smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN1CC[C@@H]1CNc1ncc([N+](=O)[O-])cc1Br	ZINC000712535215	792199412	/nfs/dbraw/zinc/19/94/12/792199412.db2.gz	MBIROYONIWEABL-MRVPVSSYSA-N	0	0	315.171	2.258	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCC[C@@H](C2)C3O)c1	ZINC000173833729	798982470	/nfs/dbraw/zinc/98/24/70/798982470.db2.gz	ULSISEFJWIDCAP-ODOQXGPZSA-N	0	0	304.346	2.136	10	5		DEBERN
Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1Cc2ccc(Cl)cc2C1	ZINC000800003627	799294986	/nfs/dbraw/zinc/29/49/86/799294986.db2.gz	BTRIULLMIQBJKS-LBPRGKRZSA-N	0	0	319.748	2.484	10	5		DEBERN
Cc1ccc(Cn2cncc(Br)c2=O)cc1[N+](=O)[O-]	ZINC000714019521	1082086362	/nfs/dbraw/zinc/08/63/62/1082086362.db2.gz	QPUKRQNAEFJFQY-UHFFFAOYSA-N	0	0	324.134	2.271	10	5		DEBERN
C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ncc2Br)[C@H]1C	ZINC000706931746	1086656110	/nfs/dbraw/zinc/65/61/10/1086656110.db2.gz	XLHUEDBVPZLNSE-BQBZGAKWSA-N	0	0	314.139	2.233	10	5		DEBERN
Cn1ncc(CNc2c(Br)cccc2[N+](=O)[O-])n1	ZINC000700061296	1144671484	/nfs/dbraw/zinc/67/14/84/1144671484.db2.gz	GIVSPJNNCOXKHR-UHFFFAOYSA-N	0	0	312.127	2.098	10	5		DEBERN
CCCOc1cc(N[C@@H](C)CS(C)(=O)=O)ccc1[N+](=O)[O-]	ZINC000081904373	192336687	/nfs/dbraw/zinc/33/66/87/192336687.db2.gz	HIGQAYUJNWLWEL-JTQLQIEISA-N	0	0	316.379	2.229	10	5		DEBERN
Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cc(C)c2=O)cc1C	ZINC000096778141	185387114	/nfs/dbraw/zinc/38/71/14/185387114.db2.gz	ZKPDSGFUQKDWIG-UHFFFAOYSA-N	0	0	315.329	2.320	10	5		DEBERN
O=[N+]([O-])c1cc(-c2c[nH]c([C@H]3COCCN3)n2)ccc1Cl	ZINC000088373062	185247200	/nfs/dbraw/zinc/24/72/00/185247200.db2.gz	QVFMLXQIWGNWOW-LLVKDONJSA-N	0	0	308.725	2.299	10	5		DEBERN
CC[C@@H](NC(=O)[C@H]1CCN(C)C(=O)C1)c1cccc([N+](=O)[O-])c1	ZINC000177807230	282208297	/nfs/dbraw/zinc/20/82/97/282208297.db2.gz	NDLOROHVSLBOGR-GXTWGEPZSA-N	0	0	319.361	2.031	10	5		DEBERN
CC[C@H](NC(=O)NCc1noc(C)n1)c1cccc([N+](=O)[O-])c1	ZINC000090593165	185305930	/nfs/dbraw/zinc/30/59/30/185305930.db2.gz	SMGXPYDDUWHZCG-LBPRGKRZSA-N	0	0	319.321	2.237	10	5		DEBERN
CCNc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1(C)CCC1	ZINC000168365405	197721442	/nfs/dbraw/zinc/72/14/42/197721442.db2.gz	YBQSHHZAVSTYQG-UHFFFAOYSA-N	0	0	313.379	2.248	10	5		DEBERN
CCCNc1ccc(S(=O)(=O)N(C)C(C)C)cc1[N+](=O)[O-]	ZINC000050639736	190680578	/nfs/dbraw/zinc/68/05/78/190680578.db2.gz	OWZHIKRMJKEESE-UHFFFAOYSA-N	0	0	315.395	2.446	10	5		DEBERN
CN(C)c1nc(Cl)nc(Oc2ccc(F)cc2[N+](=O)[O-])n1	ZINC000061522317	190693901	/nfs/dbraw/zinc/69/39/01/190693901.db2.gz	MWIJPQGQMLZVHC-UHFFFAOYSA-N	0	0	313.676	2.431	10	5		DEBERN
C[C@H]1CN(C)C[C@H](C)N1C(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000127200093	290806119	/nfs/dbraw/zinc/80/61/19/290806119.db2.gz	GTZHFXXSCWTRHK-UWVGGRQHSA-N	0	0	311.769	2.413	10	5		DEBERN
O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1C[C@@H]2CC[C@@H](O)[C@H]2C1	ZINC000252894486	282595834	/nfs/dbraw/zinc/59/58/34/282595834.db2.gz	ZGZUVXOZHRQDJU-LJUAHTATSA-N	0	0	310.737	2.091	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2CC[C@H](O)[C@H]2C1	ZINC000252851391	282595989	/nfs/dbraw/zinc/59/59/89/282595989.db2.gz	FQZALDIMVNSIMR-QWRKXWFKSA-N	0	0	310.737	2.091	10	5		DEBERN
CNc1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1[N+](=O)[O-]	ZINC000070217583	190873082	/nfs/dbraw/zinc/87/30/82/190873082.db2.gz	HYCODCATWIUNKA-UHFFFAOYSA-N	0	0	311.685	2.443	10	5		DEBERN
Nc1ccc(F)cc1C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000071700221	191009477	/nfs/dbraw/zinc/00/94/77/191009477.db2.gz	XALSAANGGAXONS-UHFFFAOYSA-N	0	0	319.248	2.297	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)Cc1ccc(O)cc1	ZINC000152450070	186074471	/nfs/dbraw/zinc/07/44/71/186074471.db2.gz	MQGKSWMRVRUZSP-SNVBAGLBSA-N	0	0	315.329	2.365	10	5		DEBERN
CCS[C@@H](C)c1noc(Cn2cc([N+](=O)[O-])cc(C)c2=O)n1	ZINC000155817191	186115191	/nfs/dbraw/zinc/11/51/91/186115191.db2.gz	JETSVFICGVHSIA-VIFPVBQESA-N	0	0	324.362	2.310	10	5		DEBERN
COc1cc([N+](=O)[O-])ccc1C(=O)NCCOCC1CCC1	ZINC000617286726	363079036	/nfs/dbraw/zinc/07/90/36/363079036.db2.gz	FCIYKQIOCMVCLU-UHFFFAOYSA-N	0	0	308.334	2.150	10	5		DEBERN
Cn1cc([C@@H]2CCN(C(=O)c3csc([N+](=O)[O-])c3)C2)cn1	ZINC000172258975	198066805	/nfs/dbraw/zinc/06/68/05/198066805.db2.gz	AWZIBYJCFGDAJC-SECBINFHSA-N	0	0	306.347	2.020	10	5		DEBERN
O=C(Cc1cccc([N+](=O)[O-])c1)N1CCO[C@@H]2CCCC[C@@H]21	ZINC000172826942	198154929	/nfs/dbraw/zinc/15/49/29/198154929.db2.gz	HBRZZZRTZSNUJY-LSDHHAIUSA-N	0	0	304.346	2.307	10	5		DEBERN
COc1ccc(OCCN2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1	ZINC000173453477	198216644	/nfs/dbraw/zinc/21/66/44/198216644.db2.gz	MKSHMIGTYUWMJO-RYUDHWBXSA-N	0	0	310.350	2.091	10	5		DEBERN
Cc1ccc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2C)cc1[N+](=O)[O-]	ZINC000173838156	198259086	/nfs/dbraw/zinc/25/90/86/198259086.db2.gz	HOYHTKHSZAJFPN-JQWIXIFHSA-N	0	0	319.361	2.489	10	5		DEBERN
CCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1	ZINC000182417130	199434974	/nfs/dbraw/zinc/43/49/74/199434974.db2.gz	HSNGEKPTXBESBF-GFCCVEGCSA-N	0	0	323.374	2.153	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H](C)[C@H](O)C1	ZINC000089406372	355530238	/nfs/dbraw/zinc/53/02/38/355530238.db2.gz	UVMPQUATHXKCKI-TVQRCGJNSA-N	0	0	306.362	2.363	10	5		DEBERN
COc1cc(N2CCC3(CC2)OCCO3)c(C)cc1[N+](=O)[O-]	ZINC000114004124	355760597	/nfs/dbraw/zinc/76/05/97/355760597.db2.gz	MCUBZISJGSUZSQ-UHFFFAOYSA-N	0	0	308.334	2.255	10	5		DEBERN
COc1ccc(NC(=O)OCc2cnc([N+](=O)[O-])n2C)cc1	ZINC000135644096	355866387	/nfs/dbraw/zinc/86/63/87/355866387.db2.gz	HWZFKADNEBPNSN-UHFFFAOYSA-N	0	0	306.278	2.086	10	5		DEBERN
Cn1nnc2ccc(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)cc21	ZINC000182479763	356128086	/nfs/dbraw/zinc/12/80/86/356128086.db2.gz	VDBTZLCMLVPYCK-UHFFFAOYSA-N	0	0	323.312	2.079	10	5		DEBERN
CN(C(=O)c1ccc2nnn(C)c2c1)c1ccc([N+](=O)[O-])cc1	ZINC000182397083	356126534	/nfs/dbraw/zinc/12/65/34/356126534.db2.gz	HATKFAJVNHNSIS-UHFFFAOYSA-N	0	0	311.301	2.153	10	5		DEBERN
CC(C)[C@H](C)CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000184558305	356194039	/nfs/dbraw/zinc/19/40/39/356194039.db2.gz	QPHNSKYNDPUMHB-LLVKDONJSA-N	0	0	300.380	2.306	10	5		DEBERN
C[C@H](NC(=O)Nc1ccc(=O)n(C)c1)c1cccc([N+](=O)[O-])c1	ZINC000194819464	356244573	/nfs/dbraw/zinc/24/45/73/356244573.db2.gz	VBNBGGGYGLIHEP-JTQLQIEISA-N	0	0	316.317	2.176	10	5		DEBERN
C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccccc1[N+](=O)[O-]	ZINC000081450330	192268532	/nfs/dbraw/zinc/26/85/32/192268532.db2.gz	MEHUQJGDQHVORJ-JTQLQIEISA-N	0	0	308.334	2.397	10	5		DEBERN
Cc1cc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)c(N)c([N+](=O)[O-])c1	ZINC000178170007	198826854	/nfs/dbraw/zinc/82/68/54/198826854.db2.gz	GJMCCKNPKSIMHT-TZMCWYRMSA-N	0	0	319.361	2.269	10	5		DEBERN
Cc1nc(CNC(=O)c2ccnc(Cl)c2[N+](=O)[O-])cs1	ZINC000088805833	192645108	/nfs/dbraw/zinc/64/51/08/192645108.db2.gz	XTYXYHGUVDTHIH-UHFFFAOYSA-N	0	0	312.738	2.338	10	5		DEBERN
CNc1ccc(C(=O)N2CCC[C@H]2c2cc[nH]n2)cc1[N+](=O)[O-]	ZINC000586815788	357373968	/nfs/dbraw/zinc/37/39/68/357373968.db2.gz	UVBJMSQLSLTGAG-ZDUSSCGKSA-N	0	0	315.333	2.337	10	5		DEBERN
CC(=O)c1ccc(NCC(C)(C)[C@@]2(O)CCOC2)c([N+](=O)[O-])c1	ZINC000591988126	357810910	/nfs/dbraw/zinc/81/09/10/357810910.db2.gz	PFWRTKZAERTOCK-MRXNPFEDSA-N	0	0	322.361	2.387	10	5		DEBERN
O=[N+]([O-])c1ccc(CN2CCO[C@]3(CCOC3)C2)c(Cl)c1	ZINC000185131727	199813711	/nfs/dbraw/zinc/81/37/11/199813711.db2.gz	IFYQFDYQVCLLSZ-CQSZACIVSA-N	0	0	312.753	2.240	10	5		DEBERN
CCS(=O)(=O)C1(CNc2ccc([N+](=O)[O-])cc2F)CC1	ZINC000596522193	358705362	/nfs/dbraw/zinc/70/53/62/358705362.db2.gz	WYYPKPWFVCHSAN-UHFFFAOYSA-N	0	0	302.327	2.113	10	5		DEBERN
CCS(=O)(=O)C1(CNc2ccc(F)cc2[N+](=O)[O-])CC1	ZINC000596521400	358705664	/nfs/dbraw/zinc/70/56/64/358705664.db2.gz	PINOCUOQHMDRPZ-UHFFFAOYSA-N	0	0	302.327	2.113	10	5		DEBERN
Cc1sc(C(=O)N[C@@H](CCO)c2ccco2)cc1[N+](=O)[O-]	ZINC000187973991	200185653	/nfs/dbraw/zinc/18/56/53/200185653.db2.gz	DICLBSDVHXWJOG-VIFPVBQESA-N	0	0	310.331	2.411	10	5		DEBERN
C=C/C(C)=C/CC(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1	ZINC000601781302	360145980	/nfs/dbraw/zinc/14/59/80/360145980.db2.gz	VENPKCXBAQOYEE-RCLKMUNOSA-N	0	0	304.346	2.441	10	5		DEBERN
CC(=O)CCCc1cn(Cc2ccc([N+](=O)[O-])cc2F)nn1	ZINC000603225027	360754584	/nfs/dbraw/zinc/75/45/84/360754584.db2.gz	ZLQHIYGQMTUYMJ-UHFFFAOYSA-N	0	0	306.297	2.285	10	5		DEBERN
O=C(N[C@@H]1CCCC(F)(F)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000444958675	238364814	/nfs/dbraw/zinc/36/48/14/238364814.db2.gz	IWAMXXWWXMSAMI-MRVPVSSYSA-N	0	0	301.249	2.003	10	5		DEBERN
C[C@H]1SCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1C	ZINC000118440190	291261879	/nfs/dbraw/zinc/26/18/79/291261879.db2.gz	UMAFEYRVZYHGPT-HTQZYQBOSA-N	0	0	322.433	2.171	10	5		DEBERN
COc1cc(N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c(F)cc1[N+](=O)[O-]	ZINC000611256035	361563544	/nfs/dbraw/zinc/56/35/44/361563544.db2.gz	FUPKNHPVZYSDAX-SBMIAAHKSA-N	0	0	323.324	2.164	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H](CCC(N)=O)C2)n1	ZINC000611616159	361645273	/nfs/dbraw/zinc/64/52/73/361645273.db2.gz	RCWNNNHKEQOKEN-LBPRGKRZSA-N	0	0	306.366	2.089	10	5		DEBERN
Nc1c(NC(=O)c2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-]	ZINC000006547971	181353329	/nfs/dbraw/zinc/35/33/29/181353329.db2.gz	ARJMBDYHXHVCQX-UHFFFAOYSA-N	0	0	302.246	2.338	10	5		DEBERN
CC(C)c1nc([C@@H]2COCCN2c2ccc([N+](=O)[O-])nc2)no1	ZINC000450428364	241822260	/nfs/dbraw/zinc/82/22/60/241822260.db2.gz	HYQSBDOXLSAGAM-NSHDSACASA-N	0	0	319.321	2.074	10	5		DEBERN
Cc1ccc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1	ZINC000007218617	181447170	/nfs/dbraw/zinc/44/71/70/181447170.db2.gz	HHDUIIISJGLKBU-UHFFFAOYSA-N	0	0	310.331	2.317	10	5		DEBERN
COC(=O)[C@H](C)C[S@](=O)Cc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000093633836	193277596	/nfs/dbraw/zinc/27/75/96/193277596.db2.gz	QVINNYLFGVONOR-ZPWHCFADSA-N	0	0	319.766	2.306	10	5		DEBERN
CCOC(=O)[C@@H](N)CSCc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000093633095	193277611	/nfs/dbraw/zinc/27/76/11/193277611.db2.gz	SVBQYDIKWRGAOL-JTQLQIEISA-N	0	0	318.782	2.372	10	5		DEBERN
C[NH2+][C@@]1(C(=O)[O-])CC[C@H](Oc2cc([N+](=O)[O-])ccc2Cl)C1	ZINC000093847790	193317621	/nfs/dbraw/zinc/31/76/21/193317621.db2.gz	AKQOFIUXNFEGSD-ZANVPECISA-N	0	0	314.725	2.222	10	5		DEBERN
C[C@](N)(C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F	ZINC000094232742	193352725	/nfs/dbraw/zinc/35/27/25/193352725.db2.gz	RRVXWQUYZIZYCC-VIFPVBQESA-N	0	0	311.647	2.466	10	5		DEBERN
CCNc1cc(CSc2nccc(=O)[nH]2)ccc1[N+](=O)[O-]	ZINC000094778133	193396207	/nfs/dbraw/zinc/39/62/07/193396207.db2.gz	SUFJKVSKABTTNV-UHFFFAOYSA-N	0	0	306.347	2.402	10	5		DEBERN
CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(NC)cc1C	ZINC000094780424	193397957	/nfs/dbraw/zinc/39/79/57/193397957.db2.gz	ACHYSYANCPWDGN-VIFPVBQESA-N	0	0	301.368	2.022	10	5		DEBERN
Nc1nnc(COc2ccc([N+](=O)[O-])c3ncccc23)s1	ZINC000161453630	197496769	/nfs/dbraw/zinc/49/67/69/197496769.db2.gz	RCWXQCRISDBGHA-UHFFFAOYSA-N	0	0	303.303	2.156	10	5		DEBERN
C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1	ZINC000028416019	182523530	/nfs/dbraw/zinc/52/35/30/182523530.db2.gz	HQMRTDYJSMWXKL-VIFPVBQESA-N	0	0	308.725	2.322	10	5		DEBERN
NN=c1nc[nH]c(Nc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-]	ZINC000040648725	183114436	/nfs/dbraw/zinc/11/44/36/183114436.db2.gz	LKAVYRDAZAIVQT-UHFFFAOYSA-N	0	0	314.227	2.433	10	5		DEBERN
CCOc1ncnc(Oc2ccc(C(=O)OC)cc2)c1[N+](=O)[O-]	ZINC000040587857	183106095	/nfs/dbraw/zinc/10/60/95/183106095.db2.gz	QEPADBJMZFVILC-UHFFFAOYSA-N	0	0	319.273	2.362	10	5		DEBERN
O=C(Nc1cc[nH]n1)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000042414121	183266611	/nfs/dbraw/zinc/26/66/11/183266611.db2.gz	HCWZLJPZRFSVBZ-UHFFFAOYSA-N	0	0	311.095	2.333	10	5		DEBERN
COCCCN(CCOC)c1nc(Cl)ccc1[N+](=O)[O-]	ZINC000042426455	183269727	/nfs/dbraw/zinc/26/97/27/183269727.db2.gz	LRFIKBYGBMYNID-UHFFFAOYSA-N	0	0	303.746	2.133	10	5		DEBERN
Cc1ccc(NC(=O)N(C)CC(=O)NC(C)(C)C)cc1[N+](=O)[O-]	ZINC000043148260	183341684	/nfs/dbraw/zinc/34/16/84/183341684.db2.gz	RXZYVIVXOKRTLV-UHFFFAOYSA-N	0	0	322.365	2.282	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(O)cc1	ZINC000043511977	183369216	/nfs/dbraw/zinc/36/92/16/183369216.db2.gz	JXXKJSLQOVCHMA-UHFFFAOYSA-N	0	0	308.315	2.410	10	5		DEBERN
CCOC(=O)/C=C(\C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000104691179	194028363	/nfs/dbraw/zinc/02/83/63/194028363.db2.gz	OHSMMPSQDVBYPE-SOFGYWHQSA-N	0	0	312.709	2.445	10	5		DEBERN
O=C(Nc1ccc(Br)cn1)c1cc([N+](=O)[O-])c[nH]1	ZINC000105982923	194176820	/nfs/dbraw/zinc/17/68/20/194176820.db2.gz	JWLJDSYKICYRJX-UHFFFAOYSA-N	0	0	311.095	2.333	10	5		DEBERN
Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)o1	ZINC000048983542	183700552	/nfs/dbraw/zinc/70/05/52/183700552.db2.gz	PPPVUFNIRRZNTH-SNVBAGLBSA-N	0	0	317.301	2.312	10	5		DEBERN
CCNc1ccc(S(=O)(=O)N(C)CC(C)C)cc1[N+](=O)[O-]	ZINC000050652142	183794542	/nfs/dbraw/zinc/79/45/42/183794542.db2.gz	HIOJWFCFAPNPFE-UHFFFAOYSA-N	0	0	315.395	2.303	10	5		DEBERN
CCNc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)C1CC1	ZINC000050654938	183795669	/nfs/dbraw/zinc/79/56/69/183795669.db2.gz	PYGISPSWUIUZMT-SECBINFHSA-N	0	0	313.379	2.103	10	5		DEBERN
CS(=O)(=O)c1ccc(NCc2cscn2)c([N+](=O)[O-])c1	ZINC000050932823	183808316	/nfs/dbraw/zinc/80/83/16/183808316.db2.gz	QOIQYOHKDBYDFR-UHFFFAOYSA-N	0	0	313.360	2.067	10	5		DEBERN
CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1C[C@@H]1C	ZINC000052302133	183857608	/nfs/dbraw/zinc/85/76/08/183857608.db2.gz	VYATZVMUWZRZNG-JOYOIKCWSA-N	0	0	313.379	2.103	10	5		DEBERN
CC[NH2+][C@H](CCOc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)[O-]	ZINC000062595634	184244459	/nfs/dbraw/zinc/24/44/59/184244459.db2.gz	UZVQYUPPFCLFCH-SNVBAGLBSA-N	0	0	302.714	2.080	10	5		DEBERN
CCC[NH2+][C@H](CCOc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)[O-]	ZINC000062595624	184244542	/nfs/dbraw/zinc/24/45/42/184244542.db2.gz	PGVCQRIUYGEPGM-LLVKDONJSA-N	0	0	316.741	2.470	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(F)cc2)s1	ZINC000064241130	184293159	/nfs/dbraw/zinc/29/31/59/184293159.db2.gz	FAATWSCMIFMWPF-UHFFFAOYSA-N	0	0	316.335	2.274	10	5		DEBERN
CC(C)[NH2+][C@](C)(COc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-]	ZINC000069507935	184520724	/nfs/dbraw/zinc/52/07/24/184520724.db2.gz	GAAKREWAMDQFAE-CYBMUJFWSA-N	0	0	316.741	2.468	10	5		DEBERN
O=[N+]([O-])c1cc(F)c(Br)cc1N1CCC[C@H](O)C1	ZINC000158788648	197302318	/nfs/dbraw/zinc/30/23/18/197302318.db2.gz	AITLIIIDUCLYLH-ZETCQYMHSA-N	0	0	319.130	2.458	10	5		DEBERN
O=[N+]([O-])c1ccc2nc(N[C@@H]3CCc4ncnn4C3)ccc2c1	ZINC000108947946	285151698	/nfs/dbraw/zinc/15/16/98/285151698.db2.gz	PMOGYTZHQBQRFR-LLVKDONJSA-N	0	0	310.317	2.161	10	5		DEBERN
CCOCCN(C)C(=O)c1cc(Cl)c(NC)c([N+](=O)[O-])c1	ZINC000157537317	197194993	/nfs/dbraw/zinc/19/49/93/197194993.db2.gz	OKHAFXWYHWVLTG-UHFFFAOYSA-N	0	0	315.757	2.398	10	5		DEBERN
Nc1cc(C(=O)NC[C@H]2CCCCS2)c([N+](=O)[O-])cc1F	ZINC000156595746	197126290	/nfs/dbraw/zinc/12/62/90/197126290.db2.gz	VRLUVRPHDZBUEG-MRVPVSSYSA-N	0	0	313.354	2.332	10	5		DEBERN
COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CCCC[C@@H]1O	ZINC000156127309	197088525	/nfs/dbraw/zinc/08/85/25/197088525.db2.gz	UEXNKVYYMWPXAS-GWCFXTLKSA-N	0	0	323.349	2.276	10	5		DEBERN
CCCNc1sc(S(=O)(=O)NCC(C)C)cc1[N+](=O)[O-]	ZINC000125367132	195741409	/nfs/dbraw/zinc/74/14/09/195741409.db2.gz	ZSWXQKGSCDWLTF-UHFFFAOYSA-N	0	0	321.424	2.413	10	5		DEBERN
CCC[C@H](C)NS(=O)(=O)c1cccc(NCC)c1[N+](=O)[O-]	ZINC000126862531	195847120	/nfs/dbraw/zinc/84/71/20/195847120.db2.gz	NRDAPOLCKLRITQ-JTQLQIEISA-N	0	0	315.395	2.494	10	5		DEBERN
Cc1ccccc1-c1nc(Cn2cccc([N+](=O)[O-])c2=O)no1	ZINC000127643635	195896543	/nfs/dbraw/zinc/89/65/43/195896543.db2.gz	SAFCTFRTFIQFST-UHFFFAOYSA-N	0	0	312.285	2.163	10	5		DEBERN
O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000127770274	195908824	/nfs/dbraw/zinc/90/88/24/195908824.db2.gz	IDFTTWWEIADZOW-CZUORRHYSA-N	0	0	304.346	2.362	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NCCOCc1ccccc1	ZINC000177072738	132524348	/nfs/dbraw/zinc/52/43/48/132524348.db2.gz	MAYHYKLVLABFQJ-UHFFFAOYSA-N	0	0	315.329	2.245	10	5		DEBERN
CC(=O)c1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1C	ZINC000357923343	133109599	/nfs/dbraw/zinc/10/95/99/133109599.db2.gz	JGZPFKVTMKSPIH-UHFFFAOYSA-N	0	0	302.290	2.092	10	5		DEBERN
Cn1c2ccccc2n(CCOc2cccc([N+](=O)[O-])c2)c1=O	ZINC000360279274	133173022	/nfs/dbraw/zinc/17/30/22/133173022.db2.gz	NNHHQAVNVPUYOV-UHFFFAOYSA-N	0	0	313.313	2.327	10	5		DEBERN
CC(C)[C@H](C)CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000362612790	133241760	/nfs/dbraw/zinc/24/17/60/133241760.db2.gz	ZKSOCXNJVFTDDR-LLVKDONJSA-N	0	0	322.361	2.317	10	5		DEBERN
Cc1c(NC(=O)C(=O)N2CCCC23CCC3)cccc1[N+](=O)[O-]	ZINC000373178132	133380446	/nfs/dbraw/zinc/38/04/46/133380446.db2.gz	GIHCJEPTYHMXMD-UHFFFAOYSA-N	0	0	317.345	2.387	10	5		DEBERN
O=C(Cn1ccc([N+](=O)[O-])n1)NCc1ccc(C(F)F)cc1	ZINC000184552378	144945663	/nfs/dbraw/zinc/94/56/63/144945663.db2.gz	SBNOJYYTIZGAHD-UHFFFAOYSA-N	0	0	310.260	2.045	10	5		DEBERN
Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1ccco1	ZINC000184639244	144946984	/nfs/dbraw/zinc/94/69/84/144946984.db2.gz	OHWNRSYTJYGKLO-NSHDSACASA-N	0	0	302.290	2.142	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1CNc1nc(-c2nccn2C)no1	ZINC000185852058	144969754	/nfs/dbraw/zinc/96/97/54/144969754.db2.gz	AFQQNMGKHLCQDL-UHFFFAOYSA-N	0	0	314.305	2.299	10	5		DEBERN
Cc1nn(C)c(C(=O)NCc2ccc(C3CC3)cc2)c1[N+](=O)[O-]	ZINC000191313517	145055865	/nfs/dbraw/zinc/05/58/65/145055865.db2.gz	KAZPIBILMYFPIH-UHFFFAOYSA-N	0	0	314.345	2.444	10	5		DEBERN
CCOc1cc(N2CCN(C(C)=O)C[C@H]2C)ccc1[N+](=O)[O-]	ZINC000357170626	147055381	/nfs/dbraw/zinc/05/53/81/147055381.db2.gz	NYMYWVISUKAYHT-LLVKDONJSA-N	0	0	307.350	2.051	10	5		DEBERN
Cc1nc(CN(C)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)no1	ZINC000358504778	147146512	/nfs/dbraw/zinc/14/65/12/147146512.db2.gz	BQFVIMKZVKNRAK-UHFFFAOYSA-N	0	0	315.289	2.040	10	5		DEBERN
O=[N+]([O-])c1cnc(N2CC[C@@H](c3nc(C4CC4)no3)C2)s1	ZINC000375256943	148348453	/nfs/dbraw/zinc/34/84/53/148348453.db2.gz	CAVIVZPTFMUYNB-MRVPVSSYSA-N	0	0	307.335	2.306	10	5		DEBERN
Cc1c(C(=O)N2CC[C@H](c3cnn(C)c3)C2)cccc1[N+](=O)[O-]	ZINC000116113058	401842227	/nfs/dbraw/zinc/84/22/27/401842227.db2.gz	QRJLHKVAYZDLFL-LBPRGKRZSA-N	0	0	314.345	2.266	10	5		DEBERN
Cc1cccc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)c1[N+](=O)[O-]	ZINC000116118007	401842570	/nfs/dbraw/zinc/84/25/70/401842570.db2.gz	XLCSPFKPRQBFSR-LBPRGKRZSA-N	0	0	314.345	2.266	10	5		DEBERN
O=C(NCc1cccnc1-n1ccnc1)c1ccccc1[N+](=O)[O-]	ZINC000029918374	401859632	/nfs/dbraw/zinc/85/96/32/401859632.db2.gz	MXPNTELKQWBEBL-UHFFFAOYSA-N	0	0	323.312	2.106	10	5		DEBERN
CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[C@H]2O)c1	ZINC000089161730	401937721	/nfs/dbraw/zinc/93/77/21/401937721.db2.gz	BAPKPOWHWXXJDJ-NOZJJQNGSA-N	0	0	310.375	2.208	10	5		DEBERN
O=C(Nc1ccnc2ccnn21)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000117414199	401876570	/nfs/dbraw/zinc/87/65/70/401876570.db2.gz	AINWHMMSGRGVGL-UHFFFAOYSA-N	0	0	322.284	2.371	10	5		DEBERN
CCC1(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCC1	ZINC000135616028	401948338	/nfs/dbraw/zinc/94/83/38/401948338.db2.gz	YBYDMEOPQWUICD-UHFFFAOYSA-N	0	0	302.327	2.345	10	5		DEBERN
O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1C[C@@H]1C1CCCCC1	ZINC000122459276	402079306	/nfs/dbraw/zinc/07/93/06/402079306.db2.gz	HANYFRHAJBXXCW-ZIAGYGMSSA-N	0	0	306.366	2.124	10	5		DEBERN
C[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@H]1CCCO1	ZINC000123143123	402112464	/nfs/dbraw/zinc/11/24/64/402112464.db2.gz	WAJJQNPJVVTWDV-IINYFYTJSA-N	0	0	315.329	2.440	10	5		DEBERN
COC(=O)CCCCCNC(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000054147008	402063222	/nfs/dbraw/zinc/06/32/22/402063222.db2.gz	MPPLUUUOWFERJD-UHFFFAOYSA-N	0	0	312.297	2.197	10	5		DEBERN
Cc1cccc([N+](=O)[O-])c1N1CCO[C@](C)(c2cnn(C)c2)C1	ZINC000153286766	402136936	/nfs/dbraw/zinc/13/69/36/402136936.db2.gz	SDSBVDMKHZQYST-INIZCTEOSA-N	0	0	316.361	2.389	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC([NH+]2CCCC2)CC1	ZINC000066635196	402138620	/nfs/dbraw/zinc/13/86/20/402138620.db2.gz	DZLLMQRUYQNLCB-UHFFFAOYSA-N	0	0	319.361	2.001	10	5		DEBERN
Cc1ccccc1-c1nc(Cn2cc([N+](=O)[O-])ccc2=O)no1	ZINC000124545404	402185003	/nfs/dbraw/zinc/18/50/03/402185003.db2.gz	IWECARZKSQWVMB-UHFFFAOYSA-N	0	0	312.285	2.163	10	5		DEBERN
O=C(CNc1ccccc1[N+](=O)[O-])N1CCO[C@H]2CCCC[C@H]21	ZINC000068217337	402187763	/nfs/dbraw/zinc/18/77/63/402187763.db2.gz	LHQOHWIHGQCCNM-CABCVRRESA-N	0	0	319.361	2.177	10	5		DEBERN
CN(C)c1ncc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1	ZINC000124765194	402196258	/nfs/dbraw/zinc/19/62/58/402196258.db2.gz	NDGMTACQKPVFBX-UHFFFAOYSA-N	0	0	321.724	2.357	10	5		DEBERN
Cc1nccn1C[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000124831169	402199559	/nfs/dbraw/zinc/19/95/59/402199559.db2.gz	RTXCNQPVRMVIFB-LLVKDONJSA-N	0	0	316.361	2.474	10	5		DEBERN
Cn1nccc1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000124279687	402172746	/nfs/dbraw/zinc/17/27/46/402172746.db2.gz	BTWSAHQLZYENPM-UHFFFAOYSA-N	0	0	314.345	2.348	10	5		DEBERN
CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1noc(C)n1	ZINC000184792860	402300322	/nfs/dbraw/zinc/30/03/22/402300322.db2.gz	CRGKUENLBINVNU-LBPRGKRZSA-N	0	0	318.333	2.171	10	5		DEBERN
COC(=O)c1coc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1	ZINC000184936375	402310854	/nfs/dbraw/zinc/31/08/54/402310854.db2.gz	RQQRIIKCRCPZTK-UHFFFAOYSA-N	0	0	316.269	2.177	10	5		DEBERN
Cc1nccn1C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000177212775	402382135	/nfs/dbraw/zinc/38/21/35/402382135.db2.gz	QCRUVNYCRQROMZ-HNNXBMFYSA-N	0	0	314.345	2.405	10	5		DEBERN
NCC(F)(F)CNc1cc(Br)ccc1[N+](=O)[O-]	ZINC000162659143	402427864	/nfs/dbraw/zinc/42/78/64/402427864.db2.gz	MSVXWNDYBWJNHO-UHFFFAOYSA-N	0	0	310.098	2.363	10	5		DEBERN
Cc1c(C(=O)N2CCC[C@@H]2Cn2ccnc2)cccc1[N+](=O)[O-]	ZINC000177809715	402438668	/nfs/dbraw/zinc/43/86/68/402438668.db2.gz	XNUKBHWWVPNLBW-CYBMUJFWSA-N	0	0	314.345	2.405	10	5		DEBERN
CCO[C@H]1C[C@@H](N(C)C(=O)c2n[nH]cc2[N+](=O)[O-])C12CCCC2	ZINC000163794635	402457989	/nfs/dbraw/zinc/45/79/89/402457989.db2.gz	XORFJHUELLFOOW-NEPJUHHUSA-N	0	0	322.365	2.128	10	5		DEBERN
CO[C@@H]1C[C@H](c2nc(C)no2)N(c2ccc(F)cc2[N+](=O)[O-])C1	ZINC000190088757	402575226	/nfs/dbraw/zinc/57/52/26/402575226.db2.gz	CYTWLAUFIZNTNC-ZWNOBZJWSA-N	0	0	322.296	2.392	10	5		DEBERN
C[C@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](Cn2cccn2)C1	ZINC000247178506	402559644	/nfs/dbraw/zinc/55/96/44/402559644.db2.gz	NJRLHBGNJKLMLG-CZUORRHYSA-N	0	0	316.361	2.253	10	5		DEBERN
CC(C)(C)CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1	ZINC000188944699	402528606	/nfs/dbraw/zinc/52/86/06/402528606.db2.gz	PYKPDHQLJUVMHC-UHFFFAOYSA-N	0	0	307.350	2.414	10	5		DEBERN
CC[C@@H](NCc1nnnn1C(C)C)c1cccc([N+](=O)[O-])c1	ZINC000181562269	402649895	/nfs/dbraw/zinc/64/98/95/402649895.db2.gz	XKBXBTYVXDNYIC-CYBMUJFWSA-N	0	0	304.354	2.403	10	5		DEBERN
COC(=O)c1cc(C(=O)NC[C@@H](C)C(C)C)cc([N+](=O)[O-])c1	ZINC000172456864	402657530	/nfs/dbraw/zinc/65/75/30/402657530.db2.gz	PCKIZAOTIQZWHS-SNVBAGLBSA-N	0	0	308.334	2.403	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@@H](SC)C2)n1	ZINC000191621073	402682330	/nfs/dbraw/zinc/68/23/30/402682330.db2.gz	JENVESBHJOFAQM-VHSXEESVSA-N	0	0	312.395	2.215	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cnn(CC2CC2)c1	ZINC000173364238	402694487	/nfs/dbraw/zinc/69/44/87/402694487.db2.gz	YHDQAIPMHVWTSM-UHFFFAOYSA-N	0	0	301.306	2.157	10	5		DEBERN
COC(=O)C[C@H]1CSCCN1Cc1ccc([N+](=O)[O-])cc1C	ZINC000183362760	402760217	/nfs/dbraw/zinc/76/02/17/402760217.db2.gz	RDDNWGJKBKMKQY-AWEZNQCLSA-N	0	0	324.402	2.384	10	5		DEBERN
Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]2CCC[C@@H](C1)C2O	ZINC000194732985	402813193	/nfs/dbraw/zinc/81/31/93/402813193.db2.gz	BREDHTNDWPDNCW-ODOQXGPZSA-N	0	0	304.346	2.136	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1NCc1nnc(C2CC2)n1C	ZINC000194980721	402824845	/nfs/dbraw/zinc/82/48/45/402824845.db2.gz	WEGVTZYYZOALEC-UHFFFAOYSA-N	0	0	303.322	2.221	10	5		DEBERN
Cc1cccc(C(=O)N2CCN3CCCC[C@@H]3C2)c1[N+](=O)[O-]	ZINC000195070865	402829960	/nfs/dbraw/zinc/82/99/60/402829960.db2.gz	FGKDYBAXBKBMRU-CYBMUJFWSA-N	0	0	303.362	2.214	10	5		DEBERN
CC(C)n1ccnc1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O	ZINC000195516816	402849789	/nfs/dbraw/zinc/84/97/89/402849789.db2.gz	ZSEPNLOOJWDTHE-UHFFFAOYSA-N	0	0	314.301	2.168	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)OCCO2	ZINC000195518436	402850452	/nfs/dbraw/zinc/85/04/52/402850452.db2.gz	YYHCQKNSCAMPCN-UHFFFAOYSA-N	0	0	315.285	2.322	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1nncn1C	ZINC000273283706	402990691	/nfs/dbraw/zinc/99/06/91/402990691.db2.gz	IYTIJPWCICGKFX-RJCSOLBVSA-N	0	0	315.333	2.004	10	5		DEBERN
CCn1cnnc1[C@@H]1CCCN(c2cc(C)c([N+](=O)[O-])cn2)C1	ZINC000266830003	402995051	/nfs/dbraw/zinc/99/50/51/402995051.db2.gz	HCAXLFORKROFMM-GFCCVEGCSA-N	0	0	316.365	2.294	10	5		DEBERN
COC(=O)c1cc(N2CCO[C@@H](C)[C@@H]2C)cc(C)c1[N+](=O)[O-]	ZINC000268837073	403119553	/nfs/dbraw/zinc/11/95/53/403119553.db2.gz	URKYFGRMIKNHBZ-QWRGUYRKSA-N	0	0	308.334	2.303	10	5		DEBERN
Cc1cc(N[C@@H]2CCc3nc(C(C)C)nn3C2)ncc1[N+](=O)[O-]	ZINC000301428446	403628086	/nfs/dbraw/zinc/62/80/86/403628086.db2.gz	IOULISPHMUOFLM-LLVKDONJSA-N	0	0	316.365	2.440	10	5		DEBERN
Cc1cc(N[C@H](C)c2nnc3n2CCCC3)ncc1[N+](=O)[O-]	ZINC000301710224	403667488	/nfs/dbraw/zinc/66/74/88/403667488.db2.gz	JWMLHIAFBHHJSR-SNVBAGLBSA-N	0	0	302.338	2.399	10	5		DEBERN
COC(=O)c1cc(N[C@H]2CC[C@@H](CO)CC2)ccc1[N+](=O)[O-]	ZINC000301945873	403703706	/nfs/dbraw/zinc/70/37/06/403703706.db2.gz	BNBOPTZCYCXQDX-PHIMTYICSA-N	0	0	308.334	2.344	10	5		DEBERN
O=[N+]([O-])c1cnc2ccc(N3CCCC4(CCOCC4)C3)nn21	ZINC000372426274	404499319	/nfs/dbraw/zinc/49/93/19/404499319.db2.gz	UFKOACPDALPEHP-UHFFFAOYSA-N	0	0	317.349	2.035	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCO[C@@]3(CCOC3)C2)n1	ZINC000408172184	405130663	/nfs/dbraw/zinc/13/06/63/405130663.db2.gz	SYRZUVFSIRTEIF-DOMZBBRYSA-N	0	0	307.350	2.357	10	5		DEBERN
C[C@@H]1OCCC[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1	ZINC000408333004	405176413	/nfs/dbraw/zinc/17/64/13/405176413.db2.gz	YPJCMNAILULCLR-XHDPSFHLSA-N	0	0	304.346	2.295	10	5		DEBERN
O=C(NCCOCC1CCC1)NCc1cccc([N+](=O)[O-])c1	ZINC000568930071	292377255	/nfs/dbraw/zinc/37/72/55/292377255.db2.gz	NAANSNZEJQVRMM-UHFFFAOYSA-N	0	0	307.350	2.211	10	5		DEBERN
COc1cc([N+](=O)[O-])c(I)cc1C=O	ZINC000575728016	406825667	/nfs/dbraw/zinc/82/56/67/406825667.db2.gz	KZUMJZDYYYFKCZ-UHFFFAOYSA-N	0	0	307.043	2.021	10	5		DEBERN
C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1COc2ccccc21	ZINC000129051675	196015232	/nfs/dbraw/zinc/01/52/32/196015232.db2.gz	OGSIZASSTWFLPQ-KOLCDFICSA-N	0	0	302.286	2.482	10	5		DEBERN
O=[N+]([O-])c1cc(Cl)c(F)cc1N1CCC(OCCO)CC1	ZINC000129290519	196036943	/nfs/dbraw/zinc/03/69/43/196036943.db2.gz	WYCLLXJIJXWFRO-UHFFFAOYSA-N	0	0	318.732	2.365	10	5		DEBERN
C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)C1	ZINC000129849566	196080702	/nfs/dbraw/zinc/08/07/02/196080702.db2.gz	CXNSVQFKSAIQIH-SECBINFHSA-N	0	0	302.327	2.155	10	5		DEBERN
Cc1nc(N[C@@H](C)c2nnc3n2CCCC3)ccc1[N+](=O)[O-]	ZINC000131204328	196149850	/nfs/dbraw/zinc/14/98/50/196149850.db2.gz	OANUYPANKOQGSM-JTQLQIEISA-N	0	0	302.338	2.399	10	5		DEBERN
CC(C)[C@@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131239280	196151932	/nfs/dbraw/zinc/15/19/32/196151932.db2.gz	ZXJRQPSGEAFBEI-VIFPVBQESA-N	0	0	304.343	2.304	10	5		DEBERN
CCCCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(NC)c1	ZINC000131476626	196172424	/nfs/dbraw/zinc/17/24/24/196172424.db2.gz	JXYFZZOEKQPFRY-UHFFFAOYSA-N	0	0	301.368	2.105	10	5		DEBERN
CCCNc1cc(S(=O)(=O)N(C)CCC)ccc1[N+](=O)[O-]	ZINC000131899911	196208373	/nfs/dbraw/zinc/20/83/73/196208373.db2.gz	NJTJTZADMVMYOV-UHFFFAOYSA-N	0	0	315.395	2.447	10	5		DEBERN
C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)C1	ZINC000131988166	196216575	/nfs/dbraw/zinc/21/65/75/196216575.db2.gz	RKWSFVALCFJZTM-IUCAKERBSA-N	0	0	302.327	2.201	10	5		DEBERN
CC[C@@H](C)[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(NC)c1	ZINC000132123534	196228297	/nfs/dbraw/zinc/22/82/97/196228297.db2.gz	IUKNLFSYEFUPMG-ZJUUUORDSA-N	0	0	315.395	2.349	10	5		DEBERN
CC(C)N(CCCO)C(=O)c1cc(F)c([N+](=O)[O-])cc1F	ZINC000132185404	196233173	/nfs/dbraw/zinc/23/31/73/196233173.db2.gz	YCQKWVBBZHCBBJ-UHFFFAOYSA-N	0	0	302.277	2.106	10	5		DEBERN
