.527	10	5		CBBERN
Cn1ncc([N+](=O)[O-])c1C(=O)N1C[C@H]2OCCN(C)[C@@H]2C1	ZINC000356927909	248302150	/nfs/dbraw/zinc/30/21/50/248302150.db2.gz	CIDDXFAHOVVUBI-NXEZZACHSA-N	0	0	295.299	-0.517	10	5		CBBERN
O=NC1C(=O)Nc2c1ccc1c2CCCC1[N+](=O)[O-]	ZINC000014951586	296356191	/nfs/dbraw/zinc/35/61/91/296356191.db2.gz	FQJXCCSUWTUFRG-VIFPVBQESA-N	0	0	261.237	-0.413	10	5	in-vitro	CBBERN
CO[C@@H]1OC[C@@H](OC(C)=O)[C@](C)([N+](=O)[O-])[C@H]1OC(C)=O	ZINC000005434268	170098964	/nfs/dbraw/zinc/09/89/64/170098964.db2.gz	QWPUFLUZODDGIW-YTWAJWBKSA-N	0	0	291.256	-0.112	10	5		CBBERN
NC(=O)[C@]1(O)CCCN(c2ncc([N+](=O)[O-])s2)C1	ZINC000284620685	196098753	/nfs/dbraw/zinc/09/87/53/196098753.db2.gz	MMTGFZQPHUDTFA-VIFPVBQESA-N	0	0	272.286	-0.132	10	5		CBBERN
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC(O)CC1	ZINC000035200756	172045730	/nfs/dbraw/zinc/04/57/30/172045730.db2.gz	OEVMJYTXLUGZJU-UHFFFAOYSA-N	0	0	254.246	-0.225	10	5		CBBERN
COC(=O)CN(C)C(=O)CCn1cnc([N+](=O)[O-])c1	ZINC000035221212	172062961	/nfs/dbraw/zinc/06/29/61/172062961.db2.gz	FVYIUDRTVMMNKI-UHFFFAOYSA-N	0	0	270.245	-0.187	10	5		CBBERN
COCCN(CCOC)c1nc[nH]c(=O)c1[N+](=O)[O-]	ZINC000040618341	174354224	/nfs/dbraw/zinc/35/42/24/174354224.db2.gz	UBYDJTNBYJZVKH-UHFFFAOYSA-N	0	0	272.261	-0.223	10	5		CBBERN
NC(=O)[C@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000091783339	295159350	/nfs/dbraw/zinc/15/93/50/295159350.db2.gz	QTJWUMNKJWJKPC-SNVBAGLBSA-N	0	0	279.252	-0.079	10	5		CBBERN
COC[C@H](O)CN(C)C(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000050469814	522782783	/nfs/dbraw/zinc/78/27/83/522782783.db2.gz	SWENSCIJEPFPAT-MRVPVSSYSA-N	0	0	272.261	-0.743	10	5		CBBERN
NC(=O)CN(CC(N)=O)c1nc(Cl)ccc1[N+](=O)[O-]	ZINC000061809459	526879924	/nfs/dbraw/zinc/87/99/24/526879924.db2.gz	LSRNXOOMGAONMV-UHFFFAOYSA-N	0	0	287.663	-0.580	10	5		CBBERN
Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCNC1=O	ZINC000230688144	582129532	/nfs/dbraw/zinc/12/95/32/582129532.db2.gz	IJEHXMVUVPSUMV-MRVPVSSYSA-N	0	0	279.256	-0.420	10	5		CBBERN
CNC(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000048644083	656016297	/nfs/dbraw/zinc/01/62/97/656016297.db2.gz	QKWLWJRDKBFRCF-UWVGGRQHSA-N	0	0	269.257	-0.082	10	5		CBBERN
CO[C@@H]1C[C@@H](CO)N(c2ncc([N+](=O)[O-])cn2)C1	ZINC000310855854	201880703	/nfs/dbraw/zinc/88/07/03/201880703.db2.gz	MYTSEQPMKDOIMN-IONNQARKSA-N	0	0	254.246	-0.029	10	5		CBBERN
O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CNC(=O)C1	ZINC000122703395	187046633	/nfs/dbraw/zinc/04/66/33/187046633.db2.gz	KZHLJXIQBZMBHW-ZETCQYMHSA-N	0	0	267.245	-0.956	10	5		CBBERN
Nc1c(C(=O)NCCS(N)(=O)=O)cccc1[N+](=O)[O-]	ZINC000122969003	187062557	/nfs/dbraw/zinc/06/25/57/187062557.db2.gz	LTSWWIDJBGQJRB-UHFFFAOYSA-N	0	0	288.285	-0.805	10	5		CBBERN
CN1CCO[C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1	ZINC000180554175	352095661	/nfs/dbraw/zinc/09/56/61/352095661.db2.gz	NAGKNQJKNIMHMD-VIFPVBQESA-N	0	0	295.299	-0.368	10	5		CBBERN
C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)C(N)=O	ZINC000341111485	353201965	/nfs/dbraw/zinc/20/19/65/353201965.db2.gz	WYUCTPBUOVVXEL-SCSAIBSYSA-N	0	0	254.202	-0.701	10	5		CBBERN
NC(=O)c1ccc(N[C@@H]2CCNC2=O)c([N+](=O)[O-])c1	ZINC000596312605	355354718	/nfs/dbraw/zinc/35/47/18/355354718.db2.gz	WQHWOPIUXONJPM-MRVPVSSYSA-N	0	0	264.241	-0.006	10	5		CBBERN
C[C@@H]1O[C@@H](NNc2ccccc2[N+](=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000616591001	356101233	/nfs/dbraw/zinc/10/12/33/356101233.db2.gz	SCEXKFZOYXSGAZ-KHIDNNIESA-N	0	0	299.283	-0.661	10	5		CBBERN
NC(=O)[C@@H]1COCCN1C(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000180195771	189242573	/nfs/dbraw/zinc/24/25/73/189242573.db2.gz	SXTOWEDMBAPKKJ-NSHDSACASA-N	0	0	293.279	-0.150	10	5		CBBERN
NC(=O)[C@]1(O)CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1	ZINC000336842968	213752718	/nfs/dbraw/zinc/75/27/18/213752718.db2.gz	VVFNOIRPPAKPPI-NSHDSACASA-N	0	0	282.256	-0.625	10	5		CBBERN
O=C(NCCO)C(F)(F)Cn1ccnc1[N+](=O)[O-]	ZINC000001544795	169712526	/nfs/dbraw/zinc/71/25/26/169712526.db2.gz	VOXUFOPZGRTSJY-UHFFFAOYSA-N	0	0	264.188	-0.465	10	5	investigational	CBBERN
C[C@@H](O)CN(C[C@@H](C)O)C(=O)Cn1ccnc1[N+](=O)[O-]	ZINC000013207665	170539359	/nfs/dbraw/zinc/53/93/59/170539359.db2.gz	JKQPSNAIPWLHSV-RKDXNWHRSA-N	0	0	286.288	-0.619	10	5		CBBERN
NC(=O)c1ccc(C[NH2+]CC(=O)[O-])c([N+](=O)[O-])c1	ZINC000035385131	172167484	/nfs/dbraw/zinc/16/74/84/172167484.db2.gz	KLPYDESGSYKDAE-UHFFFAOYSA-N	0	0	253.214	-0.132	10	5		CBBERN
Cn1cnc([N+](=O)[O-])c1N1CC[NH+](CC(=O)[O-])CC1	ZINC000035680469	172351229	/nfs/dbraw/zinc/35/12/29/172351229.db2.gz	JBQDDBJCDWMQKF-UHFFFAOYSA-N	0	0	269.261	-0.465	10	5		CBBERN
O=c1[nH]cnc(NCCCN2CCOCC2)c1[N+](=O)[O-]	ZINC000040623254	174355947	/nfs/dbraw/zinc/35/59/47/174355947.db2.gz	UBNYRLMCFODNLR-UHFFFAOYSA-N	0	0	283.288	-0.188	10	5		CBBERN
CN1C[C@H](CNc2ccc(N)c([N+](=O)[O-])n2)CC1=O	ZINC000596490236	420489233	/nfs/dbraw/zinc/48/92/33/420489233.db2.gz	IKQPNQPIUGRFDL-ZETCQYMHSA-N	0	0	265.273	0.462	10	5		CBBERN
C[C@H]1NC(=O)CC[C@@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000392961133	269585383	/nfs/dbraw/zinc/58/53/83/269585383.db2.gz	ITYXOJNCHDFBRI-SFYZADRCSA-N	0	0	281.272	-0.425	10	5		CBBERN