Cc1c(F)cc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-]	ZINC000132475787	196259050	/nfs/dbraw/zinc/25/90/50/196259050.db2.gz	AGUXBFXXVFZVRC-UHFFFAOYSA-N	0	0	302.327	2.217	10	5		DEBERN
C[C@H]1SCCN(C(=O)c2cc(N)c(F)cc2[N+](=O)[O-])[C@H]1C	ZINC000133842993	196339652	/nfs/dbraw/zinc/33/96/52/196339652.db2.gz	JFESFULQZJWTJC-JGVFFNPUSA-N	0	0	313.354	2.282	10	5		DEBERN
CC[C@H]1CC[C@H](C)N1S(=O)(=O)c1cc([N+](=O)[O-])ccc1N	ZINC000136511001	196539315	/nfs/dbraw/zinc/53/93/15/196539315.db2.gz	BEMJPVXRAQHDGX-UWVGGRQHSA-N	0	0	313.379	2.129	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N(CC(C)C)CC(F)(F)F)n1	ZINC000191535454	225112215	/nfs/dbraw/zinc/11/22/15/225112215.db2.gz	SXAUDMVQPQBUMO-UHFFFAOYSA-N	0	0	322.287	2.472	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCc2cc(F)ccc2F)n1	ZINC000191601941	225113006	/nfs/dbraw/zinc/11/30/06/225113006.db2.gz	BABHEVWSPJAHMX-UHFFFAOYSA-N	0	0	310.260	2.019	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NC2(c3ccccc3F)CC2)n1	ZINC000191623409	225115063	/nfs/dbraw/zinc/11/50/63/225115063.db2.gz	GOWSOLPMIVPHPC-UHFFFAOYSA-N	0	0	318.308	2.369	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(F)ccc2OC)n1	ZINC000191696091	225116645	/nfs/dbraw/zinc/11/66/45/225116645.db2.gz	ILZFTFGYBUWRMJ-UHFFFAOYSA-N	0	0	308.269	2.211	10	5		DEBERN
CC(C)Cn1ccnc1NC(=O)COc1ccccc1[N+](=O)[O-]	ZINC000064661591	418485465	/nfs/dbraw/zinc/48/54/65/418485465.db2.gz	GMFSBRNZRHSLJK-UHFFFAOYSA-N	0	0	318.333	2.465	10	5		DEBERN
O=[N+]([O-])c1cnc2ccc(NCCN3Cc4ccccc4C3)nn21	ZINC000611240367	422475510	/nfs/dbraw/zinc/47/55/10/422475510.db2.gz	BJMGBMVGKGJCFF-UHFFFAOYSA-N	0	0	324.344	2.065	10	5		DEBERN
O=[N+]([O-])c1cnc2ccc(NC[C@H]3CCCCC3(F)F)nn21	ZINC000450582903	425077634	/nfs/dbraw/zinc/07/76/34/425077634.db2.gz	KZCMONLFNWTAEI-SECBINFHSA-N	0	0	311.292	2.875	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(N2CCN(c3cnccc3C)CC2)n1	ZINC000517772916	269392943	/nfs/dbraw/zinc/39/29/43/269392943.db2.gz	QIPISDNFZLRCLW-UHFFFAOYSA-N	0	0	313.361	2.328	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](O)[C@H]1C	ZINC000296872821	275729927	/nfs/dbraw/zinc/72/99/27/275729927.db2.gz	KATSQTURUTXXIX-UAJRFJEFSA-N	0	0	304.346	2.370	10	5		DEBERN
CC1(C)C[C@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000133251167	276149677	/nfs/dbraw/zinc/14/96/77/276149677.db2.gz	FXFPLUWOXUVTCT-LBPRGKRZSA-N	0	0	303.362	2.290	10	5		DEBERN
C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CCC1=O	ZINC000275446540	277922192	/nfs/dbraw/zinc/92/21/92/277922192.db2.gz	XAZSOBKULWFENY-SSDOTTSWSA-N	0	0	314.139	2.168	10	5		DEBERN
CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000184700554	278974159	/nfs/dbraw/zinc/97/41/59/278974159.db2.gz	NPHCRFCNNILZIV-NSHDSACASA-N	0	0	309.366	2.007	10	5		DEBERN
O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1	ZINC000408008670	280368876	/nfs/dbraw/zinc/36/88/76/280368876.db2.gz	FWBMDBCPNXKQRI-XJKSGUPXSA-N	0	0	306.362	2.427	10	5		DEBERN
CC[C@H]1CN(c2nc(C)cc(C)c2[N+](=O)[O-])C[C@]2(CCOC2)O1	ZINC000408335373	288302116	/nfs/dbraw/zinc/30/21/16/288302116.db2.gz	HARGBUCGQXKLPI-BBRMVZONSA-N	0	0	321.377	2.381	10	5		DEBERN
CC[C@H](Nc1cncc(OCCO)n1)c1cccc([N+](=O)[O-])c1	ZINC000133145786	282009756	/nfs/dbraw/zinc/00/97/56/282009756.db2.gz	WFJKWNQFUGRTQJ-ZDUSSCGKSA-N	0	0	318.333	2.319	10	5		DEBERN
Cc1csc([C@@H]2COCCN2c2ccc([N+](=O)[O-])cn2)n1	ZINC000189135200	293059341	/nfs/dbraw/zinc/05/93/41/293059341.db2.gz	KPZZYDKHVOVTOV-NSHDSACASA-N	0	0	306.347	2.333	10	5		DEBERN
Nc1ccc([N+](=O)[O-])c(N2CCN(c3ccc(F)cn3)CC2)c1	ZINC000374586876	295356458	/nfs/dbraw/zinc/35/64/58/295356458.db2.gz	QUMLXLUGWXDQGR-UHFFFAOYSA-N	0	0	317.324	2.038	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]2[C@H]2COCC[C@H]2O)c1	ZINC000408172149	301852472	/nfs/dbraw/zinc/85/24/72/301852472.db2.gz	SIOPDSQCUWNKAJ-XJKCOSOUSA-N	0	0	306.362	2.269	10	5		DEBERN
CC(C)(C(=O)NC[C@H](CO)C1CC1)c1ccc([N+](=O)[O-])cc1F	ZINC000358304631	534346570	/nfs/dbraw/zinc/34/65/70/534346570.db2.gz	LKZFWAGVWLHQAW-LLVKDONJSA-N	0	0	324.352	2.146	10	5		DEBERN
CN(C(=O)CSC1CCOCC1)c1ccc([N+](=O)[O-])cc1	ZINC000131333582	523836802	/nfs/dbraw/zinc/83/68/02/523836802.db2.gz	ITSOLNSPSXKECW-UHFFFAOYSA-N	0	0	310.375	2.470	10	5		DEBERN
CCOC(=O)[C@H]1CC[C@@H](Nc2cc(CO)ccc2[N+](=O)[O-])C1	ZINC000302053460	528074204	/nfs/dbraw/zinc/07/42/04/528074204.db2.gz	PTCBRQVOQFLKAM-NWDGAFQWSA-N	0	0	308.334	2.231	10	5		DEBERN
CCC(=O)N1CC[C@H](Nc2cc(OC)cc(F)c2[N+](=O)[O-])C1	ZINC000301649953	528380770	/nfs/dbraw/zinc/38/07/70/528380770.db2.gz	GAJXYNUBXNRZGA-VIFPVBQESA-N	0	0	311.313	2.165	10	5		DEBERN
CCOc1ccc(C(=O)NCC(C)(C)CCO)cc1[N+](=O)[O-]	ZINC000448250395	528399314	/nfs/dbraw/zinc/39/93/14/528399314.db2.gz	VBMXVQUZKZUZAC-UHFFFAOYSA-N	0	0	310.350	2.132	10	5		DEBERN
CC[C@H](c1ccncc1)N(C)C(=O)c1nn(CC)cc1[N+](=O)[O-]	ZINC000191626697	529186469	/nfs/dbraw/zinc/18/64/69/529186469.db2.gz	ZMTOLRTUCCVPTO-GFCCVEGCSA-N	0	0	317.349	2.430	10	5		DEBERN
COC[C@@](C)(NC(=O)Cc1cccc([N+](=O)[O-])c1)C(F)(F)F	ZINC000362207687	536803589	/nfs/dbraw/zinc/80/35/89/536803589.db2.gz	LBUNLXOQMXXIEK-GFCCVEGCSA-N	0	0	320.267	2.221	10	5		DEBERN
O=C(/C=C/c1ccccc1Cl)OCCn1cnc([N+](=O)[O-])n1	ZINC000176680961	624898091	/nfs/dbraw/zinc/89/80/91/624898091.db2.gz	CTPIHBOHDCBBQS-AATRIKPKSA-N	0	0	322.708	2.096	10	5		DEBERN
Cc1ccc(CCCC(=O)OCCn2cnc([N+](=O)[O-])n2)cc1	ZINC000176691605	624911508	/nfs/dbraw/zinc/91/15/08/624911508.db2.gz	GGBTWUPIVWLEND-UHFFFAOYSA-N	0	0	318.333	2.061	10	5		DEBERN
O=C(/C=C\c1ccccc1Cl)OCCn1cnc([N+](=O)[O-])n1	ZINC000255567242	625107948	/nfs/dbraw/zinc/10/79/48/625107948.db2.gz	CTPIHBOHDCBBQS-WAYWQWQTSA-N	0	0	322.708	2.096	10	5		DEBERN
CCc1ccc(OC(=O)CCc2ccnn2C)c([N+](=O)[O-])c1	ZINC000125894910	635179673	/nfs/dbraw/zinc/17/96/73/635179673.db2.gz	MFVDXIWNXSGPFA-UHFFFAOYSA-N	0	0	303.318	2.429	10	5		DEBERN
O=[N+]([O-])c1ccnn1CN1CCC[C@@H]1c1ccc2c(c1)OCO2	ZINC000102921167	650290383	/nfs/dbraw/zinc/29/03/83/650290383.db2.gz	RYJFIOCKALATIR-GFCCVEGCSA-N	0	0	316.317	2.315	10	5		DEBERN
COC(=O)/C(C)=C/COC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1	ZINC000748180299	638522890	/nfs/dbraw/zinc/52/28/90/638522890.db2.gz	RJSHHJRMCJLBCT-WEVVVXLNSA-N	0	0	318.285	2.352	10	5		DEBERN
CCOC(=O)[C@@H](CC1CC1)NC(=O)c1cc(C)cc([N+](=O)[O-])c1	ZINC000752382504	639177470	/nfs/dbraw/zinc/17/74/70/639177470.db2.gz	JGENFAFGDTYGML-CQSZACIVSA-N	0	0	320.345	2.365	10	5		DEBERN
CCOC(=O)[C@@H](CC1CC1)NC(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000752385790	639178579	/nfs/dbraw/zinc/17/85/79/639178579.db2.gz	WCYNJMYGLYRNHX-CYBMUJFWSA-N	0	0	324.308	2.196	10	5		DEBERN
C/C(=C\C(=O)N1CCC(C)(O)CC1)c1ccc([N+](=O)[O-])cc1	ZINC000752559078	639197675	/nfs/dbraw/zinc/19/76/75/639197675.db2.gz	FJCDCMMVNXKKDB-VAWYXSNFSA-N	0	0	304.346	2.372	10	5		DEBERN
Cc1nc2c(nccc2C(=O)N2CCc3c2cccc3[N+](=O)[O-])[nH]1	ZINC000435457160	642204741	/nfs/dbraw/zinc/20/47/41/642204741.db2.gz	DDZORAKMCPORKN-UHFFFAOYSA-N	0	0	323.312	2.377	10	5		DEBERN
Cc1nc2c(nccc2C(=O)NCc2ccc([N+](=O)[O-])cc2)[nH]1	ZINC000436126962	643081383	/nfs/dbraw/zinc/08/13/83/643081383.db2.gz	DOEVPQAJVVJYEH-UHFFFAOYSA-N	0	0	311.301	2.105	10	5		DEBERN
O=C(CCCNc1ccc([N+](=O)[O-])cc1)OC[C@@H]1CCOC1	ZINC000103657646	645440006	/nfs/dbraw/zinc/44/00/06/645440006.db2.gz	CWSBHVCCWOPGHR-GFCCVEGCSA-N	0	0	308.334	2.367	10	5		DEBERN
Nc1ccc(N2CCC(C(=O)N3CCCC3)CC2)c([N+](=O)[O-])c1	ZINC000804337606	645757024	/nfs/dbraw/zinc/75/70/24/645757024.db2.gz	GFLYQPMRFWIOQN-UHFFFAOYSA-N	0	0	318.377	2.016	10	5		DEBERN
CCO[C@@H]1C[C@@H](N(C)Cn2nccc2[N+](=O)[O-])C12CCCC2	ZINC000156505805	646430097	/nfs/dbraw/zinc/43/00/97/646430097.db2.gz	COOBRWJVOUQINJ-CHWSQXEVSA-N	0	0	308.382	2.418	10	5		DEBERN
O=C(NOCc1cccnc1)c1c[nH]c2ccc([N+](=O)[O-])cc21	ZINC000153272317	647402831	/nfs/dbraw/zinc/40/28/31/647402831.db2.gz	LYMFPZIXTRJJNB-UHFFFAOYSA-N	0	0	312.285	2.333	10	5		DEBERN
Cc1ccn2ncc(C(=O)OCc3ccc([N+](=O)[O-])cc3)c2n1	ZINC000068647337	648487526	/nfs/dbraw/zinc/48/75/26/648487526.db2.gz	BPCRHTRUXBXHSR-UHFFFAOYSA-N	0	0	312.285	2.303	10	5		DEBERN
COc1ccc(OC(=O)CCOCC(F)(F)F)c([N+](=O)[O-])c1	ZINC000074451148	683931466	/nfs/dbraw/zinc/93/14/66/683931466.db2.gz	JPPNFXZBESYOPS-UHFFFAOYSA-N	0	0	323.223	2.478	10	5		DEBERN
CCc1ccc(C(=O)OC[C@@H]2CC(=O)N(CC)C2)cc1[N+](=O)[O-]	ZINC000080294218	683980663	/nfs/dbraw/zinc/98/06/63/683980663.db2.gz	FFGNPIGADOUOJP-LLVKDONJSA-N	0	0	320.345	2.182	10	5		DEBERN
CN(C)c1nc(CN2CCc3cc([N+](=O)[O-])ccc32)ns1	ZINC000089657707	684024996	/nfs/dbraw/zinc/02/49/96/684024996.db2.gz	JQHIERSPCZUVCS-UHFFFAOYSA-N	0	0	305.363	2.075	10	5		DEBERN
Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1scnc1C1CC1	ZINC000089967435	684028320	/nfs/dbraw/zinc/02/83/20/684028320.db2.gz	LLWXMSYFPRFFEA-UHFFFAOYSA-N	0	0	322.346	2.291	10	5		DEBERN
C[C@@H](COC(=O)Cn1ccc([N+](=O)[O-])n1)COc1ccccc1	ZINC000129177328	684177124	/nfs/dbraw/zinc/17/71/24/684177124.db2.gz	PXUWRVUBBPOIQA-GFCCVEGCSA-N	0	0	319.317	2.050	10	5		DEBERN
O=C(Cn1cc([N+](=O)[O-])cn1)O[C@H]1CCCc2ccccc21	ZINC000193651034	685046082	/nfs/dbraw/zinc/04/60/82/685046082.db2.gz	HATPWYQCUOCUCI-AWEZNQCLSA-N	0	0	301.302	2.412	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)NC(C)C	ZINC000588445195	777199949	/nfs/dbraw/zinc/19/99/49/777199949.db2.gz	SJGYJAFTADGLKL-FLIBITNWSA-N	0	0	306.318	2.066	10	5		DEBERN
CCCNC(=O)CCNC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1	ZINC000588444644	777200007	/nfs/dbraw/zinc/20/00/07/777200007.db2.gz	LICTZGQMGZDQRF-QXMHVHEDSA-N	0	0	319.361	2.031	10	5		DEBERN
CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CCCO1	ZINC000076745219	185037762	/nfs/dbraw/zinc/03/77/62/185037762.db2.gz	QBULQAIFIIBFNL-ZDUSSCGKSA-N	0	0	318.333	2.256	10	5		DEBERN
Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000081163576	282104241	/nfs/dbraw/zinc/10/42/41/282104241.db2.gz	NGKARAHMYJQWIV-GFCCVEGCSA-N	0	0	316.321	2.151	10	5		DEBERN
C[C@@H](CS(C)(=O)=O)Nc1ccc2scnc2c1[N+](=O)[O-]	ZINC000081904423	192336555	/nfs/dbraw/zinc/33/65/55/192336555.db2.gz	PNHKMPXGZWZBJF-ZETCQYMHSA-N	0	0	315.376	2.050	10	5		DEBERN
Cn1cccc1[C@H](O)CNC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000077101690	185108418	/nfs/dbraw/zinc/10/84/18/185108418.db2.gz	KAQXXUZAXHFCKQ-CYBMUJFWSA-N	0	0	323.736	2.050	10	5		DEBERN
COC(=O)C[C@@H](C)SCC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000078814347	185114229	/nfs/dbraw/zinc/11/42/29/185114229.db2.gz	KMERMJIFZFOBNR-SECBINFHSA-N	0	0	312.347	2.218	10	5		DEBERN
Cn1cc([C@H]2CCN(c3ncnc4cccc([N+](=O)[O-])c43)C2)cn1	ZINC000612444833	361830199	/nfs/dbraw/zinc/83/01/99/361830199.db2.gz	VJLVGLJXAGHIDI-NSHDSACASA-N	0	0	324.344	2.265	10	5		DEBERN
CCc1ccc(CCNC(=O)c2nn(CC)cc2[N+](=O)[O-])cc1	ZINC000191623085	529629912	/nfs/dbraw/zinc/62/99/12/529629912.db2.gz	WOWKNJMYENDHQV-UHFFFAOYSA-N	0	0	316.361	2.346	10	5		DEBERN
Cc1csc(CNC(=O)c2ccnc(Cl)c2[N+](=O)[O-])n1	ZINC000088805336	185266257	/nfs/dbraw/zinc/26/62/57/185266257.db2.gz	RGLRWWIQSSBYIA-UHFFFAOYSA-N	0	0	312.738	2.338	10	5		DEBERN
COC(=O)[C@@H](C)C[S@](=O)Cc1ccc([N+](=O)[O-])cc1Cl	ZINC000090105160	185282533	/nfs/dbraw/zinc/28/25/33/185282533.db2.gz	CFNDQJAJMXUMDS-FFVOIRBGSA-N	0	0	319.766	2.306	10	5		DEBERN
COc1cc(Sc2ncc(CO)n2C)c([N+](=O)[O-])cc1F	ZINC000090244017	185288215	/nfs/dbraw/zinc/28/82/15/185288215.db2.gz	LZAIVAZSDJOEHD-UHFFFAOYSA-N	0	0	313.310	2.120	10	5		DEBERN
CCc1nc(C(C)(C)NCCOc2ccc([N+](=O)[O-])cc2)no1	ZINC000441247792	529714197	/nfs/dbraw/zinc/71/41/97/529714197.db2.gz	LFRBZKWPJZFUQD-UHFFFAOYSA-N	0	0	320.349	2.444	10	5		DEBERN
O=C(NCc1ccc([N+](=O)[O-])cc1)c1cn2ccnc2s1	ZINC000188341089	282297763	/nfs/dbraw/zinc/29/77/63/282297763.db2.gz	KKAIFPOPSKZRKM-UHFFFAOYSA-N	0	0	302.315	2.234	10	5		DEBERN
O=C(Cn1cc(Cl)c([N+](=O)[O-])n1)c1ccc([N+](=O)[O-])cc1	ZINC000070217402	190872680	/nfs/dbraw/zinc/87/26/80/190872680.db2.gz	JNHFDDVGQQOOGQ-UHFFFAOYSA-N	0	0	310.653	2.236	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC3(CCC3)C2)s1	ZINC000127032971	185914337	/nfs/dbraw/zinc/91/43/37/185914337.db2.gz	DBCFQWXBIKVHIE-UHFFFAOYSA-N	0	0	302.377	2.221	10	5		DEBERN
CNc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2C)c([N+](=O)[O-])c1	ZINC000071211339	190942432	/nfs/dbraw/zinc/94/24/32/190942432.db2.gz	ZGSQVICBSBYBSW-MWLCHTKSSA-N	0	0	313.379	2.103	10	5		DEBERN
CNc1ccc(S(=O)(=O)N[C@H](C)C2CCC2)c([N+](=O)[O-])c1	ZINC000138105972	186014482	/nfs/dbraw/zinc/01/44/82/186014482.db2.gz	KMNXKFMZJYGWNH-SECBINFHSA-N	0	0	313.379	2.103	10	5		DEBERN
C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)N1C	ZINC000141956393	186031543	/nfs/dbraw/zinc/03/15/43/186031543.db2.gz	LDKDVBXLROBKTQ-NXEZZACHSA-N	0	0	311.769	2.413	10	5		DEBERN
CNc1nc(Cl)nc(Oc2cc([N+](=O)[O-])ccc2OC)n1	ZINC000147852848	186042134	/nfs/dbraw/zinc/04/21/34/186042134.db2.gz	GZOXHGOPEUGQAM-UHFFFAOYSA-N	0	0	311.685	2.276	10	5		DEBERN
C[C@H](N)c1nc(C(=O)Nc2cc(F)ccc2[N+](=O)[O-])cs1	ZINC000149106343	186048074	/nfs/dbraw/zinc/04/80/74/186048074.db2.gz	FYMNBLPTRBOWFA-LURJTMIESA-N	0	0	310.310	2.462	10	5		DEBERN
O=C1COc2cc([N+](=O)[O-])c(NC[C@@H]3CCCS3)cc2N1	ZINC000150089421	186054497	/nfs/dbraw/zinc/05/44/97/186054497.db2.gz	JWIRQVCGHSBJMV-QMMMGPOBSA-N	0	0	309.347	2.233	10	5		DEBERN
CCCOc1nc(N)nc(Sc2ccccc2[N+](=O)[O-])n1	ZINC000150176897	186055290	/nfs/dbraw/zinc/05/52/90/186055290.db2.gz	FMCHROMGZSKGBB-UHFFFAOYSA-N	0	0	307.335	2.302	10	5		DEBERN
CNc1nc(Sc2ccccc2[N+](=O)[O-])nc(N(C)C)n1	ZINC000150179572	186055436	/nfs/dbraw/zinc/05/54/36/186055436.db2.gz	KWXAXDUSZKOEMO-UHFFFAOYSA-N	0	0	306.351	2.039	10	5		DEBERN
CN(C[C@H]1CCCO1)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2	ZINC000171069904	197874644	/nfs/dbraw/zinc/87/46/44/197874644.db2.gz	UMOLWQFTWBMATN-LLVKDONJSA-N	0	0	305.334	2.095	10	5		DEBERN
CC(C)[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1	ZINC000265140678	186337945	/nfs/dbraw/zinc/33/79/45/186337945.db2.gz	QGEBKWKJNFMXOM-NSHDSACASA-N	0	0	306.366	2.351	10	5		DEBERN
Cc1cnn(CCNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1	ZINC000172277305	198069746	/nfs/dbraw/zinc/06/97/46/198069746.db2.gz	SZPWCTSQPBTWFC-LBPRGKRZSA-N	0	0	317.349	2.160	10	5		DEBERN
CC(=O)NC(C)(C)c1noc(-c2ccc([N+](=O)[O-])cc2C)n1	ZINC000072550014	191190762	/nfs/dbraw/zinc/19/07/62/191190762.db2.gz	URWQBPGHQUFUIC-UHFFFAOYSA-N	0	0	304.306	2.324	10	5		DEBERN
CC[C@@H](NC(=O)NCc1ccnn1C)c1cccc([N+](=O)[O-])c1	ZINC000175838531	198515233	/nfs/dbraw/zinc/51/52/33/198515233.db2.gz	SPUVKSQYKUIUMT-CQSZACIVSA-N	0	0	317.349	2.279	10	5		DEBERN
CC(C)(C)OC(=O)N[C@@H](CCC[N+](=O)[O-])C(=O)OC(C)(C)C	ZINC000035812133	354164548	/nfs/dbraw/zinc/16/45/48/354164548.db2.gz	GTZPWXOLLLSOOT-JTQLQIEISA-N	0	0	318.370	2.278	10	5		DEBERN
Cc1ccccc1OCCNC(=O)c1cc([N+](=O)[O-])cnc1C	ZINC000055954909	354517725	/nfs/dbraw/zinc/51/77/25/354517725.db2.gz	NKHHGYSEAGDALI-UHFFFAOYSA-N	0	0	315.329	2.415	10	5		DEBERN
CC(=O)c1ccc(N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c([N+](=O)[O-])c1	ZINC000078565573	355267787	/nfs/dbraw/zinc/26/77/87/355267787.db2.gz	LCUFELQNPAFBFN-MRCXROJRSA-N	0	0	317.345	2.219	10	5		DEBERN
CCN(CC)C(=O)[C@H]1CCCN1c1cc(C)c([N+](=O)[O-])cn1	ZINC000080601077	355373658	/nfs/dbraw/zinc/37/36/58/355373658.db2.gz	MKTIOTRADOGILV-GFCCVEGCSA-N	0	0	306.366	2.135	10	5		DEBERN
Cc1ccc(C(=O)N2CC[C@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-]	ZINC000078026159	191807916	/nfs/dbraw/zinc/80/79/16/191807916.db2.gz	ZJQQRGISQOTYLM-GFCCVEGCSA-N	0	0	318.251	2.043	10	5		DEBERN
CC(=O)c1ccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1Cl	ZINC000180585453	356054610	/nfs/dbraw/zinc/05/46/10/356054610.db2.gz	LVHLHAVXVNJXMF-UHFFFAOYSA-N	0	0	322.708	2.286	10	5		DEBERN
CCN(Cc1ccc([N+](=O)[O-])cc1C)[C@@H](C)CS(C)(=O)=O	ZINC000183347460	356168999	/nfs/dbraw/zinc/16/89/99/356168999.db2.gz	RSFOBCBFUOVJCF-LBPRGKRZSA-N	0	0	314.407	2.158	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)c1nccs1	ZINC000183505764	356173872	/nfs/dbraw/zinc/17/38/72/356173872.db2.gz	DLWUNKUDUCVXEG-MRVPVSSYSA-N	0	0	306.347	2.288	10	5		DEBERN
Cc1cc(C(=O)NCC(=O)NC[C@H](C)C(C)C)ccc1[N+](=O)[O-]	ZINC000183656579	356178508	/nfs/dbraw/zinc/17/85/08/356178508.db2.gz	GCZWVKRIESCMEO-LBPRGKRZSA-N	0	0	321.377	2.041	10	5		DEBERN
Cc1nnc(CN(C)Cc2ccccc2[N+](=O)[O-])n1C1CC1	ZINC000195067711	356248958	/nfs/dbraw/zinc/24/89/58/356248958.db2.gz	CLNLXIKAHYPZRU-UHFFFAOYSA-N	0	0	301.350	2.462	10	5		DEBERN
O=C(NCCc1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000005682737	181272230	/nfs/dbraw/zinc/27/22/30/181272230.db2.gz	CQDAFOCGYLYRCH-UHFFFAOYSA-N	0	0	315.285	2.476	10	5		DEBERN
CCOC(=O)c1cn2c(n1)c([N+](=O)[O-])ccc2Br	ZINC000504224096	356741114	/nfs/dbraw/zinc/74/11/14/356741114.db2.gz	HVZSHHHVNWZQQT-UHFFFAOYSA-N	0	0	314.095	2.182	10	5		DEBERN
Cc1nc(N[C@@H]2CCCN(c3ncccn3)C2)ccc1[N+](=O)[O-]	ZINC000178019836	198805005	/nfs/dbraw/zinc/80/50/05/198805005.db2.gz	JDOZVVOIBWOTIZ-GFCCVEGCSA-N	0	0	314.349	2.169	10	5		DEBERN
CC(C)C[C@H](CO)N(C)C(=O)CCNc1ccccc1[N+](=O)[O-]	ZINC000187141275	200067776	/nfs/dbraw/zinc/06/77/76/200067776.db2.gz	ZBQIWVRRLITTLT-CYBMUJFWSA-N	0	0	323.393	2.262	10	5		DEBERN
O=C([C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1)N1CCCC1	ZINC000609514460	361316822	/nfs/dbraw/zinc/31/68/22/361316822.db2.gz	KQKWNTTUPBKXIJ-ZDUSSCGKSA-N	0	0	303.362	2.434	10	5		DEBERN
Cc1cnc(N[C@@H]2CCc3nc(C(C)C)nn3C2)c([N+](=O)[O-])c1	ZINC000610284128	361379938	/nfs/dbraw/zinc/37/99/38/361379938.db2.gz	ZRRGGGJAIMPPSU-LLVKDONJSA-N	0	0	316.365	2.440	10	5		DEBERN
C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)c1ccncc1	ZINC000610526653	361417118	/nfs/dbraw/zinc/41/71/18/361417118.db2.gz	YZLXFEUEQDROQD-JTQLQIEISA-N	0	0	300.318	2.106	10	5		DEBERN
O=[N+]([O-])c1ccc2oc(CN3CCSC[C@H]3CCO)nc2c1	ZINC000610737434	361455828	/nfs/dbraw/zinc/45/58/28/361455828.db2.gz	KFMIZHTYQLDWCJ-LLVKDONJSA-N	0	0	323.374	2.036	10	5		DEBERN
COc1cc(N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c(F)cc1[N+](=O)[O-]	ZINC000611256034	361563500	/nfs/dbraw/zinc/56/35/00/361563500.db2.gz	FUPKNHPVZYSDAX-LNLATYFQSA-N	0	0	323.324	2.164	10	5		DEBERN
NC(=O)c1cc([N+](=O)[O-])cnc1NC1CCC(F)(F)CC1	ZINC000611182614	361543185	/nfs/dbraw/zinc/54/31/85/361543185.db2.gz	YAGVZHUMYXPLJX-UHFFFAOYSA-N	0	0	300.265	2.079	10	5		DEBERN
Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCc2ccccc21	ZINC000180491657	283695830	/nfs/dbraw/zinc/69/58/30/283695830.db2.gz	UHVDCACHPHJASC-AWEZNQCLSA-N	0	0	312.329	2.379	10	5		DEBERN
CC[C@@H](NS(=O)(=O)C[C@@H](C)OC)c1cccc([N+](=O)[O-])c1	ZINC000195337768	201382175	/nfs/dbraw/zinc/38/21/75/201382175.db2.gz	LMAKGCAGZGOFCL-ZWNOBZJWSA-N	0	0	316.379	2.000	10	5		DEBERN
CC1(C)CCC[C@H]1NS(=O)(=O)c1ccc(N)cc1[N+](=O)[O-]	ZINC000094332270	193359701	/nfs/dbraw/zinc/35/97/01/193359701.db2.gz	GFUQZZIRMRTLTH-GFCCVEGCSA-N	0	0	313.379	2.034	10	5		DEBERN
Cc1cc(NC(=O)[C@@](C)(N)C(F)(F)F)c([N+](=O)[O-])cc1C	ZINC000094237591	193353455	/nfs/dbraw/zinc/35/34/55/193353455.db2.gz	QTGXTCLBXGNXPZ-LLVKDONJSA-N	0	0	305.256	2.430	10	5		DEBERN
CNc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C)cc1[N+](=O)[O-]	ZINC000094780350	193397964	/nfs/dbraw/zinc/39/79/64/193397964.db2.gz	GQDRBLQSCHDLNT-JTQLQIEISA-N	0	0	313.379	2.118	10	5		DEBERN
Cc1cc(N)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)CC(C)C	ZINC000094780522	193398032	/nfs/dbraw/zinc/39/80/32/193398032.db2.gz	OMDRSICRURAZAL-JTQLQIEISA-N	0	0	315.395	2.198	10	5		DEBERN
C[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)c1cccc(Cl)c1	ZINC000160294921	197398634	/nfs/dbraw/zinc/39/86/34/197398634.db2.gz	YNQNJTTYIVAYJR-MRVPVSSYSA-N	0	0	308.725	2.473	10	5		DEBERN
O=[N+]([O-])c1ccc(NCc2nnc3ccccn32)c([N+](=O)[O-])c1	ZINC000020669185	182241926	/nfs/dbraw/zinc/24/19/26/182241926.db2.gz	AWCZXPYZHIDQRH-UHFFFAOYSA-N	0	0	314.261	2.158	10	5		DEBERN
O=[N+]([O-])c1c(N2CCC[C@@H]2Cn2ccnc2)nc2sccn21	ZINC000267355048	206006506	/nfs/dbraw/zinc/00/65/06/206006506.db2.gz	HDACTMCYPZIWOA-SNVBAGLBSA-N	0	0	318.362	2.170	10	5		DEBERN
COC(=O)[C@H](C)Nc1ccc(Br)cc1[N+](=O)[O-]	ZINC000035661052	182784489	/nfs/dbraw/zinc/78/44/89/182784489.db2.gz	UONXLTQLANBJQX-LURJTMIESA-N	0	0	303.112	2.331	10	5		DEBERN
COC(=O)CCNC(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1	ZINC000037974703	182946787	/nfs/dbraw/zinc/94/67/87/182946787.db2.gz	CJPWOSGGPZPGGV-UHFFFAOYSA-N	0	0	321.116	2.195	10	5		DEBERN
CC(=O)c1cccc(Nc2ncnc(N(C)C)c2[N+](=O)[O-])c1	ZINC000040593135	183106838	/nfs/dbraw/zinc/10/68/38/183106838.db2.gz	PVHVIOKIMCVJIP-UHFFFAOYSA-N	0	0	301.306	2.397	10	5		DEBERN
CN(C)N=c1nc[nH]c(Nc2ccc(F)cc2F)c1[N+](=O)[O-]	ZINC000040628967	183111005	/nfs/dbraw/zinc/11/10/05/183111005.db2.gz	NMFYZFASBQKFEN-UHFFFAOYSA-N	0	0	310.264	2.295	10	5		DEBERN
Cc1nc(CNc2cc3c(cc2[N+](=O)[O-])CC(=O)N3)cs1	ZINC000041011102	183155703	/nfs/dbraw/zinc/15/57/03/183155703.db2.gz	QKSWNKYQDJBOLY-UHFFFAOYSA-N	0	0	304.331	2.466	10	5		DEBERN
O=C(NCc1ccncc1)c1cc([N+](=O)[O-])c(F)c(F)c1F	ZINC000041132114	183171178	/nfs/dbraw/zinc/17/11/78/183171178.db2.gz	COZKRTXTXGCISE-UHFFFAOYSA-N	0	0	311.219	2.337	10	5		DEBERN
Cc1cc(NS(=O)(=O)c2ccc(O)cc2)ccc1[N+](=O)[O-]	ZINC000043570302	183372612	/nfs/dbraw/zinc/37/26/12/183372612.db2.gz	PKCFHNWPXVLKJN-UHFFFAOYSA-N	0	0	308.315	2.410	10	5		DEBERN
Cc1nn(Cc2ccccc2[N+](=O)[O-])c(N)c1Br	ZINC000043668460	183378679	/nfs/dbraw/zinc/37/86/79/183378679.db2.gz	BRRALBQIFBHYDS-UHFFFAOYSA-N	0	0	311.139	2.493	10	5		DEBERN
O=C(c1cccc([N+](=O)[O-])c1Br)N1CCCO1	ZINC000180895576	284706026	/nfs/dbraw/zinc/70/60/26/284706026.db2.gz	LCIKPZDFSIUIIR-UHFFFAOYSA-N	0	0	301.096	2.135	10	5		DEBERN
Cc1cc(C(=O)N[C@H]2COc3ccccc32)c(N)c([N+](=O)[O-])c1	ZINC000104872977	194048472	/nfs/dbraw/zinc/04/84/72/194048472.db2.gz	FEWBIHDAIAAZHR-LBPRGKRZSA-N	0	0	313.313	2.349	10	5		DEBERN
O=[N+]([O-])c1cc(CN2CCCN(c3cccnn3)CC2)cs1	ZINC000105800010	194131766	/nfs/dbraw/zinc/13/17/66/194131766.db2.gz	HJOBHGFWFUQIOG-UHFFFAOYSA-N	0	0	319.390	2.159	10	5		DEBERN
CNc1ccc(S(=O)(=O)N(C)[C@@H](C)C(C)C)cc1[N+](=O)[O-]	ZINC000050657617	183795589	/nfs/dbraw/zinc/79/55/89/183795589.db2.gz	PDMLJZYAYYFEFB-JTQLQIEISA-N	0	0	315.395	2.302	10	5		DEBERN
CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C)C1	ZINC000050669580	183796665	/nfs/dbraw/zinc/79/66/65/183796665.db2.gz	MJRNIBVLLUOJFE-JTQLQIEISA-N	0	0	313.379	2.057	10	5		DEBERN
CCNc1nc(Cn2cc([N+](=O)[O-])cn2)nc2sccc21	ZINC000050818260	183805477	/nfs/dbraw/zinc/80/54/77/183805477.db2.gz	GARSFEWTASZULD-UHFFFAOYSA-N	0	0	304.335	2.276	10	5		DEBERN
CCCCC[C@H](C)NS(=O)(=O)c1ccc(N)cc1[N+](=O)[O-]	ZINC000050677540	183799901	/nfs/dbraw/zinc/79/99/01/183799901.db2.gz	UXZBVJAYQURTIZ-JTQLQIEISA-N	0	0	315.395	2.424	10	5		DEBERN
CCN(C1CC1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1	ZINC000157405406	197184936	/nfs/dbraw/zinc/18/49/36/197184936.db2.gz	FTZQHAUFDACATB-UHFFFAOYSA-N	0	0	310.784	2.483	10	5		DEBERN
Cc1sc(C(=O)NCC[S@](=O)C(C)(C)C)cc1[N+](=O)[O-]	ZINC000112302608	194455447	/nfs/dbraw/zinc/45/54/47/194455447.db2.gz	SCHGVAJNCUDENI-HXUWFJFHSA-N	0	0	318.420	2.242	10	5		DEBERN
C[C@H](NC(=O)c1ccc(NN)c([N+](=O)[O-])c1)c1ccsc1	ZINC000061374320	184169612	/nfs/dbraw/zinc/16/96/12/184169612.db2.gz	MQIZHGWCSDUDMX-QMMMGPOBSA-N	0	0	306.347	2.433	10	5		DEBERN
CCCn1c(=O)[nH]nc1Sc1nc(Cl)ccc1[N+](=O)[O-]	ZINC000061596001	184176663	/nfs/dbraw/zinc/17/66/63/184176663.db2.gz	UNIMNCYRARPCRD-UHFFFAOYSA-N	0	0	315.742	2.089	10	5		DEBERN
CCC[NH2+][C@@H](CCOc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)[O-]	ZINC000062595623	184244270	/nfs/dbraw/zinc/24/42/70/184244270.db2.gz	PGVCQRIUYGEPGM-NSHDSACASA-N	0	0	316.741	2.470	10	5		DEBERN
CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1(C)C	ZINC000063074915	184269133	/nfs/dbraw/zinc/26/91/33/184269133.db2.gz	VXLCDRLQASZVGC-UHFFFAOYSA-N	0	0	313.379	2.200	10	5		DEBERN
CC(C)CC[C@H](C)NS(=O)(=O)c1ccc(N)cc1[N+](=O)[O-]	ZINC000069236025	184505268	/nfs/dbraw/zinc/50/52/68/184505268.db2.gz	KRVBNAQGJQFZRZ-JTQLQIEISA-N	0	0	315.395	2.280	10	5		DEBERN
C[C@H]1C[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1	ZINC000159080063	197325787	/nfs/dbraw/zinc/32/57/87/197325787.db2.gz	UHUCKEFWQLRTLZ-WDSKDSINSA-N	0	0	310.784	2.244	10	5		DEBERN
O=[N+]([O-])c1ccc(F)c2c(I)n[nH]c21	ZINC000014985741	285117514	/nfs/dbraw/zinc/11/75/14/285117514.db2.gz	YJYHFSNDHSMGLV-UHFFFAOYSA-N	0	0	307.022	2.215	10	5		DEBERN
CCC[C@@H](C)N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1	ZINC000157567033	197197827	/nfs/dbraw/zinc/19/78/27/197197827.db2.gz	IQELKPVIBWOLIS-SSDOTTSWSA-N	0	0	307.397	2.048	10	5		DEBERN
CSCC[C@@H](C)N(C)C(=O)c1ccc(NN)c([N+](=O)[O-])c1	ZINC000157348862	197180775	/nfs/dbraw/zinc/18/07/75/197180775.db2.gz	CXURIYZEQHRBAZ-SECBINFHSA-N	0	0	312.395	2.094	10	5		DEBERN
Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC(C2CCOCC2)CC1	ZINC000558614228	291896404	/nfs/dbraw/zinc/89/64/04/291896404.db2.gz	YKDXHHONWPDVAW-UHFFFAOYSA-N	0	0	321.377	2.212	10	5		DEBERN
COC(=O)[C@@]12CCC[C@H]1CN(c1ccc([N+](=O)[O-])c(C)n1)C2	ZINC000302156127	533153723	/nfs/dbraw/zinc/15/37/23/533153723.db2.gz	IVACQZVSQQKDIV-XHDPSFHLSA-N	0	0	305.334	2.078	10	5		DEBERN
CCc1noc(C)c1NC(=O)COc1cccc([N+](=O)[O-])c1	ZINC000120926651	195265853	/nfs/dbraw/zinc/26/58/53/195265853.db2.gz	HPLUQYTUCLHJQW-UHFFFAOYSA-N	0	0	305.290	2.471	10	5		DEBERN
Cc1cc(NN)nc(COc2cc([N+](=O)[O-])ccc2Cl)n1	ZINC000122043551	195394200	/nfs/dbraw/zinc/39/42/00/195394200.db2.gz	OQKWNUZEKIXQTE-UHFFFAOYSA-N	0	0	309.713	2.211	10	5		DEBERN
CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@H](C)C1	ZINC000187036248	285368579	/nfs/dbraw/zinc/36/85/79/285368579.db2.gz	QCJWQPDELHRDGP-BXUZGUMPSA-N	0	0	321.377	2.103	10	5		DEBERN
CNc1sc(S(=O)(=O)N(C)[C@H](C)C2CC2)cc1[N+](=O)[O-]	ZINC000125444560	195750073	/nfs/dbraw/zinc/75/00/73/195750073.db2.gz	PKEBFDUIDJSUKP-SSDOTTSWSA-N	0	0	319.408	2.117	10	5		DEBERN
Cc1c(Br)c(N(C)C(C)(C)CO)ncc1[N+](=O)[O-]	ZINC000127406869	195874159	/nfs/dbraw/zinc/87/41/59/195874159.db2.gz	RRZSXMNPADRCHQ-UHFFFAOYSA-N	0	0	318.171	2.268	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(C[S@@](C)=O)no1	ZINC000356961445	533405793	/nfs/dbraw/zinc/40/57/93/533405793.db2.gz	IONBMEPCRAMUPD-WFNSPDMASA-N	0	0	307.331	2.417	10	5		DEBERN
O=[N+]([O-])c1ccc(N2CCO[C@H](COc3ccccc3)C2)cn1	ZINC000357749581	133097299	/nfs/dbraw/zinc/09/72/99/133097299.db2.gz	RJZAPMMDBZZOLE-HNNXBMFYSA-N	0	0	315.329	2.274	10	5		DEBERN
CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1	ZINC000376455716	133295394	/nfs/dbraw/zinc/29/53/94/133295394.db2.gz	RRJBAYIXKNAQMX-ZVWUFJHRSA-N	0	0	317.345	2.219	10	5		DEBERN
CO[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[C@@H]1C	ZINC000188037051	285755147	/nfs/dbraw/zinc/75/51/47/285755147.db2.gz	ORXGGQCAARLNFX-SWLSCSKDSA-N	0	0	321.377	2.280	10	5		DEBERN
O=c1[nH]cnc2cc(NCCOCC3CCC3)c([N+](=O)[O-])cc21	ZINC000564649958	292103430	/nfs/dbraw/zinc/10/34/30/292103430.db2.gz	BREVQTDAPPFMEF-UHFFFAOYSA-N	0	0	318.333	2.472	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2CCCO2)CC1	ZINC000187606117	145001714	/nfs/dbraw/zinc/00/17/14/145001714.db2.gz	JEHXQZHTSHRXOV-OAHLLOKOSA-N	0	0	319.361	2.329	10	5		DEBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccc(C2CC2)cc1	ZINC000191195392	145054231	/nfs/dbraw/zinc/05/42/31/145054231.db2.gz	FZZCHCJWUXCODX-UHFFFAOYSA-N	0	0	314.345	2.294	10	5		DEBERN
Cc1ccnc(N2CCC[C@@H](c3ccnc(N)n3)C2)c1[N+](=O)[O-]	ZINC000192756410	145078299	/nfs/dbraw/zinc/07/82/99/145078299.db2.gz	RCFICIKHNMZROW-LLVKDONJSA-N	0	0	314.349	2.054	10	5		DEBERN
CO[C@@H]1CN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C	ZINC000251646038	145194877	/nfs/dbraw/zinc/19/48/77/145194877.db2.gz	HIYFTTFLPNJFNT-YWPYICTPSA-N	0	0	321.377	2.279	10	5		DEBERN
Cc1ccc([C@@H](C)NC(=O)[C@H]2CC(F)(F)CN2)cc1[N+](=O)[O-]	ZINC000263081316	145323490	/nfs/dbraw/zinc/32/34/90/145323490.db2.gz	XOTXEWIKAAJRCQ-MWLCHTKSSA-N	0	0	313.304	2.078	10	5		DEBERN
C[C@@H]1CN(C)C[C@H](C)N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000127177678	401723294	/nfs/dbraw/zinc/72/32/94/401723294.db2.gz	ZFKUWYPYRAZKFL-AOOOYVTPSA-N	0	0	311.769	2.413	10	5		DEBERN
C[C@@H]1CN(C)C[C@@H](C)N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000127178146	401723376	/nfs/dbraw/zinc/72/33/76/401723376.db2.gz	ZFKUWYPYRAZKFL-NXEZZACHSA-N	0	0	311.769	2.413	10	5		DEBERN
Cn1cccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1=O	ZINC000114347940	401797040	/nfs/dbraw/zinc/79/70/40/401797040.db2.gz	MZJODMRCDUWHGF-UHFFFAOYSA-N	0	0	312.285	2.027	10	5		DEBERN
O=C(CCNc1ccccc1[N+](=O)[O-])NCc1cscn1	ZINC000050405474	402027926	/nfs/dbraw/zinc/02/79/26/402027926.db2.gz	NYLBQYCGUABQKV-UHFFFAOYSA-N	0	0	306.347	2.170	10	5		DEBERN
CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H]1CCCO1	ZINC000052102384	402039007	/nfs/dbraw/zinc/03/90/07/402039007.db2.gz	RNLBPDIGZCMCGR-ZDUSSCGKSA-N	0	0	318.333	2.256	10	5		DEBERN
CN(C)c1ncccc1CNC(=O)c1csc([N+](=O)[O-])c1	ZINC000052992829	402049463	/nfs/dbraw/zinc/04/94/63/402049463.db2.gz	RTAFISYADDDBBV-UHFFFAOYSA-N	0	0	306.347	2.047	10	5		DEBERN
CC(C)[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000048698856	402006208	/nfs/dbraw/zinc/00/62/08/402006208.db2.gz	SJVQNIMGWAZAMI-QMMMGPOBSA-N	0	0	313.741	2.347	10	5		DEBERN
O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1C[C@H]1C1CCCCC1	ZINC000122459741	402079541	/nfs/dbraw/zinc/07/95/41/402079541.db2.gz	HANYFRHAJBXXCW-UONOGXRCSA-N	0	0	306.366	2.124	10	5		DEBERN
COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC([C@H](C)O)CC1	ZINC000123034676	402107379	/nfs/dbraw/zinc/10/73/79/402107379.db2.gz	QTJGCBSHVJEBQA-JTQLQIEISA-N	0	0	323.349	2.228	10	5		DEBERN
CCCn1nccc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000102380844	402166325	/nfs/dbraw/zinc/16/63/25/402166325.db2.gz	DHPPDGXQSXHQOG-UHFFFAOYSA-N	0	0	314.305	2.330	10	5		DEBERN
Cn1nccc1C1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000124344516	402175488	/nfs/dbraw/zinc/17/54/88/402175488.db2.gz	ZUIGOFKWPFDIHA-UHFFFAOYSA-N	0	0	314.345	2.348	10	5		DEBERN
CCC(C)(CC)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000154926058	402238606	/nfs/dbraw/zinc/23/86/06/402238606.db2.gz	LGRJZMZDGSGFRJ-UHFFFAOYSA-N	0	0	307.350	2.020	10	5		DEBERN
CC(C)c1nc([C@@H]2CCCN2CCn2ccc([N+](=O)[O-])n2)no1	ZINC000176222906	402292171	/nfs/dbraw/zinc/29/21/71/402292171.db2.gz	SNSNCFFLEAGRIY-NSHDSACASA-N	0	0	320.353	2.135	10	5		DEBERN
Cc1nc(CNc2ncc(Br)cc2[N+](=O)[O-])no1	ZINC000230215190	402349226	/nfs/dbraw/zinc/34/92/26/402349226.db2.gz	GOSLCWSZRPCFRJ-UHFFFAOYSA-N	0	0	314.099	2.056	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1	ZINC000163094822	402441341	/nfs/dbraw/zinc/44/13/41/402441341.db2.gz	YHDFNCHOHIYZJY-MNOVXSKESA-N	0	0	320.349	2.069	10	5		DEBERN
C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2cccnn2)CC1	ZINC000170649920	402510629	/nfs/dbraw/zinc/51/06/29/402510629.db2.gz	VJWCUEDEALPWQU-ZDUSSCGKSA-N	0	0	313.361	2.268	10	5		DEBERN
C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2cccnn2)CC1	ZINC000170649921	402510691	/nfs/dbraw/zinc/51/06/91/402510691.db2.gz	VJWCUEDEALPWQU-CYBMUJFWSA-N	0	0	313.361	2.268	10	5		DEBERN
Cc1cc(N2CCN(Cc3csc([N+](=O)[O-])c3)CC2)n[nH]1	ZINC000187167721	402486490	/nfs/dbraw/zinc/48/64/90/402486490.db2.gz	GRLGZFKMDBFAHU-UHFFFAOYSA-N	0	0	307.379	2.010	10	5		DEBERN
Cn1ncc([N+](=O)[O-])c1C(=O)N1Cc2ccccc2C2(CC2)C1	ZINC000187295714	402492448	/nfs/dbraw/zinc/49/24/48/402492448.db2.gz	INLIAEGSOZIOCG-UHFFFAOYSA-N	0	0	312.329	2.016	10	5		DEBERN
CC(C)[C@@H](C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1	ZINC000178929267	402556768	/nfs/dbraw/zinc/55/67/68/402556768.db2.gz	VQGPWVBWTNWJJA-LLVKDONJSA-N	0	0	300.380	2.101	10	5		DEBERN
CC(C)(C)C1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1	ZINC000178715767	402529624	/nfs/dbraw/zinc/52/96/24/402529624.db2.gz	CGFBWLBSKSUFOC-UHFFFAOYSA-N	0	0	321.377	2.041	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCCC1(C)C	ZINC000170848652	402532643	/nfs/dbraw/zinc/53/26/43/402532643.db2.gz	KFXGLYVHDFQTBE-UHFFFAOYSA-N	0	0	305.334	2.243	10	5		DEBERN
CCOC(=O)C(C)(C)NC(=O)c1cccc(Cl)c1[N+](=O)[O-]	ZINC000248319317	402586242	/nfs/dbraw/zinc/58/62/42/402586242.db2.gz	PZDZKGHIMRXZJM-UHFFFAOYSA-N	0	0	314.725	2.320	10	5		DEBERN
Cc1sc(C(=O)N2CCC[C@@H](n3cncn3)C2)cc1[N+](=O)[O-]	ZINC000171662382	402606884	/nfs/dbraw/zinc/60/68/84/402606884.db2.gz	FYUDFUXNOPLRAC-SNVBAGLBSA-N	0	0	321.362	2.034	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])s1)N1CCCC[C@@H]1c1nc[nH]n1	ZINC000181382533	402643550	/nfs/dbraw/zinc/64/35/50/402643550.db2.gz	XKAAXWRXDWBCTK-MRVPVSSYSA-N	0	0	307.335	2.142	10	5		DEBERN
Cc1ccc(NC(=O)C(=O)NC[C@@H](C)C(C)C)cc1[N+](=O)[O-]	ZINC000172526060	402660623	/nfs/dbraw/zinc/66/06/23/402660623.db2.gz	BFYBOXVPFXWMQK-LLVKDONJSA-N	0	0	307.350	2.250	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)C(C)C	ZINC000172530682	402661123	/nfs/dbraw/zinc/66/11/23/402661123.db2.gz	FAAFNGIFMUPQGL-NSHDSACASA-N	0	0	307.350	2.250	10	5		DEBERN
COc1n[nH]c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n1	ZINC000182988588	402731358	/nfs/dbraw/zinc/73/13/58/402731358.db2.gz	LJWQQDCWHSVPKF-UHFFFAOYSA-N	0	0	319.302	2.189	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NCCOc1cccc(F)c1	ZINC000193190321	402768149	/nfs/dbraw/zinc/76/81/49/402768149.db2.gz	MFZBRAYBVCCUSO-UHFFFAOYSA-N	0	0	319.292	2.246	10	5		DEBERN
CN(C)c1nc(CN2CCc3c2cccc3[N+](=O)[O-])ns1	ZINC000183624301	402782866	/nfs/dbraw/zinc/78/28/66/402782866.db2.gz	PLFHJHQIOOLSJO-UHFFFAOYSA-N	0	0	305.363	2.075	10	5		DEBERN
Cc1nc(CNC(=O)c2cc([N+](=O)[O-])cnc2C)sc1C	ZINC000175337788	402798417	/nfs/dbraw/zinc/79/84/17/402798417.db2.gz	RNCLBNNRZGPMFU-UHFFFAOYSA-N	0	0	306.347	2.302	10	5		DEBERN
Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN2CCCC[C@H]2C1	ZINC000194496814	402800105	/nfs/dbraw/zinc/80/01/05/402800105.db2.gz	APMFUPZOADWPMJ-ZDUSSCGKSA-N	0	0	303.362	2.214	10	5		DEBERN
C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc([N+](=O)[O-])s1	ZINC000175724844	402826661	/nfs/dbraw/zinc/82/66/61/402826661.db2.gz	PSEKYKFXHBYZBG-QMMMGPOBSA-N	0	0	314.363	2.459	10	5		DEBERN
Cc1sc(C(=O)N2CCN3CCCC[C@H]3C2)cc1[N+](=O)[O-]	ZINC000195062771	402829906	/nfs/dbraw/zinc/82/99/06/402829906.db2.gz	PIMIFNMQQXXHMS-NSHDSACASA-N	0	0	309.391	2.275	10	5		DEBERN
COCc1cc([N+](=O)[O-])ccc1N1CC[C@](O)(C(F)(F)F)C1	ZINC000267004652	403007587	/nfs/dbraw/zinc/00/75/87/403007587.db2.gz	GLUGWEOXFUKREM-GFCCVEGCSA-N	0	0	320.267	2.245	10	5		DEBERN
COC(=O)c1cc(N2CCC[C@@](C)(O)C2)cc(C)c1[N+](=O)[O-]	ZINC000271008900	403253027	/nfs/dbraw/zinc/25/30/27/403253027.db2.gz	XNRHJGVQQODTNG-OAHLLOKOSA-N	0	0	308.334	2.041	10	5		DEBERN
CC(=O)c1cc(N[C@H](CO)C[C@H](O)C(C)(C)C)ccc1[N+](=O)[O-]	ZINC000286395072	403516658	/nfs/dbraw/zinc/51/66/58/403516658.db2.gz	JLQCIBXOKMVIQJ-WFASDCNBSA-N	0	0	324.377	2.367	10	5		DEBERN
O=[N+]([O-])c1cnc(NCC2(O)CCSCC2)c(Cl)c1	ZINC000301362347	403620392	/nfs/dbraw/zinc/62/03/92/403620392.db2.gz	MPVMKAZAMJDVSR-UHFFFAOYSA-N	0	0	303.771	2.313	10	5		DEBERN
CC(C)CC1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1	ZINC000301652483	403659866	/nfs/dbraw/zinc/65/98/66/403659866.db2.gz	KHPSQBLZAWUSAE-UHFFFAOYSA-N	0	0	306.366	2.351	10	5		DEBERN
CO[C@H]1C[C@@H](CO)N(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C1	ZINC000343778061	403728714	/nfs/dbraw/zinc/72/87/14/403728714.db2.gz	OQMZHBMDQSYYNQ-STQMWFEESA-N	0	0	324.377	2.358	10	5		DEBERN
CO[C@@H]1C[C@@H](CO)N(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C1	ZINC000343778055	403729314	/nfs/dbraw/zinc/72/93/14/403729314.db2.gz	OQMZHBMDQSYYNQ-QWHCGFSZSA-N	0	0	324.377	2.358	10	5		DEBERN
CC(C)(C)[C@@H](O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000295078288	403752744	/nfs/dbraw/zinc/75/27/44/403752744.db2.gz	WNMLAASYPTXQFT-NSHDSACASA-N	0	0	300.742	2.385	10	5		DEBERN
CC(=O)c1cc(N(C)CC(=O)NC(C)(C)C)ccc1[N+](=O)[O-]	ZINC000341372743	403938563	/nfs/dbraw/zinc/93/85/63/403938563.db2.gz	ZRLICXWMZGEXAM-UHFFFAOYSA-N	0	0	307.350	2.148	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc([C@@H](C)NC(N)=O)no1	ZINC000350542475	404414627	/nfs/dbraw/zinc/41/46/27/404414627.db2.gz	RNBSLLVQUAZCER-FCZSHJHJSA-N	0	0	317.305	2.268	10	5		DEBERN
CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN(CC(F)F)CC1	ZINC000360949433	404859554	/nfs/dbraw/zinc/85/95/54/404859554.db2.gz	KWSRHHJNZVMBSR-UHFFFAOYSA-N	0	0	313.304	2.185	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]2[C@H]2COCC[C@@H]2O)c1	ZINC000408172147	405130587	/nfs/dbraw/zinc/13/05/87/405130587.db2.gz	SIOPDSQCUWNKAJ-IOASZLSFSA-N	0	0	306.362	2.269	10	5		DEBERN
CC[C@H]1OCCC[C@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1	ZINC000408383181	405192842	/nfs/dbraw/zinc/19/28/42/405192842.db2.gz	HBQNPGSEQVKUHS-UKRRQHHQSA-N	0	0	319.361	2.080	10	5		DEBERN
CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H](C(C)(C)C)[C@@H](O)C1	ZINC000408332108	405175271	/nfs/dbraw/zinc/17/52/71/405175271.db2.gz	UVHFXPQOTCDADY-NEPJUHHUSA-N	0	0	310.398	2.353	10	5		DEBERN
Cc1nc(N2CCOCC2)ccc1Nc1ccc([N+](=O)[O-])nc1	ZINC000450388697	405872754	/nfs/dbraw/zinc/87/27/54/405872754.db2.gz	ISCHSERZIKJWCN-UHFFFAOYSA-N	0	0	315.333	2.273	10	5		DEBERN
CCOC(=O)Cc1cc(OC)c(Br)cc1[N+](=O)[O-]	ZINC000575699138	406819474	/nfs/dbraw/zinc/81/94/74/406819474.db2.gz	DQAAPEQCAZSKFS-UHFFFAOYSA-N	0	0	318.123	2.472	10	5		DEBERN
COC(=O)Cc1cc([N+](=O)[O-])c(OC)cc1Br	ZINC000575712805	406821954	/nfs/dbraw/zinc/82/19/54/406821954.db2.gz	RRJHPQBUONKKQR-UHFFFAOYSA-N	0	0	304.096	2.081	10	5		DEBERN
COc1ccc(-c2nc(Br)no2)cc1[N+](=O)[O-]	ZINC000128765494	195989335	/nfs/dbraw/zinc/98/93/35/195989335.db2.gz	OIWHZDKTRYMGJZ-UHFFFAOYSA-N	0	0	300.068	2.416	10	5		DEBERN
CC(=O)N1CSC[C@@H]1C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C	ZINC000129420889	196046905	/nfs/dbraw/zinc/04/69/05/196046905.db2.gz	IQLBRUDZGYLRRX-GFCCVEGCSA-N	0	0	323.374	2.072	10	5		DEBERN
CC(C)(C)NC(=O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1	ZINC000130900341	196120360	/nfs/dbraw/zinc/12/03/60/196120360.db2.gz	OTQNDLOFEXOESJ-UHFFFAOYSA-N	0	0	305.378	2.474	10	5		DEBERN
Cc1ccnc(N[C@@H](C)c2nnc3n2CCCC3)c1[N+](=O)[O-]	ZINC000131074424	196137984	/nfs/dbraw/zinc/13/79/84/196137984.db2.gz	RMQOWOFFLPCTSL-JTQLQIEISA-N	0	0	302.338	2.399	10	5		DEBERN
CC(C)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131164014	196145451	/nfs/dbraw/zinc/14/54/51/196145451.db2.gz	JESJFSLIPWSUEJ-VIFPVBQESA-N	0	0	304.343	2.447	10	5		DEBERN
C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1	ZINC000131675858	196190277	/nfs/dbraw/zinc/19/02/77/196190277.db2.gz	GIXMAXOWAOVLPY-UWVGGRQHSA-N	0	0	313.379	2.129	10	5		DEBERN
CCNc1cc(S(=O)(=O)N[C@H](C)CC)ccc1[N+](=O)[O-]	ZINC000131722135	196193333	/nfs/dbraw/zinc/19/33/33/196193333.db2.gz	CFKSDTAHGRFSOG-SECBINFHSA-N	0	0	301.368	2.103	10	5		DEBERN
CCCCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(NC)c1	ZINC000131903662	196208851	/nfs/dbraw/zinc/20/88/51/196208851.db2.gz	GYHYUXXOYBJVHI-UHFFFAOYSA-N	0	0	315.395	2.447	10	5		DEBERN
C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)C1	ZINC000132011199	196218714	/nfs/dbraw/zinc/21/87/14/196218714.db2.gz	CEHWFVBSJLZPPV-BDAKNGLRSA-N	0	0	302.327	2.201	10	5		DEBERN
CC[C@H](C)[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(NC)c1	ZINC000132123331	196229069	/nfs/dbraw/zinc/22/90/69/196229069.db2.gz	IUKNLFSYEFUPMG-VHSXEESVSA-N	0	0	315.395	2.349	10	5		DEBERN
CS(=O)(=O)[C@@H]1CCC[C@H]1Nc1c(F)cccc1[N+](=O)[O-]	ZINC000132430949	196255085	/nfs/dbraw/zinc/25/50/85/196255085.db2.gz	FYKVODCOPLQDOC-MWLCHTKSSA-N	0	0	302.327	2.112	10	5		DEBERN
C[C@@H](CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[S@@](C)=O	ZINC000132930800	196297434	/nfs/dbraw/zinc/29/74/34/196297434.db2.gz	SLDNHZCDKSYZPO-FHZGZLOMSA-N	0	0	318.782	2.135	10	5		DEBERN
CC[C@@H](CSC)Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	ZINC000133140592	196315058	/nfs/dbraw/zinc/31/50/58/196315058.db2.gz	CNSWQBJNYWEFCG-QMMMGPOBSA-N	0	0	311.363	2.479	10	5		DEBERN
CC(C)COCCNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-]	ZINC000134299441	196378043	/nfs/dbraw/zinc/37/80/43/196378043.db2.gz	PFZBMXXERPFSFZ-UHFFFAOYSA-N	0	0	302.277	2.275	10	5		DEBERN
C[C@H](C(=O)NCC1(CCO)CC1)c1ccc([N+](=O)[O-])cc1F	ZINC000187957622	225003783	/nfs/dbraw/zinc/00/37/83/225003783.db2.gz	APVUXPYYWYKVOE-JTQLQIEISA-N	0	0	310.325	2.116	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCOc3ccccc32)n1	ZINC000191471843	225111164	/nfs/dbraw/zinc/11/11/64/225111164.db2.gz	PTWPJXZWGNAJNS-NSHDSACASA-N	0	0	316.317	2.065	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)Cc2cccs2)n1	ZINC000191526866	225111649	/nfs/dbraw/zinc/11/16/49/225111649.db2.gz	NLHMHHWOHDIESA-SECBINFHSA-N	0	0	308.363	2.234	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)Cc2ccccc2F)n1	ZINC000191568576	225112861	/nfs/dbraw/zinc/11/28/61/225112861.db2.gz	UASRAJCOYGJQIV-JTQLQIEISA-N	0	0	320.324	2.311	10	5		DEBERN
C[C@@](O)(CNc1cc(CO)ccc1[N+](=O)[O-])c1cccs1	ZINC000301983732	230018586	/nfs/dbraw/zinc/01/85/86/230018586.db2.gz	ATUUIRQBHRABLB-CQSZACIVSA-N	0	0	308.359	2.468	10	5		DEBERN
C[C@@](O)(CNc1cc(CO)ccc1[N+](=O)[O-])c1ccsc1	ZINC000302035027	230051716	/nfs/dbraw/zinc/05/17/16/230051716.db2.gz	LMYKEVPOHFBJGV-CQSZACIVSA-N	0	0	308.359	2.468	10	5		DEBERN
O=[N+]([O-])c1ccc(NCc2ccnc3ccnn32)c([N+](=O)[O-])c1	ZINC000302074211	230082607	/nfs/dbraw/zinc/08/26/07/230082607.db2.gz	VLGSRMCVIFBOBD-UHFFFAOYSA-N	0	0	314.261	2.158	10	5		DEBERN
O=[N+]([O-])c1cnc2ccc(NC[C@@H]3CCCCC3(F)F)nn21	ZINC000450582904	425077976	/nfs/dbraw/zinc/07/79/76/425077976.db2.gz	KZCMONLFNWTAEI-VIFPVBQESA-N	0	0	311.292	2.875	10	5		DEBERN
C[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)N1CCOC[C@@H]1C	ZINC000301282437	268823383	/nfs/dbraw/zinc/82/33/83/268823383.db2.gz	OZADMFDDCRQMKY-UWVGGRQHSA-N	0	0	314.773	2.164	10	5		DEBERN
CC(C)[C@@](C)(CO)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1	ZINC000398534261	269109017	/nfs/dbraw/zinc/10/90/17/269109017.db2.gz	CNIPFVHCWIWOKB-CYBMUJFWSA-N	0	0	300.742	2.385	10	5		DEBERN
CC(C)[C@](C)(CO)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1	ZINC000398534264	269109037	/nfs/dbraw/zinc/10/90/37/269109037.db2.gz	CNIPFVHCWIWOKB-ZDUSSCGKSA-N	0	0	300.742	2.385	10	5		DEBERN
O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1F	ZINC000005179411	280320441	/nfs/dbraw/zinc/32/04/41/280320441.db2.gz	GQGWKBHKXJCSDL-OZVVPTBGSA-N	0	0	302.261	2.045	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCOCC[C@@H]2C)c1	ZINC000374005560	301857333	/nfs/dbraw/zinc/85/73/33/301857333.db2.gz	IVBBOFJKSARHAR-ZDUSSCGKSA-N	0	0	322.361	2.310	10	5		DEBERN
Cn1cnc([N+](=O)[O-])c1N1CCC[C@H]1c1nc2c([nH]1)CCCC2	ZINC000275510830	303020655	/nfs/dbraw/zinc/02/06/55/303020655.db2.gz	DGCGYCRDRUXWKN-LBPRGKRZSA-N	0	0	316.365	2.272	10	5		DEBERN
CC(=O)N(C)c1cccc(NC(=O)c2ccc([N+](=O)[O-])n2C)c1	ZINC000362706766	534742313	/nfs/dbraw/zinc/74/23/13/534742313.db2.gz	AFFOSJBYFNCDMU-UHFFFAOYSA-N	0	0	316.317	2.168	10	5		DEBERN
CCN(CC(=O)NC(C)C)c1ccc2cc([N+](=O)[O-])ccc2n1	ZINC000301733980	527904635	/nfs/dbraw/zinc/90/46/35/527904635.db2.gz	QJCALIVWJFHHEB-UHFFFAOYSA-N	0	0	316.361	2.494	10	5		DEBERN
CCCC(=O)N[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000299674934	527944926	/nfs/dbraw/zinc/94/49/26/527944926.db2.gz	NVYXZNDITALCLV-CYBMUJFWSA-N	0	0	319.361	2.116	10	5		DEBERN
CC(=CC(=O)N[C@@H](C)c1nnc(C)[nH]1)c1ccc([N+](=O)[O-])cc1	ZINC000804811774	623253722	/nfs/dbraw/zinc/25/37/22/623253722.db2.gz	CJDGZTHRLPAASN-QROTZFDESA-N	0	0	315.333	2.302	10	5		DEBERN
CN1C[C@H](Nc2cc(Cl)c(F)cc2[N+](=O)[O-])CCC1=O	ZINC000234322190	624185236	/nfs/dbraw/zinc/18/52/36/624185236.db2.gz	NKDBBAKDULENLC-SSDOTTSWSA-N	0	0	301.705	2.420	10	5		DEBERN
O=[N+]([O-])c1ccc(NCCCNc2ccc([N+](=O)[O-])nc2)cn1	ZINC000735486945	633512252	/nfs/dbraw/zinc/51/22/52/633512252.db2.gz	MEOUGRHEHLWTCR-UHFFFAOYSA-N	0	0	318.293	2.207	10	5		DEBERN
CN(CCOC(=O)[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1	ZINC000102708731	650165160	/nfs/dbraw/zinc/16/51/60/650165160.db2.gz	KGOGOTQNHYXDIQ-GFCCVEGCSA-N	0	0	308.334	2.001	10	5		DEBERN
O=C(NCCCc1ccccn1)c1cc(F)ccc1[N+](=O)[O-]	ZINC000178569660	635928592	/nfs/dbraw/zinc/92/85/92/635928592.db2.gz	YEKBLWJJGPKNBU-UHFFFAOYSA-N	0	0	303.293	2.492	10	5		DEBERN
COC(=O)/C(C)=C\COC(=O)/C=C\c1ccc([N+](=O)[O-])cc1	ZINC000748162401	638519128	/nfs/dbraw/zinc/51/91/28/638519128.db2.gz	FEUYNMVEVDNZHU-MWYRAJAISA-N	0	0	305.286	2.271	10	5		DEBERN
C/C(=C\C(=O)O[C@@H]1CCCN(C)C1=O)c1ccc([N+](=O)[O-])cc1	ZINC000752348778	639174860	/nfs/dbraw/zinc/17/48/60/639174860.db2.gz	GUJNBLZBXWHCIQ-PLSXKVAHSA-N	0	0	318.329	2.162	10	5		DEBERN
C/C(=C/C(=O)NC[C@H](O)c1ccco1)c1ccc([N+](=O)[O-])cc1	ZINC000752558229	639197950	/nfs/dbraw/zinc/19/79/50/639197950.db2.gz	FDUYDTAPRICIDV-FPAJZGIOSA-N	0	0	316.313	2.441	10	5		DEBERN
C/C(=C/C(=O)N(CCCO)C1CC1)c1ccc([N+](=O)[O-])cc1	ZINC000752709585	639210268	/nfs/dbraw/zinc/21/02/68/639210268.db2.gz	ZQYIASWXDLGFDY-QXMHVHEDSA-N	0	0	304.346	2.372	10	5		DEBERN
C[C@@H](OC(=O)COc1ccccc1[N+](=O)[O-])C1CCOCC1	ZINC000151685302	646997680	/nfs/dbraw/zinc/99/76/80/646997680.db2.gz	KYXZTPUBSHUDTE-LLVKDONJSA-N	0	0	309.318	2.332	10	5		DEBERN
CC[C@@H](C)OCC(=O)OCCN(C)c1ccc([N+](=O)[O-])cc1	ZINC000153525075	647498943	/nfs/dbraw/zinc/49/89/43/647498943.db2.gz	TVTSVNVWXLNWOM-GFCCVEGCSA-N	0	0	310.350	2.389	10	5		DEBERN
Cc1nn(CCC(=O)O[C@H](C)C(F)(F)F)c(C)c1[N+](=O)[O-]	ZINC000174887793	648192065	/nfs/dbraw/zinc/19/20/65/648192065.db2.gz	GXXYOSLZSKSUQI-MRVPVSSYSA-N	0	0	309.244	2.292	10	5		DEBERN
CC(C)C(=O)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-]	ZINC000107415978	651442352	/nfs/dbraw/zinc/44/23/52/651442352.db2.gz	OZMILTOLDZEBIO-LBPRGKRZSA-N	0	0	320.345	2.399	10	5		DEBERN
CCO[C@H]1C[C@H](OC(=O)Cn2ccc([N+](=O)[O-])n2)C12CCCC2	ZINC000119604544	684084291	/nfs/dbraw/zinc/08/42/91/684084291.db2.gz	BYINNJPNAATAOI-RYUDHWBXSA-N	0	0	323.349	2.072	10	5		DEBERN
C[C@H]1CC[C@@H](C(=O)OCCN(C)c2ccc([N+](=O)[O-])cc2)O1	ZINC000123651895	684126943	/nfs/dbraw/zinc/12/69/43/684126943.db2.gz	FXFDHEIDUXZGCD-FZMZJTMJSA-N	0	0	308.334	2.142	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(=O)n(C)c1	ZINC000588437475	777194234	/nfs/dbraw/zinc/19/42/34/777194234.db2.gz	OCKMJKFBPCNCBC-LUAWRHEFSA-N	0	0	313.313	2.336	10	5		DEBERN
CO[C@](C)(CO)CNc1cc(Br)ccc1[N+](=O)[O-]	ZINC000702519032	1086438021	/nfs/dbraw/zinc/43/80/21/1086438021.db2.gz	YCQSJDRLOFQRPZ-NSHDSACASA-N	0	0	319.155	2.167	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](C)CC[C@@H]1C	ZINC000076731086	185036829	/nfs/dbraw/zinc/03/68/29/185036829.db2.gz	OKPHVPVSJFYNMU-JQWIXIFHSA-N	0	0	319.361	2.489	10	5		DEBERN
COc1cc(C(=O)Nc2cncc(Cl)n2)ccc1[N+](=O)[O-]	ZINC000162196199	197551510	/nfs/dbraw/zinc/55/15/10/197551510.db2.gz	CEEDBTKTXQFRID-UHFFFAOYSA-N	0	0	308.681	2.299	10	5		DEBERN
O=[N+]([O-])c1c(I)cncc1OC1CC1	ZINC000095735478	185383734	/nfs/dbraw/zinc/38/37/34/185383734.db2.gz	OMNDJPVKJHQPOJ-UHFFFAOYSA-N	0	0	306.059	2.136	10	5		DEBERN
COc1ccc(OCCn2cc([N+](=O)[O-])cc(C)c2=O)cc1	ZINC000096778389	185387262	/nfs/dbraw/zinc/38/72/62/185387262.db2.gz	MTRCXASKDJZHNV-UHFFFAOYSA-N	0	0	304.302	2.153	10	5		DEBERN
Cn1cccc1[C@H](O)CNC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000077101694	185108535	/nfs/dbraw/zinc/10/85/35/185108535.db2.gz	CDRYPHSOBSZHLA-CYBMUJFWSA-N	0	0	323.736	2.050	10	5		DEBERN
CSCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000083407481	185222112	/nfs/dbraw/zinc/22/21/12/185222112.db2.gz	XZRKIRFLXILFIS-UHFFFAOYSA-N	0	0	324.811	2.280	10	5		DEBERN
CO[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[C@@H]1C	ZINC000251869115	536730383	/nfs/dbraw/zinc/73/03/83/536730383.db2.gz	OVILPBUUFKJOEM-XHDPSFHLSA-N	0	0	322.361	2.318	10	5		DEBERN
O=C(c1ccnc(Cl)c1[N+](=O)[O-])N(CCO)C1CCCC1	ZINC000088804669	185266250	/nfs/dbraw/zinc/26/62/50/185266250.db2.gz	BKNZDIWCILGYKD-UHFFFAOYSA-N	0	0	313.741	2.020	10	5		DEBERN
COC(=O)[C@@H](C)C[S@@](=O)Cc1ccc([N+](=O)[O-])cc1Cl	ZINC000090105154	185282400	/nfs/dbraw/zinc/28/24/00/185282400.db2.gz	CFNDQJAJMXUMDS-FHZGZLOMSA-N	0	0	319.766	2.306	10	5		DEBERN
COCc1cncc(C(=O)NCc2cccc([N+](=O)[O-])c2)c1	ZINC000613179881	362029842	/nfs/dbraw/zinc/02/98/42/362029842.db2.gz	UBINYHFJQVDPNH-UHFFFAOYSA-N	0	0	301.302	2.066	10	5		DEBERN
CC[C@H](NC(=O)CCCCNC(N)=O)c1cccc([N+](=O)[O-])c1	ZINC000090467063	185298019	/nfs/dbraw/zinc/29/80/19/185298019.db2.gz	SXFGATONDPRUKS-ZDUSSCGKSA-N	0	0	322.365	2.001	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]2c2ccc(F)cc2)cc1	ZINC000090558087	185303136	/nfs/dbraw/zinc/30/31/36/185303136.db2.gz	FAYBCKDVSNLQEF-IURRXHLWSA-N	0	0	322.317	2.480	10	5		DEBERN
CC[C@H](NC(=O)NC[C@@H](O)C(C)C)c1cccc([N+](=O)[O-])c1	ZINC000090689635	185309851	/nfs/dbraw/zinc/30/98/51/185309851.db2.gz	AUUQHJBMCXBZTR-UONOGXRCSA-N	0	0	309.366	2.362	10	5		DEBERN
COC(=O)c1ccc([N+](=O)[O-])c(Sc2nc(C)ns2)n1	ZINC000166901018	197700506	/nfs/dbraw/zinc/70/05/06/197700506.db2.gz	GJPUPCZBLAPTCO-UHFFFAOYSA-N	0	0	312.332	2.088	10	5		DEBERN
CCc1nc(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])cc2F)no1	ZINC000441717221	529713603	/nfs/dbraw/zinc/71/36/03/529713603.db2.gz	RYJZRFCPZPQARG-UHFFFAOYSA-N	0	0	322.296	2.344	10	5		DEBERN
O=C(Cc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1nc[nH]n1	ZINC000181395982	199289726	/nfs/dbraw/zinc/28/97/26/199289726.db2.gz	AZSIGJVJXYOUBG-CYBMUJFWSA-N	0	0	315.333	2.009	10	5		DEBERN
CCN(CC(F)F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000186454204	282277080	/nfs/dbraw/zinc/27/70/80/282277080.db2.gz	UVYNKCXEXQSODO-UHFFFAOYSA-N	0	0	312.269	2.010	10	5		DEBERN
CCOc1ccc(C(=O)N2CC[C@H](C)[C@H](OC)C2)cc1[N+](=O)[O-]	ZINC000187849358	282292276	/nfs/dbraw/zinc/29/22/76/282292276.db2.gz	IXBFOSAKLSOAIE-XHDPSFHLSA-N	0	0	322.361	2.491	10	5		DEBERN
Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccc(C(F)F)cc1	ZINC000185405143	539671737	/nfs/dbraw/zinc/67/17/37/539671737.db2.gz	ILVYKKMVQDZCIV-UHFFFAOYSA-N	0	0	310.260	2.196	10	5		DEBERN
CS(=O)(=O)[C@H]1CCC[C@H]1Nc1cc(F)ccc1[N+](=O)[O-]	ZINC000148930108	186047483	/nfs/dbraw/zinc/04/74/83/186047483.db2.gz	KCYBXPCWXMMLER-SKDRFNHKSA-N	0	0	302.327	2.112	10	5		DEBERN
COC(=O)[C@@H]1CCCN1C(=O)c1cccc(Cl)c1[N+](=O)[O-]	ZINC000149606904	186051398	/nfs/dbraw/zinc/05/13/98/186051398.db2.gz	UABTYTIMJUSVMK-JTQLQIEISA-N	0	0	312.709	2.026	10	5		DEBERN
Cc1noc(C)c1[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])cnc1C	ZINC000152751685	186099162	/nfs/dbraw/zinc/09/91/62/186099162.db2.gz	KVCRTQCUAYRUCM-QMMMGPOBSA-N	0	0	318.333	2.437	10	5		DEBERN
CCOc1ccc(NC(=O)Cn2c(C)ncc2[N+](=O)[O-])cc1	ZINC000008015063	354007829	/nfs/dbraw/zinc/00/78/29/354007829.db2.gz	XNXLAHQQSZGISZ-UHFFFAOYSA-N	0	0	304.306	2.137	10	5		DEBERN
C=C[S@](=O)c1sc(Cl)c(N2CCOCC2)c1[N+](=O)[O-]	ZINC000004301283	181094454	/nfs/dbraw/zinc/09/44/54/181094454.db2.gz	JMYKVYIOIYMTPA-LJQANCHMSA-N	0	0	322.795	2.397	10	5		DEBERN
CCOC(=O)C(C)(C)NC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1	ZINC000183699547	199632182	/nfs/dbraw/zinc/63/21/82/199632182.db2.gz	XYULXCXYBGQJQI-ZHACJKMWSA-N	0	0	320.345	2.456	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](C2OCCO2)C1	ZINC000076455977	191648438	/nfs/dbraw/zinc/64/84/38/191648438.db2.gz	DGMARQQZPFKTGM-LBPRGKRZSA-N	0	0	320.345	2.128	10	5		DEBERN
COC(=O)Cc1c(C)nn(Cc2ccc([N+](=O)[O-])cc2F)c1C	ZINC000113991561	355760784	/nfs/dbraw/zinc/76/07/84/355760784.db2.gz	VZZXVIKHISGIBB-UHFFFAOYSA-N	0	0	321.308	2.311	10	5		DEBERN
COc1cc(CN2C(=O)c3ccccc3C2=O)ccc1[N+](=O)[O-]	ZINC000117839738	355779008	/nfs/dbraw/zinc/77/90/08/355779008.db2.gz	KSHSBSFLRWWGHU-UHFFFAOYSA-N	0	0	312.281	2.400	10	5		DEBERN
Cc1c(NC(=O)C(=O)N[C@H](C)C(C)(C)C)cccc1[N+](=O)[O-]	ZINC000123264349	355803765	/nfs/dbraw/zinc/80/37/65/355803765.db2.gz	PQPAPGSVQGKDFY-SNVBAGLBSA-N	0	0	307.350	2.393	10	5		DEBERN
CCOc1ccc2[nH]cc(C[C@@](C)(C(=O)OC)[N+](=O)[O-])c2c1	ZINC000140388307	355885551	/nfs/dbraw/zinc/88/55/51/355885551.db2.gz	LETZHHRTLDCUFI-HNNXBMFYSA-N	0	0	306.318	2.318	10	5		DEBERN
O=C(NCCc1ccc([N+](=O)[O-])cc1)NCc1cscn1	ZINC000171167539	355996980	/nfs/dbraw/zinc/99/69/80/355996980.db2.gz	SBMJMTXVGXZDMX-UHFFFAOYSA-N	0	0	306.347	2.093	10	5		DEBERN
CN(Cc1cnccn1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000172155187	356004469	/nfs/dbraw/zinc/00/44/69/356004469.db2.gz	NFMQRKWPLHTXTB-UHFFFAOYSA-N	0	0	311.301	2.138	10	5		DEBERN
CC(=O)c1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1Cl	ZINC000180586712	356054494	/nfs/dbraw/zinc/05/44/94/356054494.db2.gz	ITWMULUDDMXIFS-UHFFFAOYSA-N	0	0	322.708	2.286	10	5		DEBERN
CC(C)OCCCCNS(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000181847873	356098182	/nfs/dbraw/zinc/09/81/82/356098182.db2.gz	UFCUCJXTJDPNFJ-UHFFFAOYSA-N	0	0	322.408	2.140	10	5		DEBERN
O=[N+]([O-])c1ccn(C2CCN(c3ccnc(C4CC4)n3)CC2)n1	ZINC000618683300	363571699	/nfs/dbraw/zinc/57/16/99/363571699.db2.gz	WFKIYJYZTHOZGI-UHFFFAOYSA-N	0	0	314.349	2.300	10	5		DEBERN
COC(=O)c1cc(C)nc(N2C[C@H](C)O[C@@H](C)[C@@H]2C)c1[N+](=O)[O-]	ZINC000588027521	357389748	/nfs/dbraw/zinc/38/97/48/357389748.db2.gz	SNFIOYJFVHQZKE-DCAQKATOSA-N	0	0	323.349	2.087	10	5		DEBERN
CC(=O)c1ccc(N[C@H]2CCc3cncn3C2)c([N+](=O)[O-])c1	ZINC000588067698	357392262	/nfs/dbraw/zinc/39/22/62/357392262.db2.gz	JWTBWXRYXVSFDI-LBPRGKRZSA-N	0	0	300.318	2.421	10	5		DEBERN
CC(=O)N1CC[C@H](CNc2ccc3ncccc3c2[N+](=O)[O-])C1	ZINC000589101659	357443136	/nfs/dbraw/zinc/44/31/36/357443136.db2.gz	HDWRSIIEUQXJJN-GFCCVEGCSA-N	0	0	314.345	2.423	10	5		DEBERN
Cn1ccsc1=NC(=O)CSc1ccc([N+](=O)[O-])cc1	ZINC000005936402	181297734	/nfs/dbraw/zinc/29/77/34/181297734.db2.gz	JSJRLXWLJRBVST-SEYXRHQNSA-N	0	0	309.372	2.214	10	5		DEBERN
O=C(N[C@@H]1CCC[C@H]1CCO)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000187826858	200162022	/nfs/dbraw/zinc/16/20/22/200162022.db2.gz	WGUQKAPGQAHTSR-IINYFYTJSA-N	0	0	317.345	2.357	10	5		DEBERN
O=C(Nc1ncccn1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl	ZINC000005949423	181299976	/nfs/dbraw/zinc/29/99/76/181299976.db2.gz	JPLRWFKUKGVEHZ-UHFFFAOYSA-N	0	0	323.652	2.199	10	5		DEBERN
COC[C@@](C)(CCO)NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1	ZINC000190436154	200536645	/nfs/dbraw/zinc/53/66/45/200536645.db2.gz	MAUSGDOQPJOBDF-MRXNPFEDSA-N	0	0	324.377	2.236	10	5		DEBERN
COC(=O)c1ccc([N+](=O)[O-])c(N2CCO[C@@H](C(C)C)C2)c1	ZINC000611764999	361677019	/nfs/dbraw/zinc/67/70/19/361677019.db2.gz	YNEVQRKXYGWIHD-CQSZACIVSA-N	0	0	308.334	2.243	10	5		DEBERN
CCN1CC[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1=O	ZINC000619794682	363878030	/nfs/dbraw/zinc/87/80/30/363878030.db2.gz	SNGZTDVKCBLQDW-VIFPVBQESA-N	0	0	315.276	2.229	10	5		DEBERN
Cc1nn(C)cc1CC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1	ZINC000448741543	239588068	/nfs/dbraw/zinc/58/80/68/239588068.db2.gz	WVUFLVQLIZMJOA-SNVBAGLBSA-N	0	0	302.334	2.057	10	5		DEBERN
C[C@@H](O)CCC(=O)Nc1ccc(Br)cc1[N+](=O)[O-]	ZINC000092153328	193168786	/nfs/dbraw/zinc/16/87/86/193168786.db2.gz	CCQFEJZDOJNHQT-SSDOTTSWSA-N	0	0	317.139	2.457	10	5		DEBERN
[NH3+][C@@]1(C(=O)[O-])CCC[C@@H](Oc2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000093775138	193304972	/nfs/dbraw/zinc/30/49/72/193304972.db2.gz	ULPNJIYSAHTHDM-RNCFNFMXSA-N	0	0	314.725	2.352	10	5		DEBERN
CC1(C)CCC[C@@H](S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H]1[NH3+]	ZINC000094281656	193356196	/nfs/dbraw/zinc/35/61/96/193356196.db2.gz	PDYNMAULHYZPTM-OLZOCXBDSA-N	0	0	312.391	2.275	10	5		DEBERN
NN=c1[nH]cc(COc2cc(F)c([N+](=O)[O-])cc2F)s1	ZINC000094194738	193348766	/nfs/dbraw/zinc/34/87/66/193348766.db2.gz	QMDIUMQCGBVTAE-UHFFFAOYSA-N	0	0	302.262	2.194	10	5		DEBERN
C[C@@](N)(C(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C(F)(F)F	ZINC000094232731	193353109	/nfs/dbraw/zinc/35/31/09/193353109.db2.gz	PGBYLJANNUDZLX-SECBINFHSA-N	0	0	311.647	2.466	10	5		DEBERN
CCNc1cc(C)c(S(=O)(=O)N[C@H]2C[C@@H]2C)cc1[N+](=O)[O-]	ZINC000094780633	193398147	/nfs/dbraw/zinc/39/81/47/193398147.db2.gz	QSXHGKNTEFRBLM-WPRPVWTQSA-N	0	0	313.379	2.022	10	5		DEBERN
COc1cc(N2CCC[C@H](Cn3cncn3)C2)ccc1[N+](=O)[O-]	ZINC000266350025	205284979	/nfs/dbraw/zinc/28/49/79/205284979.db2.gz	JJOGQGYMNAXKJX-LBPRGKRZSA-N	0	0	317.349	2.112	10	5		DEBERN
Cc1c(F)cc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)cc1[N+](=O)[O-]	ZINC000274643228	211787890	/nfs/dbraw/zinc/78/78/90/211787890.db2.gz	BAZIEGSSCZEBLB-IUCAKERBSA-N	0	0	316.354	2.319	10	5		DEBERN
CC(C)[C@@H]1N(C(=O)Cn2cnc([N+](=O)[O-])n2)CC12CCCCC2	ZINC000458191410	248194574	/nfs/dbraw/zinc/19/45/74/248194574.db2.gz	OGWMRDHVBYMWBF-ZDUSSCGKSA-N	0	0	321.381	2.004	10	5		DEBERN
O=[N+]([O-])c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)o1	ZINC000040517393	183089537	/nfs/dbraw/zinc/08/95/37/183089537.db2.gz	HRIMGKHTNLWHRI-UHFFFAOYSA-N	0	0	317.055	2.103	10	5		DEBERN
CC[C@H](C)NC(=O)[C@H](C)n1cc(Br)c([N+](=O)[O-])n1	ZINC000040517349	183089550	/nfs/dbraw/zinc/08/95/50/183089550.db2.gz	CHZZLIFLGIVLSQ-BQBZGAKWSA-N	0	0	319.159	2.030	10	5		DEBERN
NN=c1nc[nH]c(Nc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-]	ZINC000040656793	183114793	/nfs/dbraw/zinc/11/47/93/183114793.db2.gz	ATWFELCWQYPKJE-UHFFFAOYSA-N	0	0	314.227	2.433	10	5		DEBERN
COCCNc1ncnc(NCc2ccc(F)cc2)c1[N+](=O)[O-]	ZINC000040656977	183114888	/nfs/dbraw/zinc/11/48/88/183114888.db2.gz	MDDSECDOMHMBML-UHFFFAOYSA-N	0	0	321.312	2.194	10	5		DEBERN
CCNc1ncnc(NCc2ccc(OC)cc2)c1[N+](=O)[O-]	ZINC000040596189	183106598	/nfs/dbraw/zinc/10/65/98/183106598.db2.gz	BWEJCADWNLLCOD-UHFFFAOYSA-N	0	0	303.322	2.437	10	5		DEBERN
O=C(NCC1(O)CCCC1)c1cc([N+](=O)[O-])c(F)c(F)c1F	ZINC000041112866	183166437	/nfs/dbraw/zinc/16/64/37/183166437.db2.gz	GSYGQGWCMKTXQZ-UHFFFAOYSA-N	0	0	318.251	2.047	10	5		DEBERN
Cc1nn(Cc2cccc(Br)c2)c(N)c1[N+](=O)[O-]	ZINC000043670189	183378335	/nfs/dbraw/zinc/37/83/35/183378335.db2.gz	FOYSOYAHNSIKHC-UHFFFAOYSA-N	0	0	311.139	2.493	10	5		DEBERN