Cn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3[C@H](C2)OCCN3C)n1	ZINC000356889578	294309548	/nfs/dbraw/zinc/30/95/48/294309548.db2.gz	BAXSTCUBFFZSKD-SCZZXKLOSA-N	0	0	295.299	-0.517	10	5		CBBERN
Cc1ccc(O[C@@H]2CS(=O)(=O)C[C@H]2O)c([N+](=O)[O-])n1	ZINC000050440798	525464528	/nfs/dbraw/zinc/46/45/28/525464528.db2.gz	WVXYQSDLDPLPSJ-VXNVDRBHSA-N	0	0	288.281	-0.165	10	5		CBBERN
O=[N+]([O-])c1n[nH]c(C=Cc2nc([N+](=O)[O-])n[nH]2)n1	ZINC000095116200	656062720	/nfs/dbraw/zinc/06/27/20/656062720.db2.gz	FGIZHSIAWRFFGF-UPHRSURJSA-N	0	0	252.150	-0.090	10	5		CBBERN
Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCOC[C@@H]1O	ZINC000707059807	656188877	/nfs/dbraw/zinc/18/88/77/656188877.db2.gz	WRJFJTWSCATGRQ-IUCAKERBSA-N	0	0	282.256	-0.548	10	5		CBBERN
O=[N+]([O-])c1ccccc1O[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000005260465	351321964	/nfs/dbraw/zinc/32/19/64/351321964.db2.gz	YPQCLGUTGDQYNI-SNXWAXQRSA-N	0	0	271.225	-0.587	10	5		CBBERN
C[N+]1(C[S@@](=O)CS(=O)(=O)[O-])CCOCC1	ZINC000034224081	351384364	/nfs/dbraw/zinc/38/43/64/351384364.db2.gz	GATYGKHVIPYJIG-AWEZNQCLSA-O	0	0	258.341	-0.985	10	5		CBBERN
O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCO[C@@H](CO)C1	ZINC000168396518	351993606	/nfs/dbraw/zinc/99/36/06/351993606.db2.gz	MQOHJMYSEQFSSU-SSDOTTSWSA-N	0	0	255.230	-0.244	10	5		CBBERN
Cn1cc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](CO)C1	ZINC000168367312	351993652	/nfs/dbraw/zinc/99/36/52/351993652.db2.gz	VRLNONNRVDLEES-VIFPVBQESA-N	0	0	269.257	-0.233	10	5		CBBERN
CN1CCO[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000194618938	352217529	/nfs/dbraw/zinc/21/75/29/352217529.db2.gz	JDIUIMVSYRFDEZ-JTQLQIEISA-N	0	0	283.288	-0.762	10	5		CBBERN
CN1CCO[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000194618925	352217585	/nfs/dbraw/zinc/21/75/85/352217585.db2.gz	JDIUIMVSYRFDEZ-SNVBAGLBSA-N	0	0	283.288	-0.762	10	5		CBBERN
NC(=O)[C@@H]1COCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC000246081835	352327175	/nfs/dbraw/zinc/32/71/75/352327175.db2.gz	HYMLVDVBVDPCIU-NWDGAFQWSA-N	0	0	295.295	-0.186	10	5		CBBERN
CO[C@H]1CS(=O)(=O)C[C@H]1Nc1ncc([N+](=O)[O-])cn1	ZINC000596436993	355357059	/nfs/dbraw/zinc/35/70/59/355357059.db2.gz	VDFJQGYNGJAIOA-SFYZADRCSA-N	0	0	288.285	-0.391	10	5		CBBERN
O=C(N[C@@H]1CCOC[C@@H]1O)c1cc([N+](=O)[O-])c[nH]1	ZINC000600583248	355557654	/nfs/dbraw/zinc/55/76/54/355557654.db2.gz	GAJDOMMFIGMTGR-APPZFPTMSA-N	0	0	255.230	-0.198	10	5		CBBERN
NC(=O)C[C@H](N)C(=O)NCCc1ccc([N+](=O)[O-])cc1	ZINC000040676231	283293043	/nfs/dbraw/zinc/29/30/43/283293043.db2.gz	NZTPALFUAVSZBU-JTQLQIEISA-N	0	0	280.284	-0.544	10	5		CBBERN
O=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)Nn1cnnc1	ZINC000015773192	372755306	/nfs/dbraw/zinc/75/53/06/372755306.db2.gz	PYADMFVREFOZLR-UHFFFAOYSA-N	0	0	276.212	-0.105	10	5		CBBERN
CNC(=O)[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(C)C	ZINC000178850829	207426245	/nfs/dbraw/zinc/42/62/45/207426245.db2.gz	PTMPQUDEVHWSFP-SNVBAGLBSA-N	0	0	283.288	-0.322	10	5		CBBERN
C[C@H]1NC(=O)CC[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000281770805	195374313	/nfs/dbraw/zinc/37/43/13/195374313.db2.gz	IWRCSNSSQJEDTK-APPZFPTMSA-N	0	0	281.272	-0.425	10	5		CBBERN
O=C(c1ccc([N+](=O)[O-])cc1)N1CC(=O)NC(=O)C1	ZINC000005569452	170114556	/nfs/dbraw/zinc/11/45/56/170114556.db2.gz	RUGAYAWYBZEAKL-UHFFFAOYSA-N	0	0	263.209	-0.307	10	5		CBBERN
C[C@@H]1NC(=O)CC[C@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000392961132	269585233	/nfs/dbraw/zinc/58/52/33/269585233.db2.gz	ITYXOJNCHDFBRI-JGVFFNPUSA-N	0	0	281.272	-0.425	10	5		CBBERN
COC(=O)c1ccc([N+](=O)[O-])c(N2CCO[C@H](CO)C2)n1	ZINC000166815578	277162048	/nfs/dbraw/zinc/16/20/48/277162048.db2.gz	BFUZDPXCMNQDDK-QMMMGPOBSA-N	0	0	297.267	-0.026	10	5		CBBERN
Cn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)n1	ZINC000356889582	294309440	/nfs/dbraw/zinc/30/94/40/294309440.db2.gz	BAXSTCUBFFZSKD-WPRPVWTQSA-N	0	0	295.299	-0.517	10	5		CBBERN
NC(=O)[C@@]1(O)CCCN(c2ncccc2[N+](=O)[O-])C1	ZINC000284641402	303322116	/nfs/dbraw/zinc/32/21/16/303322116.db2.gz	OAGZNXUNFSZLDY-LLVKDONJSA-N	0	0	266.257	-0.194	10	5		CBBERN
C[C@@H](NC(=O)c1cc(N)c(F)cc1[N+](=O)[O-])C(N)=O	ZINC000050703095	525312329	/nfs/dbraw/zinc/31/23/29/525312329.db2.gz	MEOVSRKNMIZFBJ-SCSAIBSYSA-N	0	0	270.220	-0.080	10	5		CBBERN
Cc1ccc(O[C@H]2CS(=O)(=O)C[C@@H]2O)c([N+](=O)[O-])n1	ZINC000050440797	525471596	/nfs/dbraw/zinc/47/15/96/525471596.db2.gz	WVXYQSDLDPLPSJ-CBAPKCEASA-N	0	0	288.281	-0.165	10	5		CBBERN
C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N)C(N)=O	ZINC000050656716	525509501	/nfs/dbraw/zinc/50/95/01/525509501.db2.gz	LCFMUMMLZDKWTC-YFKPBYRVSA-N	0	0	288.285	-0.671	10	5		CBBERN
NNc1ccc([N+](=O)[O-])cc1C(=O)NCC(N)=O	ZINC000051095843	527282147	/nfs/dbraw/zinc/28/21/47/527282147.db2.gz	GHNOPJVYEGIFJP-UHFFFAOYSA-N	0	0	253.218	-0.905	10	5		CBBERN
O=C1[C@H](O)[C@@H](CO)C[C@H](Nc2ccc([N+](=O)[O-])cc2)[C@@H]1O	ZINC000013520540	560218436	/nfs/dbraw/zinc/21/84/36/560218436.db2.gz	JYWZXKMMEIJNKK-IGCXTIMSSA-N	0	0	296.279	-0.322	10	5	in-vitro	CBBERN
C[C@@H]1CN(Cn2cc([N+](=O)[O-])cn2)C[C@@H](C(N)=O)O1	ZINC000120299334	582117980	/nfs/dbraw/zinc/11/79/80/582117980.db2.gz	VQTVAJJBELYUSG-APPZFPTMSA-N	0	0	269.261	-0.677	10	5		CBBERN
O=[N+]([O-])c1ccc(O[C@H]2OC[C@H](O)[C@H](O)[C@@H]2O)cc1	ZINC000097973258	230388759	/nfs/dbraw/zinc/38/87/59/230388759.db2.gz	MLJYKRYCCUGBBV-XWLWVQCSSA-N	0	0	271.225	-0.587	10	5		CBBERN
CO[C@@H]1C[C@H](CO)N(c2c([N+](=O)[O-])ncn2C)C1	ZINC000310851141	201880399	/nfs/dbraw/zinc/88/03/99/201880399.db2.gz	MEBPSBHXPOFFIN-HTQZYQBOSA-N	0	0	256.262	-0.086	10	5		CBBERN
C[C@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@H](O)[C@H]1O	ZINC000043505195	351441652	/nfs/dbraw/zinc/44/16/52/351441652.db2.gz	YILIDCGSXCGACV-JJDXKYNWSA-N	0	0	285.252	-0.199	10	5		CBBERN
Cc1ncc([N+](=O)[O-])n1CCN1CCO[C@H](CO)C1	ZINC000168590470	351994402	/nfs/dbraw/zinc/99/44/02/351994402.db2.gz	CRGNXGLBMLOBMD-JTQLQIEISA-N	0	0	270.289	-0.207	10	5		CBBERN
Cc1c(CNC(=O)[C@@H](N)CC(N)=O)cccc1[N+](=O)[O-]	ZINC000231856592	352277843	/nfs/dbraw/zinc/27/78/43/352277843.db2.gz	STIKYPPAVMRJLL-VIFPVBQESA-N	0	0	280.284	-0.278	10	5		CBBERN
O=C(CO)N1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1	ZINC000302062856	352739061	/nfs/dbraw/zinc/73/90/61/352739061.db2.gz	SPYOEWDXKFDQNR-UHFFFAOYSA-N	0	0	295.295	-0.272	10	5		CBBERN
CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1ncc([N+](=O)[O-])cn1	ZINC000596436983	355357084	/nfs/dbraw/zinc/35/70/84/355357084.db2.gz	VDFJQGYNGJAIOA-HTQZYQBOSA-N	0	0	288.285	-0.391	10	5		CBBERN
O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CCNC1=O	ZINC000597856544	355423327	/nfs/dbraw/zinc/42/33/27/355423327.db2.gz	OPIKGSUPRCTMKH-MRVPVSSYSA-N	0	0	279.252	-0.022	10	5		CBBERN
O=C(N[C@H]1CCOC[C@H]1O)c1ccc([N+](=O)[O-])[nH]1	ZINC000600585744	355558439	/nfs/dbraw/zinc/55/84/39/355558439.db2.gz	KDVYYSYFYNMHHT-POYBYMJQSA-N	0	0	255.230	-0.198	10	5		CBBERN
C[C@@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])C(N)=O	ZINC000035149172	172011312	/nfs/dbraw/zinc/01/13/12/172011312.db2.gz	GFXKPEXFRCEPKI-RXMQYKEDSA-N	0	0	252.230	-0.021	10	5		CBBERN
Nc1ccc(N[C@H]2CCOC[C@H]2O)nc1[N+](=O)[O-]	ZINC000599176044	420491155	/nfs/dbraw/zinc/49/11/55/420491155.db2.gz	IHAUEMTZKBPKRV-JGVFFNPUSA-N	0	0	254.246	0.134	10	5		CBBERN
NC(=O)NC(=O)COc1cc(CO)ccc1[N+](=O)[O-]	ZINC000050517927	526926619	/nfs/dbraw/zinc/92/66/19/526926619.db2.gz	VVKUUQIPRFZYDW-UHFFFAOYSA-N	0	0	269.213	-0.339	10	5		CBBERN
CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)C(N)=O	ZINC000357777988	535799712	/nfs/dbraw/zinc/79/97/12/535799712.db2.gz	FZLMYIPTAMCCHB-SSDOTTSWSA-N	0	0	267.245	-0.434	10	5		CBBERN
CN1CCO[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C[C@@H]21	ZINC000356912708	529786077	/nfs/dbraw/zinc/78/60/77/529786077.db2.gz	MTLQZRLNXXSOLJ-DTWKUNHWSA-N	0	0	281.272	-0.527	10	5		CBBERN
CCCn1cc([N+](=O)[O-])c(=O)n(CC(=O)OC)c1=O	ZINC000104289424	185955979	/nfs/dbraw/zinc/95/59/79/185955979.db2.gz	UIZXPUIWYNNQDO-UHFFFAOYSA-N	0	0	271.229	-0.499	10	5		CBBERN
C[C@H]1O[C@H](Oc2ccccc2[N+](=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000031262359	351377008	/nfs/dbraw/zinc/37/70/08/351377008.db2.gz	SWRPIVXPHLYETN-OVBJLEGISA-N	0	0	285.252	-0.199	10	5		CBBERN
C[C@@H]1O[C@@H](Oc2ccccc2[N+](=O)[O-])[C@H](O)[C@H](O)[C@H]1O	ZINC000015206226	351342113	/nfs/dbraw/zinc/34/21/13/351342113.db2.gz	SWRPIVXPHLYETN-UOAXWKJLSA-N	0	0	285.252	-0.199	10	5		CBBERN
Cc1nc([N+](=O)[O-])nn1-c1nc([N+](=O)[O-])nn1C	ZINC000039248515	351412989	/nfs/dbraw/zinc/41/29/89/351412989.db2.gz	XFJMNMIUWZMVFX-UHFFFAOYSA-N	0	0	254.166	-0.479	10	5		CBBERN
O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1CNC(=O)C1	ZINC000122703170	187046617	/nfs/dbraw/zinc/04/66/17/187046617.db2.gz	KZHLJXIQBZMBHW-SSDOTTSWSA-N	0	0	267.245	-0.956	10	5		CBBERN
C[C@@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@H](O)[C@@H]1O	ZINC000248055029	352350663	/nfs/dbraw/zinc/35/06/63/352350663.db2.gz	YILIDCGSXCGACV-XQFKGYICSA-N	0	0	285.252	-0.199	10	5		CBBERN
Cn1cnc([N+](=O)[O-])c1N1CCC[C@@](O)(C(N)=O)C1	ZINC000336811885	353058414	/nfs/dbraw/zinc/05/84/14/353058414.db2.gz	OVRKGALMQNIQTB-JTQLQIEISA-N	0	0	269.261	-0.855	10	5		CBBERN
CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1ncc([N+](=O)[O-])cn1	ZINC000596436991	355356809	/nfs/dbraw/zinc/35/68/09/355356809.db2.gz	VDFJQGYNGJAIOA-JGVFFNPUSA-N	0	0	288.285	-0.391	10	5		CBBERN
Nc1c(C(=O)N[C@@H]2CCNC2=O)cccc1[N+](=O)[O-]	ZINC000597857520	355423294	/nfs/dbraw/zinc/42/32/94/355423294.db2.gz	UYVWFUFXGHAYLN-SSDOTTSWSA-N	0	0	264.241	-0.205	10	5		CBBERN
O=C(N[C@H]1CCOC[C@H]1O)c1cc([N+](=O)[O-])c[nH]1	ZINC000600583250	355558027	/nfs/dbraw/zinc/55/80/27/355558027.db2.gz	GAJDOMMFIGMTGR-IONNQARKSA-N	0	0	255.230	-0.198	10	5		CBBERN
C[C@@H]1O[C@H](NNc2ccccc2[N+](=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O	ZINC000616590998	356101428	/nfs/dbraw/zinc/10/14/28/356101428.db2.gz	SCEXKFZOYXSGAZ-CAXGQTPXSA-N	0	0	299.283	-0.661	10	5		CBBERN
NC(=O)c1ccc(CN2CCO[C@@H](CO)C2)c([N+](=O)[O-])c1	ZINC000094267951	184772614	/nfs/dbraw/zinc/77/26/14/184772614.db2.gz	NVULEULLESCXSF-LLVKDONJSA-N	0	0	295.295	-0.113	10	5		CBBERN
[NH3+]CCCNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000021508652	171309125	/nfs/dbraw/zinc/30/91/25/171309125.db2.gz	FLUXYZFKGHDPIW-UHFFFAOYSA-N	0	0	275.286	-0.073	10	5		CBBERN