COC(=O)[C@H](COc1ccc([N+](=O)[O-])cc1Cl)NC(C)C	ZINC000045462650	183510247	/nfs/dbraw/zinc/51/02/47/183510247.db2.gz	ASIJBJQQDZEEPX-NSHDSACASA-N	0	0	316.741	2.167	10	5		DEBERN
CCCCNS(=O)(=O)c1ccc(NCCC)c([N+](=O)[O-])c1	ZINC000050633460	183791903	/nfs/dbraw/zinc/79/19/03/183791903.db2.gz	IPHIUKFTWMZANP-UHFFFAOYSA-N	0	0	315.395	2.495	10	5		DEBERN
CCCNc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)CC)c1	ZINC000050651701	183794562	/nfs/dbraw/zinc/79/45/62/183794562.db2.gz	GJJAZUZSWCBHFW-UHFFFAOYSA-N	0	0	301.368	2.057	10	5		DEBERN
O=[N+]([O-])c1cccc(-c2noc(C[C@@H](O)C(F)(F)F)n2)c1	ZINC000109486158	194268394	/nfs/dbraw/zinc/26/83/94/194268394.db2.gz	XKDABPCHWXWSFG-MRVPVSSYSA-N	0	0	303.196	2.111	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1COc2ccccc2C1	ZINC000053044416	183884407	/nfs/dbraw/zinc/88/44/07/183884407.db2.gz	RRXWLIJXILJLGC-LBPRGKRZSA-N	0	0	313.313	2.032	10	5		DEBERN
Cc1nn(C)c(C(=O)NC[C@@H]2C[C@@H]2c2ccccc2)c1[N+](=O)[O-]	ZINC000110440575	194330410	/nfs/dbraw/zinc/33/04/10/194330410.db2.gz	JCWWQWSLCUWUNI-QWHCGFSZSA-N	0	0	314.345	2.170	10	5		DEBERN
COC(=O)c1cc([N+](=O)[O-])c(N[C@H](C)[C@H](C)CO)cc1Cl	ZINC000268856978	207025273	/nfs/dbraw/zinc/02/52/73/207025273.db2.gz	ZOBOPANEGNXJCX-HTQZYQBOSA-N	0	0	316.741	2.464	10	5		DEBERN
O=C([O-])[C@H](CCOc1ccc([N+](=O)[O-])c(Cl)c1)[NH2+]C1CC1	ZINC000062595638	184244256	/nfs/dbraw/zinc/24/42/56/184244256.db2.gz	QVKUUUKCLBDQJN-NSHDSACASA-N	0	0	314.725	2.222	10	5		DEBERN
CCc1n[nH]c(C(=O)N[C@@H](CC)c2nccs2)c1[N+](=O)[O-]	ZINC000185702230	207367445	/nfs/dbraw/zinc/36/74/45/207367445.db2.gz	KIFMXYZMANXBLG-QMMMGPOBSA-N	0	0	309.351	2.218	10	5		DEBERN
CCN(Cc1csc([N+](=O)[O-])c1)[C@@H](C)CS(=O)(=O)CC	ZINC000112998775	194548459	/nfs/dbraw/zinc/54/84/59/194548459.db2.gz	SVQODNBQGNKIEX-JTQLQIEISA-N	0	0	320.436	2.301	10	5		DEBERN
COC(=O)c1cc([N+](=O)[O-])c(=O)n(C[C@H](C)c2ccccc2)c1	ZINC000116611831	194758814	/nfs/dbraw/zinc/75/88/14/194758814.db2.gz	MUGAHBKMAGSEOK-NSHDSACASA-N	0	0	316.313	2.347	10	5		DEBERN
O=C(N[C@H](c1ccco1)c1ccccc1)c1[nH]ncc1[N+](=O)[O-]	ZINC000159191393	197334096	/nfs/dbraw/zinc/33/40/96/197334096.db2.gz	YTBLBBGQJPCWAT-ZDUSSCGKSA-N	0	0	312.285	2.430	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)CC(C)C	ZINC000157498432	197191611	/nfs/dbraw/zinc/19/16/11/197191611.db2.gz	RGMGQBRPYNBJQZ-JTQLQIEISA-N	0	0	316.379	2.316	10	5		DEBERN
C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1)C1CC1	ZINC000157409368	197185426	/nfs/dbraw/zinc/18/54/26/197185426.db2.gz	AOBXMQOJKSJRSL-YFKPBYRVSA-N	0	0	310.784	2.387	10	5		DEBERN
CCNc1ccc(S(=O)(=O)N(C)C2CCC2)c([N+](=O)[O-])c1	ZINC000157231408	197171596	/nfs/dbraw/zinc/17/15/96/197171596.db2.gz	JUPPXNITZURXQN-UHFFFAOYSA-N	0	0	313.379	2.200	10	5		DEBERN
Cc1csc([C@H](C)NC(=O)c2cccc(N)c2[N+](=O)[O-])n1	ZINC000157050818	197158473	/nfs/dbraw/zinc/15/84/73/197158473.db2.gz	AZRKALSARVFMFM-QMMMGPOBSA-N	0	0	306.347	2.433	10	5		DEBERN
CCO[C@@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)C12CCCC2	ZINC000156881113	197147293	/nfs/dbraw/zinc/14/72/93/197147293.db2.gz	YULIEWPPSKZXQU-NWDGAFQWSA-N	0	0	321.381	2.141	10	5		DEBERN
CCCc1n[nH]c(C(=O)N2CCO[C@H]3CCCC[C@H]32)c1[N+](=O)[O-]	ZINC000156471805	197115919	/nfs/dbraw/zinc/11/59/19/197115919.db2.gz	WBJPCSZBJZZCLU-NEPJUHHUSA-N	0	0	322.365	2.054	10	5		DEBERN
Cn1cc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)ccc1=O	ZINC000120434186	195165259	/nfs/dbraw/zinc/16/52/59/195165259.db2.gz	MNRVJNPIKBUHLV-UHFFFAOYSA-N	0	0	312.285	2.027	10	5		DEBERN
O=[N+]([O-])c1c(Cl)cccc1NC[C@@H]1CCS(=O)(=O)C1	ZINC000125422537	195747149	/nfs/dbraw/zinc/74/71/49/195747149.db2.gz	BGAXMWFEWLRKDF-QMMMGPOBSA-N	0	0	304.755	2.095	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC([C@@H]2CCOC2)C1	ZINC000373417957	533404636	/nfs/dbraw/zinc/40/46/36/533404636.db2.gz	OADQHIQHMKCYFH-CEFACKQISA-N	0	0	316.357	2.493	10	5		DEBERN
CSCCCCNc1nc2ccccn2c(=O)c1[N+](=O)[O-]	ZINC000301273739	533558190	/nfs/dbraw/zinc/55/81/90/533558190.db2.gz	LCMHGIWYQMXMNK-UHFFFAOYSA-N	0	0	308.363	2.158	10	5		DEBERN
CC(C)N(C(=O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1	ZINC000194769513	132541354	/nfs/dbraw/zinc/54/13/54/132541354.db2.gz	MFGPKXGGJOJUKD-UHFFFAOYSA-N	0	0	306.297	2.372	10	5		DEBERN
C/C(=C/c1nc(CS(C)(=O)=O)no1)c1ccc([N+](=O)[O-])cc1	ZINC000355505825	133030270	/nfs/dbraw/zinc/03/02/70/133030270.db2.gz	HZZGVILLRPCNCQ-CLFYSBASSA-N	0	0	323.330	2.083	10	5		DEBERN
O=[N+]([O-])c1cnc2ccc(N3CCC[C@@H]3c3cccnc3)nn21	ZINC000372450248	133354531	/nfs/dbraw/zinc/35/45/31/133354531.db2.gz	SGPISCIPAWJWDI-GFCCVEGCSA-N	0	0	310.317	2.374	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C)Oc1ccccc1	ZINC000113825045	144635862	/nfs/dbraw/zinc/63/58/62/144635862.db2.gz	XJBDXTDZQWTSSN-NSHDSACASA-N	0	0	315.329	2.496	10	5		DEBERN
Cc1sc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2O)cc1[N+](=O)[O-]	ZINC000178704933	144863195	/nfs/dbraw/zinc/86/31/95/144863195.db2.gz	LAQNTUUCJICASH-BXUZGUMPSA-N	0	0	318.354	2.353	10	5		DEBERN
CNC(=O)[C@@H](NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)C(C)C	ZINC000188058811	145006557	/nfs/dbraw/zinc/00/65/57/145006557.db2.gz	DHTVJBNQYJZTDV-AWEZNQCLSA-N	0	0	321.377	2.219	10	5		DEBERN
CCCN(C[C@@H]1CCCCO1)C(=O)c1[nH]nc(CC)c1[N+](=O)[O-]	ZINC000188434578	145012127	/nfs/dbraw/zinc/01/21/27/145012127.db2.gz	GIXPSDQNGMUKJA-NSHDSACASA-N	0	0	324.381	2.302	10	5		DEBERN
CO[C@@H]1CN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C	ZINC000251646030	145194657	/nfs/dbraw/zinc/19/46/57/145194657.db2.gz	HIYFTTFLPNJFNT-SLEUVZQESA-N	0	0	321.377	2.279	10	5		DEBERN
O=C([O-])[C@@]12CCC[C@H]1C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C2	ZINC000262180543	145268093	/nfs/dbraw/zinc/26/80/93/145268093.db2.gz	QAEYWXFGHOGZOZ-ZUZCIYMTSA-N	0	0	308.309	2.421	10	5		DEBERN
C[C@@H]1CCOCCN1C(=O)c1cc(F)c(F)cc1[N+](=O)[O-]	ZINC000375005486	296590281	/nfs/dbraw/zinc/59/02/81/296590281.db2.gz	RNHKGGPKYMYJMC-MRVPVSSYSA-N	0	0	300.261	2.124	10	5		DEBERN
CC[C@H](NC(=O)NC[C@@H](CO)C1CC1)c1cccc([N+](=O)[O-])c1	ZINC000358902160	147228081	/nfs/dbraw/zinc/22/80/81/147228081.db2.gz	NEYHJXFYFDCRQY-ZFWWWQNUSA-N	0	0	321.377	2.364	10	5		DEBERN
Cn1cc(N2CC[C@@H](Nc3ncc(Cl)cc3[N+](=O)[O-])C2)cn1	ZINC000372095962	148169936	/nfs/dbraw/zinc/16/99/36/148169936.db2.gz	REPHTPKOBAHJJE-SNVBAGLBSA-N	0	0	322.756	2.068	10	5		DEBERN
CC(C)CC[C@](C)(O)CNC(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000075124944	401750157	/nfs/dbraw/zinc/75/01/57/401750157.db2.gz	VCLIMULSDUBXRM-INIZCTEOSA-N	0	0	308.378	2.441	10	5		DEBERN
O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@H]1c1ccco1	ZINC000116039241	401840763	/nfs/dbraw/zinc/84/07/63/401840763.db2.gz	KWNJTOZDXDCXRB-LBPRGKRZSA-N	0	0	304.306	2.138	10	5		DEBERN
Cn1cc([C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)cn1	ZINC000116409968	401852062	/nfs/dbraw/zinc/85/20/62/401852062.db2.gz	MPSUYXKOIQZMPD-LLVKDONJSA-N	0	0	315.333	2.350	10	5		DEBERN
COCCOC1CCN(Cc2csc([N+](=O)[O-])c2)CC1	ZINC000116886708	401862818	/nfs/dbraw/zinc/86/28/18/401862818.db2.gz	TUCMYELYULLYMK-UHFFFAOYSA-N	0	0	300.380	2.284	10	5		DEBERN
COc1ccc(NC(=O)CN2CCCC2(C)C)c([N+](=O)[O-])c1	ZINC000077382637	401812924	/nfs/dbraw/zinc/81/29/24/401812924.db2.gz	GUFSLTCTXYHHFQ-UHFFFAOYSA-N	0	0	307.350	2.416	10	5		DEBERN
CC[C@H](C)C(=O)Cn1cc([N+](=O)[O-])cc(Br)c1=O	ZINC000089691145	401957452	/nfs/dbraw/zinc/95/74/52/401957452.db2.gz	FQMLDMMNQMUPGB-ZETCQYMHSA-N	0	0	317.139	2.134	10	5		DEBERN
Cc1cccc(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)n1	ZINC000054644230	402070264	/nfs/dbraw/zinc/07/02/64/402070264.db2.gz	MAGBIJFPPYLTBW-UHFFFAOYSA-N	0	0	314.345	2.340	10	5		DEBERN
O=C(Cc1ccccc1[N+](=O)[O-])N1CCC(c2cc[nH]n2)CC1	ZINC000125511911	402236680	/nfs/dbraw/zinc/23/66/80/402236680.db2.gz	PRDVYQMFSUFOEQ-UHFFFAOYSA-N	0	0	314.345	2.267	10	5		DEBERN
O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCN(C2CC2)CC1	ZINC000124945455	402204868	/nfs/dbraw/zinc/20/48/68/402204868.db2.gz	MRKLFPPINKJFFD-UHFFFAOYSA-N	0	0	309.753	2.168	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCCn1ccnc1	ZINC000184783177	402299757	/nfs/dbraw/zinc/29/97/57/402299757.db2.gz	HJQBWIRAJVVJNR-QBFSEMIESA-N	0	0	314.345	2.401	10	5		DEBERN
Cc1nccn1C[C@@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000177216479	402382485	/nfs/dbraw/zinc/38/24/85/402382485.db2.gz	PPMSTXFCNTWNKO-HNNXBMFYSA-N	0	0	314.345	2.405	10	5		DEBERN
O=[N+]([O-])c1cn(Cc2nc(-c3ccoc3)no2)nc1C1CC1	ZINC000185174480	402330781	/nfs/dbraw/zinc/33/07/81/402330781.db2.gz	BOLCISPTIKPGCL-UHFFFAOYSA-N	0	0	301.262	2.360	10	5		DEBERN
CCN(CC(F)F)S(=O)(=O)c1cccc([N+](=O)[O-])c1C	ZINC000186442554	402430963	/nfs/dbraw/zinc/43/09/63/402430963.db2.gz	ZJYLFZDYHBFLBQ-UHFFFAOYSA-N	0	0	308.306	2.179	10	5		DEBERN
CCNC(=O)CCCC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1	ZINC000177813784	402438433	/nfs/dbraw/zinc/43/84/33/402438433.db2.gz	DPXSVIFBKXMYNE-AWEZNQCLSA-N	0	0	321.377	2.469	10	5		DEBERN
O=C(c1n[nH]cc1[N+](=O)[O-])N1CC=C(c2cccs2)CC1	ZINC000161565969	402392071	/nfs/dbraw/zinc/39/20/71/402392071.db2.gz	VPFWWGCRWVTGHW-UHFFFAOYSA-N	0	0	304.331	2.309	10	5		DEBERN
COC(=O)c1cncc(NC(=O)c2ccc([N+](=O)[O-])cc2F)c1	ZINC000178398521	402494018	/nfs/dbraw/zinc/49/40/18/402494018.db2.gz	NCHLAEXPLDXZOW-UHFFFAOYSA-N	0	0	319.248	2.168	10	5		DEBERN
O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1Cc2ccccc2[C@H]1O	ZINC000170993117	402547728	/nfs/dbraw/zinc/54/77/28/402547728.db2.gz	YETFTEDHZQEVDC-HUUCEWRRSA-N	0	0	313.313	2.375	10	5		DEBERN
COC(=O)C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000178792517	402540556	/nfs/dbraw/zinc/54/05/56/402540556.db2.gz	OPOKXBNVAGHGFO-NSHDSACASA-N	0	0	306.318	2.071	10	5		DEBERN
Cn1cc([C@H]2CCCN2C(=O)c2cc(F)ccc2[N+](=O)[O-])cn1	ZINC000171347867	402579763	/nfs/dbraw/zinc/57/97/63/402579763.db2.gz	VSLUGWUDIXAWIJ-CYBMUJFWSA-N	0	0	318.308	2.445	10	5		DEBERN
COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](C)[C@@H](OC)C1	ZINC000190410349	402598754	/nfs/dbraw/zinc/59/87/54/402598754.db2.gz	MYQZZUNUUULLRI-YGRLFVJLSA-N	0	0	323.349	2.492	10	5		DEBERN
C[C@H]1CCCC[C@H]1OCCNc1ncc([N+](=O)[O-])cc1C(N)=O	ZINC000193989138	402780879	/nfs/dbraw/zinc/78/08/79/402780879.db2.gz	SJBLYBKYTMOTHH-GXFFZTMASA-N	0	0	322.365	2.096	10	5		DEBERN
Nc1ccc([N+](=O)[O-])c(N2CCO[C@H](c3nccs3)C2)c1	ZINC000192787704	402749771	/nfs/dbraw/zinc/74/97/71/402749771.db2.gz	USFPWDRJNAHGTJ-LBPRGKRZSA-N	0	0	306.347	2.211	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)Cn1cccn1	ZINC000273414129	403002647	/nfs/dbraw/zinc/00/26/47/403002647.db2.gz	UFPHGLYIKHJFPP-RSKUSDAESA-N	0	0	314.345	2.400	10	5		DEBERN
C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)C[C@@H](C)O1	ZINC000283597799	403208942	/nfs/dbraw/zinc/20/89/42/403208942.db2.gz	UHQDIKFQHNCUGV-GHMZBOCLSA-N	0	0	317.349	2.004	10	5		DEBERN
Cc1cc(N2CCS(=O)(=O)C(C)(C)C2)c(F)cc1[N+](=O)[O-]	ZINC000292620753	403372120	/nfs/dbraw/zinc/37/21/20/403372120.db2.gz	NNEJTQWWWSFBFE-UHFFFAOYSA-N	0	0	316.354	2.056	10	5		DEBERN
CCN(Cc1ccoc1)c1nc2ccccn2c(=O)c1[N+](=O)[O-]	ZINC000301163450	403596362	/nfs/dbraw/zinc/59/63/62/403596362.db2.gz	HUXISECNQFDPDA-UHFFFAOYSA-N	0	0	314.301	2.222	10	5		DEBERN
O=C(Nc1cncc(Br)c1)c1cc([N+](=O)[O-])c[nH]1	ZINC000301705842	403667900	/nfs/dbraw/zinc/66/79/00/403667900.db2.gz	XIOPSRHIUCXQKU-UHFFFAOYSA-N	0	0	311.095	2.333	10	5		DEBERN
O=[N+]([O-])c1ccc(F)cc1N1CCN(CC(F)(F)F)CC1	ZINC000302866643	403736411	/nfs/dbraw/zinc/73/64/11/403736411.db2.gz	VNXUUSSXNWKUGH-UHFFFAOYSA-N	0	0	307.247	2.418	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCS[C@@H](C)C1	ZINC000171712439	292294093	/nfs/dbraw/zinc/29/40/93/292294093.db2.gz	BJGDONZSZPHJOG-JTQLQIEISA-N	0	0	316.404	2.029	10	5		DEBERN
COc1cccc(C(=O)N2CC[C@H](C)[C@@H](OC)C2)c1[N+](=O)[O-]	ZINC000192912851	286442290	/nfs/dbraw/zinc/44/22/90/286442290.db2.gz	ZOTOIADJYVNTOY-GWCFXTLKSA-N	0	0	308.334	2.100	10	5		DEBERN
COc1cccc(N2CC[C@@](O)(C(F)(F)F)C2)c1[N+](=O)[O-]	ZINC000185465301	286457949	/nfs/dbraw/zinc/45/79/49/286457949.db2.gz	REJVYZHVOQLOKS-NSHDSACASA-N	0	0	306.240	2.107	10	5		DEBERN
C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCO[C@H]([C@H](C)O)C1	ZINC000414592934	404689248	/nfs/dbraw/zinc/68/92/48/404689248.db2.gz	ZWOASPBHRYLGQD-ARRLWOLASA-N	0	0	306.362	2.080	10	5		DEBERN
C[C@H]1CCOCCN1C(=O)CCOc1ccccc1[N+](=O)[O-]	ZINC000367661284	405117624	/nfs/dbraw/zinc/11/76/24/405117624.db2.gz	LGLDEEWPPNBRRD-LBPRGKRZSA-N	0	0	308.334	2.001	10	5		DEBERN
C/C=C\C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)OCC	ZINC000361532358	405118161	/nfs/dbraw/zinc/11/81/61/405118161.db2.gz	GCRIGFWEDIBGOB-PKXJPQMGSA-N	0	0	320.345	2.151	10	5		DEBERN
O=C(NCCNc1ccc([N+](=O)[O-])nc1)NC1CCCCC1	ZINC000450410241	405884265	/nfs/dbraw/zinc/88/42/65/405884265.db2.gz	LNQNNLBBHUPQAW-UHFFFAOYSA-N	0	0	307.354	2.034	10	5		DEBERN
COC(=O)c1cc(C)nc(N[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-]	ZINC000553464614	406759632	/nfs/dbraw/zinc/75/96/32/406759632.db2.gz	GJJAKSXGPRNWIP-JGPRNRPPSA-N	0	0	323.349	2.453	10	5		DEBERN
NC(=O)c1c(Br)cc(Br)cc1[N+](=O)[O-]	ZINC000575695617	406819749	/nfs/dbraw/zinc/81/97/49/406819749.db2.gz	VJYYRHQIHIOGEE-UHFFFAOYSA-N	0	0	323.928	2.219	10	5		DEBERN
COC(=O)[C@H]1CN(c2cc(F)cc(F)c2[N+](=O)[O-])C[C@@H]1C	ZINC000129401910	196045191	/nfs/dbraw/zinc/04/51/91/196045191.db2.gz	QLUSLWIMXHYQTB-CBAPKCEASA-N	0	0	300.261	2.118	10	5		DEBERN
C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)C1	ZINC000129850503	196081097	/nfs/dbraw/zinc/08/10/97/196081097.db2.gz	VPQVKNXHOWDADO-AOOOYVTPSA-N	0	0	316.354	2.401	10	5		DEBERN
Cc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)o1	ZINC000131214911	196150263	/nfs/dbraw/zinc/15/02/63/196150263.db2.gz	SLZAMVMLFUYVIH-UHFFFAOYSA-N	0	0	314.294	2.114	10	5		DEBERN
CC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)nc1	ZINC000131244541	196153068	/nfs/dbraw/zinc/15/30/68/196153068.db2.gz	GTHAGWDWGOELIO-UHFFFAOYSA-N	0	0	300.274	2.148	10	5		DEBERN
CN(C(=O)c1ccnc(Cl)c1[N+](=O)[O-])[C@H]1CCCC[C@H]1O	ZINC000131407422	196166102	/nfs/dbraw/zinc/16/61/02/196166102.db2.gz	QQUPSCADFKVJRJ-VHSXEESVSA-N	0	0	313.741	2.019	10	5		DEBERN
Cc1c(Br)c(N[C@H](C)[C@@H](C)CO)ncc1[N+](=O)[O-]	ZINC000131664748	196188844	/nfs/dbraw/zinc/18/88/44/196188844.db2.gz	CWABYOXUCYBUFW-POYBYMJQSA-N	0	0	318.171	2.490	10	5		DEBERN
CNc1cc(S(=O)(=O)N2CCC[C@H](C)C2)ccc1[N+](=O)[O-]	ZINC000131749065	196195795	/nfs/dbraw/zinc/19/57/95/196195795.db2.gz	GIVFTWVCGFBDAJ-JTQLQIEISA-N	0	0	313.379	2.057	10	5		DEBERN
C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1	ZINC000131810088	196201468	/nfs/dbraw/zinc/20/14/68/196201468.db2.gz	FAXUBHUBHVLMIQ-CABZTGNLSA-N	0	0	313.379	2.034	10	5		DEBERN
Nc1cc(S(=O)(=O)NCC2CCCCC2)ccc1[N+](=O)[O-]	ZINC000131917294	196210158	/nfs/dbraw/zinc/21/01/58/196210158.db2.gz	GGEKBHMTNXQUSN-UHFFFAOYSA-N	0	0	313.379	2.036	10	5		DEBERN
CNc1cc(S(=O)(=O)NC[C@@H](C)C(C)C)ccc1[N+](=O)[O-]	ZINC000132784832	196283302	/nfs/dbraw/zinc/28/33/02/196283302.db2.gz	AUQMTPZXKVOIOX-SNVBAGLBSA-N	0	0	315.395	2.207	10	5		DEBERN
C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[S@@](C)=O	ZINC000132929918	196297230	/nfs/dbraw/zinc/29/72/30/196297230.db2.gz	XWTAJNUGCMRMRY-FHZGZLOMSA-N	0	0	318.782	2.135	10	5		DEBERN
COC(COc1c(Br)cccc1[N+](=O)[O-])OC	ZINC000133760946	196334732	/nfs/dbraw/zinc/33/47/32/196334732.db2.gz	SMGJDKFDSVPSMM-UHFFFAOYSA-N	0	0	306.112	2.355	10	5		DEBERN
COC(=O)[C@H]1CCCCN1c1c(F)c(F)ccc1[N+](=O)[O-]	ZINC000133900074	196344785	/nfs/dbraw/zinc/34/47/85/196344785.db2.gz	OSDVKCIXKULYKW-SNVBAGLBSA-N	0	0	300.261	2.405	10	5		DEBERN
C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1nnc2n1CCCC2	ZINC000134079403	196359033	/nfs/dbraw/zinc/35/90/33/196359033.db2.gz	RFERRXCTDBMLNC-SNVBAGLBSA-N	0	0	315.333	2.014	10	5		DEBERN
CSc1nnc(Sc2ccc([N+](=O)[O-])c(N)n2)s1	ZINC000135604816	196493099	/nfs/dbraw/zinc/49/30/99/196493099.db2.gz	WIZVZEFDDOVRAF-UHFFFAOYSA-N	0	0	301.378	2.297	10	5		DEBERN
CNc1cc(S(=O)(=O)N[C@@H](C)C2CCC2)ccc1[N+](=O)[O-]	ZINC000138101274	196582512	/nfs/dbraw/zinc/58/25/12/196582512.db2.gz	NJWSAOPKHYMLKH-VIFPVBQESA-N	0	0	313.379	2.103	10	5		DEBERN
O=C(C/C=C/c1cccc(F)c1)NCCn1cc([N+](=O)[O-])cn1	ZINC000157006466	224693499	/nfs/dbraw/zinc/69/34/99/224693499.db2.gz	RINGHGRPJUSFDO-DUXPYHPUSA-N	0	0	318.308	2.150	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCOc3ccccc32)n1	ZINC000191471825	225111979	/nfs/dbraw/zinc/11/19/79/225111979.db2.gz	PTWPJXZWGNAJNS-LLVKDONJSA-N	0	0	316.317	2.065	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)Cc2ccccc2C)n1	ZINC000191553406	225113708	/nfs/dbraw/zinc/11/37/08/225113708.db2.gz	UAVUWQWAYCROEO-LBPRGKRZSA-N	0	0	316.361	2.481	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H](OC)C2(CC)CC)n1	ZINC000191675205	225114742	/nfs/dbraw/zinc/11/47/42/225114742.db2.gz	LIZAWLNETHIXSX-NEPJUHHUSA-N	0	0	324.381	2.135	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ncc(C)s2)n1	ZINC000191656636	225115083	/nfs/dbraw/zinc/11/50/83/225115083.db2.gz	JIGWGXCALCDWNN-QMMMGPOBSA-N	0	0	309.351	2.067	10	5		DEBERN
COC(=O)c1cncc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000178394091	267576930	/nfs/dbraw/zinc/57/69/30/267576930.db2.gz	XZGSPAORDXPHLX-UHFFFAOYSA-N	0	0	315.285	2.337	10	5		DEBERN
COC(=O)c1cncc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1	ZINC000178399305	267577827	/nfs/dbraw/zinc/57/78/27/267577827.db2.gz	KKMJNIFSFCNEIH-UHFFFAOYSA-N	0	0	315.285	2.337	10	5		DEBERN
CN(C[C@H]1CCCO1)c1ncc([N+](=O)[O-])cc1Br	ZINC000267258795	268645384	/nfs/dbraw/zinc/64/53/84/268645384.db2.gz	PTKHOHCXWCSGLQ-SECBINFHSA-N	0	0	316.155	2.368	10	5		DEBERN
CC(C)(C)OC(=O)n1cnc2c1nc([N+](=O)[O-])cc2[N+](=O)[O-]	ZINC000089202879	275523902	/nfs/dbraw/zinc/52/39/02/275523902.db2.gz	RILHATYDCHXEIL-UHFFFAOYSA-N	0	0	309.238	2.031	10	5		DEBERN
CCN1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1=O	ZINC000302725061	276238178	/nfs/dbraw/zinc/23/81/78/276238178.db2.gz	NFIIXZRINVBHPU-UHFFFAOYSA-N	0	0	303.240	2.240	10	5		DEBERN
CC(=O)c1ccc(N2CCn3cc(C)nc3C2)c([N+](=O)[O-])c1	ZINC000374711068	277111994	/nfs/dbraw/zinc/11/19/94/277111994.db2.gz	GIFZYEXPDGWGHB-UHFFFAOYSA-N	0	0	300.318	2.323	10	5		DEBERN
O=C([C@H]1CCCCS1)N1CCc2ncc([N+](=O)[O-])cc2C1	ZINC000408180540	280130915	/nfs/dbraw/zinc/13/09/15/280130915.db2.gz	SAPBEXCEGDITEZ-CYBMUJFWSA-N	0	0	307.375	2.160	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](C)OC3(CCOCC3)C2)n1	ZINC000408449120	301205934	/nfs/dbraw/zinc/20/59/34/301205934.db2.gz	AEJALFYVQGIKNS-ZDUSSCGKSA-N	0	0	321.377	2.381	10	5		DEBERN
NC(=O)c1ccnc(N2CC3C[C@@H]4CC2C[C@H](C3)C4)c1[N+](=O)[O-]	ZINC000290707089	303349352	/nfs/dbraw/zinc/34/93/52/303349352.db2.gz	WXPMEVNOLRABMJ-ZYANWLCNSA-N	0	0	316.361	2.104	10	5		DEBERN
NC(=O)CCCCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1	ZINC000188970619	333060210	/nfs/dbraw/zinc/06/02/10/333060210.db2.gz	SRKGPIBXNNRSOH-UHFFFAOYSA-N	0	0	319.361	2.132	10	5		DEBERN
COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CCC[C@@H](C(N)=O)C2)c1	ZINC000301487252	533994448	/nfs/dbraw/zinc/99/44/48/533994448.db2.gz	YKAZYJLSDAKRHT-BDAKNGLRSA-N	0	0	311.313	2.199	10	5		DEBERN
CN(C[C@H]1CCCO1)C(=O)CCNc1ccccc1[N+](=O)[O-]	ZINC000170679196	523121217	/nfs/dbraw/zinc/12/12/17/523121217.db2.gz	YPEGBSPWWKSGSX-GFCCVEGCSA-N	0	0	307.350	2.034	10	5		DEBERN
CCOC(=O)[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000194682656	528051240	/nfs/dbraw/zinc/05/12/40/528051240.db2.gz	OENCUXGPJUGOKX-CQSZACIVSA-N	0	0	320.345	2.461	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(O)cc2SC)n1	ZINC000191902230	529154746	/nfs/dbraw/zinc/15/47/46/529154746.db2.gz	WYVZNCIDJTZETI-UHFFFAOYSA-N	0	0	322.346	2.491	10	5		DEBERN
CC(=O)c1cnc(NC(=O)c2c(N)cccc2[N+](=O)[O-])s1	ZINC000181095170	534936021	/nfs/dbraw/zinc/93/60/21/534936021.db2.gz	LZLOGXQUSKEDCF-UHFFFAOYSA-N	0	0	306.303	2.088	10	5		DEBERN
COC[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])s1)C(F)(F)F	ZINC000362201524	536805713	/nfs/dbraw/zinc/80/57/13/536805713.db2.gz	GZSYVJLQMYGVHR-SECBINFHSA-N	0	0	312.269	2.354	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1C(=O)OCCN1CCSCC1	ZINC000127655224	624883166	/nfs/dbraw/zinc/88/31/66/624883166.db2.gz	BZWZPIXPJHEECD-UHFFFAOYSA-N	0	0	310.375	2.109	10	5		DEBERN
O=C(OCCn1cnc([N+](=O)[O-])n1)c1cccc2ccccc21	ZINC000176694991	624914869	/nfs/dbraw/zinc/91/48/69/624914869.db2.gz	QMJVOACUFZXTAP-UHFFFAOYSA-N	0	0	312.285	2.197	10	5		DEBERN
CC(C)C(=O)N1CCC[C@H]1C(=O)OCc1cccc([N+](=O)[O-])c1	ZINC000122628800	625087380	/nfs/dbraw/zinc/08/73/80/625087380.db2.gz	ANOYYYLEDNILNG-AWEZNQCLSA-N	0	0	320.345	2.285	10	5		DEBERN
C[C@H](OC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccc([N+](=O)[O-])cc1	ZINC000066876923	633734997	/nfs/dbraw/zinc/73/49/97/633734997.db2.gz	FSJGOUZHSKGWCB-VIFPVBQESA-N	0	0	320.261	2.004	10	5		DEBERN
CCOC(=O)[C@H](CC1CC1)NC(=O)c1cccc([N+](=O)[O-])c1C	ZINC000752381000	639177609	/nfs/dbraw/zinc/17/76/09/639177609.db2.gz	ATIRKCBTTGKIBH-ZDUSSCGKSA-N	0	0	320.345	2.365	10	5		DEBERN
C/C(=C\C(=O)NC[C@@H]1COC(C)(C)O1)c1ccc([N+](=O)[O-])cc1	ZINC000752559100	639197841	/nfs/dbraw/zinc/19/78/41/639197841.db2.gz	FSIQHNSXEBHRBO-BMGYJQCNSA-N	0	0	320.345	2.266	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](CO)C(C)C	ZINC000805311548	640813455	/nfs/dbraw/zinc/81/34/55/640813455.db2.gz	XGYIKWKYQCRNKQ-UNJUUPHPSA-N	0	0	306.362	2.379	10	5		DEBERN
CCO[C@H]1C[C@@H](N(C)Cn2cc([N+](=O)[O-])cn2)C12CCCC2	ZINC000156505435	646430092	/nfs/dbraw/zinc/43/00/92/646430092.db2.gz	LXEQGOQBZOPRBF-KGLIPLIRSA-N	0	0	308.382	2.418	10	5		DEBERN
O=C(CCCNc1ccc([N+](=O)[O-])cc1)OCCn1cccn1	ZINC000170729163	646662654	/nfs/dbraw/zinc/66/26/54/646662654.db2.gz	SUPFYRKWUUJOQF-UHFFFAOYSA-N	0	0	318.333	2.227	10	5		DEBERN
Cc1ccc([C@@H](C)OC(=O)CCc2nnc[nH]2)cc1[N+](=O)[O-]	ZINC000152863121	647292267	/nfs/dbraw/zinc/29/22/67/647292267.db2.gz	SBOXGGJUGYYGLJ-SNVBAGLBSA-N	0	0	304.306	2.258	10	5		DEBERN
C[C@H](Cc1ccccc1)OC(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000077942429	683957944	/nfs/dbraw/zinc/95/79/44/683957944.db2.gz	YIFISRKFOUDHRX-GFCCVEGCSA-N	0	0	303.318	2.356	10	5		DEBERN
CO[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CCSC1	ZINC000096364342	684053514	/nfs/dbraw/zinc/05/35/14/684053514.db2.gz	DCYLCDQZZKPCNJ-CQSZACIVSA-N	0	0	310.375	2.155	10	5		DEBERN
CCO[C@H]1C[C@@H](OC(=O)Cn2ccc([N+](=O)[O-])n2)C12CCCC2	ZINC000119604702	684084174	/nfs/dbraw/zinc/08/41/74/684084174.db2.gz	BYINNJPNAATAOI-NWDGAFQWSA-N	0	0	323.349	2.072	10	5		DEBERN
CCc1cc(C)c(C(=O)OCCn2c(C)ncc2[N+](=O)[O-])o1	ZINC000128901681	684174755	/nfs/dbraw/zinc/17/47/55/684174755.db2.gz	PTBQQXVEYSOYNW-UHFFFAOYSA-N	0	0	307.306	2.421	10	5		DEBERN
O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)OC[C@H]1CC=CCC1	ZINC000192648115	684454557	/nfs/dbraw/zinc/45/45/57/684454557.db2.gz	MAKUBWJPCXNZEF-LBPRGKRZSA-N	0	0	318.329	2.224	10	5		DEBERN
CC(C)(CNc1ccc([N+](=O)[O-])cc1F)CS(C)(=O)=O	ZINC000723879760	777198096	/nfs/dbraw/zinc/19/80/96/777198096.db2.gz	SAIVQRHXERNFTG-UHFFFAOYSA-N	0	0	304.343	2.217	10	5		DEBERN
CO[C@](C)(CO)CNc1cccc(Br)c1[N+](=O)[O-]	ZINC000705326426	1086613370	/nfs/dbraw/zinc/61/33/70/1086613370.db2.gz	PKNVQTPPNIAYGT-NSHDSACASA-N	0	0	319.155	2.167	10	5		DEBERN
O=C1CC[C@@H](CNc2cc(Br)ccc2[N+](=O)[O-])N1	ZINC000087834659	185232712	/nfs/dbraw/zinc/23/27/12/185232712.db2.gz	RPFUVQZTIQQDSN-QMMMGPOBSA-N	0	0	314.139	2.048	10	5		DEBERN
COC(=O)CCNc1cc(Br)ccc1[N+](=O)[O-]	ZINC000087834212	185232780	/nfs/dbraw/zinc/23/27/80/185232780.db2.gz	CDTMDYQSGFYGSK-UHFFFAOYSA-N	0	0	303.112	2.332	10	5		DEBERN
O=C1CC[C@H](CNc2cc(Br)ccc2[N+](=O)[O-])N1	ZINC000087834660	185232797	/nfs/dbraw/zinc/23/27/97/185232797.db2.gz	RPFUVQZTIQQDSN-MRVPVSSYSA-N	0	0	314.139	2.048	10	5		DEBERN
CC[C@H](NC(=O)NCC1(C)COC1)c1cccc([N+](=O)[O-])c1	ZINC000090564766	185303911	/nfs/dbraw/zinc/30/39/11/185303911.db2.gz	JIBKVMIJSBDYOT-ZDUSSCGKSA-N	0	0	307.350	2.382	10	5		DEBERN
COC[C@](C)(CO)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1	ZINC000613534239	362138954	/nfs/dbraw/zinc/13/89/54/362138954.db2.gz	KPEHQDQRZRZCIX-INIZCTEOSA-N	0	0	324.377	2.020	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C)CC[NH+]2CCN(C)CC2)n1	ZINC000613704756	362185253	/nfs/dbraw/zinc/18/52/53/362185253.db2.gz	QESXCWFLFUQRTF-CYBMUJFWSA-N	0	0	321.425	2.045	10	5		DEBERN
Cc1cc(N2CC(CO)C2)c(Br)cc1[N+](=O)[O-]	ZINC000192181181	282337885	/nfs/dbraw/zinc/33/78/85/282337885.db2.gz	PLIDBSPXSYBDOX-UHFFFAOYSA-N	0	0	301.140	2.094	10	5		DEBERN
CCCN(CCC)S(=O)(=O)c1ccc(NC)cc1[N+](=O)[O-]	ZINC000050639402	190680076	/nfs/dbraw/zinc/68/00/76/190680076.db2.gz	ARRMNOCKEFGUFD-UHFFFAOYSA-N	0	0	315.395	2.447	10	5		DEBERN
CNc1cccc(S(=O)(=O)N(C)CC2CCC2)c1[N+](=O)[O-]	ZINC000126989844	185910755	/nfs/dbraw/zinc/91/07/55/185910755.db2.gz	YOSDFCKUQGFRIO-UHFFFAOYSA-N	0	0	313.379	2.057	10	5		DEBERN
CNc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCC[C@@H]1C	ZINC000071211352	190942421	/nfs/dbraw/zinc/94/24/21/190942421.db2.gz	FRWGNKWAZXICLS-GXSJLCMTSA-N	0	0	313.379	2.103	10	5		DEBERN
CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC(C)C1	ZINC000133619614	186000328	/nfs/dbraw/zinc/00/03/28/186000328.db2.gz	KJONPUBVVXXJSP-UHFFFAOYSA-N	0	0	313.379	2.103	10	5		DEBERN
Cc1nc2cc(NN3CCN(C)CC3)c([N+](=O)[O-])cc2s1	ZINC000148466274	186044275	/nfs/dbraw/zinc/04/42/75/186044275.db2.gz	PBPFFSNNAHTRLZ-UHFFFAOYSA-N	0	0	307.379	2.087	10	5		DEBERN
CNc1nc(OC)nc(Oc2ccc([N+](=O)[O-])c(Cl)c2)n1	ZINC000148337132	186044379	/nfs/dbraw/zinc/04/43/79/186044379.db2.gz	QKHFUAWAYKMOEZ-UHFFFAOYSA-N	0	0	311.685	2.276	10	5		DEBERN
O=[N+]([O-])c1ccc(CO)cc1OCc1cn2ccsc2n1	ZINC000148779911	186045757	/nfs/dbraw/zinc/04/57/57/186045757.db2.gz	AYCLXCJWXOEFFG-UHFFFAOYSA-N	0	0	305.315	2.375	10	5		DEBERN
CCNc1cc(Sc2nc(N)cc(N)n2)cc([N+](=O)[O-])c1	ZINC000150320620	186056826	/nfs/dbraw/zinc/05/68/26/186056826.db2.gz	YXKIMRDCFAVGTA-UHFFFAOYSA-N	0	0	306.351	2.132	10	5		DEBERN
CCS[C@H](C)c1noc(Cn2cc([N+](=O)[O-])cc(C)c2=O)n1	ZINC000155817292	186115419	/nfs/dbraw/zinc/11/54/19/186115419.db2.gz	JETSVFICGVHSIA-SECBINFHSA-N	0	0	324.362	2.310	10	5		DEBERN
CCNc1ccc(S(=O)(=O)NC2CC(C)C2)cc1[N+](=O)[O-]	ZINC000163899313	186141499	/nfs/dbraw/zinc/14/14/99/186141499.db2.gz	FJEPOZGWLUILOZ-UHFFFAOYSA-N	0	0	313.379	2.103	10	5		DEBERN
Cn1ccnc1CC1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1	ZINC000193414118	282740926	/nfs/dbraw/zinc/74/09/26/282740926.db2.gz	IIRKFDSBVAOFGM-UHFFFAOYSA-N	0	0	315.377	2.370	10	5		DEBERN
COC[C@H](C)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1	ZINC000173639544	198235488	/nfs/dbraw/zinc/23/54/88/198235488.db2.gz	HRRGXXDGQDGOCZ-LBPRGKRZSA-N	0	0	322.361	2.247	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](C)c1cccnc1	ZINC000174162102	198300777	/nfs/dbraw/zinc/30/07/77/198300777.db2.gz	SOLLXYONCBGFFT-NSHDSACASA-N	0	0	315.329	2.418	10	5		DEBERN
COC(=O)[C@@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1C	ZINC000042647290	354201740	/nfs/dbraw/zinc/20/17/40/354201740.db2.gz	IERBHFSRPKEDLD-ZDUSSCGKSA-N	0	0	306.318	2.071	10	5		DEBERN
O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccc(Cl)o2)c1	ZINC000074852719	191371354	/nfs/dbraw/zinc/37/13/54/191371354.db2.gz	LWEJFWYYKSGZGV-UHFFFAOYSA-N	0	0	316.722	2.320	10	5		DEBERN
CNC(=O)c1ccc(N2C[C@@H]3CC=CC[C@H]3C2)c([N+](=O)[O-])c1	ZINC000078371196	355257349	/nfs/dbraw/zinc/25/73/49/355257349.db2.gz	NENGBFFSFUDVSH-STQMWFEESA-N	0	0	301.346	2.357	10	5		DEBERN
CCOC(=O)[C@@H](C)[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000184711790	199755221	/nfs/dbraw/zinc/75/52/21/199755221.db2.gz	DSDNIJOAAKLGHL-YUMQZZPRSA-N	0	0	314.363	2.282	10	5		DEBERN
Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]1C(=O)OC(C)C	ZINC000578841344	356879201	/nfs/dbraw/zinc/87/92/01/356879201.db2.gz	AQEZQYXCQJERPQ-ZDUSSCGKSA-N	0	0	320.345	2.459	10	5		DEBERN
O=C(Nc1ccccc1CO)c1ccnc(Cl)c1[N+](=O)[O-]	ZINC000088804149	192644288	/nfs/dbraw/zinc/64/42/88/192644288.db2.gz	CWFFHOHTKMZHHT-UHFFFAOYSA-N	0	0	307.693	2.388	10	5		DEBERN
COC(=O)c1cc(C)nc(N2C[C@H](C)O[C@H](C)[C@@H]2C)c1[N+](=O)[O-]	ZINC000588027522	357390111	/nfs/dbraw/zinc/39/01/11/357390111.db2.gz	SNFIOYJFVHQZKE-GARJFASQSA-N	0	0	323.349	2.087	10	5		DEBERN
Cn1c(CO)nnc1SCc1cc([N+](=O)[O-])ccc1Cl	ZINC000179010445	198967833	/nfs/dbraw/zinc/96/78/33/198967833.db2.gz	NZWYKUHFPDKIKM-UHFFFAOYSA-N	0	0	314.754	2.161	10	5		DEBERN
O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CCCC[C@H]1CO	ZINC000179233251	199002072	/nfs/dbraw/zinc/00/20/72/199002072.db2.gz	APABQAVXVADOPX-STQMWFEESA-N	0	0	322.361	2.031	10	5		DEBERN
CC[C@@H](NC(=O)CCCC(=O)NC)c1cccc([N+](=O)[O-])c1	ZINC000180127342	199120408	/nfs/dbraw/zinc/12/04/08/199120408.db2.gz	WIRZYPAWROTIHO-CYBMUJFWSA-N	0	0	307.350	2.078	10	5		DEBERN
O=[N+]([O-])c1cccc(Br)c1NC1COCCOC1	ZINC000596238337	358649031	/nfs/dbraw/zinc/64/90/31/358649031.db2.gz	QIULXDMDFVSVTC-UHFFFAOYSA-N	0	0	317.139	2.185	10	5		DEBERN