Nc1nc(NC[C@H](O)CO)c(Cl)nc1[N+](=O)[O-]	ZINC000029392013	171596151	/nfs/dbraw/zinc/59/61/51/171596151.db2.gz	QTYJVQGQPJCYSB-VKHMYHEASA-N	0	0	263.641	-0.615	10	5		CBBERN
Cn1c2nc3cc[nH]c(=O)c3cc2c(=O)n(C)c1=O	ZINC000070666632	176000041	/nfs/dbraw/zinc/00/00/41/176000041.db2.gz	XZENZZRXMMLLNS-UHFFFAOYSA-N	0	0	258.237	-0.526	10	5		CBBERN
NS(=O)(=O)N1CCN(c2ccncc2[N+](=O)[O-])CC1	ZINC000122241924	295285116	/nfs/dbraw/zinc/28/51/16/295285116.db2.gz	SPBWUGGPKPFDQN-UHFFFAOYSA-N	0	0	287.301	-0.685	10	5		CBBERN
NS(=O)(=O)CCNc1ncnc(Cl)c1[N+](=O)[O-]	ZINC000050455074	527294769	/nfs/dbraw/zinc/29/47/69/527294769.db2.gz	VWPLWSNFXLBQQB-UHFFFAOYSA-N	0	0	281.681	-0.261	10	5		CBBERN
Cn1cc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@H]1CO	ZINC000168579436	656081909	/nfs/dbraw/zinc/08/19/09/656081909.db2.gz	ITVITZMHVXKGEJ-VIFPVBQESA-N	0	0	269.257	-0.233	10	5		CBBERN
Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@@H]1CNC(=O)C1	ZINC000171484256	656083570	/nfs/dbraw/zinc/08/35/70/656083570.db2.gz	AZBIQQLUQHTJFB-QMMMGPOBSA-N	0	0	282.256	-0.221	10	5		CBBERN
O=C(NC[C@@H]1CN2CCN1CC2)c1ccc([N+](=O)[O-])o1	ZINC000090698717	180026729	/nfs/dbraw/zinc/02/67/29/180026729.db2.gz	UBFSATKJAZNTQE-SECBINFHSA-N	0	0	280.284	-0.083	10	5		CBBERN
NC(=O)[C@@H]1COCCN1C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000091782426	180253520	/nfs/dbraw/zinc/25/35/20/180253520.db2.gz	WJHAKKSIDQFGGJ-NSHDSACASA-N	0	0	293.279	-0.150	10	5		CBBERN
NC(=O)[C@H]1COCCN1C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000091782425	180253641	/nfs/dbraw/zinc/25/36/41/180253641.db2.gz	WJHAKKSIDQFGGJ-LLVKDONJSA-N	0	0	293.279	-0.150	10	5		CBBERN
O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1	ZINC000004521719	351319333	/nfs/dbraw/zinc/31/93/33/351319333.db2.gz	DUYYBTBDYZXISX-LNFKQOIKSA-N	0	0	271.225	-0.587	10	5		CBBERN
C[C@@H]1O[C@@H](Oc2ccccc2[N+](=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000044170555	351443524	/nfs/dbraw/zinc/44/35/24/351443524.db2.gz	SWRPIVXPHLYETN-VFZHNTCFSA-N	0	0	285.252	-0.199	10	5		CBBERN
O=[N+]([O-])c1ccccc1CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000141938324	351925368	/nfs/dbraw/zinc/92/53/68/351925368.db2.gz	NXPDIDLVNFEHEQ-DDHJBXDOSA-N	0	0	285.252	-0.450	10	5		CBBERN
O=[N+]([O-])c1nccn1CS(=O)(=O)N1CCOCC1	ZINC000145225578	351927491	/nfs/dbraw/zinc/92/74/91/351927491.db2.gz	HAYXXOUYTXSOHN-UHFFFAOYSA-N	0	0	276.274	-0.589	10	5		CBBERN
CN1CCO[C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1	ZINC000171285965	352009384	/nfs/dbraw/zinc/00/93/84/352009384.db2.gz	MJJYUECIVUPWRW-LLVKDONJSA-N	0	0	297.315	-0.372	10	5		CBBERN
O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCO[C@H](CO)C1	ZINC000167510216	351989695	/nfs/dbraw/zinc/98/96/95/351989695.db2.gz	KKEFFQIHTFGAJT-QMMMGPOBSA-N	0	0	283.240	-0.471	10	5		CBBERN
C[C@@H]1C(=O)NCCCN1C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000188845861	352159387	/nfs/dbraw/zinc/15/93/87/352159387.db2.gz	GBVYURYFRKZBEF-MRVPVSSYSA-N	0	0	281.272	-0.472	10	5		CBBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCNC(=O)[C@H]1C	ZINC000188874788	352160550	/nfs/dbraw/zinc/16/05/50/352160550.db2.gz	MQKPAEDCNRACFM-MRVPVSSYSA-N	0	0	295.299	-0.163	10	5		CBBERN
O=C(Cn1cc([N+](=O)[O-])cn1)N1CC(NC(=O)C2CC2)C1	ZINC000189376027	352168433	/nfs/dbraw/zinc/16/84/33/352168433.db2.gz	RYHLYWXBEZAQOW-UHFFFAOYSA-N	0	0	293.283	-0.472	10	5		CBBERN
Cc1c(CNC(=O)[C@H](N)CC(N)=O)cccc1[N+](=O)[O-]	ZINC000231856594	352278130	/nfs/dbraw/zinc/27/81/30/352278130.db2.gz	STIKYPPAVMRJLL-SECBINFHSA-N	0	0	280.284	-0.278	10	5		CBBERN
CO[C@H]1C[C@H](CO)N(c2c([N+](=O)[O-])ncn2C)C1	ZINC000310851146	352762318	/nfs/dbraw/zinc/76/23/18/352762318.db2.gz	MEBPSBHXPOFFIN-SFYZADRCSA-N	0	0	256.262	-0.086	10	5		CBBERN
NC(=O)[C@@]1(O)CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1	ZINC000336842967	353063089	/nfs/dbraw/zinc/06/30/89/353063089.db2.gz	VVFNOIRPPAKPPI-LLVKDONJSA-N	0	0	282.256	-0.625	10	5		CBBERN
COC(=O)c1cccc(C(CO)(CO)[N+](=O)[O-])c1	ZINC000584597372	355033060	/nfs/dbraw/zinc/03/30/60/355033060.db2.gz	IOSHWQQOJYEHIR-UHFFFAOYSA-N	0	0	255.226	-0.070	10	5		CBBERN
Nc1c(C(=O)N[C@@H]2CCNC2=O)cc(F)cc1[N+](=O)[O-]	ZINC000597854282	355422548	/nfs/dbraw/zinc/42/25/48/355422548.db2.gz	DNZKBQZVGKQOBX-SSDOTTSWSA-N	0	0	282.231	-0.066	10	5		CBBERN
O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCNC1=O	ZINC000597857797	355423219	/nfs/dbraw/zinc/42/32/19/355423219.db2.gz	SSJVUPHAXPGUBO-SNVBAGLBSA-N	0	0	279.252	-0.022	10	5		CBBERN
O=C(N[C@@H]1CCNC1=O)c1cc([N+](=O)[O-])c[nH]c1=O	ZINC000598746157	355452530	/nfs/dbraw/zinc/45/25/30/355452530.db2.gz	NVIJGVAMNDANFH-SSDOTTSWSA-N	0	0	266.213	-0.686	10	5		CBBERN
C[C@@H]1O[C@@H](NNc2ccccc2[N+](=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O	ZINC000616591002	356101153	/nfs/dbraw/zinc/10/11/53/356101153.db2.gz	SCEXKFZOYXSGAZ-MWAPLWLCSA-N	0	0	299.283	-0.661	10	5		CBBERN
NC(=O)[C@H]1COCCN1C(=O)c1csc([N+](=O)[O-])c1	ZINC000180213263	189244086	/nfs/dbraw/zinc/24/40/86/189244086.db2.gz	RFLRQGRAZXRYGZ-SSDOTTSWSA-N	0	0	285.281	-0.017	10	5		CBBERN
COC(=O)CN1c2ccccc2[C@@](O)(C[N+](=O)[O-])C1=O	ZINC000584658723	374376409	/nfs/dbraw/zinc/37/64/09/374376409.db2.gz	LULBYPCYEHIMSZ-LBPRGKRZSA-N	0	0	280.236	-0.330	10	5		CBBERN