Cn1cc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)nn1	ZINC000618988328	363659242	/nfs/dbraw/zinc/65/92/42/363659242.db2.gz	ODZSDKGFCXPVGU-CQSZACIVSA-N	0	0	301.350	2.236	10	5		DEBERN
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[C@@H](O)CC1CCCC1	ZINC000188643486	200279402	/nfs/dbraw/zinc/27/94/02/200279402.db2.gz	IRPPMWRTPQYLSE-LBPRGKRZSA-N	0	0	318.329	2.132	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCCC23CCC3)cc1	ZINC000444787438	238320170	/nfs/dbraw/zinc/32/01/70/238320170.db2.gz	XWKZGSIMBGYLBY-UHFFFAOYSA-N	0	0	324.402	2.387	10	5		DEBERN
O=C(N[C@H]1CCCC(F)(F)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000444958676	238365811	/nfs/dbraw/zinc/36/58/11/238365811.db2.gz	IWAMXXWWXMSAMI-QMMMGPOBSA-N	0	0	301.249	2.003	10	5		DEBERN
CC(C)C(=O)N1CCC(Nc2cc(N)ccc2[N+](=O)[O-])CC1	ZINC000192774803	200938488	/nfs/dbraw/zinc/93/84/88/200938488.db2.gz	GULPTPRXMGACTC-UHFFFAOYSA-N	0	0	306.366	2.236	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(=O)[C@H](C)C1	ZINC000193921273	201147491	/nfs/dbraw/zinc/14/74/91/201147491.db2.gz	HUMTXONLSYMNAA-LMMOQWNQSA-N	0	0	302.330	2.436	10	5		DEBERN
CCOC(=O)C1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1	ZINC000611615472	361644473	/nfs/dbraw/zinc/64/44/73/361644473.db2.gz	CWTVSFOWDLTYPE-UHFFFAOYSA-N	0	0	307.350	2.386	10	5		DEBERN
[NH3+][C@]1(C(=O)[O-])CCC[C@H](Oc2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000093775137	193305258	/nfs/dbraw/zinc/30/52/58/193305258.db2.gz	ULPNJIYSAHTHDM-TVQRCGJNSA-N	0	0	314.725	2.352	10	5		DEBERN
Cc1nc(CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)no1	ZINC000094151420	193347097	/nfs/dbraw/zinc/34/70/97/193347097.db2.gz	ANNAWKIPCHTMNH-UHFFFAOYSA-N	0	0	304.306	2.141	10	5		DEBERN
CCNc1cc(CSCCS(C)(=O)=O)ccc1[N+](=O)[O-]	ZINC000094778282	193396169	/nfs/dbraw/zinc/39/61/69/193396169.db2.gz	HXVCUSAJXGMMJS-UHFFFAOYSA-N	0	0	318.420	2.304	10	5		DEBERN
Cc1ncsc1CN(C)Cc1ccc([N+](=O)[O-])c(NN)c1	ZINC000094778622	193396286	/nfs/dbraw/zinc/39/62/86/193396286.db2.gz	VRFIFQFQNXOPFF-UHFFFAOYSA-N	0	0	307.379	2.277	10	5		DEBERN
Cc1cc(N)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)C(C)C	ZINC000094780694	193397762	/nfs/dbraw/zinc/39/77/62/193397762.db2.gz	QXNWXQPZBWUINI-SNVBAGLBSA-N	0	0	315.395	2.056	10	5		DEBERN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[C@@H]1C=CS(=O)(=O)C1	ZINC000019538449	182129155	/nfs/dbraw/zinc/12/91/55/182129155.db2.gz	IBQAWMQIXJARBK-MRVPVSSYSA-N	0	0	322.264	2.336	10	5		DEBERN
CCOc1ccc(C(=O)N[C@H]2C[C@@H](OCC)C2)cc1[N+](=O)[O-]	ZINC000457862327	248047993	/nfs/dbraw/zinc/04/79/93/248047993.db2.gz	RUOYDYLXZSWZSJ-TXEJJXNPSA-N	0	0	308.334	2.291	10	5		DEBERN
CCOc1ccc(C(=O)N[C@@H](C)c2ccn(C)n2)cc1[N+](=O)[O-]	ZINC000458298412	248252282	/nfs/dbraw/zinc/25/22/82/248252282.db2.gz	MONZGFWFWPZROQ-JTQLQIEISA-N	0	0	318.333	2.218	10	5		DEBERN
CCOC(=O)c1ccccc1Nc1ncnc(NC)c1[N+](=O)[O-]	ZINC000040596015	183106897	/nfs/dbraw/zinc/10/68/97/183106897.db2.gz	XUVGXXSCEZHFNV-UHFFFAOYSA-N	0	0	317.305	2.347	10	5		DEBERN
C[C@@H](O)CNc1ncnc2[nH]c(-c3cccc([N+](=O)[O-])c3)cc21	ZINC000041472484	183192993	/nfs/dbraw/zinc/19/29/93/183192993.db2.gz	QWIDNXDPKWSZIL-SECBINFHSA-N	0	0	313.317	2.326	10	5		DEBERN
NC(=O)c1coc(CNC/C=C\c2ccccc2[N+](=O)[O-])c1	ZINC000494448654	249508300	/nfs/dbraw/zinc/50/83/00/249508300.db2.gz	BFTFVNUCPWTMOS-HYXAFXHYSA-N	0	0	301.302	2.090	10	5		DEBERN
Cc1cnc(N2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)c([N+](=O)[O-])c1	ZINC000284447110	218031532	/nfs/dbraw/zinc/03/15/32/218031532.db2.gz	AYOZRDDWNBFJIW-IOASZLSFSA-N	0	0	321.377	2.055	10	5		DEBERN
CC(=O)CC(=O)Nc1cc([N+](=O)[O-])ccc1Br	ZINC000159465534	197356271	/nfs/dbraw/zinc/35/62/71/197356271.db2.gz	CQTZPHSRAXJYNM-UHFFFAOYSA-N	0	0	301.096	2.275	10	5		DEBERN
O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H](n2cncn2)C1	ZINC000105899343	194164848	/nfs/dbraw/zinc/16/48/48/194164848.db2.gz	CHSQFTPSAAQGEG-NSHDSACASA-N	0	0	305.313	2.163	10	5		DEBERN
CCCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1NC	ZINC000050632109	183791645	/nfs/dbraw/zinc/79/16/45/183791645.db2.gz	XJBXCZBWWJFEIY-UHFFFAOYSA-N	0	0	301.368	2.057	10	5		DEBERN
CCCN(CC)S(=O)(=O)c1cc(NC)ccc1[N+](=O)[O-]	ZINC000050651600	183794572	/nfs/dbraw/zinc/79/45/72/183794572.db2.gz	DJULKQFLYFVDHD-UHFFFAOYSA-N	0	0	301.368	2.057	10	5		DEBERN
C[C@H]1CCC[C@@H](NS(=O)(=O)c2cc(N)ccc2[N+](=O)[O-])C1	ZINC000050653696	183795116	/nfs/dbraw/zinc/79/51/16/183795116.db2.gz	PPNSOWWQCSGDAI-GXSJLCMTSA-N	0	0	313.379	2.034	10	5		DEBERN
CCN(CCC(=O)OC)c1cc(OC)c(F)cc1[N+](=O)[O-]	ZINC000110625996	194343323	/nfs/dbraw/zinc/34/33/23/194343323.db2.gz	OONHUBLIHMNSOV-UHFFFAOYSA-N	0	0	300.286	2.132	10	5		DEBERN
O=C1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CN1	ZINC000111021636	194384430	/nfs/dbraw/zinc/38/44/30/194384430.db2.gz	RPABJDBVHQXAKO-SSDOTTSWSA-N	0	0	303.240	2.304	10	5		DEBERN
CNc1sc(S(=O)(=O)N[C@H](C)C(C)C)cc1[N+](=O)[O-]	ZINC000157556216	197195962	/nfs/dbraw/zinc/19/59/62/197195962.db2.gz	DTRDPIABFSCPSJ-SSDOTTSWSA-N	0	0	307.397	2.021	10	5		DEBERN
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCCCC1	ZINC000059766019	184141073	/nfs/dbraw/zinc/14/10/73/184141073.db2.gz	AABNRAGBMLRBKN-UHFFFAOYSA-N	0	0	311.725	2.199	10	5		DEBERN
[NH3+][C@@H](CCOc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000062595536	184244509	/nfs/dbraw/zinc/24/45/09/184244509.db2.gz	AQCTUNVULWWHOY-QMMMGPOBSA-N	0	0	309.105	2.082	10	5		DEBERN
Cc1csc(CCNC(=O)c2ccc(F)c([N+](=O)[O-])c2)n1	ZINC000063134684	184272781	/nfs/dbraw/zinc/27/27/81/184272781.db2.gz	ZPBYODNVPBOKEA-UHFFFAOYSA-N	0	0	309.322	2.471	10	5		DEBERN
CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])C1	ZINC000537136682	284984175	/nfs/dbraw/zinc/98/41/75/284984175.db2.gz	USWXTTONNPCKDE-BZNIZROVSA-N	0	0	319.361	2.031	10	5		DEBERN
O=C(Cn1ccc([N+](=O)[O-])n1)N1CC=C(c2cccs2)CC1	ZINC000117719350	194843425	/nfs/dbraw/zinc/84/34/25/194843425.db2.gz	NYDFLSFNXZJOFK-UHFFFAOYSA-N	0	0	318.358	2.169	10	5		DEBERN
CCNc1cc(Sc2n[nH]c(=O)n2CC)cc([N+](=O)[O-])c1	ZINC000158876861	197308239	/nfs/dbraw/zinc/30/82/39/197308239.db2.gz	XUMMYNLWNQDBSP-UHFFFAOYSA-N	0	0	309.351	2.083	10	5		DEBERN
O=[N+]([O-])c1ccccc1-c1nnc(I)o1	ZINC000157915793	197226528	/nfs/dbraw/zinc/22/65/28/197226528.db2.gz	MQVAYZTZHDUGME-UHFFFAOYSA-N	0	0	317.042	2.249	10	5		DEBERN
CC[C@H](C)N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(NC)s1	ZINC000157557442	197197586	/nfs/dbraw/zinc/19/75/86/197197586.db2.gz	UQNQWCQGXUGXFB-ZETCQYMHSA-N	0	0	307.397	2.117	10	5		DEBERN
CCNc1nnc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)s1	ZINC000157300909	197178604	/nfs/dbraw/zinc/17/86/04/197178604.db2.gz	SZZJDVMTJXBJBM-UHFFFAOYSA-N	0	0	307.335	2.155	10	5		DEBERN
O=[N+]([O-])c1cc(Br)cnc1NC1(CO)CCC1	ZINC000157256750	197174581	/nfs/dbraw/zinc/17/45/81/197174581.db2.gz	CKJIXZHUXWJQTK-UHFFFAOYSA-N	0	0	302.128	2.079	10	5		DEBERN
O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C/c1cocn1	ZINC000358648691	285209496	/nfs/dbraw/zinc/20/94/96/285209496.db2.gz	HTFUOLPUGMHHFQ-UITAMQMPSA-N	0	0	310.269	2.237	10	5		DEBERN
CC[C@H](NC(=O)c1cc[nH]c(=O)c1)c1cccc([N+](=O)[O-])c1	ZINC000152919690	196835141	/nfs/dbraw/zinc/83/51/41/196835141.db2.gz	UNMNDGQWUBGPNR-ZDUSSCGKSA-N	0	0	301.302	2.164	10	5		DEBERN
CCc1noc(C)c1NC(=O)COc1ccc([N+](=O)[O-])cc1	ZINC000120814836	195243580	/nfs/dbraw/zinc/24/35/80/195243580.db2.gz	RLGNBFUCBVKALE-UHFFFAOYSA-N	0	0	305.290	2.471	10	5		DEBERN
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCCC[C@H]1c1nccs1	ZINC000122000023	195388617	/nfs/dbraw/zinc/38/86/17/195388617.db2.gz	YCEIWULRELZBGS-QMMMGPOBSA-N	0	0	307.335	2.142	10	5		DEBERN
CCCCCS(=O)(=O)N1CCc2c(cccc2[N+](=O)[O-])C1	ZINC000544730194	285371093	/nfs/dbraw/zinc/37/10/93/285371093.db2.gz	CQQPAAKPUKDPQE-UHFFFAOYSA-N	0	0	312.391	2.473	10	5		DEBERN
Cc1[nH]nc2ncc(NC(=O)c3cc([N+](=O)[O-])cnc3C)cc12	ZINC000126350336	195832208	/nfs/dbraw/zinc/83/22/08/195832208.db2.gz	PJRRPNNDHOQTCA-UHFFFAOYSA-N	0	0	312.289	2.130	10	5		DEBERN
CSC(C)(C)CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	ZINC000125661122	195773861	/nfs/dbraw/zinc/77/38/61/195773861.db2.gz	DKAFVANZSDUHBK-UHFFFAOYSA-N	0	0	311.363	2.479	10	5		DEBERN
COC[C@](C)(NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(F)(F)F	ZINC000362203742	133216909	/nfs/dbraw/zinc/21/69/09/133216909.db2.gz	LBZVJCAQAIBWBA-NSHDSACASA-N	0	0	324.230	2.431	10	5		DEBERN
CC(C)c1nnc(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)s1	ZINC000262623528	145297122	/nfs/dbraw/zinc/29/71/22/145297122.db2.gz	DDXFIMZZZCXIMK-UHFFFAOYSA-N	0	0	321.362	2.082	10	5		DEBERN
O=C([O-])[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C(F)(F)F	ZINC000262969195	145314943	/nfs/dbraw/zinc/31/49/43/145314943.db2.gz	LQKZKGPDTVRBCT-NXEZZACHSA-N	0	0	318.251	2.290	10	5		DEBERN
C[C@@H](CCNc1ncnc2sc([N+](=O)[O-])cc21)[S@](C)=O	ZINC000312241962	145354529	/nfs/dbraw/zinc/35/45/29/145354529.db2.gz	GYYIPJJHZPQLQG-JKNYTWMOSA-N	0	0	314.392	2.169	10	5		DEBERN
CCOc1ccc(C(=O)N[C@H](CC)C(C)(C)O)cc1[N+](=O)[O-]	ZINC000358584289	147160258	/nfs/dbraw/zinc/16/02/58/147160258.db2.gz	ILOXJNAEFZLWFX-CYBMUJFWSA-N	0	0	310.350	2.273	10	5		DEBERN
CC(C)Cn1ccnc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000131068712	401843555	/nfs/dbraw/zinc/84/35/55/401843555.db2.gz	XVRXAHBWKJNPHO-UHFFFAOYSA-N	0	0	316.361	2.306	10	5		DEBERN
O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCc2n[nH]cc21	ZINC000133454330	401887064	/nfs/dbraw/zinc/88/70/64/401887064.db2.gz	RDULICONNQMRFG-ZDUSSCGKSA-N	0	0	314.345	2.097	10	5		DEBERN
C[C@H](CO)[C@H](C)Nc1ncc([N+](=O)[O-])cc1Br	ZINC000135764867	401952738	/nfs/dbraw/zinc/95/27/38/401952738.db2.gz	MNRPRXGOTQNHQN-RQJHMYQMSA-N	0	0	304.144	2.181	10	5		DEBERN
CCOC(=O)CC[C@@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1C	ZINC000089802869	401964617	/nfs/dbraw/zinc/96/46/17/401964617.db2.gz	SNHXZRVSRZXJFO-LLVKDONJSA-N	0	0	322.361	2.294	10	5		DEBERN
O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CCc2cc(Cl)ccc21	ZINC000055739350	402085683	/nfs/dbraw/zinc/08/56/83/402085683.db2.gz	ZXBDQWLPLJGANH-CYBMUJFWSA-N	0	0	320.736	2.248	10	5		DEBERN
CC(C)CSCCCNc1ncc([N+](=O)[O-])cc1C(N)=O	ZINC000153600011	402155588	/nfs/dbraw/zinc/15/55/88/402155588.db2.gz	MRCNXRMSJNQNHT-UHFFFAOYSA-N	0	0	312.395	2.280	10	5		DEBERN
CCc1nc2n(n1)C[C@H](Nc1ccc([N+](=O)[O-])c(C)c1)CC2	ZINC000108948577	402265023	/nfs/dbraw/zinc/26/50/23/402265023.db2.gz	MQALOGIWLPIOKC-GFCCVEGCSA-N	0	0	301.350	2.484	10	5		DEBERN
Cc1oc2ccccc2c1C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000185896465	402387013	/nfs/dbraw/zinc/38/70/13/402387013.db2.gz	AZIHORRJIQCTDW-UHFFFAOYSA-N	0	0	314.301	2.276	10	5		DEBERN
CCOCCN1CCN(c2cccc(OC)c2[N+](=O)[O-])C[C@@H]1C	ZINC000185365639	402347170	/nfs/dbraw/zinc/34/71/70/402347170.db2.gz	NUMRLHQBAYHMKI-ZDUSSCGKSA-N	0	0	323.393	2.150	10	5		DEBERN
C[C@H](C[NH+]1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000185411286	402351340	/nfs/dbraw/zinc/35/13/40/402351340.db2.gz	PTEXLVLYJXWHQY-GFCCVEGCSA-N	0	0	321.377	2.295	10	5		DEBERN
Cn1c(COc2cccnc2[N+](=O)[O-])nnc1-c1ccccc1	ZINC000160973814	402367860	/nfs/dbraw/zinc/36/78/60/402367860.db2.gz	MPJKEQSPVRTUMA-UHFFFAOYSA-N	0	0	311.301	2.364	10	5		DEBERN
Cc1nccn1C[C@H]1CCCN1C(=O)c1csc([N+](=O)[O-])c1	ZINC000177150247	402375948	/nfs/dbraw/zinc/37/59/48/402375948.db2.gz	YINQPVOEALTKFT-GFCCVEGCSA-N	0	0	320.374	2.466	10	5		DEBERN
O=[N+]([O-])c1ccc(NCCc2nc(-c3ccccc3)n[nH]2)nc1	ZINC000162143706	402410907	/nfs/dbraw/zinc/41/09/07/402410907.db2.gz	FKDVWVCRYSDDMW-UHFFFAOYSA-N	0	0	310.317	2.430	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCS[C@@H]2COCC[C@H]21	ZINC000162520016	402423045	/nfs/dbraw/zinc/42/30/45/402423045.db2.gz	YASLQZICUGZIQO-ZIAGYGMSSA-N	0	0	322.386	2.250	10	5		DEBERN
CC[C@@H](NC(=O)CCCNC(=O)OC)c1cccc([N+](=O)[O-])c1	ZINC000177792828	402436873	/nfs/dbraw/zinc/43/68/73/402436873.db2.gz	PMGDOBVHFRLCKD-CYBMUJFWSA-N	0	0	323.349	2.298	10	5		DEBERN
Cc1ccc(C(=O)N2CCC[C@H]2Cn2ccnc2)cc1[N+](=O)[O-]	ZINC000177797985	402437417	/nfs/dbraw/zinc/43/74/17/402437417.db2.gz	WADKCAVCGFFMEB-AWEZNQCLSA-N	0	0	314.345	2.405	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](Oc2ccccn2)C1	ZINC000238822078	402440529	/nfs/dbraw/zinc/44/05/29/402440529.db2.gz	CWQHMEVVCOSELK-CQSZACIVSA-N	0	0	313.313	2.283	10	5		DEBERN
O=C(c1ccccc1[N+](=O)[O-])N1CC[C@H](Oc2ccccn2)C1	ZINC000238965963	402441019	/nfs/dbraw/zinc/44/10/19/402441019.db2.gz	YYJOAJXPKGTBRK-LBPRGKRZSA-N	0	0	313.313	2.283	10	5		DEBERN
O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000178336454	402486165	/nfs/dbraw/zinc/48/61/65/402486165.db2.gz	BQUXYYHRUBDCJJ-RISCZKNCSA-N	0	0	310.375	2.424	10	5		DEBERN
Cc1nn(C)c(C(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)c1[N+](=O)[O-]	ZINC000246858828	402547168	/nfs/dbraw/zinc/54/71/68/402547168.db2.gz	IFIBESVHZOPKOX-YUSALJHKSA-N	0	0	306.366	2.430	10	5		DEBERN
CC(C)[C@H](O)CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1	ZINC000178959795	402559579	/nfs/dbraw/zinc/55/95/79/402559579.db2.gz	RRMORHJCZLEBRP-OAHLLOKOSA-N	0	0	308.378	2.441	10	5		DEBERN
CCc1cnc(CCNC(=O)c2c(N)cccc2[N+](=O)[O-])s1	ZINC000180823890	402627040	/nfs/dbraw/zinc/62/70/40/402627040.db2.gz	BAVSHHQUQQOJDS-UHFFFAOYSA-N	0	0	320.374	2.168	10	5		DEBERN
C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCS1	ZINC000171572800	402596391	/nfs/dbraw/zinc/59/63/91/402596391.db2.gz	LXVFUNDWGXRKJB-QMMMGPOBSA-N	0	0	311.319	2.081	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1CN1CC(=O)N[C@@H]2CCCC[C@H]21	ZINC000248646519	402601236	/nfs/dbraw/zinc/60/12/36/402601236.db2.gz	SQHHDOWCNIANMV-HUUCEWRRSA-N	0	0	303.362	2.146	10	5		DEBERN
CC(C)[C@H](C)CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000172446716	402656760	/nfs/dbraw/zinc/65/67/60/402656760.db2.gz	YKHJGTUMYQTYDQ-LLVKDONJSA-N	0	0	317.349	2.197	10	5		DEBERN
Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])s1	ZINC000173478589	402699462	/nfs/dbraw/zinc/69/94/62/402699462.db2.gz	YUXSCAHLLATXNJ-QMMMGPOBSA-N	0	0	322.390	2.368	10	5		DEBERN
C[C@@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCCO1	ZINC000183120381	402740520	/nfs/dbraw/zinc/74/05/20/402740520.db2.gz	LKQMMIWHROCUNH-MFKMUULPSA-N	0	0	318.333	2.302	10	5		DEBERN
CC(C)OC[C@@H](O)Cn1cnc2cc3ccccc3cc2c1=O	ZINC000192893415	402755477	/nfs/dbraw/zinc/75/54/77/402755477.db2.gz	OLCUWZUCUQJVQQ-HNNXBMFYSA-N	0	0	312.369	2.336	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCC[C@@H]1O	ZINC000183338247	402758201	/nfs/dbraw/zinc/75/82/01/402758201.db2.gz	JNMUGIYSQUUULG-BWLFODOESA-N	0	0	304.346	2.418	10	5		DEBERN
CCOc1cccc(NC[C@@]2(CCO)CCOC2)c1[N+](=O)[O-]	ZINC000184136193	402821155	/nfs/dbraw/zinc/82/11/55/402821155.db2.gz	NQNGYXBVHHKQLT-OAHLLOKOSA-N	0	0	310.350	2.195	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])cc1F)N1CCN2CCCC[C@@H]2C1	ZINC000195050179	402828982	/nfs/dbraw/zinc/82/89/82/402828982.db2.gz	JWKDUINKRUPQHB-GFCCVEGCSA-N	0	0	307.325	2.044	10	5		DEBERN
O=[N+]([O-])c1ccc2c(c1N1C[C@H]3CCC[C@@H](C1)C3O)CCN2	ZINC000195264684	402839500	/nfs/dbraw/zinc/83/95/00/402839500.db2.gz	LFWFBRGWDRZBJZ-SOSAQKQKSA-N	0	0	303.362	2.160	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1	ZINC000268039962	403043893	/nfs/dbraw/zinc/04/38/93/403043893.db2.gz	NZXCHTOKPQICJL-BBRMVZONSA-N	0	0	305.378	2.060	10	5		DEBERN
CC(=O)c1ccc(N[C@H](CO)C[C@H](O)C(C)(C)C)c([N+](=O)[O-])c1	ZINC000286301945	403493928	/nfs/dbraw/zinc/49/39/28/403493928.db2.gz	DRZZSBHRHJLCPV-WFASDCNBSA-N	0	0	324.377	2.367	10	5		DEBERN
Nc1nc(N2CC=C(c3cccs3)CC2)ncc1[N+](=O)[O-]	ZINC000301299648	403612685	/nfs/dbraw/zinc/61/26/85/403612685.db2.gz	UHOVKUACAMPMME-UHFFFAOYSA-N	0	0	303.347	2.322	10	5		DEBERN
C[C@@H]1[C@@H](O)CCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21	ZINC000296283506	404178009	/nfs/dbraw/zinc/17/80/09/404178009.db2.gz	ZAONAICGZXCWSN-OTYXRUKQSA-N	0	0	303.318	2.062	10	5		DEBERN
Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H]1[C@H]1CCCC[C@@]1(C)O	ZINC000408034284	405093227	/nfs/dbraw/zinc/09/32/27/405093227.db2.gz	DNEWGUMLPUBGGK-LALPHHSUSA-N	0	0	308.382	2.238	10	5		DEBERN
Cc1ccc(S(=O)(=O)N2CCS[C@@H](C)C2)c([N+](=O)[O-])c1	ZINC000408068642	405104927	/nfs/dbraw/zinc/10/49/27/405104927.db2.gz	XFOUBFGTZVBARK-JTQLQIEISA-N	0	0	316.404	2.029	10	5		DEBERN
Cc1cc(CN(C)c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)no1	ZINC000439100906	405266024	/nfs/dbraw/zinc/26/60/24/405266024.db2.gz	VEWHPMGCQQKGLU-UHFFFAOYSA-N	0	0	315.289	2.176	10	5		DEBERN
O=C(c1ccnnc1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1	ZINC000452856755	405251840	/nfs/dbraw/zinc/25/18/40/405251840.db2.gz	QGHDDGOGFKSDQS-AWEZNQCLSA-N	0	0	312.329	2.405	10	5		DEBERN
CCOc1ccc(C(=O)N2CC[C@H](OC)[C@@H](C)C2)cc1[N+](=O)[O-]	ZINC000456133273	405510384	/nfs/dbraw/zinc/51/03/84/405510384.db2.gz	FOVSWJJQJINYNW-FZMZJTMJSA-N	0	0	322.361	2.491	10	5		DEBERN
CCNc1cccc(C(=O)Nc2nc(C)ns2)c1[N+](=O)[O-]	ZINC000128729198	195987079	/nfs/dbraw/zinc/98/70/79/195987079.db2.gz	UGFJTOYWNHBHQV-UHFFFAOYSA-N	0	0	307.335	2.439	10	5		DEBERN
C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)CC[C@@H]1C	ZINC000129761249	196074084	/nfs/dbraw/zinc/07/40/84/196074084.db2.gz	BBXJGEZVDDEBTL-UWVGGRQHSA-N	0	0	316.354	2.401	10	5		DEBERN
C[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131221681	196151430	/nfs/dbraw/zinc/15/14/30/196151430.db2.gz	LDACBLWCMWKRQI-LDYMZIIASA-N	0	0	302.327	2.201	10	5		DEBERN
C[C@H](CC1CC1)NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131230196	196152050	/nfs/dbraw/zinc/15/20/50/196152050.db2.gz	MJJCCIWJUWYEHF-MRVPVSSYSA-N	0	0	302.327	2.201	10	5		DEBERN
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCc2ccoc2)c1	ZINC000132502893	196260551	/nfs/dbraw/zinc/26/05/51/196260551.db2.gz	XLIUNIBJGIFPFC-UHFFFAOYSA-N	0	0	316.722	2.320	10	5		DEBERN
CNc1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2C)ccc1[N+](=O)[O-]	ZINC000132595014	196268757	/nfs/dbraw/zinc/26/87/57/196268757.db2.gz	ZRWJEEYCTZJXBS-MWLCHTKSSA-N	0	0	313.379	2.103	10	5		DEBERN
Cc1c(F)cc(S(=O)(=O)N[C@H](C)C(C)C)cc1[N+](=O)[O-]	ZINC000132613689	196270936	/nfs/dbraw/zinc/27/09/36/196270936.db2.gz	GLGJSFKDBVHMAM-SECBINFHSA-N	0	0	304.343	2.365	10	5		DEBERN
CC[C@@H](C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1	ZINC000132858078	196291065	/nfs/dbraw/zinc/29/10/65/196291065.db2.gz	IVVHXFAZFSRYKE-NXEZZACHSA-N	0	0	315.395	2.280	10	5		DEBERN
COC(=O)[C@H]1CCCN(c2c(F)c(F)ccc2[N+](=O)[O-])C1	ZINC000133949527	196348841	/nfs/dbraw/zinc/34/88/41/196348841.db2.gz	YFSMMZNOWJXVJJ-QMMMGPOBSA-N	0	0	300.261	2.262	10	5		DEBERN
COC(=O)N[C@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1	ZINC000133986352	196352274	/nfs/dbraw/zinc/35/22/74/196352274.db2.gz	WVGUGELKZFWTJD-JTQLQIEISA-N	0	0	313.741	2.179	10	5		DEBERN
COCCONCc1ccc(Br)c([N+](=O)[O-])c1	ZINC000134096988	196360683	/nfs/dbraw/zinc/36/06/83/196360683.db2.gz	CGCLNKICGADJCX-UHFFFAOYSA-N	0	0	305.128	2.025	10	5		DEBERN
C[C@@H](CO)[C@@H](C)Nc1ncc([N+](=O)[O-])cc1Br	ZINC000135764765	196503106	/nfs/dbraw/zinc/50/31/06/196503106.db2.gz	MNRPRXGOTQNHQN-NKWVEPMBSA-N	0	0	304.144	2.181	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)n1	ZINC000191578682	225113181	/nfs/dbraw/zinc/11/31/81/225113181.db2.gz	IUYMBGJOSMPNIG-NWDGAFQWSA-N	0	0	318.308	2.236	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCCCSCC(C)C)n1	ZINC000191688527	225114968	/nfs/dbraw/zinc/11/49/68/225114968.db2.gz	IMIJHBVHNBXVCT-UHFFFAOYSA-N	0	0	314.411	2.320	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCCCOC2CCCCC2)n1	ZINC000191759355	225115954	/nfs/dbraw/zinc/11/59/54/225115954.db2.gz	AXRDLFPIOZVEQE-UHFFFAOYSA-N	0	0	324.381	2.280	10	5		DEBERN
COc1cccc(C(=O)NCCCc2ccccn2)c1[N+](=O)[O-]	ZINC000192799768	225142824	/nfs/dbraw/zinc/14/28/24/225142824.db2.gz	YOOAPUOSCZDGGV-UHFFFAOYSA-N	0	0	315.329	2.361	10	5		DEBERN
Cc1ccn2c(c1)nnc2NC(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000088254034	418492472	/nfs/dbraw/zinc/49/24/72/418492472.db2.gz	HFWSRKUFDGMBDX-UHFFFAOYSA-N	0	0	311.301	2.127	10	5		DEBERN
C[C@@H]1CC[C@H](C)N(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1	ZINC000175192228	424863353	/nfs/dbraw/zinc/86/33/53/424863353.db2.gz	ZTVPTCXMWRDHLH-NEPJUHHUSA-N	0	0	320.345	2.433	10	5		DEBERN
CCOc1cccc(N2CCN(CCOC)[C@@H](C)C2)c1[N+](=O)[O-]	ZINC000248446143	276381120	/nfs/dbraw/zinc/38/11/20/276381120.db2.gz	CKLNVTSCIZHRMS-ZDUSSCGKSA-N	0	0	323.393	2.150	10	5		DEBERN
CC1(C)CC[C@](N)(C(F)(F)CO)c2cc([N+](=O)[O-])ccc21	ZINC000095642911	278285132	/nfs/dbraw/zinc/28/51/32/278285132.db2.gz	GYBWLSUQKNTQJI-CYBMUJFWSA-N	0	0	300.305	2.448	10	5		DEBERN
C[C@H](O)C1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1	ZINC000110600090	279557569	/nfs/dbraw/zinc/55/75/69/279557569.db2.gz	SIPRJABMLAVVHH-JTQLQIEISA-N	0	0	319.361	2.077	10	5		DEBERN
C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)C[C@H](C)O1	ZINC000267288550	279890680	/nfs/dbraw/zinc/89/06/80/279890680.db2.gz	XDHGQMYANAPRCC-YUMQZZPRSA-N	0	0	316.155	2.366	10	5		DEBERN
Cc1nc(C[C@@H]2CCCN(c3ncccc3[N+](=O)[O-])C2)no1	ZINC000299624008	293276977	/nfs/dbraw/zinc/27/69/77/293276977.db2.gz	RAHDBJVZRIIYBT-NSHDSACASA-N	0	0	303.322	2.140	10	5		DEBERN
C[C@H]1CC[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC000173205894	300060659	/nfs/dbraw/zinc/06/06/59/300060659.db2.gz	MEDBUUUIYIOMRG-IUCAKERBSA-N	0	0	304.393	2.465	10	5		DEBERN
O=[N+]([O-])c1ccc(NCc2cnn(CC(F)(F)F)c2)cn1	ZINC000583474994	333363456	/nfs/dbraw/zinc/36/34/56/333363456.db2.gz	CYWRVRMLSFVEPR-UHFFFAOYSA-N	0	0	301.228	2.361	10	5		DEBERN
CCOC(=O)c1[nH]c(C)nc1NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000582516689	337099987	/nfs/dbraw/zinc/09/99/87/337099987.db2.gz	LCJUAXZDRBYXNK-UHFFFAOYSA-N	0	0	318.289	2.055	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC1(CCO)CC1	ZINC000189101689	534321741	/nfs/dbraw/zinc/32/17/41/534321741.db2.gz	BNGSZTMHUZDWIW-UHFFFAOYSA-N	0	0	307.350	2.496	10	5		DEBERN
COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H]1C	ZINC000132236905	521781583	/nfs/dbraw/zinc/78/15/83/521781583.db2.gz	RHUUFYFITZFABA-SKDRFNHKSA-N	0	0	310.375	2.472	10	5		DEBERN
O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1C[C@@H]1C1CCCCC1	ZINC000122459513	526469222	/nfs/dbraw/zinc/46/92/22/526469222.db2.gz	HANYFRHAJBXXCW-KGLIPLIRSA-N	0	0	306.366	2.124	10	5		DEBERN
CCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])[C@@H](C)c1cccnc1	ZINC000191617979	529105257	/nfs/dbraw/zinc/10/52/57/529105257.db2.gz	YQXITJCSOTXGDL-NSHDSACASA-N	0	0	317.349	2.430	10	5		DEBERN
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccn(C)n1	ZINC000360785103	536135486	/nfs/dbraw/zinc/13/54/86/536135486.db2.gz	GFDOWMHNMIRZCU-CYBMUJFWSA-N	0	0	316.361	2.213	10	5		DEBERN
COc1cc(C(=O)N[C@H]2COc3ccccc32)ccc1[N+](=O)[O-]	ZINC000195338239	536522626	/nfs/dbraw/zinc/52/26/26/536522626.db2.gz	SDQSEKUNESZNRL-LBPRGKRZSA-N	0	0	314.297	2.467	10	5		DEBERN
Cc1cc(F)cc(C(=O)N2CCN3CCCC[C@H]3C2)c1[N+](=O)[O-]	ZINC000177028681	625607366	/nfs/dbraw/zinc/60/73/66/625607366.db2.gz	DWVSEVRKLLTYCK-ZDUSSCGKSA-N	0	0	321.352	2.353	10	5		DEBERN
CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1cscn1	ZINC000050408414	623973456	/nfs/dbraw/zinc/97/34/56/623973456.db2.gz	YWSJOUBLYHSHEJ-UHFFFAOYSA-N	0	0	306.347	2.047	10	5		DEBERN
O=C(NCC[C@H]1CCCO1)c1cc(F)c(F)cc1[N+](=O)[O-]	ZINC000050037768	624924671	/nfs/dbraw/zinc/92/46/71/624924671.db2.gz	NDXSXZANZGYYFF-MRVPVSSYSA-N	0	0	300.261	2.172	10	5		DEBERN
C[C@H]1CN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C[C@H](C)O1	ZINC000050697670	624933741	/nfs/dbraw/zinc/93/37/41/624933741.db2.gz	YYDXXQLSXDUIQO-YUMQZZPRSA-N	0	0	313.741	2.080	10	5		DEBERN
C/C(=C/C(=O)N1CCN(C2CC2)CC1)c1ccc([N+](=O)[O-])cc1	ZINC000751673147	639104950	/nfs/dbraw/zinc/10/49/50/639104950.db2.gz	YWIAATHKLBJCAT-SEYXRHQNSA-N	0	0	315.373	2.305	10	5		DEBERN
C/C(=C\C(=O)NCc1nccn1C)c1ccc([N+](=O)[O-])cc1	ZINC000751984487	639143510	/nfs/dbraw/zinc/14/35/10/639143510.db2.gz	GPORTJPYDWEBNL-PKNBQFBNSA-N	0	0	300.318	2.048	10	5		DEBERN
C/C(=C\C(=O)N1CCC(CO)CC1)c1ccc([N+](=O)[O-])cc1	ZINC000752619316	639203000	/nfs/dbraw/zinc/20/30/00/639203000.db2.gz	RGDFOVZVUBWKIO-ZRDIBKRKSA-N	0	0	304.346	2.229	10	5		DEBERN
CC(=CC(=O)NCc1cccc(=O)[nH]1)c1ccc([N+](=O)[O-])cc1	ZINC000752738631	639214520	/nfs/dbraw/zinc/21/45/20/639214520.db2.gz	IEEWCPQQWPXNFV-PKNBQFBNSA-N	0	0	313.313	2.415	10	5		DEBERN
CC(=O)c1cnc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)s1	ZINC000801902204	645459419	/nfs/dbraw/zinc/45/94/19/645459419.db2.gz	DBXBWZZDXDJVJA-UHFFFAOYSA-N	0	0	324.293	2.228	10	5		DEBERN
C/C(=C/C(=O)OCc1ccc[n+]([O-])c1)c1ccc([N+](=O)[O-])cc1	ZINC000802179425	645493664	/nfs/dbraw/zinc/49/36/64/645493664.db2.gz	BFDTTYUVEWRWDU-XFXZXTDPSA-N	0	0	314.297	2.375	10	5		DEBERN
COC(=O)/C(C)=C\COC(=O)c1cc([N+](=O)[O-])cc(C)c1F	ZINC000803461976	645657337	/nfs/dbraw/zinc/65/73/37/645657337.db2.gz	CHQUOQLHWNMHCA-YWEYNIOJSA-N	0	0	311.265	2.318	10	5		DEBERN
Cc1nn(C)cc1NC(=O)CCOc1ccccc1[N+](=O)[O-]	ZINC000172762744	646749015	/nfs/dbraw/zinc/74/90/15/646749015.db2.gz	MOLTXOOARDPKTO-UHFFFAOYSA-N	0	0	304.306	2.044	10	5		DEBERN
CC[C@@H](Cc1ccccc1)OC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000174546442	646814992	/nfs/dbraw/zinc/81/49/92/646814992.db2.gz	BMVFFUMTBXJSPS-ZDUSSCGKSA-N	0	0	303.318	2.356	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)C1=COCCC1	ZINC000730851321	647419849	/nfs/dbraw/zinc/41/98/49/647419849.db2.gz	VZZKGWTULNRMBC-UHFFFAOYSA-N	0	0	320.301	2.079	10	5		DEBERN
C[C@H](OCC1CC1)C(=O)OCCN(C)c1ccc([N+](=O)[O-])cc1	ZINC000064714117	648353956	/nfs/dbraw/zinc/35/39/56/648353956.db2.gz	COIHKFXJJUVIEB-LBPRGKRZSA-N	0	0	322.361	2.389	10	5		DEBERN
C[C@H]1C[C@H]1COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000067901922	648374445	/nfs/dbraw/zinc/37/44/45/648374445.db2.gz	UYTFVCGRLXOBGI-RYUDHWBXSA-N	0	0	320.345	2.244	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)OCCN1CCCCC1=O	ZINC000107026014	651408405	/nfs/dbraw/zinc/40/84/05/651408405.db2.gz	GBUTVKQNLANNIU-UHFFFAOYSA-N	0	0	306.318	2.073	10	5		DEBERN
CC(=O)c1ccc(OCCCCS(C)(=O)=O)c([N+](=O)[O-])c1	ZINC000119159426	684077413	/nfs/dbraw/zinc/07/74/13/684077413.db2.gz	LDJMDPVIYICFFW-UHFFFAOYSA-N	0	0	315.347	2.001	10	5		DEBERN
Cc1nn(CN2CCC([C@H](C)O)CC2)c2cc([N+](=O)[O-])ccc12	ZINC000121209509	684106601	/nfs/dbraw/zinc/10/66/01/684106601.db2.gz	AOGJKQGCAFAPPF-LBPRGKRZSA-N	0	0	318.377	2.303	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(CCOc2cccc([N+](=O)[O-])c2)c1=O	ZINC000127258543	684161694	/nfs/dbraw/zinc/16/16/94/684161694.db2.gz	MQIJVCMINNFNSY-UHFFFAOYSA-N	0	0	319.273	2.052	10	5		DEBERN
C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@@H](C)O1	ZINC000193508881	685042363	/nfs/dbraw/zinc/04/23/63/685042363.db2.gz	IXNGLFQBCWUEBA-NXEZZACHSA-N	0	0	305.334	2.093	10	5		DEBERN
CC(C)c1nc([C@H]2CCCN2Cn2cc([N+](=O)[O-])cn2)no1	ZINC000195298561	685093431	/nfs/dbraw/zinc/09/34/31/685093431.db2.gz	MRHDCMARQGYZIC-LLVKDONJSA-N	0	0	306.326	2.092	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccccc1	ZINC000195405895	685097175	/nfs/dbraw/zinc/09/71/75/685097175.db2.gz	CBSYKMASVUOCBF-UHFFFAOYSA-N	0	0	315.285	2.094	10	5		DEBERN
Cc1ccc(NCC(C)(C)CS(C)(=O)=O)c([N+](=O)[O-])c1	ZINC000723851539	777188381	/nfs/dbraw/zinc/18/83/81/777188381.db2.gz	FUDIKKPRHBYAAG-UHFFFAOYSA-N	0	0	300.380	2.386	10	5		DEBERN
Cc1cccc([N+](=O)[O-])c1NCC(C)(C)CS(C)(=O)=O	ZINC000723851881	777188474	/nfs/dbraw/zinc/18/84/74/777188474.db2.gz	LPXVWSHZNMHGKS-UHFFFAOYSA-N	0	0	300.380	2.386	10	5		DEBERN
Nc1c(Cl)cc(C(=O)NCc2ccncc2)cc1[N+](=O)[O-]	ZINC000050696297	1078475266	/nfs/dbraw/zinc/47/52/66/1078475266.db2.gz	ROACDJJBAZMCBS-UHFFFAOYSA-N	0	0	306.709	2.155	10	5		DEBERN
C[C@H]1CCOCCN1C(=O)c1cc(F)c([N+](=O)[O-])cc1F	ZINC000375004999	290604331	/nfs/dbraw/zinc/60/43/31/290604331.db2.gz	LQKGMIZJFZBSSE-QMMMGPOBSA-N	0	0	300.261	2.124	10	5		DEBERN
Cc1c(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2C)cccc1[N+](=O)[O-]	ZINC000076728623	185036243	/nfs/dbraw/zinc/03/62/43/185036243.db2.gz	GEGMJXGRQVXYQC-GHMZBOCLSA-N	0	0	319.361	2.489	10	5		DEBERN
O=[N+]([O-])c1nccc(OC2CC2)c1I	ZINC000095735943	185383873	/nfs/dbraw/zinc/38/38/73/185383873.db2.gz	PYLXOMAIQPXVHZ-UHFFFAOYSA-N	0	0	306.059	2.136	10	5		DEBERN
Cc1ccc(C)c(NC(=O)Cn2cc([N+](=O)[O-])cc(C)c2=O)c1	ZINC000096778129	185387179	/nfs/dbraw/zinc/38/71/79/185387179.db2.gz	BEFHYLRFFJKAPE-UHFFFAOYSA-N	0	0	315.329	2.320	10	5		DEBERN
COC(=O)C[C@H](C)SCC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000078814338	185114116	/nfs/dbraw/zinc/11/41/16/185114116.db2.gz	KMERMJIFZFOBNR-VIFPVBQESA-N	0	0	312.347	2.218	10	5		DEBERN
CC(=O)c1cnc(NC(=O)c2cccc([N+](=O)[O-])c2N)s1	ZINC000176752077	282200696	/nfs/dbraw/zinc/20/06/96/282200696.db2.gz	DEKPIRSPGLEOLO-UHFFFAOYSA-N	0	0	306.303	2.088	10	5		DEBERN
O=C(Nc1cnc(Br)cn1)c1ccccc1[N+](=O)[O-]	ZINC000088448126	185251370	/nfs/dbraw/zinc/25/13/70/185251370.db2.gz	LVJRBRKRVKDVII-UHFFFAOYSA-N	0	0	323.106	2.400	10	5		DEBERN
COCCCOC1CN(c2ccc(Cl)cc2[N+](=O)[O-])C1	ZINC000190880679	282326421	/nfs/dbraw/zinc/32/64/21/282326421.db2.gz	HKBDBHZWFOIQFI-UHFFFAOYSA-N	0	0	300.742	2.490	10	5		DEBERN
CNc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1[N+](=O)[O-]	ZINC000050636847	190680072	/nfs/dbraw/zinc/68/00/72/190680072.db2.gz	BMXXYRSBSGXZHH-JTQLQIEISA-N	0	0	313.379	2.200	10	5		DEBERN
O=Cc1cc([N+](=O)[O-])ccc1Sc1ncnc2[nH]cnc21	ZINC000111526358	185610356	/nfs/dbraw/zinc/61/03/56/185610356.db2.gz	OFQHEMLPPJHIIW-UHFFFAOYSA-N	0	0	301.287	2.225	10	5		DEBERN
CCCCN(C1CC1)S(=O)(=O)c1cccc(N)c1[N+](=O)[O-]	ZINC000126947951	185906992	/nfs/dbraw/zinc/90/69/92/185906992.db2.gz	NVPLGJDWBRRYLC-UHFFFAOYSA-N	0	0	313.379	2.130	10	5		DEBERN
CNc1sc(S(=O)(=O)N[C@H](C)C2CCC2)cc1[N+](=O)[O-]	ZINC000138104609	186014544	/nfs/dbraw/zinc/01/45/44/186014544.db2.gz	ZDNAXEHGBCVTGF-SSDOTTSWSA-N	0	0	319.408	2.165	10	5		DEBERN
CNc1cccc(S(=O)(=O)N[C@H](C)C2CCC2)c1[N+](=O)[O-]	ZINC000138105343	186014382	/nfs/dbraw/zinc/01/43/82/186014382.db2.gz	QUEHPYBKAFCXAN-SECBINFHSA-N	0	0	313.379	2.103	10	5		DEBERN
O=C(Nc1ccc(CO)cc1)c1ccnc(Cl)c1[N+](=O)[O-]	ZINC000139164184	186020349	/nfs/dbraw/zinc/02/03/49/186020349.db2.gz	JEAGGAWHMQUTSN-UHFFFAOYSA-N	0	0	307.693	2.388	10	5		DEBERN
O=C(Nc1ccc([N+](=O)[O-])c(F)c1)c1nnc(Cl)s1	ZINC000148940840	186047446	/nfs/dbraw/zinc/04/74/46/186047446.db2.gz	JZDILTIATQNPQK-UHFFFAOYSA-N	0	0	302.674	2.491	10	5		DEBERN
CNc1ncnc(OCC(F)(F)C(F)(F)F)c1[N+](=O)[O-]	ZINC000149291110	186049144	/nfs/dbraw/zinc/04/91/44/186049144.db2.gz	PDMYLNFTXQNZDY-UHFFFAOYSA-N	0	0	302.159	2.003	10	5		DEBERN
O=C1COc2cc([N+](=O)[O-])c(NC[C@H]3CCCS3)cc2N1	ZINC000150089628	186054454	/nfs/dbraw/zinc/05/44/54/186054454.db2.gz	JWIRQVCGHSBJMV-MRVPVSSYSA-N	0	0	309.347	2.233	10	5		DEBERN
CCCOc1nc(N)nc(Sc2ccc([N+](=O)[O-])cc2)n1	ZINC000150188456	186055371	/nfs/dbraw/zinc/05/53/71/186055371.db2.gz	MPJYYESHHGOTSG-UHFFFAOYSA-N	0	0	307.335	2.302	10	5		DEBERN
CCNc1cc(N[C@@H]2CCCS(=O)(=O)C2)cc([N+](=O)[O-])c1	ZINC000155786896	186112597	/nfs/dbraw/zinc/11/25/97/186112597.db2.gz	KDBFCBLPAQLYSV-SNVBAGLBSA-N	0	0	313.379	2.016	10	5		DEBERN
C[C@H]1CC[C@@H](C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)O1	ZINC000159685344	186135168	/nfs/dbraw/zinc/13/51/68/186135168.db2.gz	ARWJDABCIJIOFY-ZANVPECISA-N	0	0	316.317	2.491	10	5		DEBERN
Cc1nn(CCC(=O)N[C@H](C)C2CCCC2)c(C)c1[N+](=O)[O-]	ZINC000172104064	198040422	/nfs/dbraw/zinc/04/04/22/198040422.db2.gz	ZXHXPHOIWZEWFC-SNVBAGLBSA-N	0	0	308.382	2.493	10	5		DEBERN
CCc1ccc(C(=O)NCCn2cc(C)cn2)cc1[N+](=O)[O-]	ZINC000174249053	198310014	/nfs/dbraw/zinc/31/00/14/198310014.db2.gz	JONOELFSSFIAKL-UHFFFAOYSA-N	0	0	302.334	2.092	10	5		DEBERN
COC(=O)CCCCCNC(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000056458988	354532942	/nfs/dbraw/zinc/53/29/42/354532942.db2.gz	GRGDCAIEHFSPMP-UHFFFAOYSA-N	0	0	323.349	2.127	10	5		DEBERN
O=C(NCCO)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	ZINC000091483554	355599184	/nfs/dbraw/zinc/59/91/84/355599184.db2.gz	QVSLTLYMIYQGPN-UHFFFAOYSA-N	0	0	302.286	2.109	10	5		DEBERN
O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cccc2c1OCCC2	ZINC000370488614	283124640	/nfs/dbraw/zinc/12/46/40/283124640.db2.gz	QKWMCXINWBVUIZ-UHFFFAOYSA-N	0	0	316.317	2.145	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](NC(=O)C(C)C)C2)n1	ZINC000123923084	355807005	/nfs/dbraw/zinc/80/70/05/355807005.db2.gz	IUHGBDPBUKCCNV-LBPRGKRZSA-N	0	0	306.366	2.039	10	5		DEBERN
O=C1CC[C@H](CNc2ccc([N+](=O)[O-])cc2Br)N1	ZINC000079932637	191985437	/nfs/dbraw/zinc/98/54/37/191985437.db2.gz	AHQYUCUWLSATJG-SSDOTTSWSA-N	0	0	314.139	2.048	10	5		DEBERN
Cc1ccc([C@H](C)NCc2nnnn2C(C)C)cc1[N+](=O)[O-]	ZINC000181841488	356098301	/nfs/dbraw/zinc/09/83/01/356098301.db2.gz	HPOOUMOQUZIBPM-NSHDSACASA-N	0	0	304.354	2.321	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCc2cc3ccccc3o2)n1	ZINC000191538829	356219039	/nfs/dbraw/zinc/21/90/39/356219039.db2.gz	SLLOITFCDMVYCY-UHFFFAOYSA-N	0	0	314.301	2.487	10	5		DEBERN
Cc1ccc(C(=O)NCc2ccc(CO)c(F)c2)cc1[N+](=O)[O-]	ZINC000194216227	356235844	/nfs/dbraw/zinc/23/58/44/356235844.db2.gz	WMPGSOJTEMNRRT-UHFFFAOYSA-N	0	0	318.304	2.465	10	5		DEBERN
Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000081582609	192297163	/nfs/dbraw/zinc/29/71/63/192297163.db2.gz	BZIAWKAZGFWRHO-ZDUSSCGKSA-N	0	0	315.333	2.068	10	5		DEBERN
CCN(C[C@H]1CCCO1)C(=O)c1ccnc(Cl)c1[N+](=O)[O-]	ZINC000085684887	192520768	/nfs/dbraw/zinc/52/07/68/192520768.db2.gz	VOPPFAUTIVNRPM-SECBINFHSA-N	0	0	313.741	2.284	10	5		DEBERN
CN(C(=O)Cn1ccc([N+](=O)[O-])n1)C(C)(C)c1ccccc1	ZINC000585810174	357360908	/nfs/dbraw/zinc/36/09/08/357360908.db2.gz	RCSIRJZVRHCEOJ-UHFFFAOYSA-N	0	0	302.334	2.185	10	5		DEBERN
CCCCCN(CC(N)=O)C(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000180342315	199148070	/nfs/dbraw/zinc/14/80/70/199148070.db2.gz	UTEGLTFIIATQRF-UHFFFAOYSA-N	0	0	307.350	2.021	10	5		DEBERN
CCCCCN(CC(N)=O)C(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000180781757	199207641	/nfs/dbraw/zinc/20/76/41/199207641.db2.gz	CRXUPDHCVWLAIO-UHFFFAOYSA-N	0	0	313.379	2.082	10	5		DEBERN
CO[C@@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[C@H]1C	ZINC000187422344	200110289	/nfs/dbraw/zinc/11/02/89/200110289.db2.gz	GDUFCFZPQFFSCR-IUODEOHRSA-N	0	0	321.377	2.204	10	5		DEBERN
CC(=O)N1C[C@@H]2CCC[C@@H](Nc3ncc(F)cc3[N+](=O)[O-])[C@@H]2C1	ZINC000601165835	359949305	/nfs/dbraw/zinc/94/93/05/359949305.db2.gz	IWBNZQWLTBFGAK-CYZMBNFOSA-N	0	0	322.340	2.188	10	5		DEBERN
COC(=O)[C@@H](C)N(C(=O)c1ccc([N+](=O)[O-])cc1C)C1CCC1	ZINC000190432965	200535623	/nfs/dbraw/zinc/53/56/23/200535623.db2.gz	NRWHJTXRZUDAJR-LLVKDONJSA-N	0	0	320.345	2.459	10	5		DEBERN
C[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccncc1	ZINC000610516836	361415111	/nfs/dbraw/zinc/41/51/11/361415111.db2.gz	DKBQKANELJDUJL-JTQLQIEISA-N	0	0	300.318	2.304	10	5		DEBERN
C[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccncc1	ZINC000610526461	361417074	/nfs/dbraw/zinc/41/70/74/361417074.db2.gz	SKEVBGHCQZGYIA-LBPRGKRZSA-N	0	0	315.329	2.289	10	5		DEBERN
O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1CCC[C@H](O)C1	ZINC000610769549	361463767	/nfs/dbraw/zinc/46/37/67/361463767.db2.gz	NDBSOYUMKRCXFZ-BDAKNGLRSA-N	0	0	316.155	2.468	10	5		DEBERN
CCC1(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)CCC1	ZINC000194698474	201273758	/nfs/dbraw/zinc/27/37/58/201273758.db2.gz	UYRWWWDTRVQDGL-UHFFFAOYSA-N	0	0	305.334	2.291	10	5		DEBERN
O=C(NC1CC([NH+]2CCCCC2)C1)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000619451608	363800399	/nfs/dbraw/zinc/80/03/99/363800399.db2.gz	SWIVUHRIHGMMCG-UHFFFAOYSA-N	0	0	319.361	2.047	10	5		DEBERN
Cc1cc(N2CC(=O)N(C)[C@@H](C)C2)c2cccc([N+](=O)[O-])c2n1	ZINC000619704974	363861076	/nfs/dbraw/zinc/86/10/76/363861076.db2.gz	XQBPEZVYNHDRBF-NSHDSACASA-N	0	0	314.345	2.118	10	5		DEBERN
Nc1nnn(-c2ccc(Br)cc2[N+](=O)[O-])c1C1CC1	ZINC000093327637	193233160	/nfs/dbraw/zinc/23/31/60/193233160.db2.gz	UPZQXHZGYSBUJO-UHFFFAOYSA-N	0	0	324.138	2.398	10	5		DEBERN
Nc1nnn(-c2ccc([N+](=O)[O-])cc2Br)c1C1CC1	ZINC000093327658	193233955	/nfs/dbraw/zinc/23/39/55/193233955.db2.gz	JVRXTWVDJYOVDU-UHFFFAOYSA-N	0	0	324.138	2.398	10	5		DEBERN
Nc1n[nH]cc1CNc1cc(Br)ccc1[N+](=O)[O-]	ZINC000093436591	193251868	/nfs/dbraw/zinc/25/18/68/193251868.db2.gz	LUTPVISDPPYTFD-UHFFFAOYSA-N	0	0	312.127	2.275	10	5		DEBERN
COc1cc(F)cc(CNC(=O)c2cc([N+](=O)[O-])cnc2C)c1	ZINC000094097270	193344819	/nfs/dbraw/zinc/34/48/19/193344819.db2.gz	LARIAZDIJAFUIR-UHFFFAOYSA-N	0	0	319.292	2.376	10	5		DEBERN
C[C@](N)(c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(F)(F)F	ZINC000094223337	193350687	/nfs/dbraw/zinc/35/06/87/193350687.db2.gz	LOFMJWGDRGCMCM-JTQLQIEISA-N	0	0	302.212	2.381	10	5		DEBERN
Cc1csc(CN2C(=O)C(=O)c3cc([N+](=O)[O-])ccc32)n1	ZINC000094950966	193408546	/nfs/dbraw/zinc/40/85/46/193408546.db2.gz	FYWBDQDBCRUYBV-UHFFFAOYSA-N	0	0	303.299	2.089	10	5		DEBERN
Nc1cc(Cn2cc(Br)ccc2=O)ccc1[N+](=O)[O-]	ZINC000094777362	193396515	/nfs/dbraw/zinc/39/65/15/193396515.db2.gz	QQWZEPNWKYGVAD-UHFFFAOYSA-N	0	0	324.134	2.150	10	5		DEBERN
CCCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])c(NC)cc1C	ZINC000094780490	193397994	/nfs/dbraw/zinc/39/79/94/193397994.db2.gz	ZGGUHSDVEDLHIN-UHFFFAOYSA-N	0	0	315.395	2.366	10	5		DEBERN
CCNc1cc(C)c(S(=O)(=O)N[C@@H]2C[C@H]2C)cc1[N+](=O)[O-]	ZINC000094780634	193398160	/nfs/dbraw/zinc/39/81/60/193398160.db2.gz	QSXHGKNTEFRBLM-PSASIEDQSA-N	0	0	313.379	2.022	10	5		DEBERN
O=C(Nc1cccc2c1OCC[C@H]2O)c1ccc([N+](=O)[O-])o1	ZINC000185271735	284360823	/nfs/dbraw/zinc/36/08/23/284360823.db2.gz	JELVYBLSKDQCIC-SNVBAGLBSA-N	0	0	304.258	2.256	10	5		DEBERN
O=C(NC[C@@H]1CCC[C@H]1CO)c1cccc([N+](=O)[O-])c1Cl	ZINC000160452901	197411845	/nfs/dbraw/zinc/41/18/45/197411845.db2.gz	YXAXMWOZLIIBDY-UWVGGRQHSA-N	0	0	312.753	2.387	10	5		DEBERN
COC(=O)c1cc(N[C@H]2CCCC[C@H]2O)cc(C)c1[N+](=O)[O-]	ZINC000267932688	206345531	/nfs/dbraw/zinc/34/55/31/206345531.db2.gz	GYNSZNMIVLCFPG-QWHCGFSZSA-N	0	0	308.334	2.405	10	5		DEBERN
Cc1ccc(C(=O)NC(=S)N2CCCCC2)cc1[N+](=O)[O-]	ZINC000039841775	183022441	/nfs/dbraw/zinc/02/24/41/183022441.db2.gz	GUVONQAROASCBN-UHFFFAOYSA-N	0	0	307.375	2.404	10	5		DEBERN
CCOC(=O)CNc1ccc([N+](=O)[O-])cc1Br	ZINC000043596551	183375579	/nfs/dbraw/zinc/37/55/79/183375579.db2.gz	IETPAAQTZMYNGY-UHFFFAOYSA-N	0	0	303.112	2.332	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc2c1C(=O)NC2	ZINC000159483738	197357315	/nfs/dbraw/zinc/35/73/15/197357315.db2.gz	SSQLIPVBKNRZNK-UHFFFAOYSA-N	0	0	311.297	2.399	10	5		DEBERN
C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@H](Cn2cccn2)C1	ZINC000105889447	194158581	/nfs/dbraw/zinc/15/85/81/194158581.db2.gz	NJRLHBGNJKLMLG-BBRMVZONSA-N	0	0	316.361	2.253	10	5		DEBERN
Cc1c(CN2CCO[C@H](Cn3cccn3)C2)cccc1[N+](=O)[O-]	ZINC000105890322	194159108	/nfs/dbraw/zinc/15/91/08/194159108.db2.gz	SRSIXGPKGQBSSS-HNNXBMFYSA-N	0	0	316.361	2.001	10	5		DEBERN
CC[C@H](C)CN(C)S(=O)(=O)c1ccc(NC)cc1[N+](=O)[O-]	ZINC000050652692	183795220	/nfs/dbraw/zinc/79/52/20/183795220.db2.gz	UOJXGLHLOSRRAA-JTQLQIEISA-N	0	0	315.395	2.303	10	5		DEBERN
Nc1ccc([N+](=O)[O-])cc1Cn1cc(Br)ccc1=O	ZINC000050828962	183805486	/nfs/dbraw/zinc/80/54/86/183805486.db2.gz	FJDFVSPKFBRPPS-UHFFFAOYSA-N	0	0	324.134	2.150	10	5		DEBERN
CNc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2cscn2)c1	ZINC000050774212	183803460	/nfs/dbraw/zinc/80/34/60/183803460.db2.gz	CLMQHKIZJAZDEU-UHFFFAOYSA-N	0	0	306.347	2.365	10	5		DEBERN
Cc1nc(Cc2noc(-c3ccc([N+](=O)[O-])cc3C)n2)no1	ZINC000109513277	194269903	/nfs/dbraw/zinc/26/99/03/194269903.db2.gz	NKOJTSMGMGRBQF-UHFFFAOYSA-N	0	0	301.262	2.235	10	5		DEBERN
COc1ccc(NC(=O)c2sc(N)nc2C)c([N+](=O)[O-])c1	ZINC000055172499	183968320	/nfs/dbraw/zinc/96/83/20/183968320.db2.gz	SZJKTXCCMHSPEJ-UHFFFAOYSA-N	0	0	308.319	2.203	10	5		DEBERN
C=CC(=O)Nc1ccc2nn(-c3ccc([N+](=O)[O-])cc3)nc2c1	ZINC000059502909	184139175	/nfs/dbraw/zinc/13/91/75/184139175.db2.gz	GDYWUVDYDLTGJT-UHFFFAOYSA-N	0	0	309.285	2.453	10	5		DEBERN
Cc1cc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)no1	ZINC000059771653	184141151	/nfs/dbraw/zinc/14/11/51/184141151.db2.gz	LDHIQLFCPGFNQV-UHFFFAOYSA-N	0	0	324.680	2.122	10	5		DEBERN
CNc1ccc(S(=O)(=O)NCCCC(C)C)cc1[N+](=O)[O-]	ZINC000062098040	184206093	/nfs/dbraw/zinc/20/60/93/184206093.db2.gz	IYYUOYSEZWRNSI-UHFFFAOYSA-N	0	0	315.395	2.351	10	5		DEBERN
CNc1cc(C(=O)NCCC(F)(F)F)c([N+](=O)[O-])cc1F	ZINC000063102826	184271142	/nfs/dbraw/zinc/27/11/42/184271142.db2.gz	SMOWRPYXKHAMIM-UHFFFAOYSA-N	0	0	309.219	2.458	10	5		DEBERN
COC(=O)[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1	ZINC000064844686	184304304	/nfs/dbraw/zinc/30/43/04/184304304.db2.gz	FYENTIFSUYKVGD-CQSZACIVSA-N	0	0	314.297	2.239	10	5		DEBERN
C[NH2+][C@](COc1cc(Cl)ccc1[N+](=O)[O-])(C(=O)[O-])C1CC1	ZINC000069198375	184503778	/nfs/dbraw/zinc/50/37/78/184503778.db2.gz	BXEVQHMGWRNERA-ZDUSSCGKSA-N	0	0	314.725	2.080	10	5		DEBERN
COc1cc(N2CCC[C@H](n3cncn3)C2)c(F)cc1[N+](=O)[O-]	ZINC000119722673	195025546	/nfs/dbraw/zinc/02/55/46/195025546.db2.gz	CUECZPOLAYUSOL-JTQLQIEISA-N	0	0	321.312	2.176	10	5		DEBERN
O=C(NCCc1ccccn1)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000119799816	195039459	/nfs/dbraw/zinc/03/94/59/195039459.db2.gz	HLMUDRKQZCCDCF-UHFFFAOYSA-N	0	0	310.313	2.444	10	5		DEBERN
CCCNc1ncnc(Sc2ncc(C)cn2)c1[N+](=O)[O-]	ZINC000158820160	197303829	/nfs/dbraw/zinc/30/38/29/197303829.db2.gz	RWHMOKBPTDDMLG-UHFFFAOYSA-N	0	0	306.351	2.456	10	5		DEBERN
O=[N+]([O-])c1ccc(N2CCO[C@]3(CCOC3)C2)c2ccncc21	ZINC000274409578	285127627	/nfs/dbraw/zinc/12/76/27/285127627.db2.gz	OGDONMLIVHBAGO-MRXNPFEDSA-N	0	0	315.329	2.139	10	5		DEBERN
Cc1nn(C(C)C)c(NC2CCS(=O)CC2)c1[N+](=O)[O-]	ZINC000158458285	197274548	/nfs/dbraw/zinc/27/45/48/197274548.db2.gz	SRGKBRBZNACVAN-UHFFFAOYSA-N	0	0	300.384	2.004	10	5		DEBERN
COC(=O)CNc1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000158087187	197242554	/nfs/dbraw/zinc/24/25/54/197242554.db2.gz	AMLUJHVNYZKWOU-UHFFFAOYSA-N	0	0	307.075	2.081	10	5		DEBERN
CCCCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1	ZINC000157561834	197197197	/nfs/dbraw/zinc/19/71/97/197197197.db2.gz	ACCWSDFUGWXHDQ-UHFFFAOYSA-N	0	0	307.397	2.049	10	5		DEBERN
CCCN(C(C)C)S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1	ZINC000157560706	197196943	/nfs/dbraw/zinc/19/69/43/197196943.db2.gz	IHSWYFJTYODURR-UHFFFAOYSA-N	0	0	307.397	2.048	10	5		DEBERN
CCNc1ccc([N+](=O)[O-])c(-n2cc(Br)cn2)n1	ZINC000157237188	197172578	/nfs/dbraw/zinc/17/25/78/197172578.db2.gz	UCFBFWTWMPQLOD-UHFFFAOYSA-N	0	0	312.127	2.370	10	5		DEBERN
O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@]2(CCOC2)C1	ZINC000155026960	197015538	/nfs/dbraw/zinc/01/55/38/197015538.db2.gz	SKCPXGAHOBTHJM-MRXNPFEDSA-N	0	0	315.329	2.329	10	5		DEBERN
CCNC(=O)CCNc1ccc([N+](=O)[O-])cc1Br	ZINC000122045301	195394454	/nfs/dbraw/zinc/39/44/54/195394454.db2.gz	JILAWJXLTALODO-UHFFFAOYSA-N	0	0	316.155	2.295	10	5		DEBERN
Cc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1OC1CCCCC1	ZINC000123195253	195554238	/nfs/dbraw/zinc/55/42/38/195554238.db2.gz	SODSTWVXIKINHT-UHFFFAOYSA-N	0	0	314.363	2.262	10	5		DEBERN
C[C@H]1CCOCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1	ZINC000362241236	133219221	/nfs/dbraw/zinc/21/92/21/133219221.db2.gz	XGAMURPPDLGFIB-NSHDSACASA-N	0	0	318.333	2.256	10	5		DEBERN
C[C@H]1[C@@H](CO)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000362475597	133232490	/nfs/dbraw/zinc/23/24/90/133232490.db2.gz	ZGIXMYKBFHFEIE-DTWKUNHWSA-N	0	0	313.741	2.483	10	5		DEBERN
C[C@H]1[C@H](CO)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000362475598	133232527	/nfs/dbraw/zinc/23/25/27/133232527.db2.gz	ZGIXMYKBFHFEIE-IUCAKERBSA-N	0	0	313.741	2.483	10	5		DEBERN
CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(C)COC1	ZINC000185365051	144961348	/nfs/dbraw/zinc/96/13/48/144961348.db2.gz	MMRHIPNANQJGQA-ZDUSSCGKSA-N	0	0	306.362	2.316	10	5		DEBERN
CCN(Cc1c[nH]c2ccccc12)C(=O)c1c[nH]nc1[N+](=O)[O-]	ZINC000549753146	285855305	/nfs/dbraw/zinc/85/53/05/285855305.db2.gz	OOCLCXBZJNFDJC-UHFFFAOYSA-N	0	0	313.317	2.462	10	5		DEBERN
C[C@H]1CCN(c2cc(N)ccc2[N+](=O)[O-])C[C@H]1n1ccnc1	ZINC000249283672	145181542	/nfs/dbraw/zinc/18/15/42/145181542.db2.gz	NKYITOKFQMGZQW-XHDPSFHLSA-N	0	0	301.350	2.461	10	5		DEBERN
Cc1cnc(OCC(=O)c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1	ZINC000360736159	147375988	/nfs/dbraw/zinc/37/59/88/147375988.db2.gz	IVEXESNSNVTIKS-UHFFFAOYSA-N	0	0	316.269	2.289	10	5		DEBERN
C/C=C\C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)OCC	ZINC000361532357	147531865	/nfs/dbraw/zinc/53/18/65/147531865.db2.gz	GCRIGFWEDIBGOB-MFBWXBCUSA-N	0	0	320.345	2.151	10	5		DEBERN
C/C=C\C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C(=O)OCC	ZINC000361545301	147533709	/nfs/dbraw/zinc/53/37/09/147533709.db2.gz	JMYHQAQWNZHTPF-FHMRSRPSSA-N	0	0	306.318	2.223	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C(C)(C)C	ZINC000112363505	401741375	/nfs/dbraw/zinc/74/13/75/401741375.db2.gz	AEVAHIWYDMGVOG-SECBINFHSA-N	0	0	316.379	2.316	10	5		DEBERN
O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@]2(O)CCCC[C@H]2C1	ZINC000127770711	401749356	/nfs/dbraw/zinc/74/93/56/401749356.db2.gz	IDFTTWWEIADZOW-XJKSGUPXSA-N	0	0	304.346	2.362	10	5		DEBERN
O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC[C@@H]1O	ZINC000077160539	401804330	/nfs/dbraw/zinc/80/43/30/401804330.db2.gz	YTIXMGXBONRIMO-WFASDCNBSA-N	0	0	321.377	2.064	10	5		DEBERN
CC(C)CC[C@](C)(O)CNC(=O)COc1ccccc1[N+](=O)[O-]	ZINC000075127326	401750611	/nfs/dbraw/zinc/75/06/11/401750611.db2.gz	YLIAUNHVIQZQPJ-INIZCTEOSA-N	0	0	324.377	2.277	10	5		DEBERN
CC[C@H](C)C(=O)Cn1cc(Br)c(=O)c([N+](=O)[O-])c1	ZINC000089691690	401957416	/nfs/dbraw/zinc/95/74/16/401957416.db2.gz	RTPRIPRUFJPWFO-ZETCQYMHSA-N	0	0	317.139	2.134	10	5		DEBERN
Cc1cccc([N+](=O)[O-])c1N1CCO[C@@](C)(c2cnn(C)c2)C1	ZINC000153286685	402136888	/nfs/dbraw/zinc/13/68/88/402136888.db2.gz	SDSBVDMKHZQYST-MRXNPFEDSA-N	0	0	316.361	2.389	10	5		DEBERN
CCc1ccc([C@H](C)NC(=O)c2c([N+](=O)[O-])cnn2C)cc1	ZINC000160312948	402340279	/nfs/dbraw/zinc/34/02/79/402340279.db2.gz	BUZITLPNMTZFFT-JTQLQIEISA-N	0	0	302.334	2.382	10	5		DEBERN
C[C@H](C(=O)N1CCN(C2CC2)CC1)c1ccc([N+](=O)[O-])cc1F	ZINC000185134225	402327106	/nfs/dbraw/zinc/32/71/06/402327106.db2.gz	BJZBNHACZIZMHB-NSHDSACASA-N	0	0	321.352	2.144	10	5		DEBERN
CCCNC(=O)CCC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1	ZINC000177783638	402435951	/nfs/dbraw/zinc/43/59/51/402435951.db2.gz	TWQHMMWTRRTDIB-CQSZACIVSA-N	0	0	321.377	2.469	10	5		DEBERN
Cc1ccc(C(=O)N2CCC[C@@H]2Cn2ccnc2)cc1[N+](=O)[O-]	ZINC000177797970	402437481	/nfs/dbraw/zinc/43/74/81/402437481.db2.gz	WADKCAVCGFFMEB-CQSZACIVSA-N	0	0	314.345	2.405	10	5		DEBERN
C[C@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1	ZINC000186758629	402462186	/nfs/dbraw/zinc/46/21/86/402462186.db2.gz	AXDMLLOBDMKSIH-ZETCQYMHSA-N	0	0	323.255	2.465	10	5		DEBERN
C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000165528423	402476870	/nfs/dbraw/zinc/47/68/70/402476870.db2.gz	YCCKHACQYDTNNX-VIFPVBQESA-N	0	0	309.322	2.447	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O	ZINC000178347227	402487465	/nfs/dbraw/zinc/48/74/65/402487465.db2.gz	KZZBGQMFGAEXCA-CVEARBPZSA-N	0	0	312.325	2.291	10	5		DEBERN
C[C@H](CCNc1ncnc2ccc([N+](=O)[O-])cc21)[S@@](C)=O	ZINC000167234062	402490629	/nfs/dbraw/zinc/49/06/29/402490629.db2.gz	KPAGZFVWYBOKJO-BTKVJGODSA-N	0	0	308.363	2.107	10	5		DEBERN
COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC(C)(C)O2)c1	ZINC000187330403	402494437	/nfs/dbraw/zinc/49/44/37/402494437.db2.gz	AJWZQRPDMRHGQW-NSHDSACASA-N	0	0	308.334	2.291	10	5		DEBERN
CC(C)c1ccc(C(=O)N2CCCN(C)C(=O)C2)cc1[N+](=O)[O-]	ZINC000189761136	402557405	/nfs/dbraw/zinc/55/74/05/402557405.db2.gz	ITWKSXVDNOGDSC-UHFFFAOYSA-N	0	0	319.361	2.023	10	5		DEBERN
COc1cc(C(=O)N2[C@H](C)CN(C)C[C@@H]2C)cc([N+](=O)[O-])c1C	ZINC000189774244	402558054	/nfs/dbraw/zinc/55/80/54/402558054.db2.gz	OSEAVDQYONIPBS-PHIMTYICSA-N	0	0	321.377	2.076	10	5		DEBERN
C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1	ZINC000189901093	402565648	/nfs/dbraw/zinc/56/56/48/402565648.db2.gz	YYLDSJVZZRBHGY-KGLIPLIRSA-N	0	0	321.421	2.433	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2ccnn2)cc1	ZINC000170721439	402517415	/nfs/dbraw/zinc/51/74/15/402517415.db2.gz	FBJNCXSTPLZRJK-UHFFFAOYSA-N	0	0	324.300	2.131	10	5		DEBERN
CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000248022562	402580525	/nfs/dbraw/zinc/58/05/25/402580525.db2.gz	OCBUYZMNUADEBW-WFASDCNBSA-N	0	0	308.382	2.251	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1c1nc[nH]n1	ZINC000179341207	402585974	/nfs/dbraw/zinc/58/59/74/402585974.db2.gz	KWEIPNYCXFLJOQ-LBPRGKRZSA-N	0	0	301.306	2.080	10	5		DEBERN
CCc1n[nH]c(C(=O)N2CCC(OCC(C)C)CC2)c1[N+](=O)[O-]	ZINC000171804080	402623404	/nfs/dbraw/zinc/62/34/04/402623404.db2.gz	UZTJQCJLBACHMF-UHFFFAOYSA-N	0	0	324.381	2.158	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1[C@H](C)CC(O)C[C@H]1C	ZINC000191150733	402646016	/nfs/dbraw/zinc/64/60/16/402646016.db2.gz	NVVMXRMAARJJKD-VXGBXAGGSA-N	0	0	321.377	2.075	10	5		DEBERN
O=C(NCCCCCCO)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000182315393	402680656	/nfs/dbraw/zinc/68/06/56/402680656.db2.gz	QJPAKOLROAFKKL-UHFFFAOYSA-N	0	0	305.334	2.359	10	5		DEBERN
CCCCOC[C@@H](O)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000193254816	402768920	/nfs/dbraw/zinc/76/89/20/402768920.db2.gz	WQODFKAVYYOHCS-AWEZNQCLSA-N	0	0	320.349	2.031	10	5		DEBERN
Cn1cc([C@@H]2CCCN2C(=O)Nc2ccncc2[N+](=O)[O-])cn1	ZINC000183552045	402775648	/nfs/dbraw/zinc/77/56/48/402775648.db2.gz	ZVOXFGBNQGYSNC-LBPRGKRZSA-N	0	0	316.321	2.092	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(N(C)C)cn1	ZINC000194520462	402801296	/nfs/dbraw/zinc/80/12/96/402801296.db2.gz	FWXRWBMATQVFEN-UHFFFAOYSA-N	0	0	301.306	2.012	10	5		DEBERN
CCOc1cccc(NCCCN2CCCC2=O)c1[N+](=O)[O-]	ZINC000184034435	402812981	/nfs/dbraw/zinc/81/29/81/402812981.db2.gz	FTXQZCDMSNOQQS-UHFFFAOYSA-N	0	0	307.350	2.418	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NCCc1cccc(F)c1	ZINC000195176766	402835561	/nfs/dbraw/zinc/83/55/61/402835561.db2.gz	GDMYYOHJILNNIO-UHFFFAOYSA-N	0	0	303.293	2.410	10	5		DEBERN
CCC[C@@H](CC)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000195213148	402837050	/nfs/dbraw/zinc/83/70/50/402837050.db2.gz	SRPXPNRWUWMARH-SNVBAGLBSA-N	0	0	316.379	2.460	10	5		DEBERN
Cc1ccccc1SCC(=O)Nc1c([N+](=O)[O-])cnn1C	ZINC000184400596	402841284	/nfs/dbraw/zinc/84/12/84/402841284.db2.gz	YJSNACDFCIAASA-UHFFFAOYSA-N	0	0	306.347	2.368	10	5		DEBERN
CC(C)c1nnc(CN2CCc3c2cccc3[N+](=O)[O-])n1C	ZINC000183630319	402783836	/nfs/dbraw/zinc/78/38/36/402783836.db2.gz	ZIOTXYKLQZKVFE-UHFFFAOYSA-N	0	0	301.350	2.409	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCn1ccnc1C	ZINC000273271871	402989324	/nfs/dbraw/zinc/98/93/24/402989324.db2.gz	DWTAZZDTGWOZHO-QXMHVHEDSA-N	0	0	314.345	2.319	10	5		DEBERN
Cn1cc([C@@]2(C)CN(c3ccc(F)cc3[N+](=O)[O-])CCO2)cn1	ZINC000268422713	403081516	/nfs/dbraw/zinc/08/15/16/403081516.db2.gz	XSGCFIYRQSYVJD-OAHLLOKOSA-N	0	0	320.324	2.219	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ncnn1C	ZINC000276425704	403173920	/nfs/dbraw/zinc/17/39/20/403173920.db2.gz	GRLAQBZFKJFVOZ-RJCSOLBVSA-N	0	0	315.333	2.004	10	5		DEBERN
CC1(C)SC[C@H]1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F	ZINC000283712089	403217349	/nfs/dbraw/zinc/21/73/49/403217349.db2.gz	YTNYUIFFPOAGNO-SNVBAGLBSA-N	0	0	302.302	2.497	10	5		DEBERN
C[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CC[S@@](=O)C1	ZINC000292088980	403287767	/nfs/dbraw/zinc/28/77/67/403287767.db2.gz	YNBYKZNUCLTWAY-RKFFSXRUSA-N	0	0	319.386	2.348	10	5		DEBERN
CCN(CCO)c1cc(C)nc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000301227639	403602485	/nfs/dbraw/zinc/60/24/85/403602485.db2.gz	HMKUQBRQPHBQCN-UHFFFAOYSA-N	0	0	302.334	2.179	10	5		DEBERN
CC(=O)N1CCC(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CC1	ZINC000341253682	403867052	/nfs/dbraw/zinc/86/70/52/403867052.db2.gz	ABGZJDCFNGSGCC-LLVKDONJSA-N	0	0	319.361	2.031	10	5		DEBERN
C/C=C/C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C(=O)OCC	ZINC000361545304	405125327	/nfs/dbraw/zinc/12/53/27/405125327.db2.gz	JMYHQAQWNZHTPF-PYEVWLCESA-N	0	0	306.318	2.223	10	5		DEBERN
CN1CCO[C@@H](CN(CC2CC2)c2ccccc2[N+](=O)[O-])C1	ZINC000570141962	406351496	/nfs/dbraw/zinc/35/14/96/406351496.db2.gz	AROZXRVTURQLSC-CQSZACIVSA-N	0	0	305.378	2.142	10	5		DEBERN
O=C([C@H]1CCC[C@H](O)C1)N1CCc2c(cccc2[N+](=O)[O-])C1	ZINC000525892196	406516886	/nfs/dbraw/zinc/51/68/86/406516886.db2.gz	RRYQRESITIGOHL-AAEUAGOBSA-N	0	0	304.346	2.031	10	5		DEBERN
C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C	ZINC000129761031	196074114	/nfs/dbraw/zinc/07/41/14/196074114.db2.gz	BBXJGEZVDDEBTL-ZJUUUORDSA-N	0	0	316.354	2.401	10	5		DEBERN
CCc1nnc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1C	ZINC000130736472	196105334	/nfs/dbraw/zinc/10/53/34/196105334.db2.gz	OUGOAZWNHXGZDG-UHFFFAOYSA-N	0	0	315.377	2.450	10	5		DEBERN
CC[C@@H](NC(=O)CCn1cc([N+](=O)[O-])nc1C)c1nccs1	ZINC000130787931	196110323	/nfs/dbraw/zinc/11/03/23/196110323.db2.gz	ZRAQXMXIWTVSQW-SNVBAGLBSA-N	0	0	323.378	2.214	10	5		DEBERN
C[C@H]1C[C@H]1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131228632	196151109	/nfs/dbraw/zinc/15/11/09/196151109.db2.gz	MCKRQCZUBAGFGV-IUCAKERBSA-N	0	0	302.327	2.010	10	5		DEBERN
C[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131221510	196151441	/nfs/dbraw/zinc/15/14/41/196151441.db2.gz	LDACBLWCMWKRQI-KWQFWETISA-N	0	0	302.327	2.201	10	5		DEBERN
CC(C)[C@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131239484	196151914	/nfs/dbraw/zinc/15/19/14/196151914.db2.gz	ZXJRQPSGEAFBEI-SECBINFHSA-N	0	0	304.343	2.304	10	5		DEBERN
CC[C@H](C)CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(NC)c1	ZINC000131902445	196209226	/nfs/dbraw/zinc/20/92/26/196209226.db2.gz	YFVYZPREWQFNQL-JTQLQIEISA-N	0	0	315.395	2.303	10	5		DEBERN
CCCC[C@H](C(=O)OC)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000132509200	196261449	/nfs/dbraw/zinc/26/14/49/196261449.db2.gz	CFRWWGMVAMSPRU-GFCCVEGCSA-N	0	0	315.347	2.100	10	5		DEBERN
CC[C@@H](CC1CC1)NS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1	ZINC000132715517	196277966	/nfs/dbraw/zinc/27/79/66/196277966.db2.gz	WZEZAXDNHHKGCW-JTQLQIEISA-N	0	0	313.379	2.034	10	5		DEBERN
COC(=O)N[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1	ZINC000133984660	196351391	/nfs/dbraw/zinc/35/13/91/196351391.db2.gz	PQMUTSVWQTUTDT-JTQLQIEISA-N	0	0	313.741	2.179	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)NCCC2CCC2)cc1F	ZINC000134163909	196366941	/nfs/dbraw/zinc/36/69/41/196366941.db2.gz	XYIGDHZHWYWNRP-UHFFFAOYSA-N	0	0	302.327	2.202	10	5		DEBERN
O=C(N[C@@H](c1ccccc1)c1ccncc1)c1[nH]ncc1[N+](=O)[O-]	ZINC000134240457	196373040	/nfs/dbraw/zinc/37/30/40/196373040.db2.gz	WYRCYJCQCATUPO-AWEZNQCLSA-N	0	0	323.312	2.232	10	5		DEBERN
Cc1c(F)cc(S(=O)(=O)N2CCC[C@H](C)C2)cc1[N+](=O)[O-]	ZINC000132495126	224640683	/nfs/dbraw/zinc/64/06/83/224640683.db2.gz	RCRIRQWFALCBSS-VIFPVBQESA-N	0	0	316.354	2.463	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)n1	ZINC000191578694	225113506	/nfs/dbraw/zinc/11/35/06/225113506.db2.gz	IUYMBGJOSMPNIG-RYUDHWBXSA-N	0	0	318.308	2.236	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NC2(c3cccc(F)c3)CC2)n1	ZINC000191629234	225114457	/nfs/dbraw/zinc/11/44/57/225114457.db2.gz	XBTVEJKGACPZSW-UHFFFAOYSA-N	0	0	318.308	2.369	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2c(C)cccc2OC)n1	ZINC000195019898	225195659	/nfs/dbraw/zinc/19/56/59/225195659.db2.gz	SMZDMWVRYPNEPX-UHFFFAOYSA-N	0	0	304.306	2.381	10	5		DEBERN
C[C@@](O)(CNc1cc(CO)ccc1[N+](=O)[O-])c1ccccc1	ZINC000302041973	230057154	/nfs/dbraw/zinc/05/71/54/230057154.db2.gz	NWMQIYKTAOZQBT-MRXNPFEDSA-N	0	0	302.330	2.407	10	5		DEBERN
O=C1CCc2cc([N+](=O)[O-])c(NCC3(CCO)CC3)cc2N1	ZINC000302396717	230232581	/nfs/dbraw/zinc/23/25/81/230232581.db2.gz	CYPGMYDQFPBMGF-UHFFFAOYSA-N	0	0	305.334	2.054	10	5		DEBERN
CC1(C)CC[C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)O1	ZINC000187373844	267660584	/nfs/dbraw/zinc/66/05/84/267660584.db2.gz	NEZKXMUPRSBBPU-ZDUSSCGKSA-N	0	0	308.334	2.047	10	5		DEBERN
CCC1(CC)CN(c2ncc([N+](=O)[O-])s2)CC[S@@]1=O	ZINC000192534097	276216935	/nfs/dbraw/zinc/21/69/35/276216935.db2.gz	RRKYHVKDZQRGDK-LJQANCHMSA-N	0	0	303.409	2.179	10	5		DEBERN
CCOc1cccc(N2CCN(CCOC)[C@H](C)C2)c1[N+](=O)[O-]	ZINC000183148825	276381145	/nfs/dbraw/zinc/38/11/45/276381145.db2.gz	CKLNVTSCIZHRMS-CYBMUJFWSA-N	0	0	323.393	2.150	10	5		DEBERN
COc1c(C)cnc(Cn2cc([N+](=O)[O-])cc(C)c2=O)c1C	ZINC000155909363	277363552	/nfs/dbraw/zinc/36/35/52/277363552.db2.gz	WITKYOHRGCLMGW-UHFFFAOYSA-N	0	0	303.318	2.134	10	5		DEBERN
COC(=O)c1ccc2c(=O)[nH]c3cc4ccccc4c(=O)n3c2c1	ZINC000003218280	277437993	/nfs/dbraw/zinc/43/79/93/277437993.db2.gz	IBSPJWPYRIKVSI-UHFFFAOYSA-N	0	0	320.304	2.081	10	5		DEBERN
C[C@@H]1[C@H](C(F)(F)F)CCN1c1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000359887117	278089261	/nfs/dbraw/zinc/08/92/61/278089261.db2.gz	OIYQMOWECGJWHL-VXNVDRBHSA-N	0	0	317.267	2.471	10	5		DEBERN
C[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[C@@H](C)[C@H](C)O1	ZINC000408103710	278811356	/nfs/dbraw/zinc/81/13/56/278811356.db2.gz	BMWBYTRBNOWSEJ-UTLUCORTSA-N	0	0	318.333	2.246	10	5		DEBERN
CCOC(=O)N[C@@H]1CCCN(c2cc(F)ccc2[N+](=O)[O-])C1	ZINC000302789904	279579135	/nfs/dbraw/zinc/57/91/35/279579135.db2.gz	FSKKOSWJJXUBGD-LLVKDONJSA-N	0	0	311.313	2.449	10	5		DEBERN
C[C@H]1CC(O)C[C@H](C)N1Cc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000191286757	279639916	/nfs/dbraw/zinc/63/99/16/279639916.db2.gz	RWYRBXZASSEQIO-QWRGUYRKSA-N	0	0	322.361	2.195	10	5		DEBERN