O=NC1C(=O)Nc2c1ccc1c2CCCC1[N+](=O)[O-]	ZINC000014951580	296355986	/nfs/dbraw/zinc/35/59/86/296355986.db2.gz	FQJXCCSUWTUFRG-SECBINFHSA-N	0	0	261.237	-0.413	10	5	in-vitro	CBBERN
O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCNCC1	ZINC000095091861	285167360	/nfs/dbraw/zinc/16/73/60/285167360.db2.gz	CDOCBXPHGKQCNF-UHFFFAOYSA-N	0	0	272.286	-0.416	10	5		CBBERN
C[C@@H]1NC(=O)CC[C@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000281770808	195374889	/nfs/dbraw/zinc/37/48/89/195374889.db2.gz	IWRCSNSSQJEDTK-IONNQARKSA-N	0	0	281.272	-0.425	10	5		CBBERN
COC(=O)[C@@H](CO)NC(=O)c1ccc(F)c([N+](=O)[O-])c1	ZINC000035162701	172023423	/nfs/dbraw/zinc/02/34/23/172023423.db2.gz	GQTZPHLXJQFHHA-MRVPVSSYSA-N	0	0	286.215	-0.002	10	5		CBBERN
NC(=O)NC(=O)COc1ccc([N+](=O)[O-])cc1CO	ZINC000035414987	172189093	/nfs/dbraw/zinc/18/90/93/172189093.db2.gz	VMAATNKPJHUGAJ-UHFFFAOYSA-N	0	0	269.213	-0.339	10	5		CBBERN
O=C(CCn1cnc([N+](=O)[O-])c1)N1CCNC(=O)C1	ZINC000043678635	175089978	/nfs/dbraw/zinc/08/99/78/175089978.db2.gz	XFRURHJOJNBVLU-UHFFFAOYSA-N	0	0	267.245	-0.860	10	5		CBBERN
CCCn1cc([N+](=O)[O-])c(=O)n(CCCO)c1=O	ZINC000070533467	175974757	/nfs/dbraw/zinc/97/47/57/175974757.db2.gz	ASGDDURVMNXUQX-UHFFFAOYSA-N	0	0	257.246	-0.289	10	5		CBBERN
C[C@@H](Cn1nc([N+](=O)[O-])nc1[N+](=O)[O-])O[N+](=O)[O-]	ZINC000097965970	534274055	/nfs/dbraw/zinc/27/40/55/534274055.db2.gz	FIDRJDRXCQOANW-VKHMYHEASA-N	0	0	262.138	-0.309	10	5		CBBERN
Cc1nn(CN2C[C@@H](C)O[C@H](C(N)=O)C2)c(C)c1[N+](=O)[O-]	ZINC000120297426	582117958	/nfs/dbraw/zinc/11/79/58/582117958.db2.gz	DZJWXGHEJJSYTL-XCBNKYQSSA-N	0	0	297.315	-0.060	10	5		CBBERN
COCC[NH2+]CCNc1ncc([N+](=O)[O-])cc1C(N)=O	ZINC000216350057	582127886	/nfs/dbraw/zinc/12/78/86/582127886.db2.gz	KSIDELGVQOGFNQ-UHFFFAOYSA-N	0	0	283.288	-0.263	10	5		CBBERN
CN1CCO[C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21	ZINC000378010439	529785636	/nfs/dbraw/zinc/78/56/36/529785636.db2.gz	DDUKYGFRWKRGEL-WDEREUQCSA-N	0	0	295.299	-0.667	10	5		CBBERN
Cn1c([N+](=O)[O-])cnc1N1CCN(S(C)(=O)=O)C1=O	ZINC000004217442	351317804	/nfs/dbraw/zinc/31/78/04/351317804.db2.gz	FNSHYEAUAUHIMB-UHFFFAOYSA-N	0	0	289.273	-0.470	10	5	in-man	CBBERN
C[C@@H]1O[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000013520517	351336205	/nfs/dbraw/zinc/33/62/05/351336205.db2.gz	YILIDCGSXCGACV-KHIDNNIESA-N	0	0	285.252	-0.199	10	5		CBBERN
C[C@H]1O[C@@H](Oc2ccccc2[N+](=O)[O-])[C@H](O)[C@H](O)[C@H]1O	ZINC000015206229	351341996	/nfs/dbraw/zinc/34/19/96/351341996.db2.gz	SWRPIVXPHLYETN-GRIKEPGJSA-N	0	0	285.252	-0.199	10	5		CBBERN
O=[N+]([O-])C[C@@]1(O)CO[C@@H](OCc2ccccc2)[C@H](O)[C@@H]1O	ZINC000022051022	351354815	/nfs/dbraw/zinc/35/48/15/351354815.db2.gz	MCEJVWPYHIIEJJ-YVECIDJPSA-N	0	0	299.279	-0.711	10	5		CBBERN
CC(=O)N[C@@H]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1	ZINC000121319646	351847581	/nfs/dbraw/zinc/84/75/81/351847581.db2.gz	IHKUEUOEWFIAIS-SNVBAGLBSA-N	0	0	295.299	-0.082	10	5		CBBERN
CCOC(=O)CNc1nc(N)n(C)c(=O)c1[N+](=O)[O-]	ZINC000141783706	351925217	/nfs/dbraw/zinc/92/52/17/351925217.db2.gz	KEHRNPWRBLFYCL-UHFFFAOYSA-N	0	0	271.233	-0.754	10	5		CBBERN
O=[N+]([O-])c1cccc(CS(=O)(=O)C[C@@H](O)CO)c1	ZINC000151995615	351937788	/nfs/dbraw/zinc/93/77/88/351937788.db2.gz	AETDCUDWIOFMJG-JTQLQIEISA-N	0	0	275.282	-0.137	10	5		CBBERN
NC(=O)c1cc(C(=O)N(CCO)CCO)cc([N+](=O)[O-])c1	ZINC000168043334	351991928	/nfs/dbraw/zinc/99/19/28/351991928.db2.gz	IWMUNQIZHXYAJA-UHFFFAOYSA-N	0	0	297.267	-0.880	10	5		CBBERN
Cc1ncc([N+](=O)[O-])n1CCN1CCO[C@@H](CO)C1	ZINC000168590582	351994830	/nfs/dbraw/zinc/99/48/30/351994830.db2.gz	CRGNXGLBMLOBMD-SNVBAGLBSA-N	0	0	270.289	-0.207	10	5		CBBERN
CNC(=O)[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C(C)C	ZINC000178714841	352081840	/nfs/dbraw/zinc/08/18/40/352081840.db2.gz	YRGFEQMHLWRAIT-SNVBAGLBSA-N	0	0	283.288	-0.322	10	5		CBBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CN(C)CCO1	ZINC000194599551	352216667	/nfs/dbraw/zinc/21/66/67/352216667.db2.gz	HMXHFKVPBBELAA-SNVBAGLBSA-N	0	0	297.315	-0.453	10	5		CBBERN
Cc1nc(N2CCOC[C@@H]2C(N)=O)ccc1[N+](=O)[O-]	ZINC000273427001	352530116	/nfs/dbraw/zinc/53/01/16/352530116.db2.gz	ZXCZNWWQZBAYMH-SECBINFHSA-N	0	0	266.257	-0.011	10	5		CBBERN
CO[C@H]1C[C@H](CO)N(c2ncc([N+](=O)[O-])cn2)C1	ZINC000310855852	352763351	/nfs/dbraw/zinc/76/33/51/352763351.db2.gz	MYTSEQPMKDOIMN-APPZFPTMSA-N	0	0	254.246	-0.029	10	5		CBBERN
Nc1ccc(N2CCO[C@H](CO)C2)nc1[N+](=O)[O-]	ZINC000311123047	352765743	/nfs/dbraw/zinc/76/57/43/352765743.db2.gz	UTMHXEUWQQTNHM-ZETCQYMHSA-N	0	0	254.246	-0.231	10	5		CBBERN
C[C@@H]1C(=O)NCCCN1C(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000191767063	137663835	/nfs/dbraw/zinc/66/38/35/137663835.db2.gz	QRIZFOWLWAWAAM-MRVPVSSYSA-N	0	0	281.272	-0.472	10	5		CBBERN
O=C1NCC[C@H]1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000594792592	355262412	/nfs/dbraw/zinc/26/24/12/355262412.db2.gz	UJALWLBERNKJHE-SECBINFHSA-N	0	0	299.308	-0.097	10	5		CBBERN
Cn1c(C(=O)N[C@@H]2CCOC[C@H]2O)ccc1[N+](=O)[O-]	ZINC000600584639	355558613	/nfs/dbraw/zinc/55/86/13/355558613.db2.gz	JRSHDDSNJYQVJR-VXNVDRBHSA-N	0	0	269.257	-0.187	10	5		CBBERN
O=C([O-])[C@H]1CN(c2ncccc2[N+](=O)[O-])CC[NH2+]1	ZINC000095078141	304198482	/nfs/dbraw/zinc/19/84/82/304198482.db2.gz	OBVRHTCGIDXTKK-SSDOTTSWSA-N	0	0	252.230	-0.147	10	5		CBBERN
Cn1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)n1	ZINC000356889575	248295382	/nfs/dbraw/zinc/29/53/82/248295382.db2.gz	BAXSTCUBFFZSKD-PSASIEDQSA-N	0	0	295.299	-0.517	10	5		CBBERN
Cn1ncc([N+](=O)[O-])c1C(=O)N1C[C@H]2OCCN(C)[C@H]2C1	ZINC000356927920	248301925	/nfs/dbraw/zinc/30/19/25/248301925.db2.gz	CIDDXFAHOVVUBI-VHSXEESVSA-N	0	0	295.299	-0.517	10	5		CBBERN
NC(=O)[C@@H]1COCCN1C(=O)c1csc([N+](=O)[O-])c1	ZINC000180213275	295120654	/nfs/dbraw/zinc/12/06/54/295120654.db2.gz	RFLRQGRAZXRYGZ-ZETCQYMHSA-N	0	0	285.281	-0.017	10	5		CBBERN
CNc1ccc([N+](=O)[O-])c(C(=O)NCC(N)=O)c1	ZINC000050726535	522640969	/nfs/dbraw/zinc/64/09/69/522640969.db2.gz	CPCIBVNRCUZEEV-UHFFFAOYSA-N	0	0	252.230	-0.148	10	5		CBBERN
O=[N+]([O-])c1ccc(S(=O)(=O)NC(CO)CO)cc1	ZINC000006926508	170255915	/nfs/dbraw/zinc/25/59/15/170255915.db2.gz	IMJHBHDJHKTKFJ-UHFFFAOYSA-N	0	0	276.270	-0.774	10	5		CBBERN
COC(=O)[C@H](CO)NC(=O)c1ccc(F)c([N+](=O)[O-])c1	ZINC000035162702	172023500	/nfs/dbraw/zinc/02/35/00/172023500.db2.gz	GQTZPHLXJQFHHA-QMMMGPOBSA-N	0	0	286.215	-0.002	10	5		CBBERN
Cc1nn(CC(=O)N[C@@H](C)CO)c(C)c1[N+](=O)[O-]	ZINC000035204805	172048880	/nfs/dbraw/zinc/04/88/80/172048880.db2.gz	AVLHEVVRTJRBDL-LURJTMIESA-N	0	0	256.262	-0.095	10	5		CBBERN
CN1C[C@@H](CNc2ccc(N)c([N+](=O)[O-])n2)CC1=O	ZINC000596490235	420489178	/nfs/dbraw/zinc/48/91/78/420489178.db2.gz	IKQPNQPIUGRFDL-SSDOTTSWSA-N	0	0	265.273	0.462	10	5		CBBERN
CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H](N)CC(N)=O	ZINC000037810263	273857949	/nfs/dbraw/zinc/85/79/49/273857949.db2.gz	ZKOZFUJLDLDGIY-SECBINFHSA-N	0	0	280.284	-0.244	10	5		CBBERN
Nc1cc([N+](=O)[O-])ccc1NCCS(N)(=O)=O	ZINC000052840568	527460725	/nfs/dbraw/zinc/46/07/25/527460725.db2.gz	GTZAGMKFKZHBIP-UHFFFAOYSA-N	0	0	260.275	-0.123	10	5		CBBERN
Cc1nn(CC(=O)N2CC(O)C2)c(C)c1[N+](=O)[O-]	ZINC000062808850	527701270	/nfs/dbraw/zinc/70/12/70/527701270.db2.gz	GUYZFKUXHKAESM-UHFFFAOYSA-N	0	0	254.246	-0.389	10	5		CBBERN
Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCOC[C@H]1O	ZINC000707059812	656188627	/nfs/dbraw/zinc/18/86/27/656188627.db2.gz	WRJFJTWSCATGRQ-RKDXNWHRSA-N	0	0	282.256	-0.548	10	5		CBBERN
Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCOC[C@H]1O	ZINC000707059803	656189008	/nfs/dbraw/zinc/18/90/08/656189008.db2.gz	WRJFJTWSCATGRQ-DTWKUNHWSA-N	0	0	282.256	-0.548	10	5		CBBERN
O=[N+]([O-])C(I)([N+](=O)[O-])[N+](=O)[O-]	ZINC000095754145	185026142	/nfs/dbraw/zinc/02/61/42/185026142.db2.gz	PVYWOZWHSJHJFC-UHFFFAOYSA-N	0	0	276.930	-0.137	10	5		CBBERN
O=[N+]([O-])c1ccccc1O[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O	ZINC000085483891	179080403	/nfs/dbraw/zinc/08/04/03/179080403.db2.gz	YPQCLGUTGDQYNI-IANFPDNMSA-N	0	0	271.225	-0.587	10	5		CBBERN
CCCn1cc([N+](=O)[O-])c(=O)n(C[C@H]2CO2)c1=O	ZINC000104301470	185959370	/nfs/dbraw/zinc/95/93/70/185959370.db2.gz	IVFBZWNTPMAIRD-ZETCQYMHSA-N	0	0	255.230	-0.273	10	5		CBBERN
C[C@@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@@H](O)[C@H]1O	ZINC000036532532	351391253	/nfs/dbraw/zinc/39/12/53/351391253.db2.gz	YILIDCGSXCGACV-GHIOYOQGSA-N	0	0	285.252	-0.199	10	5		CBBERN
C[C@H]1O[C@@H](Oc2ccccc2[N+](=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000044170551	351443400	/nfs/dbraw/zinc/44/34/00/351443400.db2.gz	SWRPIVXPHLYETN-JJDXKYNWSA-N	0	0	285.252	-0.199	10	5		CBBERN
C[C@H]1C(=O)NCCCN1C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000188845885	352160484	/nfs/dbraw/zinc/16/04/84/352160484.db2.gz	GBVYURYFRKZBEF-QMMMGPOBSA-N	0	0	281.272	-0.472	10	5		CBBERN
NC(=O)[C@@]1(O)CCCN(c2ccc([N+](=O)[O-])cn2)C1	ZINC000284492339	352636531	/nfs/dbraw/zinc/63/65/31/352636531.db2.gz	CLTCYTYGTCQDIN-LLVKDONJSA-N	0	0	266.257	-0.194	10	5		CBBERN
NC(=O)[C@@]1(O)CCCN(c2ccc(N)c([N+](=O)[O-])n2)C1	ZINC000312427834	352774768	/nfs/dbraw/zinc/77/47/68/352774768.db2.gz	ATUVQKFPCUXGOC-LLVKDONJSA-N	0	0	281.272	-0.611	10	5		CBBERN
CO[C@@H]1C[C@H](CO)N(c2ncc([N+](=O)[O-])cn2)C1	ZINC000310855855	352763327	/nfs/dbraw/zinc/76/33/27/352763327.db2.gz	MYTSEQPMKDOIMN-VXNVDRBHSA-N	0	0	254.246	-0.029	10	5		CBBERN
Nc1ccc(N2CCO[C@@H](CO)C2)nc1[N+](=O)[O-]	ZINC000311123046	352765905	/nfs/dbraw/zinc/76/59/05/352765905.db2.gz	UTMHXEUWQQTNHM-SSDOTTSWSA-N	0	0	254.246	-0.231	10	5		CBBERN
CN1CCN(c2c([N+](=O)[O-])n[nH]c2[N+](=O)[O-])CC1	ZINC000584660788	355034636	/nfs/dbraw/zinc/03/46/36/355034636.db2.gz	DKAFAAWFGJTKQF-UHFFFAOYSA-N	0	0	256.222	-0.022	10	5		CBBERN
Cn1c(C(=O)N[C@@H]2CCOC[C@@H]2O)ccc1[N+](=O)[O-]	ZINC000600584617	355557753	/nfs/dbraw/zinc/55/77/53/355557753.db2.gz	JRSHDDSNJYQVJR-APPZFPTMSA-N	0	0	269.257	-0.187	10	5		CBBERN
O=C(N[C@H]1CCOC[C@@H]1O)c1cc([N+](=O)[O-])c[nH]1	ZINC000600583249	355557844	/nfs/dbraw/zinc/55/78/44/355557844.db2.gz	GAJDOMMFIGMTGR-CBAPKCEASA-N	0	0	255.230	-0.198	10	5		CBBERN
Cn1c(C(=O)N[C@H]2CCOC[C@@H]2O)ccc1[N+](=O)[O-]	ZINC000600584632	355557925	/nfs/dbraw/zinc/55/79/25/355557925.db2.gz	JRSHDDSNJYQVJR-CBAPKCEASA-N	0	0	269.257	-0.187	10	5		CBBERN
NC(=O)C[C@@H](N)C(=O)NCCc1ccc([N+](=O)[O-])cc1	ZINC000040676230	283290240	/nfs/dbraw/zinc/29/02/40/283290240.db2.gz	NZTPALFUAVSZBU-SNVBAGLBSA-N	0	0	280.284	-0.544	10	5		CBBERN