Cc1cc(N2CCS(=O)(=O)[C@H](C)C2)c(Cl)cc1[N+](=O)[O-]	ZINC000160751546	280565854	/nfs/dbraw/zinc/56/58/54/280565854.db2.gz	SNKMAIVXLLBYIZ-SECBINFHSA-N	0	0	318.782	2.180	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](C)O[C@@]3(CCCOC3)C2)n1	ZINC000408340237	301205904	/nfs/dbraw/zinc/20/59/04/301205904.db2.gz	USCBMCWZHSXJQN-BBRMVZONSA-N	0	0	321.377	2.381	10	5		DEBERN
COC(=O)c1cc(N(C)C[C@@H]2CCCCO2)ccc1[N+](=O)[O-]	ZINC000301105662	533848593	/nfs/dbraw/zinc/84/85/93/533848593.db2.gz	TVIRKZLLQNNKDV-LBPRGKRZSA-N	0	0	308.334	2.387	10	5		DEBERN
CCN(CCc1nccs1)C(=O)c1ccc(N)c([N+](=O)[O-])c1	ZINC000131509887	521180534	/nfs/dbraw/zinc/18/05/34/521180534.db2.gz	YRIKCGOGZCRJFG-UHFFFAOYSA-N	0	0	320.374	2.338	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](O)Cc1ccccc1	ZINC000104912718	525561173	/nfs/dbraw/zinc/56/11/73/525561173.db2.gz	FHLCYXUGTTUVGL-OAHLLOKOSA-N	0	0	314.341	2.237	10	5		DEBERN
Cc1nn(CCC(=O)NCCC2=CCCC2)c(C)c1[N+](=O)[O-]	ZINC000131185224	526278201	/nfs/dbraw/zinc/27/82/01/526278201.db2.gz	LNNPVOZIGGCXRD-UHFFFAOYSA-N	0	0	306.366	2.415	10	5		DEBERN
CCOc1ccc(C(=O)N2CC(C)(COC)C2)cc1[N+](=O)[O-]	ZINC000447847808	528389722	/nfs/dbraw/zinc/38/97/22/528389722.db2.gz	IEXZOZGOJLDUTE-UHFFFAOYSA-N	0	0	308.334	2.102	10	5		DEBERN
CC(C)[C@@H](C)NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000298124827	528415129	/nfs/dbraw/zinc/41/51/29/528415129.db2.gz	BCKLJNHZPZXWJR-CYBMUJFWSA-N	0	0	320.393	2.471	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(F)c(F)c2F)n1	ZINC000191451668	529154800	/nfs/dbraw/zinc/15/48/00/529154800.db2.gz	MRCKVQKPCHYGKY-UHFFFAOYSA-N	0	0	314.223	2.481	10	5		DEBERN
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](CO)C1CC1	ZINC000358350542	536134800	/nfs/dbraw/zinc/13/48/00/536134800.db2.gz	KYXUGGCLQWHFGM-HIFRSBDPSA-N	0	0	320.389	2.298	10	5		DEBERN
COC(=O)c1cc(NCc2ncccn2)c(C)c([N+](=O)[O-])c1	ZINC000362754799	536567032	/nfs/dbraw/zinc/56/70/32/536567032.db2.gz	BCBUZOAREQASHX-UHFFFAOYSA-N	0	0	302.290	2.092	10	5		DEBERN
Cc1c(C(=O)NCc2cscn2)cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000050407524	624909975	/nfs/dbraw/zinc/90/99/75/624909975.db2.gz	MOELJLJLPNRAQF-UHFFFAOYSA-N	0	0	322.302	2.198	10	5		DEBERN
COC(=O)c1cc(Oc2ccc([N+](=O)[O-])nc2)ccc1[N+](=O)[O-]	ZINC000735487719	633512848	/nfs/dbraw/zinc/51/28/48/633512848.db2.gz	WTDYTQKHZKGXMK-UHFFFAOYSA-N	0	0	319.229	2.477	10	5		DEBERN
CC[S@](=O)CCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000741422144	637980498	/nfs/dbraw/zinc/98/04/98/637980498.db2.gz	GOVQCNHDQBWSLG-FQEVSTJZSA-N	0	0	319.770	2.138	10	5		DEBERN
CCOC(=O)[C@@H](CC1CC1)NC(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000752381884	639177276	/nfs/dbraw/zinc/17/72/76/639177276.db2.gz	DQOLXZHJCYJPEQ-CYBMUJFWSA-N	0	0	320.345	2.365	10	5		DEBERN
C/C(=C/C(=O)N[C@@H]1CC(C)(C)OC1=O)c1ccc([N+](=O)[O-])cc1	ZINC000752650010	639205837	/nfs/dbraw/zinc/20/58/37/639205837.db2.gz	AVJVHQHKMHRJCT-CHOZFAJLSA-N	0	0	318.329	2.208	10	5		DEBERN
C[C@@H](OC(=O)CN(C)c1ccccc1[N+](=O)[O-])C1CCOCC1	ZINC000089240504	639985597	/nfs/dbraw/zinc/98/55/97/639985597.db2.gz	CBVCTHJVJURCPK-GFCCVEGCSA-N	0	0	322.361	2.389	10	5		DEBERN
O=[N+]([O-])c1ccc(OCCCN2CCO[C@@H](C(F)F)C2)cc1	ZINC000801563681	645416287	/nfs/dbraw/zinc/41/62/87/645416287.db2.gz	GSDRRKDIAIHOAX-CYBMUJFWSA-N	0	0	316.304	2.330	10	5		DEBERN
C/C(=C\C(=O)OCc1ccc[n+]([O-])c1)c1ccc([N+](=O)[O-])cc1	ZINC000802179423	645493602	/nfs/dbraw/zinc/49/36/02/645493602.db2.gz	BFDTTYUVEWRWDU-FMIVXFBMSA-N	0	0	314.297	2.375	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H]1CCCN1C(=O)C(C)C	ZINC000055406723	646432888	/nfs/dbraw/zinc/43/28/88/646432888.db2.gz	DHZQPONUEQXMSR-ZDUSSCGKSA-N	0	0	320.345	2.456	10	5		DEBERN
Cc1nc([N+](=O)[O-])cn1CCC(=O)OCCCC(F)(F)F	ZINC000157654202	646545880	/nfs/dbraw/zinc/54/58/80/646545880.db2.gz	MGNRPSFWBCUANV-UHFFFAOYSA-N	0	0	309.244	2.376	10	5		DEBERN
Cc1nn(C)cc1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1	ZINC000172856071	646752620	/nfs/dbraw/zinc/75/26/20/646752620.db2.gz	MMRLIUJJYAYGMM-UHFFFAOYSA-N	0	0	317.349	2.468	10	5		DEBERN
O=C1COc2cc([N+](=O)[O-])c(NCc3cccc(O)c3)cc2N1	ZINC000180416672	648490318	/nfs/dbraw/zinc/49/03/18/648490318.db2.gz	BUALKJHHLDQDBH-UHFFFAOYSA-N	0	0	315.285	2.243	10	5		DEBERN
Cc1ccccc1[C@@H](O)CNC(=O)c1cc([N+](=O)[O-])cnc1C	ZINC000112396543	651512765	/nfs/dbraw/zinc/51/27/65/651512765.db2.gz	AFEMMTUFDCXGTB-HNNXBMFYSA-N	0	0	315.329	2.070	10	5		DEBERN
Cc1ccc([C@@H](O)CNC(=O)c2cc([N+](=O)[O-])cnc2C)cc1	ZINC000041467284	683890591	/nfs/dbraw/zinc/89/05/91/683890591.db2.gz	IVOJUBVDGRGASG-HNNXBMFYSA-N	0	0	315.329	2.070	10	5		DEBERN
CC(C)C(=O)N1CCC[C@H]1C(=O)Oc1cccc([N+](=O)[O-])c1	ZINC000077530139	683953357	/nfs/dbraw/zinc/95/33/57/683953357.db2.gz	TXIKZQICOCPNRR-ZDUSSCGKSA-N	0	0	306.318	2.147	10	5		DEBERN
C[C@@H](Cc1ccccc1)C(=O)OCCn1ccc([N+](=O)[O-])n1	ZINC000748123308	776894787	/nfs/dbraw/zinc/89/47/87/776894787.db2.gz	VCPNMSAROXYTBK-LBPRGKRZSA-N	0	0	303.318	2.213	10	5		DEBERN
COC(=O)C[C@@H](C)OC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1	ZINC000588457001	777219061	/nfs/dbraw/zinc/21/90/61/777219061.db2.gz	CQVNHEMWBJHMNW-HIJJYWJESA-N	0	0	307.302	2.493	10	5		DEBERN
CO[C@H]1C[C@H](CNc2c(Br)cncc2[N+](=O)[O-])C1	ZINC000714715943	792334549	/nfs/dbraw/zinc/33/45/49/792334549.db2.gz	TYQXMRPTKNIXEY-ZKCHVHJHSA-N	0	0	316.155	2.011	10	5		DEBERN
CO[C@@H]1CCC[C@H]1NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1	ZINC000050705363	1078476367	/nfs/dbraw/zinc/47/63/67/1078476367.db2.gz	PPXHDWOXMAWKDO-MWLCHTKSSA-N	0	0	313.741	2.128	10	5		DEBERN
O=[N+]([O-])c1ccc(OC2CC2)c(I)n1	ZINC000095735598	185383552	/nfs/dbraw/zinc/38/35/52/185383552.db2.gz	UOPTZDDBPFHGQE-UHFFFAOYSA-N	0	0	306.059	2.136	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn([C@@H](C)C(=O)Nc2ccccc2)c1=O	ZINC000096778144	185387233	/nfs/dbraw/zinc/38/72/33/185387233.db2.gz	LTYHVQCPTFQLIQ-NSHDSACASA-N	0	0	301.302	2.265	10	5		DEBERN
CC1(C)CN(c2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@H](CO)O1	ZINC000163686710	197644938	/nfs/dbraw/zinc/64/49/38/197644938.db2.gz	CLGMPAQCSNZXNM-MRVPVSSYSA-N	0	0	318.732	2.363	10	5		DEBERN
Cn1cccc1[C@@H](O)CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000077101689	185108409	/nfs/dbraw/zinc/10/84/09/185108409.db2.gz	VIRWBKVNTIGHJO-ZDUSSCGKSA-N	0	0	323.736	2.050	10	5		DEBERN
CC[C@H](C)C[C@H](C)NS(=O)(=O)c1ccc(N)cc1[N+](=O)[O-]	ZINC000088311763	185245243	/nfs/dbraw/zinc/24/52/43/185245243.db2.gz	VDKYPFRADGPZPU-UWVGGRQHSA-N	0	0	315.395	2.280	10	5		DEBERN
CCCOc1cc(N[C@H]2C=CS(=O)(=O)C2)ccc1[N+](=O)[O-]	ZINC000088859329	185267570	/nfs/dbraw/zinc/26/75/70/185267570.db2.gz	GWXXEXOFJHZHAC-NSHDSACASA-N	0	0	312.347	2.106	10	5		DEBERN
COC(=O)C[C@@H](C)Sc1cc2c(cc1[N+](=O)[O-])CC(=O)N2	ZINC000090100534	185282033	/nfs/dbraw/zinc/28/20/33/185282033.db2.gz	CSHSQYHEHLZWLK-SSDOTTSWSA-N	0	0	310.331	2.133	10	5		DEBERN
Cc1nn(C(C)C)c(Sc2ncc(CO)n2C)c1[N+](=O)[O-]	ZINC000090244050	185288217	/nfs/dbraw/zinc/28/82/17/185288217.db2.gz	NCHLFJXHRFJRHA-UHFFFAOYSA-N	0	0	311.367	2.058	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cnn2c1OCCC2	ZINC000090627031	185307504	/nfs/dbraw/zinc/30/75/04/185307504.db2.gz	CDERDHMFFGAKQJ-UHFFFAOYSA-N	0	0	302.290	2.135	10	5		DEBERN
CCCCN1CCOC[C@@H]1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1	ZINC000184165518	282246127	/nfs/dbraw/zinc/24/61/27/282246127.db2.gz	WJPMMPLJJNSYBD-OAHLLOKOSA-N	0	0	321.377	2.343	10	5		DEBERN
CCNc1ccc([N+](=O)[O-])c(S(=O)(=O)NC2(C)CCC2)c1	ZINC000168364153	197721988	/nfs/dbraw/zinc/72/19/88/197721988.db2.gz	LHVSJFXNISEIAE-UHFFFAOYSA-N	0	0	313.379	2.248	10	5		DEBERN
COCc1nn(-c2ccccc2[N+](=O)[O-])c(Cl)c1[N+](=O)[O-]	ZINC000097099458	185409290	/nfs/dbraw/zinc/40/92/90/185409290.db2.gz	VFFDCJWVRBLDAC-UHFFFAOYSA-N	0	0	312.669	2.489	10	5		DEBERN
Cc1cc(COCC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)on1	ZINC000193403728	282349749	/nfs/dbraw/zinc/34/97/49/282349749.db2.gz	KKHMKEVSLNWUFM-LLVKDONJSA-N	0	0	319.317	2.285	10	5		DEBERN
O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccco2)sc1Cl	ZINC000107551340	185483888	/nfs/dbraw/zinc/48/38/88/185483888.db2.gz	GFGMUEAZGKAULA-UHFFFAOYSA-N	0	0	322.751	2.381	10	5		DEBERN
COc1nc(Cl)nc(NCCc2ccc([N+](=O)[O-])cc2)n1	ZINC000061514306	190694139	/nfs/dbraw/zinc/69/41/39/190694139.db2.gz	XDDJGLHKMRAJMH-UHFFFAOYSA-N	0	0	309.713	2.096	10	5		DEBERN
COC(=O)N[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1F)C(C)C	ZINC000108153093	185503685	/nfs/dbraw/zinc/50/36/85/185503685.db2.gz	QASGHWDTZDZWSW-LLVKDONJSA-N	0	0	313.285	2.053	10	5		DEBERN
CCC1(CC)CN(c2nccc(C)c2[N+](=O)[O-])CC[S@@]1=O	ZINC000302221022	282380000	/nfs/dbraw/zinc/38/00/00/282380000.db2.gz	NGJPFQNOVKLRFT-OAQYLSRUSA-N	0	0	311.407	2.426	10	5		DEBERN
CNc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)CC1CC1	ZINC000070109002	190858635	/nfs/dbraw/zinc/85/86/35/190858635.db2.gz	GOARQMZWQRWCFP-VIFPVBQESA-N	0	0	313.379	2.103	10	5		DEBERN
Cc1n[nH]c(C(=O)NC2C3CC4CC(C3)CC2C4)c1[N+](=O)[O-]	ZINC000197062990	539722432	/nfs/dbraw/zinc/72/24/32/539722432.db2.gz	YOCNMGJAOICACQ-UHFFFAOYSA-N	0	0	304.350	2.181	10	5		DEBERN
CCOC(=O)c1cccc(Cn2c(C)c([N+](=O)[O-])ccc2=O)c1	ZINC000071526654	190986858	/nfs/dbraw/zinc/98/68/58/190986858.db2.gz	JNWFIDMDCOMTKX-UHFFFAOYSA-N	0	0	316.313	2.290	10	5		DEBERN
C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ncc[nH]1	ZINC000141017006	186029000	/nfs/dbraw/zinc/02/90/00/186029000.db2.gz	XLUUFMDEZFSYTM-SECBINFHSA-N	0	0	306.347	2.287	10	5		DEBERN
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1csc(N)n1	ZINC000147519615	186040245	/nfs/dbraw/zinc/04/02/45/186040245.db2.gz	FSYPUICIMNWXTF-MRVPVSSYSA-N	0	0	306.347	2.467	10	5		DEBERN
Nc1cccc(Sc2nnnn2C2CCCC2)c1[N+](=O)[O-]	ZINC000149590843	186051767	/nfs/dbraw/zinc/05/17/67/186051767.db2.gz	XMQADKPKGQRSGZ-UHFFFAOYSA-N	0	0	306.351	2.430	10	5		DEBERN
COc1ccc(C[S@@](=O)c2cccc(N)c2)cc1[N+](=O)[O-]	ZINC000150131773	186055038	/nfs/dbraw/zinc/05/50/38/186055038.db2.gz	MEUPXHZKFCUAGV-NRFANRHFSA-N	0	0	306.343	2.493	10	5		DEBERN
CCOc1nc(NC)nc(Sc2ccccc2[N+](=O)[O-])n1	ZINC000150175217	186055458	/nfs/dbraw/zinc/05/54/58/186055458.db2.gz	LPJAOTIUHVNPJF-UHFFFAOYSA-N	0	0	307.335	2.371	10	5		DEBERN
COC(=O)c1cc(F)ccc1Cn1cc([N+](=O)[O-])cc(C)c1=O	ZINC000155795985	186113148	/nfs/dbraw/zinc/11/31/48/186113148.db2.gz	KYNGIYLKIUJYQA-UHFFFAOYSA-N	0	0	320.276	2.039	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(Cc2nc(-c3cccs3)no2)c1=O	ZINC000155883506	186119983	/nfs/dbraw/zinc/11/99/83/186119983.db2.gz	XSENFJUXKKPLIC-UHFFFAOYSA-N	0	0	318.314	2.225	10	5		DEBERN
Cc1cnc(N[C@H]2CCCN(c3ncccn3)C2)c([N+](=O)[O-])c1	ZINC000172807610	198151767	/nfs/dbraw/zinc/15/17/67/198151767.db2.gz	CQUVBYMWNNMCIS-LBPRGKRZSA-N	0	0	314.349	2.169	10	5		DEBERN
C[C@H]1COC[C@H](C)N1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12	ZINC000265881001	290978526	/nfs/dbraw/zinc/97/85/26/290978526.db2.gz	MRDSHMKFIDBXCI-UWVGGRQHSA-N	0	0	303.318	2.326	10	5		DEBERN
C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc2c(c1)OCO2	ZINC000020448629	354046541	/nfs/dbraw/zinc/04/65/41/354046541.db2.gz	AVHBSXDIAIXHSI-MRVPVSSYSA-N	0	0	304.258	2.408	10	5		DEBERN
C[C@H](Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C(C)(C)C	ZINC000085705497	355495823	/nfs/dbraw/zinc/49/58/23/355495823.db2.gz	XQLDLNJTMBGIQE-QMMMGPOBSA-N	0	0	301.368	2.089	10	5		DEBERN
NC(=O)c1[nH]nc2ccc(Nc3ccc([N+](=O)[O-])cc3F)cc21	ZINC000089651953	355540865	/nfs/dbraw/zinc/54/08/65/355540865.db2.gz	ULNSJGNKOWOYRU-UHFFFAOYSA-N	0	0	315.264	2.453	10	5		DEBERN
O=[N+]([O-])c1cc(CN2CCCSCC2)c2c(c1)COCO2	ZINC000089985803	355551306	/nfs/dbraw/zinc/55/13/06/355551306.db2.gz	PTIVGJORXKNTIY-UHFFFAOYSA-N	0	0	310.375	2.400	10	5		DEBERN
CC(C)(C)Oc1cc(CNc2ncc([N+](=O)[O-])c(N)n2)ccn1	ZINC000091674721	355604191	/nfs/dbraw/zinc/60/41/91/355604191.db2.gz	XNVYWCXPMRBPGB-UHFFFAOYSA-N	0	0	318.337	2.151	10	5		DEBERN
COC(=O)c1cncc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1	ZINC000179076674	356014000	/nfs/dbraw/zinc/01/40/00/356014000.db2.gz	MUVBKNVLIHJJKB-UHFFFAOYSA-N	0	0	321.314	2.399	10	5		DEBERN
COc1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)on1	ZINC000183610534	356177312	/nfs/dbraw/zinc/17/73/12/356177312.db2.gz	XEQVMLAGFBEMGK-QMMMGPOBSA-N	0	0	303.274	2.183	10	5		DEBERN
CCC1(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CCC1	ZINC000178589943	198892925	/nfs/dbraw/zinc/89/29/25/198892925.db2.gz	UTLHCHABHUOTQA-UHFFFAOYSA-N	0	0	306.318	2.444	10	5		DEBERN
O=C(N[C@H]1CCC[C@@H]1CCO)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000187826836	200162377	/nfs/dbraw/zinc/16/23/77/200162377.db2.gz	WGUQKAPGQAHTSR-YGRLFVJLSA-N	0	0	317.345	2.357	10	5		DEBERN
CC[C@H]1CN(c2ncc([N+](=O)[O-])s2)CCN1CC(F)F	ZINC000192517288	200893178	/nfs/dbraw/zinc/89/31/78/200893178.db2.gz	RSMPVPOUKVZTHO-QMMMGPOBSA-N	0	0	306.338	2.217	10	5		DEBERN
CCn1cnnc1[C@H]1CCCN(c2cc(N)ccc2[N+](=O)[O-])C1	ZINC000192801911	200943236	/nfs/dbraw/zinc/94/32/36/200943236.db2.gz	LTKNHDKFCWFHOK-NSHDSACASA-N	0	0	316.365	2.172	10	5		DEBERN
C[C@@H](C(=O)N1CCC(=O)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F	ZINC000193940424	201150163	/nfs/dbraw/zinc/15/01/63/201150163.db2.gz	OOXIASPCYZMLSP-VHSXEESVSA-N	0	0	308.309	2.275	10	5		DEBERN
CC[C@@H]1CN(c2cc(OC)ccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1	ZINC000619504162	363813859	/nfs/dbraw/zinc/81/38/59/363813859.db2.gz	HMESBLWFXLUGKK-MLGOLLRUSA-N	0	0	322.361	2.378	10	5		DEBERN
CC[C@H](C)CN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N	ZINC000093265234	193223181	/nfs/dbraw/zinc/22/31/81/193223181.db2.gz	NZOIERRVEXDPEW-JTQLQIEISA-N	0	0	315.395	2.234	10	5		DEBERN
CC1(C)CCC[C@H]1NS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1	ZINC000094330512	193359238	/nfs/dbraw/zinc/35/92/38/193359238.db2.gz	ARQQSTZELLRISV-GFCCVEGCSA-N	0	0	313.379	2.034	10	5		DEBERN
Cn1cc(CNc2ccc(Br)c([N+](=O)[O-])c2)nn1	ZINC000094187855	193347715	/nfs/dbraw/zinc/34/77/15/193347715.db2.gz	FDSGRGHCBZMUCU-UHFFFAOYSA-N	0	0	312.127	2.098	10	5		DEBERN
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC1(C)C	ZINC000094780161	193397192	/nfs/dbraw/zinc/39/71/92/193397192.db2.gz	QLWMZXXRPMIHNL-NSHDSACASA-N	0	0	302.327	2.119	10	5		DEBERN
CCC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(NC)cc1C	ZINC000094780365	193398034	/nfs/dbraw/zinc/39/80/34/193398034.db2.gz	BQBRPRLYDNXFTG-JTQLQIEISA-N	0	0	315.395	2.412	10	5		DEBERN
CCCN(CCC)S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1C	ZINC000094780462	193398136	/nfs/dbraw/zinc/39/81/36/193398136.db2.gz	LEFHGSIMRJVMDA-UHFFFAOYSA-N	0	0	315.395	2.296	10	5		DEBERN
CNc1c(Cl)cc(C(=O)NCC(C)(C)OC)cc1[N+](=O)[O-]	ZINC000161234462	197477369	/nfs/dbraw/zinc/47/73/69/197477369.db2.gz	BJTUVBBCQLCLLO-UHFFFAOYSA-N	0	0	315.757	2.445	10	5		DEBERN
O=C1C=C(Nc2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccco1	ZINC000021945815	182299505	/nfs/dbraw/zinc/29/95/05/182299505.db2.gz	FAOHZGONTRBSNK-UHFFFAOYSA-N	0	0	313.269	2.053	10	5		DEBERN
COCCNc1ncnc(N(C)Cc2ccccc2)c1[N+](=O)[O-]	ZINC000040572949	183104332	/nfs/dbraw/zinc/10/43/32/183104332.db2.gz	QGHMDUQQJRYTNU-UHFFFAOYSA-N	0	0	317.349	2.080	10	5		DEBERN
CCOC(=O)c1cccc(Nc2ncnc(NC)c2[N+](=O)[O-])c1	ZINC000040595945	183106877	/nfs/dbraw/zinc/10/68/77/183106877.db2.gz	KCXQRTFUEPGRFT-UHFFFAOYSA-N	0	0	317.305	2.347	10	5		DEBERN
COc1ccc(C[S@@](=O)c2ccccc2[N+](=O)[O-])cc1N	ZINC000040969480	183152957	/nfs/dbraw/zinc/15/29/57/183152957.db2.gz	BYWCWVCRQUPMIY-NRFANRHFSA-N	0	0	306.343	2.493	10	5		DEBERN
Nc1ccc(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)cc1	ZINC000042193362	183240616	/nfs/dbraw/zinc/24/06/16/183240616.db2.gz	IFSFRTSPXGFMQH-UHFFFAOYSA-N	0	0	306.343	2.193	10	5		DEBERN
CC(C)CN(C(C)C)S(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1	ZINC000042594268	183289626	/nfs/dbraw/zinc/28/96/26/183289626.db2.gz	VUEUUDKNCXTJSE-UHFFFAOYSA-N	0	0	315.395	2.232	10	5		DEBERN
CC(C)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)C1	ZINC000159471952	197356353	/nfs/dbraw/zinc/35/63/53/197356353.db2.gz	KEDNQQGKYOPTMJ-JTQLQIEISA-N	0	0	316.354	2.401	10	5		DEBERN
COC(=O)c1cc(C)nc(NC2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-]	ZINC000553464622	291743557	/nfs/dbraw/zinc/74/35/57/291743557.db2.gz	GJJAKSXGPRNWIP-UWVGGRQHSA-N	0	0	323.349	2.453	10	5		DEBERN
CC[C@H](C)N(C)S(=O)(=O)c1ccc(NC)cc1[N+](=O)[O-]	ZINC000050651280	183794272	/nfs/dbraw/zinc/79/42/72/183794272.db2.gz	PLQZLTHAXVSMNW-VIFPVBQESA-N	0	0	301.368	2.056	10	5		DEBERN
CCN(C1CCCC1)S(=O)(=O)c1ccc(N)cc1[N+](=O)[O-]	ZINC000050656041	183795582	/nfs/dbraw/zinc/79/55/82/183795582.db2.gz	WJUQIRBXOJVIRP-UHFFFAOYSA-N	0	0	313.379	2.130	10	5		DEBERN
COC(=O)[C@H](COc1cc([N+](=O)[O-])ccc1Cl)NC(C)C	ZINC000069507974	184520633	/nfs/dbraw/zinc/52/06/33/184520633.db2.gz	PTQXIUWFAKWNFM-NSHDSACASA-N	0	0	316.741	2.167	10	5		DEBERN
Cc1cnn(CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1	ZINC000117815568	194850795	/nfs/dbraw/zinc/85/07/95/194850795.db2.gz	MQGQXEQJMNGJSY-UHFFFAOYSA-N	0	0	308.725	2.183	10	5		DEBERN
O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)[C@H]1CCOC1	ZINC000119609261	195001494	/nfs/dbraw/zinc/00/14/94/195001494.db2.gz	ADZACZTZFHJCMY-ZETCQYMHSA-N	0	0	315.123	2.332	10	5		DEBERN
C[C@H](NC(=O)c1cccc(NN)c1[N+](=O)[O-])c1ccsc1	ZINC000157140489	197165633	/nfs/dbraw/zinc/16/56/33/197165633.db2.gz	XGVPURRXMVHRCP-QMMMGPOBSA-N	0	0	306.347	2.433	10	5		DEBERN
O=C(CCc1cccc([N+](=O)[O-])c1)NCCOCC1CCC1	ZINC000558649272	291897950	/nfs/dbraw/zinc/89/79/50/291897950.db2.gz	ZFEUVNFUAHPTES-UHFFFAOYSA-N	0	0	306.362	2.460	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C	ZINC000155445123	197056016	/nfs/dbraw/zinc/05/60/16/197056016.db2.gz	ADEHKWZHVPOJJQ-WFASDCNBSA-N	0	0	305.378	2.362	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N(C(C)C)C1CCOCC1	ZINC000121660655	195325066	/nfs/dbraw/zinc/32/50/66/195325066.db2.gz	YMQIXLDGRYWTFV-UHFFFAOYSA-N	0	0	307.350	2.328	10	5		DEBERN
C[C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)CC1	ZINC000125588261	195765745	/nfs/dbraw/zinc/76/57/45/195765745.db2.gz	PSLSTGNFHAOFDT-QMMMGPOBSA-N	0	0	319.408	2.049	10	5		DEBERN
CC[C@@H](C)CN(CC)S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1	ZINC000125659089	195773591	/nfs/dbraw/zinc/77/35/91/195773591.db2.gz	KNHIJQBKDUUOGS-MRVPVSSYSA-N	0	0	321.424	2.295	10	5		DEBERN
C/C(=C\c1nc(C[S@](C)=O)no1)c1ccc([N+](=O)[O-])cc1	ZINC000356962219	533415767	/nfs/dbraw/zinc/41/57/67/533415767.db2.gz	LKDGDSVEUSMINP-OEAKIKGJSA-N	0	0	307.331	2.417	10	5		DEBERN
CCOc1ccc(C(=O)NCc2ccn(C)c2)cc1[N+](=O)[O-]	ZINC000357464320	133079349	/nfs/dbraw/zinc/07/93/49/133079349.db2.gz	IEWAKUYJWVJMRO-UHFFFAOYSA-N	0	0	303.318	2.262	10	5		DEBERN
Cc1ccccc1[C@@H](C)c1noc(Cn2cnc([N+](=O)[O-])n2)n1	ZINC000357703201	133094692	/nfs/dbraw/zinc/09/46/92/133094692.db2.gz	RYGVBBLXTSDNLQ-SNVBAGLBSA-N	0	0	314.305	2.078	10	5		DEBERN
O=[N+]([O-])c1ccc(N2CCO[C@H](COc3ccccc3)C2)nc1	ZINC000357743829	133097148	/nfs/dbraw/zinc/09/71/48/133097148.db2.gz	HSILMZMGGXDAOK-HNNXBMFYSA-N	0	0	315.329	2.274	10	5		DEBERN
COC[C@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F	ZINC000362205601	133216638	/nfs/dbraw/zinc/21/66/38/133216638.db2.gz	UFNCDACOWOUIDJ-NSHDSACASA-N	0	0	306.240	2.292	10	5		DEBERN
CCOc1ccc(C(=O)N(CC)C[C@@H](C)OC)cc1[N+](=O)[O-]	ZINC000362314010	133223060	/nfs/dbraw/zinc/22/30/60/133223060.db2.gz	MMKDICAYIHCDAM-LLVKDONJSA-N	0	0	310.350	2.491	10	5		DEBERN
Cc1sc(C(=O)NC[C@H](C)C(=O)OC(C)C)cc1[N+](=O)[O-]	ZINC000081188812	144583907	/nfs/dbraw/zinc/58/39/07/144583907.db2.gz	UVBTYFIZSSWVSA-QMMMGPOBSA-N	0	0	314.363	2.282	10	5		DEBERN
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H]1Cc2ccccc2[C@H]1O	ZINC000178546910	144860634	/nfs/dbraw/zinc/86/06/34/144860634.db2.gz	RASLCSPIDVGVNV-HQWTUQCVSA-N	0	0	324.336	2.383	10	5		DEBERN
O=[N+]([O-])c1cnc(N2CCO[C@@H](c3cccc(O)c3)C2)s1	ZINC000190337004	145041349	/nfs/dbraw/zinc/04/13/49/145041349.db2.gz	MLBPLNAQQITARR-LLVKDONJSA-N	0	0	307.331	2.335	10	5		DEBERN
CC(C)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000248470733	145156751	/nfs/dbraw/zinc/15/67/51/145156751.db2.gz	IIPOLIGNSSHFTF-XBFCOCLRSA-N	0	0	318.377	2.295	10	5		DEBERN
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1	ZINC000262533347	145290508	/nfs/dbraw/zinc/29/05/08/145290508.db2.gz	PYQPNSLDHOVVOZ-CDMKHQONSA-N	0	0	305.334	2.160	10	5		DEBERN
COC(=O)[C@@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1	ZINC000358823535	147213521	/nfs/dbraw/zinc/21/35/21/147213521.db2.gz	WFQDHNIEHIDGSQ-ZDUSSCGKSA-N	0	0	312.753	2.332	10	5		DEBERN
O=C(Nc1ccncc1[N+](=O)[O-])N[C@H]1CCCC(F)(F)C1	ZINC000359016097	147247040	/nfs/dbraw/zinc/24/70/40/147247040.db2.gz	FUBVOZYCWIYOBN-QMMMGPOBSA-N	0	0	300.265	2.111	10	5		DEBERN
Cc1c(CNC(=O)N(C)Cc2cnccn2)cccc1[N+](=O)[O-]	ZINC000359544352	147348146	/nfs/dbraw/zinc/34/81/46/147348146.db2.gz	GODNSFIZDMTQTJ-UHFFFAOYSA-N	0	0	315.333	2.035	10	5		DEBERN
Cc1cc(N[C@@H]2CCN(C3CCOCC3)C2=O)ccc1[N+](=O)[O-]	ZINC000371825730	148143824	/nfs/dbraw/zinc/14/38/24/148143824.db2.gz	YHFNCNIHFGVRBN-CQSZACIVSA-N	0	0	319.361	2.095	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1	ZINC000408134163	148566822	/nfs/dbraw/zinc/56/68/22/148566822.db2.gz	REIYCZZFYKDZLA-KGLIPLIRSA-N	0	0	321.377	2.167	10	5		DEBERN
O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000127716350	401746866	/nfs/dbraw/zinc/74/68/66/401746866.db2.gz	OJWNWCQGJYHURL-YOEHRIQHSA-N	0	0	318.373	2.291	10	5		DEBERN
O=[N+]([O-])c1ccccc1S(=O)(=O)NCCc1ccsc1	ZINC000013725143	401804101	/nfs/dbraw/zinc/80/41/01/401804101.db2.gz	MREUEDVVLIYBLW-UHFFFAOYSA-N	0	0	312.372	2.177	10	5		DEBERN
O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000128143030	401764530	/nfs/dbraw/zinc/76/45/30/401764530.db2.gz	SUWGOYCHOBQWCC-RHSMWYFYSA-N	0	0	318.373	2.291	10	5		DEBERN
Cc1c(NC(=O)N2CCN(C3CC3)CC2)cccc1[N+](=O)[O-]	ZINC000076331480	401790870	/nfs/dbraw/zinc/79/08/70/401790870.db2.gz	KBCZZSOPXMMUDJ-UHFFFAOYSA-N	0	0	304.350	2.215	10	5		DEBERN
CCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)[C@H](C)c1cccnc1	ZINC000115226863	401821517	/nfs/dbraw/zinc/82/15/17/401821517.db2.gz	VSYNIWRWEWUZAB-LLVKDONJSA-N	0	0	317.349	2.104	10	5		DEBERN
O=[N+]([O-])c1cccc(CNc2cc(-n3cnnn3)ccc2F)c1	ZINC000079723522	401880245	/nfs/dbraw/zinc/88/02/45/401880245.db2.gz	WSCPRMSMFBGUDM-UHFFFAOYSA-N	0	0	314.280	2.322	10	5		DEBERN
CN(C)C(=O)Sc1ccc(Cn2cnc([N+](=O)[O-])n2)cc1	ZINC000084460363	401905962	/nfs/dbraw/zinc/90/59/62/401905962.db2.gz	LYHMSRXVZOITMP-UHFFFAOYSA-N	0	0	307.335	2.008	10	5		DEBERN
Cc1sc(C(=O)NC[C@H](CO)c2ccccc2)cc1[N+](=O)[O-]	ZINC000086514351	401923584	/nfs/dbraw/zinc/92/35/84/401923584.db2.gz	DCSGKIQRLBIBNQ-GFCCVEGCSA-N	0	0	320.370	2.471	10	5		DEBERN
CCc1nnc(COc2ccc(C(C)=O)cc2[N+](=O)[O-])n1C	ZINC000119076467	401924116	/nfs/dbraw/zinc/92/41/16/401924116.db2.gz	YZNZZFSJUGBNGK-UHFFFAOYSA-N	0	0	304.306	2.067	10	5		DEBERN
CCOC(=O)CC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000089804809	401965220	/nfs/dbraw/zinc/96/52/20/401965220.db2.gz	XUIULBAYDWVDBR-LLVKDONJSA-N	0	0	308.334	2.365	10	5		DEBERN
CCOC(=O)c1n[nH]c2c1ccc(Br)c2[N+](=O)[O-]	ZINC000089197679	401938080	/nfs/dbraw/zinc/93/80/80/401938080.db2.gz	LYJFXKASNFGZCG-UHFFFAOYSA-N	0	0	314.095	2.410	10	5		DEBERN
Nc1c([N+](=O)[O-])cnn1Cc1coc(-c2ccc(F)cc2)n1	ZINC000152200153	402081857	/nfs/dbraw/zinc/08/18/57/402081857.db2.gz	NSEKNPIUZFCYFW-UHFFFAOYSA-N	0	0	303.253	2.216	10	5		DEBERN
CC(C)n1nnnc1CN(Cc1cccc([N+](=O)[O-])c1)C1CC1	ZINC000153282139	402137053	/nfs/dbraw/zinc/13/70/53/402137053.db2.gz	QDUNMHPDBDLQIO-UHFFFAOYSA-N	0	0	316.365	2.327	10	5		DEBERN
C[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccc(F)cc1F	ZINC000123344692	402122803	/nfs/dbraw/zinc/12/28/03/402122803.db2.gz	UUHBIWKJIJFDLX-SSDOTTSWSA-N	0	0	310.260	2.130	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1c1ncon1	ZINC000124112013	402164569	/nfs/dbraw/zinc/16/45/69/402164569.db2.gz	PTJCUKURFBXPFC-GFCCVEGCSA-N	0	0	317.305	2.049	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2cc[nH]n2)CC1	ZINC000125181834	402217666	/nfs/dbraw/zinc/21/76/66/402217666.db2.gz	OWKMCCWFJKCOHZ-UHFFFAOYSA-N	0	0	300.318	2.338	10	5		DEBERN
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N(CC(F)F)C1CC1	ZINC000106896275	402221326	/nfs/dbraw/zinc/22/13/26/402221326.db2.gz	SPFKSQNWVYGMRD-UHFFFAOYSA-N	0	0	324.280	2.152	10	5		DEBERN
O=[N+]([O-])c1ccc(N[C@@H]2CCc3ncnn3C2)c2ncccc12	ZINC000108947890	402265176	/nfs/dbraw/zinc/26/51/76/402265176.db2.gz	IPPCKCCBNHAOAZ-SNVBAGLBSA-N	0	0	310.317	2.161	10	5		DEBERN
CN(C)c1ncc(NC(=O)CCc2cccc([N+](=O)[O-])c2)cn1	ZINC000126210353	402269747	/nfs/dbraw/zinc/26/97/47/402269747.db2.gz	FXNREJVKRXUHOF-UHFFFAOYSA-N	0	0	315.333	2.022	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([C@@H](C)O)C1	ZINC000184567093	402276825	/nfs/dbraw/zinc/27/68/25/402276825.db2.gz	ABLLDHPMWZCRCG-QRUMOCGTSA-N	0	0	304.346	2.227	10	5		DEBERN
CC[C@H](NC(=O)NCCn1cccn1)c1cccc([N+](=O)[O-])c1	ZINC000176226712	402292668	/nfs/dbraw/zinc/29/26/68/402292668.db2.gz	DGOCCVGHXXFAKS-AWEZNQCLSA-N	0	0	317.349	2.242	10	5		DEBERN
CCOC(=O)[C@H](C)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000184714592	402294462	/nfs/dbraw/zinc/29/44/62/402294462.db2.gz	GMXWODOYJQKGOD-MNOVXSKESA-N	0	0	308.334	2.221	10	5		DEBERN
O=[N+]([O-])c1cc(CN2CCO[C@]3(CCOC3)C2)ccc1Cl	ZINC000185148399	402328110	/nfs/dbraw/zinc/32/81/10/402328110.db2.gz	FEWPIGFUKNMBIC-CQSZACIVSA-N	0	0	312.753	2.240	10	5		DEBERN
CN(C)c1ncccc1N(C)C(=O)c1csc([N+](=O)[O-])c1	ZINC000176787876	402337307	/nfs/dbraw/zinc/33/73/07/402337307.db2.gz	CQTBAOWGDAGNGK-UHFFFAOYSA-N	0	0	306.347	2.394	10	5		DEBERN
Cc1sc(C(=O)Nc2nnc3n2CCCC3)cc1[N+](=O)[O-]	ZINC000162391016	402418731	/nfs/dbraw/zinc/41/87/31/402418731.db2.gz	DMHXPPOHMCFUQM-UHFFFAOYSA-N	0	0	307.335	2.145	10	5		DEBERN
Cc1cc(=O)n(Cc2ccc(Br)cn2)cc1[N+](=O)[O-]	ZINC000177791576	402436149	/nfs/dbraw/zinc/43/61/49/402436149.db2.gz	QKLNUROGYNJRCQ-UHFFFAOYSA-N	0	0	324.134	2.271	10	5		DEBERN
C[C@@H]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H](C)C1	ZINC000163518390	402451906	/nfs/dbraw/zinc/45/19/06/402451906.db2.gz	RPAIOWAOLUGELZ-NEPJUHHUSA-N	0	0	308.382	2.421	10	5		DEBERN
Cc1cc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2O)ccc1[N+](=O)[O-]	ZINC000178322044	402484398	/nfs/dbraw/zinc/48/43/98/402484398.db2.gz	DKCCRUBROGIRGY-GDBMZVCRSA-N	0	0	312.325	2.291	10	5		DEBERN
Cc1c(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)cccc1[N+](=O)[O-]	ZINC000178342368	402486788	/nfs/dbraw/zinc/48/67/88/402486788.db2.gz	HQQWXRZTTFOQJG-ZBFHGGJFSA-N	0	0	312.325	2.291	10	5		DEBERN
C[C@H](CCNc1ncnc2ccc([N+](=O)[O-])cc21)[S@](C)=O	ZINC000167233855	402490531	/nfs/dbraw/zinc/49/05/31/402490531.db2.gz	KPAGZFVWYBOKJO-AOUSDQRYSA-N	0	0	308.363	2.107	10	5		DEBERN
Cc1c([C@@H](C)NCc2cc(C(N)=O)co2)cccc1[N+](=O)[O-]	ZINC000187710146	402509409	/nfs/dbraw/zinc/50/94/09/402509409.db2.gz	OZZZIVZCGRASKH-SNVBAGLBSA-N	0	0	303.318	2.446	10	5		DEBERN
O=C(N[C@@H]1CCCOC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1	ZINC000178868772	402548362	/nfs/dbraw/zinc/54/83/62/402548362.db2.gz	USPHKOJQYGKQKV-CYBMUJFWSA-N	0	0	319.361	2.448	10	5		DEBERN
CO[C@@H]1C[C@@H](c2nc(C)no2)N(c2ccccc2[N+](=O)[O-])C1	ZINC000190089559	402575012	/nfs/dbraw/zinc/57/50/12/402575012.db2.gz	NMQAMIXRLVZXOR-MFKMUULPSA-N	0	0	304.306	2.253	10	5		DEBERN
CO[C@H](C)c1cccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c1	ZINC000170728041	402517987	/nfs/dbraw/zinc/51/79/87/402517987.db2.gz	APJFRPGCXDZURE-SNVBAGLBSA-N	0	0	304.306	2.137	10	5		DEBERN
CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@@H](C)C1	ZINC000248485565	402592390	/nfs/dbraw/zinc/59/23/90/402592390.db2.gz	FBFZHKXJBMVGMR-AAEUAGOBSA-N	0	0	321.377	2.103	10	5		DEBERN
COC(=O)c1cc(C(=O)NC[C@H](C)C(C)C)cc([N+](=O)[O-])c1	ZINC000172456860	402657433	/nfs/dbraw/zinc/65/74/33/402657433.db2.gz	PCKIZAOTIQZWHS-JTQLQIEISA-N	0	0	308.334	2.403	10	5		DEBERN
CCn1c2ccc(F)cc2nc1Cn1ccc(=O)c([N+](=O)[O-])c1	ZINC000174097407	402726640	/nfs/dbraw/zinc/72/66/40/402726640.db2.gz	CJPCFXDKIWXJJL-UHFFFAOYSA-N	0	0	316.292	2.314	10	5		DEBERN
Cc1csc([C@@H]2COCCN2c2ncc([N+](=O)[O-])s2)n1	ZINC000192541382	402736048	/nfs/dbraw/zinc/73/60/48/402736048.db2.gz	AFLCIWXHIHMXFY-QMMMGPOBSA-N	0	0	312.376	2.394	10	5		DEBERN
C[C@H]1CCCC[C@@H]1OCCNc1ncc([N+](=O)[O-])cc1C(N)=O	ZINC000193989108	402780805	/nfs/dbraw/zinc/78/08/05/402780805.db2.gz	SJBLYBKYTMOTHH-GWCFXTLKSA-N	0	0	322.365	2.096	10	5		DEBERN
CN(C)c1noc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)n1	ZINC000192766762	402748807	/nfs/dbraw/zinc/74/88/07/402748807.db2.gz	AHIPPKRKFLFACP-UHFFFAOYSA-N	0	0	317.349	2.208	10	5		DEBERN
CCC1(NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CCC1	ZINC000183757977	402795381	/nfs/dbraw/zinc/79/53/81/402795381.db2.gz	AVNPEPHNFXUJSQ-UHFFFAOYSA-N	0	0	319.361	2.082	10	5		DEBERN