O=C([O-])[C@@H]1C[NH2+]CCN1c1ccc([N+](=O)[O-])cn1	ZINC000088673610	304133839	/nfs/dbraw/zinc/13/38/39/304133839.db2.gz	JBBOIXYSQHODPG-QMMMGPOBSA-N	0	0	252.230	-0.147	10	5		CBBERN
O=[N+]([O-])c1cccc(S(=O)(=O)NC(CO)CO)c1	ZINC000006926143	170255648	/nfs/dbraw/zinc/25/56/48/170255648.db2.gz	YOTKWQIJDZSNBG-UHFFFAOYSA-N	0	0	276.270	-0.774	10	5		CBBERN
O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1	ZINC000013550858	170561298	/nfs/dbraw/zinc/56/12/98/170561298.db2.gz	DUYYBTBDYZXISX-LMLFDSFASA-N	0	0	271.225	-0.587	10	5		CBBERN
O=[N+]([O-])c1ccnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	ZINC000013822859	170599299	/nfs/dbraw/zinc/59/92/99/170599299.db2.gz	OBUURYVQHCHXFM-DJLDLDEBSA-N	0	0	280.240	-0.020	10	5		CBBERN
NC(=O)[C@@]1(O)CCCN(c2ncc([N+](=O)[O-])s2)C1	ZINC000284620684	196098801	/nfs/dbraw/zinc/09/88/01/196098801.db2.gz	MMTGFZQPHUDTFA-SECBINFHSA-N	0	0	272.286	-0.132	10	5		CBBERN
CN1CCN(Nc2nc[nH]c(=O)c2[N+](=O)[O-])CC1	ZINC000040623718	174356095	/nfs/dbraw/zinc/35/60/95/174356095.db2.gz	XUDPTHUENKPTJP-UHFFFAOYSA-N	0	0	254.250	-0.335	10	5		CBBERN
Cc1ccc(O[C@@H]2CS(=O)(=O)C[C@@H]2O)c([N+](=O)[O-])n1	ZINC000050440796	525464505	/nfs/dbraw/zinc/46/45/05/525464505.db2.gz	WVXYQSDLDPLPSJ-IONNQARKSA-N	0	0	288.281	-0.165	10	5		CBBERN
C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N)C(N)=O	ZINC000050656719	525575893	/nfs/dbraw/zinc/57/58/93/525575893.db2.gz	LCFMUMMLZDKWTC-RXMQYKEDSA-N	0	0	288.285	-0.671	10	5		CBBERN
NC(=O)CN(CC(N)=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000061809473	526880210	/nfs/dbraw/zinc/88/02/10/526880210.db2.gz	RNHQCTYZYAZSKG-UHFFFAOYSA-N	0	0	270.220	-0.489	10	5		CBBERN
C[C@@H]1CN(Cn2cc([N+](=O)[O-])cn2)C[C@H](C(N)=O)O1	ZINC000120299181	582118000	/nfs/dbraw/zinc/11/80/00/582118000.db2.gz	VQTVAJJBELYUSG-VXNVDRBHSA-N	0	0	269.261	-0.677	10	5		CBBERN
O=C(NC[C@H]1CN2CCN1CC2)c1ccc([N+](=O)[O-])o1	ZINC000090698718	180026992	/nfs/dbraw/zinc/02/69/92/180026992.db2.gz	UBFSATKJAZNTQE-VIFPVBQESA-N	0	0	280.284	-0.083	10	5		CBBERN
COC(=O)[C@H]1CCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000075716179	351671025	/nfs/dbraw/zinc/67/10/25/351671025.db2.gz	LMMJMIXODWYVBG-WDEREUQCSA-N	0	0	298.299	-0.210	10	5		CBBERN
C[C@H]1CN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CCN1	ZINC000095069530	351766164	/nfs/dbraw/zinc/76/61/64/351766164.db2.gz	SPUJWFNCIFXYGK-QMMMGPOBSA-N	0	0	286.313	-0.028	10	5		CBBERN
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1C[C@@H](O)C[NH2+]1	ZINC000236550650	352290218	/nfs/dbraw/zinc/29/02/18/352290218.db2.gz	PVAVVTBRCFRTKW-VXNVDRBHSA-N	0	0	267.241	-0.038	10	5		CBBERN
NC(=O)[C@]1(O)CCCN(c2ccc([N+](=O)[O-])nc2)C1	ZINC000336814292	353059102	/nfs/dbraw/zinc/05/91/02/353059102.db2.gz	WRKXDTCXEWCDIO-NSHDSACASA-N	0	0	266.257	-0.194	10	5		CBBERN
C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)C(N)=O	ZINC000341111479	353201581	/nfs/dbraw/zinc/20/15/81/353201581.db2.gz	WYUCTPBUOVVXEL-BYPYZUCNSA-N	0	0	254.202	-0.701	10	5		CBBERN
O=C1NCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000594790361	355262639	/nfs/dbraw/zinc/26/26/39/355262639.db2.gz	IBKBJVZQGATJOZ-SECBINFHSA-N	0	0	285.281	-0.238	10	5		CBBERN
Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCOC[C@H]1O	ZINC000600588360	355558699	/nfs/dbraw/zinc/55/86/99/355558699.db2.gz	ZBDANPUFLGBRSG-WCBMZHEXSA-N	0	0	269.257	-0.187	10	5		CBBERN
CNC(=O)CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-]	ZINC000035098520	171976362	/nfs/dbraw/zinc/97/63/62/171976362.db2.gz	ZQZAXYTUELTSQF-UHFFFAOYSA-N	0	0	277.240	-0.011	10	5		CBBERN
Cc1nn(CC(=O)N[C@H](C)CO)c(C)c1[N+](=O)[O-]	ZINC000035204806	172048850	/nfs/dbraw/zinc/04/88/50/172048850.db2.gz	AVLHEVVRTJRBDL-ZCFIWIBFSA-N	0	0	256.262	-0.095	10	5		CBBERN
Cc1noc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1	ZINC000038034835	174033188	/nfs/dbraw/zinc/03/31/88/174033188.db2.gz	HWBKIACPBJWDKT-SECBINFHSA-N	0	0	282.260	-0.367	10	5		CBBERN
COC(=O)CCN(C)C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000042265848	174669265	/nfs/dbraw/zinc/66/92/65/174669265.db2.gz	KZAYGVJNMJDVPV-UHFFFAOYSA-N	0	0	270.245	-0.187	10	5		CBBERN
CC(=O)NC1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1	ZINC000190274442	269570951	/nfs/dbraw/zinc/57/09/51/269570951.db2.gz	BTLYHQGZWYRYDW-UHFFFAOYSA-N	0	0	296.287	-0.679	10	5		CBBERN
CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H](N)CC(N)=O	ZINC000037810264	276995717	/nfs/dbraw/zinc/99/57/17/276995717.db2.gz	ZKOZFUJLDLDGIY-VIFPVBQESA-N	0	0	280.284	-0.244	10	5		CBBERN
C[C@@H]1CN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CCN1	ZINC000095069529	278792040	/nfs/dbraw/zinc/79/20/40/278792040.db2.gz	SPUJWFNCIFXYGK-MRVPVSSYSA-N	0	0	286.313	-0.028	10	5		CBBERN
Cc1ccc(O[C@H]2CS(=O)(=O)C[C@H]2O)c([N+](=O)[O-])n1	ZINC000050440799	525472555	/nfs/dbraw/zinc/47/25/55/525472555.db2.gz	WVXYQSDLDPLPSJ-APPZFPTMSA-N	0	0	288.281	-0.165	10	5		CBBERN
O=C(CCn1cnc([N+](=O)[O-])c1)N1CC[C@H](O)C1	ZINC000061705911	526682061	/nfs/dbraw/zinc/68/20/61/526682061.db2.gz	CTBYZHLGNWNWJW-QMMMGPOBSA-N	0	0	254.246	-0.225	10	5		CBBERN
O=C1c2ccc([N+](=O)[O-])cc2S(=O)(=O)N1CCO	ZINC000052125828	527124969	/nfs/dbraw/zinc/12/49/69/527124969.db2.gz	ZMMJFBUJWBCXQX-UHFFFAOYSA-N	0	0	272.238	-0.268	10	5		CBBERN
O=[N+]([O-])C[C@]1(O)CO[C@H](OCc2ccccc2)[C@H](O)[C@H]1O	ZINC000255987044	527318623	/nfs/dbraw/zinc/31/86/23/527318623.db2.gz	MCEJVWPYHIIEJJ-NDBYEHHHSA-N	0	0	299.279	-0.711	10	5		CBBERN
Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](O)C1	ZINC000061713807	527461304	/nfs/dbraw/zinc/46/13/04/527461304.db2.gz	MILTYNSQWPNXNT-MRVPVSSYSA-N	0	0	287.297	-0.068	10	5		CBBERN
Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](O)C1	ZINC000061713784	527505626	/nfs/dbraw/zinc/50/56/26/527505626.db2.gz	HQPFVJNUVUQAOR-QMMMGPOBSA-N	0	0	287.297	-0.068	10	5		CBBERN
CNC(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000048644085	656016515	/nfs/dbraw/zinc/01/65/15/656016515.db2.gz	QKWLWJRDKBFRCF-ZJUUUORDSA-N	0	0	269.257	-0.082	10	5		CBBERN
Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@H]1CNC(=O)C1	ZINC000171484253	656083056	/nfs/dbraw/zinc/08/30/56/656083056.db2.gz	AZBIQQLUQHTJFB-MRVPVSSYSA-N	0	0	282.256	-0.221	10	5		CBBERN
Cc1nc(N2CCOC[C@H]2C(N)=O)ccc1[N+](=O)[O-]	ZINC000273427003	136624120	/nfs/dbraw/zinc/62/41/20/136624120.db2.gz	ZXCZNWWQZBAYMH-VIFPVBQESA-N	0	0	266.257	-0.011	10	5		CBBERN
O=[N+]([O-])c1c(Cl)ncnc1N(CCO)CCO	ZINC000012654327	351333791	/nfs/dbraw/zinc/33/37/91/351333791.db2.gz	YCGHWYZKTBSEDZ-UHFFFAOYSA-N	0	0	262.653	-0.171	10	5		CBBERN
O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1	ZINC000004521720	351318602	/nfs/dbraw/zinc/31/86/02/351318602.db2.gz	DUYYBTBDYZXISX-ZRUFSTJUSA-N	0	0	271.225	-0.587	10	5		CBBERN
O=[N+]([O-])C[C@@]1(O)CO[C@@H](OCc2ccccc2)[C@H](O)[C@H]1O	ZINC000022051017	351354985	/nfs/dbraw/zinc/35/49/85/351354985.db2.gz	MCEJVWPYHIIEJJ-FDYHWXHSSA-N	0	0	299.279	-0.711	10	5		CBBERN
C[C@@H]1O[C@@](O)(c2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000079455592	351692123	/nfs/dbraw/zinc/69/21/23/351692123.db2.gz	ZGMAQQJQQJLOPN-SQKFTNEHSA-N	0	0	285.252	-0.759	10	5		CBBERN
COC(=O)c1nn(CCN2CCOCC2)cc1[N+](=O)[O-]	ZINC000166799500	351987801	/nfs/dbraw/zinc/98/78/01/351987801.db2.gz	YSCRSFNTQKTMCS-UHFFFAOYSA-N	0	0	284.272	-0.090	10	5		CBBERN
C[C@H]1C(=O)NCCCN1C(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000191767076	352192732	/nfs/dbraw/zinc/19/27/32/352192732.db2.gz	QRIZFOWLWAWAAM-QMMMGPOBSA-N	0	0	281.272	-0.472	10	5		CBBERN
NC(=O)[C@]1(O)CCCN(c2ccc(N)c([N+](=O)[O-])n2)C1	ZINC000312427836	352775132	/nfs/dbraw/zinc/77/51/32/352775132.db2.gz	ATUVQKFPCUXGOC-NSHDSACASA-N	0	0	281.272	-0.611	10	5		CBBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCNC(=O)[C@@H]1C	ZINC000188874771	137657083	/nfs/dbraw/zinc/65/70/83/137657083.db2.gz	MQKPAEDCNRACFM-QMMMGPOBSA-N	0	0	295.299	-0.163	10	5		CBBERN
C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H](C(N)=O)O1	ZINC000157354424	188311469	/nfs/dbraw/zinc/31/14/69/188311469.db2.gz	FXMSNAYRGVQTEO-HTRCEHHLSA-N	0	0	283.240	-0.097	10	5		CBBERN
O=C1NCC[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000594790435	355262860	/nfs/dbraw/zinc/26/28/60/355262860.db2.gz	IYIQNLKFCDSANI-SSDOTTSWSA-N	0	0	285.281	-0.238	10	5		CBBERN
O=C(N[C@@H]1CCOC[C@H]1O)c1cc([N+](=O)[O-])c[nH]1	ZINC000600583251	355557880	/nfs/dbraw/zinc/55/78/80/355557880.db2.gz	GAJDOMMFIGMTGR-VXNVDRBHSA-N	0	0	255.230	-0.198	10	5		CBBERN
O=C(N[C@@H]1CCOC[C@@H]1O)c1ccc([N+](=O)[O-])[nH]1	ZINC000600585745	355558213	/nfs/dbraw/zinc/55/82/13/355558213.db2.gz	KDVYYSYFYNMHHT-SVRRBLITSA-N	0	0	255.230	-0.198	10	5		CBBERN
[NH3+][C@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000006322348	170191566	/nfs/dbraw/zinc/19/15/66/170191566.db2.gz	NDGWMNVGXXMEAE-MRVPVSSYSA-N	0	0	274.254	-0.220	10	5		CBBERN
COCCNS(=O)(=O)c1ccc(NN)cc1[N+](=O)[O-]	ZINC000037115596	172966649	/nfs/dbraw/zinc/96/66/49/172966649.db2.gz	JWBDZYHRWCEASK-UHFFFAOYSA-N	0	0	290.301	-0.195	10	5		CBBERN
C[C@H]1NC(=O)CC[C@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000392961131	420207359	/nfs/dbraw/zinc/20/73/59/420207359.db2.gz	ITYXOJNCHDFBRI-HTQZYQBOSA-N	0	0	281.272	-0.425	10	5		CBBERN
Nc1ccc(N[C@@H]2CCOC[C@@H]2O)nc1[N+](=O)[O-]	ZINC000599176045	420491201	/nfs/dbraw/zinc/49/12/01/420491201.db2.gz	IHAUEMTZKBPKRV-SFYZADRCSA-N	0	0	254.246	0.134	10	5		CBBERN
NC(=O)[C@@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000091783340	295120771	/nfs/dbraw/zinc/12/07/71/295120771.db2.gz	QTJWUMNKJWJKPC-JTQLQIEISA-N	0	0	279.252	-0.079	10	5		CBBERN
CNC(=O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1N	ZINC000050654588	524074835	/nfs/dbraw/zinc/07/48/35/524074835.db2.gz	HVXAKYMQSQQZRG-UHFFFAOYSA-N	0	0	288.285	-0.799	10	5		CBBERN
O=C(CCn1cnc([N+](=O)[O-])c1)N1CC[C@@H](O)C1	ZINC000061705912	526682290	/nfs/dbraw/zinc/68/22/90/526682290.db2.gz	CTBYZHLGNWNWJW-MRVPVSSYSA-N	0	0	254.246	-0.225	10	5		CBBERN
Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](O)C1	ZINC000061713806	527461493	/nfs/dbraw/zinc/46/14/93/527461493.db2.gz	MILTYNSQWPNXNT-QMMMGPOBSA-N	0	0	287.297	-0.068	10	5		CBBERN
CNC(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000048644079	656016335	/nfs/dbraw/zinc/01/63/35/656016335.db2.gz	QKWLWJRDKBFRCF-VHSXEESVSA-N	0	0	269.257	-0.082	10	5		CBBERN
Cn1c(C(=O)N2CCOC[C@H]2CO)ccc1[N+](=O)[O-]	ZINC000168522680	656082098	/nfs/dbraw/zinc/08/20/98/656082098.db2.gz	BHRPDZCBLZPXQA-MRVPVSSYSA-N	0	0	269.257	-0.233	10	5		CBBERN