CC[C@@H](NC(=O)NCCn1ccnc1)c1cccc([N+](=O)[O-])c1	ZINC000175584217	402819397	/nfs/dbraw/zinc/81/93/97/402819397.db2.gz	SVXGXGPSVPDRBG-CQSZACIVSA-N	0	0	317.349	2.242	10	5		DEBERN
Cc1c(NC(=O)N[C@@H]2CCCn3ncnc32)cccc1[N+](=O)[O-]	ZINC000175871815	402839727	/nfs/dbraw/zinc/83/97/27/402839727.db2.gz	SINHBKPWALSSMN-LLVKDONJSA-N	0	0	316.321	2.151	10	5		DEBERN
CC[C@H]1CN(c2nc(C)ccc2[N+](=O)[O-])CCN1CC(F)F	ZINC000270845859	403231056	/nfs/dbraw/zinc/23/10/56/403231056.db2.gz	XNRRESOWXGIFHU-NSHDSACASA-N	0	0	314.336	2.464	10	5		DEBERN
NC(=O)c1cc([N+](=O)[O-])cnc1Oc1ccc2ncccc2c1	ZINC000301071050	403586446	/nfs/dbraw/zinc/58/64/46/403586446.db2.gz	FHKUTKVGWDVOPF-UHFFFAOYSA-N	0	0	310.269	2.429	10	5		DEBERN
O=c1c([N+](=O)[O-])c(Oc2cccnc2Cl)nc2ccccn12	ZINC000301294321	403612478	/nfs/dbraw/zinc/61/24/78/403612478.db2.gz	QTLSEIXJNXDUFY-UHFFFAOYSA-N	0	0	318.676	2.443	10	5		DEBERN
CCc1ncc2c(n1)CN(c1cc(CO)ccc1[N+](=O)[O-])CC2	ZINC000302030327	403706962	/nfs/dbraw/zinc/70/69/62/403706962.db2.gz	JRVYNPCMQFOAQC-UHFFFAOYSA-N	0	0	314.345	2.002	10	5		DEBERN
COC[C@](C)(NC(=O)Cc1ccccc1[N+](=O)[O-])C(F)(F)F	ZINC000362201035	403935721	/nfs/dbraw/zinc/93/57/21/403935721.db2.gz	FUTVVGJDOVEMPY-LBPRGKRZSA-N	0	0	320.267	2.221	10	5		DEBERN
C[C@@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC[S@@]1=O	ZINC000291779156	404516450	/nfs/dbraw/zinc/51/64/50/404516450.db2.gz	CJMVANGAHWNMEV-XFNZEKPQSA-N	0	0	319.386	2.490	10	5		DEBERN
CN(C(=O)c1nn(C)cc1[N+](=O)[O-])C1C2CC3CC(C2)CC1C3	ZINC000408036626	405094803	/nfs/dbraw/zinc/09/48/03/405094803.db2.gz	VKLVVVMIGPOWHV-UHFFFAOYSA-N	0	0	318.377	2.225	10	5		DEBERN
COCCCN(CCOC)C(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000079216309	292344713	/nfs/dbraw/zinc/34/47/13/292344713.db2.gz	RJJWQZLCTNNMHL-UHFFFAOYSA-N	0	0	316.379	2.090	10	5		DEBERN
COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@@H](CO)C1CC1	ZINC000450536449	405946434	/nfs/dbraw/zinc/94/64/34/405946434.db2.gz	AXYBCJHCMIXADE-NSHDSACASA-N	0	0	317.345	2.004	10	5		DEBERN
Cc1nn(C)cc1CC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C	ZINC000459939337	406067939	/nfs/dbraw/zinc/06/79/39/406067939.db2.gz	AQSCYQAKVQDOAF-UHFFFAOYSA-N	0	0	302.334	2.435	10	5		DEBERN
Cc1cc(C[C@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH]n1	ZINC000488970794	406365817	/nfs/dbraw/zinc/36/58/17/406365817.db2.gz	RVNUDWASXZEDCP-QMMMGPOBSA-N	0	0	306.297	2.126	10	5		DEBERN
CC(=O)N(C)c1cccc(NC(=O)c2cc([N+](=O)[O-])cn2C)c1	ZINC000525806388	406505323	/nfs/dbraw/zinc/50/53/23/406505323.db2.gz	BYEIOHMEDGCGQZ-UHFFFAOYSA-N	0	0	316.317	2.168	10	5		DEBERN
NC(=O)c1cc(OC(F)F)cc(Br)c1[N+](=O)[O-]	ZINC000575683213	406818111	/nfs/dbraw/zinc/81/81/11/406818111.db2.gz	MQFWDGNJYLBLOS-UHFFFAOYSA-N	0	0	311.038	2.058	10	5		DEBERN
CCOc1cc(I)c(C=O)cc1[N+](=O)[O-]	ZINC000575698467	406819596	/nfs/dbraw/zinc/81/95/96/406819596.db2.gz	RBYPOPJUYNHYRZ-UHFFFAOYSA-N	0	0	321.070	2.411	10	5		DEBERN
COC(=O)c1c(C)cc([N+](=O)[O-])cc1I	ZINC000575713943	406822098	/nfs/dbraw/zinc/82/20/98/406822098.db2.gz	AFKRKQNKMJGVRQ-UHFFFAOYSA-N	0	0	321.070	2.294	10	5		DEBERN
COC(=O)c1c(I)ccc(C)c1[N+](=O)[O-]	ZINC000575714992	406822799	/nfs/dbraw/zinc/82/27/99/406822799.db2.gz	PPOZTGKOEDXKFS-UHFFFAOYSA-N	0	0	321.070	2.294	10	5		DEBERN
COC(=O)c1c(C)ccc(I)c1[N+](=O)[O-]	ZINC000575714989	406822910	/nfs/dbraw/zinc/82/29/10/406822910.db2.gz	PNZCSGKYWNWEPP-UHFFFAOYSA-N	0	0	321.070	2.294	10	5		DEBERN
CC[C@@H]1CN(c2nc(C)cc(C)c2[N+](=O)[O-])C[C@@]2(CCOC2)O1	ZINC000408335375	287213769	/nfs/dbraw/zinc/21/37/69/287213769.db2.gz	HARGBUCGQXKLPI-CZUORRHYSA-N	0	0	321.377	2.381	10	5		DEBERN
CC(C)CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131181183	196147562	/nfs/dbraw/zinc/14/75/62/196147562.db2.gz	WSYDTVUOBJOSCG-UHFFFAOYSA-N	0	0	304.343	2.401	10	5		DEBERN
CC(C)Cn1ccnc1CNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000131449879	196169636	/nfs/dbraw/zinc/16/96/36/196169636.db2.gz	GMQRDOXJFJJEKE-UHFFFAOYSA-N	0	0	302.334	2.377	10	5		DEBERN
CCC[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(NCC)c1	ZINC000131513418	196176636	/nfs/dbraw/zinc/17/66/36/196176636.db2.gz	DQTADKCXOQICDJ-JTQLQIEISA-N	0	0	315.395	2.494	10	5		DEBERN
CC[C@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(NC)c1	ZINC000131878142	196206283	/nfs/dbraw/zinc/20/62/83/196206283.db2.gz	HKRNVASWHRYDPB-VIFPVBQESA-N	0	0	301.368	2.056	10	5		DEBERN
CCC[C@@H](CC)NS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1	ZINC000132028402	196220827	/nfs/dbraw/zinc/22/08/27/196220827.db2.gz	FXIJISQFYNTGFV-SECBINFHSA-N	0	0	301.368	2.034	10	5		DEBERN
CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(NC)c1)C(C)C	ZINC000132139316	196229980	/nfs/dbraw/zinc/22/99/80/196229980.db2.gz	TWVICELJGLJSPK-NSHDSACASA-N	0	0	315.395	2.349	10	5		DEBERN
CS(=O)(=O)[C@@H]1CCC[C@@H]1Nc1c(F)cc(F)cc1[N+](=O)[O-]	ZINC000132351995	196248221	/nfs/dbraw/zinc/24/82/21/196248221.db2.gz	ARXNPIGRTKJISO-GXSJLCMTSA-N	0	0	320.317	2.251	10	5		DEBERN
Cc1c(F)cc(S(=O)(=O)NC2CCCC2)cc1[N+](=O)[O-]	ZINC000132558648	196265594	/nfs/dbraw/zinc/26/55/94/196265594.db2.gz	OVWJILWESGAZDK-UHFFFAOYSA-N	0	0	302.327	2.263	10	5		DEBERN
C[C@@H]([NH3+])c1nc(C(=O)[N-]c2c(F)cccc2[N+](=O)[O-])cs1	ZINC000132588748	196268553	/nfs/dbraw/zinc/26/85/53/196268553.db2.gz	JRBJNBIKWFDSFI-ZCFIWIBFSA-N	0	0	310.310	2.462	10	5		DEBERN
CNc1cc(S(=O)(=O)N2CCC(C)(C)C2)ccc1[N+](=O)[O-]	ZINC000132946366	196299013	/nfs/dbraw/zinc/29/90/13/196299013.db2.gz	RLELBKXUAISFME-UHFFFAOYSA-N	0	0	313.379	2.057	10	5		DEBERN
O=C(NOCC(F)(F)F)c1c(F)ccc([N+](=O)[O-])c1F	ZINC000135227081	196455563	/nfs/dbraw/zinc/45/55/63/196455563.db2.gz	GAIDCUTUOKUSDJ-UHFFFAOYSA-N	0	0	300.139	2.097	10	5		DEBERN
COC(=O)c1ccc([N+](=O)[O-])c(NCCc2cscn2)c1	ZINC000136304086	196530988	/nfs/dbraw/zinc/53/09/88/196530988.db2.gz	IXZCXWWJXKENHY-UHFFFAOYSA-N	0	0	307.331	2.493	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1CN1CCN(CC(C)C)C(=O)C1	ZINC000190097312	225073735	/nfs/dbraw/zinc/07/37/35/225073735.db2.gz	IEQXYSMLRWZPEV-UHFFFAOYSA-N	0	0	305.378	2.203	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)CNc2ccccc2)n1	ZINC000191958970	225120795	/nfs/dbraw/zinc/12/07/95/225120795.db2.gz	GXZJQVYNAIJTCW-LLVKDONJSA-N	0	0	317.349	2.042	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccn(C)c1C	ZINC000195133500	424880527	/nfs/dbraw/zinc/88/05/27/424880527.db2.gz	KQBURMGAYHVLRQ-UHFFFAOYSA-N	0	0	303.318	2.180	10	5		DEBERN
CC(=O)N1CCN(c2ccncc2[N+](=O)[O-])CC12CCCCC2	ZINC000611221611	425079744	/nfs/dbraw/zinc/07/97/44/425079744.db2.gz	QDNAUISGMPQSGD-UHFFFAOYSA-N	0	0	318.377	2.361	10	5		DEBERN
O=[N+]([O-])c1cnc(NC[C@H](CO)C2CC2)c(Br)c1	ZINC000357786031	269040360	/nfs/dbraw/zinc/04/03/60/269040360.db2.gz	STWQWGNZGHLMEV-MRVPVSSYSA-N	0	0	316.155	2.183	10	5		DEBERN
CN(C)c1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1	ZINC000358569021	276907403	/nfs/dbraw/zinc/90/74/03/276907403.db2.gz	OCLDLLUWEDMXHV-UHFFFAOYSA-N	0	0	313.111	2.473	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC(=O)N3CCCC[C@@H]23)n1	ZINC000407975273	278665506	/nfs/dbraw/zinc/66/55/06/278665506.db2.gz	HYKAAXXJZGEMSI-NEPJUHHUSA-N	0	0	304.350	2.172	10	5		DEBERN
O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1C[C@H]2CC[C@@H](C1)O2	ZINC000408222477	280158303	/nfs/dbraw/zinc/15/83/03/280158303.db2.gz	QGYUGONABGZYDP-PHIMTYICSA-N	0	0	301.302	2.080	10	5		DEBERN
C[C@@H]1OCCC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1	ZINC000408333003	288865704	/nfs/dbraw/zinc/86/57/04/288865704.db2.gz	YPJCMNAILULCLR-NHYWBVRUSA-N	0	0	304.346	2.295	10	5		DEBERN
O=[N+]([O-])c1cccc(CS(=O)(=O)NCC(C2CC2)C2CC2)c1	ZINC000573168085	326027896	/nfs/dbraw/zinc/02/78/96/326027896.db2.gz	MRDWENJOPCMKBH-UHFFFAOYSA-N	0	0	324.402	2.450	10	5		DEBERN
CN(CCc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	ZINC000584596926	337374291	/nfs/dbraw/zinc/37/42/91/337374291.db2.gz	PULSSDRDOAPYPC-UHFFFAOYSA-N	0	0	320.370	2.458	10	5		DEBERN
CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC(C(=O)N(C)C)CC1	ZINC000360840501	534879115	/nfs/dbraw/zinc/87/91/15/534879115.db2.gz	AQQPEBVXVDQNMI-UHFFFAOYSA-N	0	0	319.361	2.102	10	5		DEBERN
CCC(=O)N1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1	ZINC000301189268	528330870	/nfs/dbraw/zinc/33/08/70/528330870.db2.gz	QXECYCCCHOOCFG-UHFFFAOYSA-N	0	0	314.345	2.202	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2cnn(C(C)(C)C)c2)n1	ZINC000191607855	529155279	/nfs/dbraw/zinc/15/52/79/529155279.db2.gz	CQYGUGFZBZTWEI-UHFFFAOYSA-N	0	0	306.326	2.015	10	5		DEBERN
CO[C@@H]1CC[C@@H]2OCCN(Cc3cccc([N+](=O)[O-])c3)[C@H]2C1	ZINC000247150050	536699527	/nfs/dbraw/zinc/69/95/27/536699527.db2.gz	XJHFUYYKFLSGMD-PMPSAXMXSA-N	0	0	306.362	2.363	10	5		DEBERN
Cc1nnc(COC(=O)c2ccc([N+](=O)[O-])cc2C)n1C1CC1	ZINC000179615641	625810263	/nfs/dbraw/zinc/81/02/63/625810263.db2.gz	TUFVXWWYUDXCAD-UHFFFAOYSA-N	0	0	316.317	2.495	10	5		DEBERN
CCOc1ccc(C(=O)NCCOC2CCC2)cc1[N+](=O)[O-]	ZINC000742815775	638097958	/nfs/dbraw/zinc/09/79/58/638097958.db2.gz	GNSWVVKNRXHSLD-UHFFFAOYSA-N	0	0	308.334	2.292	10	5		DEBERN
COC(=O)/C(C)=C\COC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1	ZINC000748180296	638523219	/nfs/dbraw/zinc/52/32/19/638523219.db2.gz	RJSHHJRMCJLBCT-UITAMQMPSA-N	0	0	318.285	2.352	10	5		DEBERN
C/C(=C\C(=O)O[C@@H](C)C(=O)NC1CC1)c1ccc([N+](=O)[O-])cc1	ZINC000752343791	639173919	/nfs/dbraw/zinc/17/39/19/639173919.db2.gz	ABPCXIVQFUKULB-USKTWTLRSA-N	0	0	318.329	2.208	10	5		DEBERN
C/C(=C\C(=O)O[C@H](C(N)=O)C(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000752356330	639174531	/nfs/dbraw/zinc/17/45/31/639174531.db2.gz	UOQJZRNXINDZIP-PLWJUESGSA-N	0	0	306.318	2.051	10	5		DEBERN
C/C(=C\C(=O)NCc1nonc1C)c1ccc([N+](=O)[O-])cc1	ZINC000752407204	639181441	/nfs/dbraw/zinc/18/14/41/639181441.db2.gz	HTASAOHIDLYJGF-VQHVLOKHSA-N	0	0	302.290	2.006	10	5		DEBERN
C/C(=C/C(=O)N[C@@H](C)c1ncon1)c1ccc([N+](=O)[O-])cc1	ZINC000752701364	639209796	/nfs/dbraw/zinc/20/97/96/639209796.db2.gz	MWGBNEBWMCKXGP-RNKPRXRFSA-N	0	0	302.290	2.259	10	5		DEBERN
CC(C)[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1F)C(=O)N(C)C	ZINC000729708713	640829857	/nfs/dbraw/zinc/82/98/57/640829857.db2.gz	YSQYYKLPYBCLRR-LBPRGKRZSA-N	0	0	312.297	2.004	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccc[n+]([O-])c1	ZINC000802186221	645494551	/nfs/dbraw/zinc/49/45/51/645494551.db2.gz	YDBJUZZCQJIVPW-FMIVXFBMSA-N	0	0	314.297	2.375	10	5		DEBERN
Cc1nn(C)c(C(=O)OCc2coc(C(C)(C)C)n2)c1[N+](=O)[O-]	ZINC000802277517	645511104	/nfs/dbraw/zinc/51/11/04/645511104.db2.gz	GHGFYSQJMHJCMB-UHFFFAOYSA-N	0	0	322.321	2.279	10	5		DEBERN
Cc1cc(F)cc(C(=O)N2CCC([C@@H](C)O)CC2)c1[N+](=O)[O-]	ZINC000150742584	646086080	/nfs/dbraw/zinc/08/60/80/646086080.db2.gz	FCNPJTPJIWHNQN-SNVBAGLBSA-N	0	0	310.325	2.275	10	5		DEBERN
CC[C@H](CCO)Nc1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-]	ZINC000172642155	646745535	/nfs/dbraw/zinc/74/55/35/646745535.db2.gz	FJZSLNWYCDQIFE-SMYYYNMVSA-N	0	0	308.334	2.354	10	5		DEBERN
CC(C)COCCC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1	ZINC000731712784	647504268	/nfs/dbraw/zinc/50/42/68/647504268.db2.gz	SNVRCAXVOYVKGM-UHFFFAOYSA-N	0	0	309.318	2.383	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)OC[C@@H]1CC(=O)N(C2CC2)C1	ZINC000086056784	684011409	/nfs/dbraw/zinc/01/14/09/684011409.db2.gz	SNSORBFLLXKVBD-LLVKDONJSA-N	0	0	318.329	2.071	10	5		DEBERN
Cc1ccc([C@@H](C)OC(=O)[C@H]2CCNC(=O)C2)cc1[N+](=O)[O-]	ZINC000122735471	684118449	/nfs/dbraw/zinc/11/84/49/684118449.db2.gz	IOGITQBDEZZNNF-PWSUYJOCSA-N	0	0	306.318	2.034	10	5		DEBERN
CCC(=O)N1CC[C@H](C(=O)O[C@H](C)c2ccc([N+](=O)[O-])cc2)C1	ZINC000123181911	684122637	/nfs/dbraw/zinc/12/26/37/684122637.db2.gz	CLPRKGJGGTYKBE-YPMHNXCESA-N	0	0	320.345	2.458	10	5		DEBERN
CC(=O)OC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1	ZINC000133350497	684218498	/nfs/dbraw/zinc/21/84/98/684218498.db2.gz	ZAIYWNUXJZDHKB-UHFFFAOYSA-N	0	0	306.318	2.071	10	5		DEBERN
C[C@H](O)c1ccn(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n1	ZINC000133797337	684222865	/nfs/dbraw/zinc/22/28/65/684222865.db2.gz	VNIUFLNWLTWLRX-QMMMGPOBSA-N	0	0	324.724	2.137	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccnn1C	ZINC000588458442	777222089	/nfs/dbraw/zinc/22/20/89/777222089.db2.gz	JHPOJFLKIXAWKZ-VAWYXSNFSA-N	0	0	314.345	2.091	10	5		DEBERN
Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC=C(Br)C1	ZINC000404405607	802019160	/nfs/dbraw/zinc/01/91/60/802019160.db2.gz	RHXGBQYVMWUASB-UHFFFAOYSA-N	0	0	314.139	2.058	10	5		DEBERN
C[C@H](Cn1cccn1)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000038103169	1078217111	/nfs/dbraw/zinc/21/71/11/1078217111.db2.gz	ADGSILOTPHCFLQ-SECBINFHSA-N	0	0	308.725	2.263	10	5		DEBERN
Cc1cc(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)n(C)n1	ZINC000050699960	1078475541	/nfs/dbraw/zinc/47/55/41/1078475541.db2.gz	VWMZEXIETCBURG-UHFFFAOYSA-N	0	0	309.713	2.125	10	5		DEBERN
CC(C)(C)OC(=O)N1C[C@H](NCc2ccc([N+](=O)[O-])cc2)CO1	ZINC000703312871	1086493669	/nfs/dbraw/zinc/49/36/69/1086493669.db2.gz	UQJBRODPLXFWMF-LBPRGKRZSA-N	0	0	323.349	2.235	10	5		DEBERN
C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])cc2Br)CCN1C	ZINC000719627425	1089320311	/nfs/dbraw/zinc/32/03/11/1089320311.db2.gz	VCOQGXOZJVTHDS-GMSGAONNSA-N	0	0	315.171	2.257	10	5		DEBERN
CC(=O)CC1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CCC1	ZINC000345613905	1141898649	/nfs/dbraw/zinc/89/86/49/1141898649.db2.gz	RGYJOXGUDKBYJZ-UHFFFAOYSA-N	0	0	319.361	2.272	10	5		DEBERN
Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@H]([C@]1(C)CO1)O3	ZINC000095630293	185382919	/nfs/dbraw/zinc/38/29/19/185382919.db2.gz	YXQGLAPCZDYVLL-BEFAXECRSA-N	0	0	323.348	2.490	10	5	endogenous,in-man	DEBERN
COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@H](C)O[C@@H](C)C1	ZINC000278797533	214409998	/nfs/dbraw/zinc/40/99/98/214409998.db2.gz	XTWJUNDPDXIKHT-QWRGUYRKSA-N	0	0	308.334	2.303	10	5		DEBERN
O=[N+]([O-])c1cc(Br)cnc1NCCc1c[nH]cn1	ZINC000087544497	185228242	/nfs/dbraw/zinc/22/82/42/185228242.db2.gz	BQALPIWZBXFFJJ-UHFFFAOYSA-N	0	0	312.127	2.130	10	5		DEBERN
Nc1cc(F)ccc1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000165500179	197676876	/nfs/dbraw/zinc/67/68/76/197676876.db2.gz	QKTLHWKXEKSYFO-UHFFFAOYSA-N	0	0	310.306	2.290	10	5		DEBERN
COC(=O)[C@@H](C)Nc1cc(Br)ccc1[N+](=O)[O-]	ZINC000087834162	185232907	/nfs/dbraw/zinc/23/29/07/185232907.db2.gz	JEKMBGMXBPATDO-ZCFIWIBFSA-N	0	0	303.112	2.331	10	5		DEBERN
CC[C@H]1CO[C@H](C)CN1C(=O)c1ccnc(Cl)c1[N+](=O)[O-]	ZINC000088802850	185266240	/nfs/dbraw/zinc/26/62/40/185266240.db2.gz	NMVGBFKSIWGFOY-BDAKNGLRSA-N	0	0	313.741	2.283	10	5		DEBERN
COC(=O)[C@H](C)C[S@](=O)Cc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000090105173	185282422	/nfs/dbraw/zinc/28/24/22/185282422.db2.gz	UFRCVFYUTISMSM-ZPWHCFADSA-N	0	0	319.766	2.306	10	5		DEBERN
COCc1cncc(C(=O)NCCc2ccccc2[N+](=O)[O-])c1	ZINC000613184834	362031402	/nfs/dbraw/zinc/03/14/02/362031402.db2.gz	AIDKVMBAEQEHIV-UHFFFAOYSA-N	0	0	315.329	2.109	10	5		DEBERN
Cc1c(N)cccc1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000166028009	197686952	/nfs/dbraw/zinc/68/69/52/197686952.db2.gz	SKUDHWXIRWHYOQ-UHFFFAOYSA-N	0	0	306.343	2.459	10	5		DEBERN
COC(=O)c1cncc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)c1	ZINC000179281905	282222726	/nfs/dbraw/zinc/22/27/26/282222726.db2.gz	HOFKQJJCQZDFNT-UHFFFAOYSA-N	0	0	315.285	2.337	10	5		DEBERN
Cn1c(CO)cnc1Sc1c(F)c(F)ccc1[N+](=O)[O-]	ZINC000090244044	185288200	/nfs/dbraw/zinc/28/82/00/185288200.db2.gz	UTOURPZPRHYBOS-UHFFFAOYSA-N	0	0	301.274	2.250	10	5		DEBERN
O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CCCc2cc(F)ccc21	ZINC000179452530	282226370	/nfs/dbraw/zinc/22/63/70/282226370.db2.gz	QYSNTFXUZKAEMU-AWEZNQCLSA-N	0	0	318.308	2.124	10	5		DEBERN
CCCC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)OC	ZINC000184260177	282249921	/nfs/dbraw/zinc/24/99/21/282249921.db2.gz	UJIQXZLBWKXOCF-VIFPVBQESA-N	0	0	314.363	2.426	10	5		DEBERN
CCc1nc(C(C)(C)NC(=O)c2csc([N+](=O)[O-])c2)no1	ZINC000441720227	529713478	/nfs/dbraw/zinc/71/34/78/529713478.db2.gz	XKDWZRRFGAWTKY-UHFFFAOYSA-N	0	0	310.335	2.267	10	5		DEBERN
COC(=O)c1cc(NCC2(CCO)CC2)cc(C)c1[N+](=O)[O-]	ZINC000186162123	282268692	/nfs/dbraw/zinc/26/86/92/282268692.db2.gz	BLURKVTVHCSRPP-UHFFFAOYSA-N	0	0	308.334	2.264	10	5		DEBERN
COC(=O)[C@@H]1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1	ZINC000170490128	197777835	/nfs/dbraw/zinc/77/78/35/197777835.db2.gz	ORQBMVBBOINRKR-YSKGHYERSA-N	0	0	318.329	2.020	10	5		DEBERN
CCc1ccc(OS(=O)(=O)[C@H]2CCO[C@H]2C)c([N+](=O)[O-])c1	ZINC000135681044	539515660	/nfs/dbraw/zinc/51/56/60/539515660.db2.gz	QKLXOMKWFRVWAK-ZANVPECISA-N	0	0	315.347	2.043	10	5		DEBERN
Cc1c(NC(=O)N2C[C@H](C(N)=O)CC[C@H]2C)cccc1[N+](=O)[O-]	ZINC000119487513	185751795	/nfs/dbraw/zinc/75/17/95/185751795.db2.gz	AKUFVNAKKATGBA-MWLCHTKSSA-N	0	0	320.349	2.021	10	5		DEBERN
CCNc1cccc(S(=O)(=O)N(C)C(C)C)c1[N+](=O)[O-]	ZINC000126888994	185900808	/nfs/dbraw/zinc/90/08/08/185900808.db2.gz	XVJCUOPYUGYROE-UHFFFAOYSA-N	0	0	301.368	2.056	10	5		DEBERN
Cc1nc([N+](=O)[O-])cn1CCC(=O)NC/C=C\c1ccccc1	ZINC000255110803	282616370	/nfs/dbraw/zinc/61/63/70/282616370.db2.gz	JWBMWPFFCPTVTO-YVMONPNESA-N	0	0	314.345	2.319	10	5		DEBERN
O=C(NC1(CO)CC1)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1	ZINC000142986628	186033353	/nfs/dbraw/zinc/03/33/53/186033353.db2.gz	CLOLZUFRUGEVPD-UHFFFAOYSA-N	0	0	305.117	2.156	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1C[S@](=O)c1cccc(N)c1	ZINC000150126314	186054434	/nfs/dbraw/zinc/05/44/34/186054434.db2.gz	KFEWIFOWBAQLEF-OAQYLSRUSA-N	0	0	306.343	2.493	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(CC(=O)N(C)[C@H]2CCCC[C@@H]2C)c1=O	ZINC000155815162	186115084	/nfs/dbraw/zinc/11/50/84/186115084.db2.gz	LWPOPUCTFKVULJ-FZMZJTMJSA-N	0	0	321.377	2.102	10	5		DEBERN
CCNc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CC(C)C1	ZINC000163897981	186141425	/nfs/dbraw/zinc/14/14/25/186141425.db2.gz	POYGGSXNPNRGTE-UHFFFAOYSA-N	0	0	313.379	2.103	10	5		DEBERN
Cc1c(C(=O)N[C@@H]2CCCOC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]	ZINC000171677514	197965210	/nfs/dbraw/zinc/96/52/10/197965210.db2.gz	ORBFXPUBBAXQLV-SNVBAGLBSA-N	0	0	323.305	2.029	10	5		DEBERN
COC(C)(C)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1	ZINC000171666343	197963774	/nfs/dbraw/zinc/96/37/74/197963774.db2.gz	QVIPBGGCMPLZGQ-UHFFFAOYSA-N	0	0	304.306	2.348	10	5		DEBERN
Cc1ccc(S(=O)(=O)N2CCS[C@@H](C)C2)cc1[N+](=O)[O-]	ZINC000171712307	197971680	/nfs/dbraw/zinc/97/16/80/197971680.db2.gz	BCTKFFUSGZZYBH-JTQLQIEISA-N	0	0	316.404	2.029	10	5		DEBERN
Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2N)cc1	ZINC000034236420	354160948	/nfs/dbraw/zinc/16/09/48/354160948.db2.gz	LRNSLLSTVZMBCR-UHFFFAOYSA-N	0	0	307.331	2.286	10	5		DEBERN
O=[N+]([O-])c1ccc(Nc2cnn(-c3ncccn3)c2)c(F)c1	ZINC000078019855	355241006	/nfs/dbraw/zinc/24/10/06/355241006.db2.gz	HULOCWPPQYKVTJ-UHFFFAOYSA-N	0	0	300.253	2.453	10	5		DEBERN
CCc1nn(C)c(N2CCC(c3cnn(C)c3)CC2)c1[N+](=O)[O-]	ZINC000092829460	355653210	/nfs/dbraw/zinc/65/32/10/355653210.db2.gz	SQIJJAVAMXLNEC-UHFFFAOYSA-N	0	0	318.381	2.008	10	5		DEBERN
Cc1ccc(C[C@@H](C)N(C)C(=O)Cn2ccc([N+](=O)[O-])n2)cc1	ZINC000128885726	355830654	/nfs/dbraw/zinc/83/06/54/355830654.db2.gz	GWUVBULMZHZJOJ-CYBMUJFWSA-N	0	0	316.361	2.189	10	5		DEBERN
CN(C)c1nc(CN2CCc3ccc([N+](=O)[O-])cc32)ns1	ZINC000182761267	356144214	/nfs/dbraw/zinc/14/42/14/356144214.db2.gz	WROUQABKAHRNRW-UHFFFAOYSA-N	0	0	305.363	2.075	10	5		DEBERN
COC[C@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC(C)(C)O1	ZINC000585780726	357353325	/nfs/dbraw/zinc/35/33/25/357353325.db2.gz	JKJKVLXZVQSRJC-LLVKDONJSA-N	0	0	321.377	2.193	10	5		DEBERN
Cc1noc([C@@H]2CCN(c3nc(C)cc(C)c3[N+](=O)[O-])C2)n1	ZINC000585785928	357355261	/nfs/dbraw/zinc/35/52/61/357355261.db2.gz	HJXQPGWZUMOVOV-LLVKDONJSA-N	0	0	303.322	2.292	10	5		DEBERN
CCN(CC(F)F)S(=O)(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000184881529	199776288	/nfs/dbraw/zinc/77/62/88/199776288.db2.gz	XWHIKIYHKPCBNP-UHFFFAOYSA-N	0	0	308.306	2.012	10	5		DEBERN
CCCNC(=O)[C@H]1CCCN(c2cc(F)ccc2[N+](=O)[O-])C1	ZINC000302822831	283383839	/nfs/dbraw/zinc/38/38/39/283383839.db2.gz	TVHZMULXCIROMQ-NSHDSACASA-N	0	0	309.341	2.477	10	5		DEBERN
O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)N1CCOCC1	ZINC000005945621	181299343	/nfs/dbraw/zinc/29/93/43/181299343.db2.gz	YYSVSQVPJYIYPR-UHFFFAOYSA-N	0	0	308.319	2.069	10	5		DEBERN
Cc1ccc([C@@H](C)NC(=O)N(C)CC2(CO)CC2)cc1[N+](=O)[O-]	ZINC000187282531	200088488	/nfs/dbraw/zinc/08/84/88/200088488.db2.gz	MABQURULGPPSGG-GFCCVEGCSA-N	0	0	321.377	2.378	10	5		DEBERN
CC1(C)CC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)O1	ZINC000187342428	200098119	/nfs/dbraw/zinc/09/81/19/200098119.db2.gz	IEDTWYGOXNBOJJ-SECBINFHSA-N	0	0	311.313	2.004	10	5		DEBERN
COc1cc(C(=O)N2CC[C@H](C)[C@@H](OC)C2)ccc1[N+](=O)[O-]	ZINC000187817770	200161673	/nfs/dbraw/zinc/16/16/73/200161673.db2.gz	CSKKPRATCNXKJG-HZMBPMFUSA-N	0	0	308.334	2.100	10	5		DEBERN
COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[C@H](OC)C2)c1	ZINC000187774074	200154720	/nfs/dbraw/zinc/15/47/20/200154720.db2.gz	XKWQUPWXHKZTJF-QMTHXVAHSA-N	0	0	308.334	2.100	10	5		DEBERN
Nc1ccc([N+](=O)[O-])c(N2CCO[C@@H](c3nccs3)C2)c1	ZINC000192787718	200940433	/nfs/dbraw/zinc/94/04/33/200940433.db2.gz	USFPWDRJNAHGTJ-GFCCVEGCSA-N	0	0	306.347	2.211	10	5		DEBERN
Nc1ccc([N+](=O)[O-])c(N2CCC(Nc3cccnn3)CC2)c1	ZINC000193410864	201047712	/nfs/dbraw/zinc/04/77/12/201047712.db2.gz	NNXGBDIDMGOKBJ-UHFFFAOYSA-N	0	0	314.349	2.048	10	5		DEBERN
O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCN2CCCC[C@@H]2C1	ZINC000193622438	201089241	/nfs/dbraw/zinc/08/92/41/201089241.db2.gz	INULLEMDWGVNCB-GFCCVEGCSA-N	0	0	307.325	2.044	10	5		DEBERN
O=[N+]([O-])c1cnc(N[C@H]2CCC[C@H](O)C2)c(Br)c1	ZINC000610512801	361413591	/nfs/dbraw/zinc/41/35/91/361413591.db2.gz	VUOATDSSNJGDGH-CBAPKCEASA-N	0	0	316.155	2.468	10	5		DEBERN
COC(=O)CC1(NC(=O)Cc2cccc([N+](=O)[O-])c2)CCCC1	ZINC000193915778	201144897	/nfs/dbraw/zinc/14/48/97/201144897.db2.gz	ZRIKUIZQGQFVJC-UHFFFAOYSA-N	0	0	320.345	2.129	10	5		DEBERN
CC(C)c1[nH]nc(C(=O)Nc2ccc3nccn3c2)c1[N+](=O)[O-]	ZINC000610922984	361492807	/nfs/dbraw/zinc/49/28/07/361492807.db2.gz	AHPOLXQRLRAOSA-UHFFFAOYSA-N	0	0	314.305	2.341	10	5		DEBERN
CCCC(=O)N[C@H]1CCCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1	ZINC000611616298	361645525	/nfs/dbraw/zinc/64/55/25/361645525.db2.gz	VBIORBAZYZYUDH-ZDUSSCGKSA-N	0	0	320.393	2.492	10	5		DEBERN
C[C@@H]1CN(C(=O)c2cc(Cl)c(NN)c([N+](=O)[O-])c2)C[C@H]1C	ZINC000092112933	193160826	/nfs/dbraw/zinc/16/08/26/193160826.db2.gz	WSCRURGEJMFXJU-HTQZYQBOSA-N	0	0	312.757	2.262	10	5		DEBERN
O=C(N[C@@H]1Cc2ccccc2[C@H]1O)c1ccc(F)cc1[N+](=O)[O-]	ZINC000178684811	284149945	/nfs/dbraw/zinc/14/99/45/284149945.db2.gz	WWXPFXMMCUIMCL-UKRRQHHQSA-N	0	0	316.288	2.122	10	5		DEBERN
C[C@](N)(C(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C(F)(F)F	ZINC000094232732	193352697	/nfs/dbraw/zinc/35/26/97/193352697.db2.gz	PGBYLJANNUDZLX-VIFPVBQESA-N	0	0	311.647	2.466	10	5		DEBERN
O=C1CC[C@@H](Nc2cc(Cl)c(Cl)cc2[N+](=O)[O-])C(=O)N1	ZINC000095024854	193413552	/nfs/dbraw/zinc/41/35/52/193413552.db2.gz	UVFQIFNAWOEWND-SSDOTTSWSA-N	0	0	318.116	2.119	10	5		DEBERN
CCCNS(=O)(=O)c1cc([N+](=O)[O-])c(NCC)cc1C	ZINC000094780398	193397792	/nfs/dbraw/zinc/39/77/92/193397792.db2.gz	NQKHCAAGQHIQNL-UHFFFAOYSA-N	0	0	301.368	2.023	10	5		DEBERN
O=C(N[C@H]1Cc2ccccc2[C@H]1O)c1ccc([N+](=O)[O-])cc1F	ZINC000178313682	284264019	/nfs/dbraw/zinc/26/40/19/284264019.db2.gz	WVBHEXDTNFNUFQ-LSDHHAIUSA-N	0	0	316.288	2.122	10	5		DEBERN
O=[N+]([O-])c1cc(Cl)c(F)cc1N[C@@H]1C=CS(=O)(=O)C1	ZINC000097356543	193710157	/nfs/dbraw/zinc/71/01/57/193710157.db2.gz	YRCIHFKOYNMURG-ZCFIWIBFSA-N	0	0	306.702	2.110	10	5		DEBERN
O=[N+]([O-])c1cc(Br)c(F)cc1N1CC[C@@H](CO)C1	ZINC000097368577	193711962	/nfs/dbraw/zinc/71/19/62/193711962.db2.gz	GRYJSIJCFVRCAQ-SSDOTTSWSA-N	0	0	319.130	2.315	10	5		DEBERN
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000160904724	197448904	/nfs/dbraw/zinc/44/89/04/197448904.db2.gz	KHNBYYSBMHHKSU-OCCSQVGLSA-N	0	0	321.377	2.184	10	5		DEBERN
CO[C@H]1CC[C@@H](NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1	ZINC000530355559	284407150	/nfs/dbraw/zinc/40/71/50/284407150.db2.gz	QXILHNDDCCULFN-OLZOCXBDSA-N	0	0	319.361	2.230	10	5		DEBERN
CCC[C@@H]1C[C@@H]1Nc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-]	ZINC000267754449	206261248	/nfs/dbraw/zinc/26/12/48/206261248.db2.gz	YBEFYVXJHCADQJ-SKDRFNHKSA-N	0	0	313.379	2.103	10	5		DEBERN
Cc1ccc2c([N+](=O)[O-])cn(S(=O)(=O)c3ccccc3)c2n1	ZINC000039004946	183013215	/nfs/dbraw/zinc/01/32/15/183013215.db2.gz	XJYSYSSDOANQGL-UHFFFAOYSA-N	0	0	317.326	2.490	10	5		DEBERN
CNc1ncnc(Oc2ccc(C(=O)OC)cc2)c1[N+](=O)[O-]	ZINC000040587547	183105819	/nfs/dbraw/zinc/10/58/19/183105819.db2.gz	JBYLBXKDYGPDTG-UHFFFAOYSA-N	0	0	304.262	2.005	10	5		DEBERN
CCN(CC)c1ncnc(NCc2cccnc2)c1[N+](=O)[O-]	ZINC000040585374	183106295	/nfs/dbraw/zinc/10/62/95/183106295.db2.gz	GMHVTDPOSACRIN-UHFFFAOYSA-N	0	0	302.338	2.238	10	5		DEBERN
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCc2ccc[nH]2)c1	ZINC000041571691	183205465	/nfs/dbraw/zinc/20/54/65/183205465.db2.gz	QSCLEXVKEVWTOO-UHFFFAOYSA-N	0	0	315.738	2.055	10	5		DEBERN
CCC(CC)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000104751893	194034697	/nfs/dbraw/zinc/03/46/97/194034697.db2.gz	JDLLHAQHLSMWAO-UHFFFAOYSA-N	0	0	316.379	2.318	10	5		DEBERN
C[C@H](O)CCC(=O)Nc1cc([N+](=O)[O-])ccc1Br	ZINC000159528822	197360934	/nfs/dbraw/zinc/36/09/34/197360934.db2.gz	ZVCKPNMINIVSGH-ZETCQYMHSA-N	0	0	317.139	2.457	10	5		DEBERN
CC1CCC(NS(=O)(=O)c2cc(N)ccc2[N+](=O)[O-])CC1	ZINC000050635358	183792645	/nfs/dbraw/zinc/79/26/45/183792645.db2.gz	QRGQREOSSDDIKX-UHFFFAOYSA-N	0	0	313.379	2.034	10	5		DEBERN
CCCN(C)S(=O)(=O)c1ccc(NCC)cc1[N+](=O)[O-]	ZINC000050652586	183794538	/nfs/dbraw/zinc/79/45/38/183794538.db2.gz	BXSIORRMSOGXQF-UHFFFAOYSA-N	0	0	301.368	2.057	10	5		DEBERN
COc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(C(N)=O)c1	ZINC000051969754	183843810	/nfs/dbraw/zinc/84/38/10/183843810.db2.gz	LBOZPFZSXHZYTK-UHFFFAOYSA-N	0	0	302.286	2.281	10	5		DEBERN
COC(=O)[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)C	ZINC000111010523	194381530	/nfs/dbraw/zinc/38/15/30/194381530.db2.gz	WAINWPAJJLWAIE-NSHDSACASA-N	0	0	314.725	2.176	10	5		DEBERN
CC(C)(C)[C@H](O)CNC(=O)c1cccc(Cl)c1[N+](=O)[O-]	ZINC000269012464	207165003	/nfs/dbraw/zinc/16/50/03/207165003.db2.gz	HOKGDXVPKHMUGW-SNVBAGLBSA-N	0	0	300.742	2.385	10	5		DEBERN
CN(CC1CCC1)C(=O)c1cc(Cl)c(NN)c([N+](=O)[O-])c1	ZINC000061487310	184171600	/nfs/dbraw/zinc/17/16/00/184171600.db2.gz	VCAFBUNUBBICGY-UHFFFAOYSA-N	0	0	312.757	2.406	10	5		DEBERN
CCOc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nn1	ZINC000061978171	184199374	/nfs/dbraw/zinc/19/93/74/184199374.db2.gz	YENSFUUOOJXNBP-UHFFFAOYSA-N	0	0	306.253	2.175	10	5		DEBERN
C[C@H](O)C(C)(C)Nc1ncc([N+](=O)[O-])cc1Br	ZINC000158789688	197302087	/nfs/dbraw/zinc/30/20/87/197302087.db2.gz	RXXDBNYWPGEOFU-LURJTMIESA-N	0	0	304.144	2.324	10	5		DEBERN
CCCC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1	ZINC000157577996	197198483	/nfs/dbraw/zinc/19/84/83/197198483.db2.gz	YAJWVASEQGRSTC-ZETCQYMHSA-N	0	0	307.397	2.096	10	5		DEBERN
CNc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)C2CCC2)c1	ZINC000157176667	197167821	/nfs/dbraw/zinc/16/78/21/197167821.db2.gz	UGWQEAANVRQHQB-VIFPVBQESA-N	0	0	313.379	2.103	10	5		DEBERN
CCNc1cc(NC[C@@H]2CCCS2(=O)=O)cc([N+](=O)[O-])c1	ZINC000155522395	197063329	/nfs/dbraw/zinc/06/33/29/197063329.db2.gz	GTRHWBFXTWJJKK-ZDUSSCGKSA-N	0	0	313.379	2.016	10	5		DEBERN
COCCC(C)(C)CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	ZINC000302159984	533178442	/nfs/dbraw/zinc/17/84/42/533178442.db2.gz	OQHSJIWOECMDIC-UHFFFAOYSA-N	0	0	323.349	2.400	10	5		DEBERN
CC[C@@H](C)[C@@H](C)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000362611005	133241552	/nfs/dbraw/zinc/24/15/52/133241552.db2.gz	PNQYJPNZYGPXKE-GHMZBOCLSA-N	0	0	322.361	2.459	10	5		DEBERN
O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@H](C1)C2O	ZINC000172360667	144819079	/nfs/dbraw/zinc/81/90/79/144819079.db2.gz	FIYXWTDPYZZQOZ-XFLKPENQSA-N	0	0	324.764	2.481	10	5		DEBERN
CSc1cccc(C(=O)NC[C@@H]2CCC[N@@H+]2C)c1[N+](=O)[O-]	ZINC000188083652	145007137	/nfs/dbraw/zinc/00/71/37/145007137.db2.gz	UQAVJTFAZRUAPY-JTQLQIEISA-N	0	0	309.391	2.141	10	5		DEBERN
CSc1cccc(C(=O)NCCn2cc(C)cn2)c1[N+](=O)[O-]	ZINC000188166791	145008247	/nfs/dbraw/zinc/00/82/47/145008247.db2.gz	NETDNYQIFIXEGU-UHFFFAOYSA-N	0	0	320.374	2.252	10	5		DEBERN
Cc1nc(CC2CC2)sc1C(=O)Nc1c([N+](=O)[O-])cnn1C	ZINC000189209834	145024157	/nfs/dbraw/zinc/02/41/57/145024157.db2.gz	BZOGUCDSAPVTCT-UHFFFAOYSA-N	0	0	321.362	2.298	10	5		DEBERN
O=[N+]([O-])c1cnc(N2CCO[C@H](c3cccc(O)c3)C2)s1	ZINC000190336985	145041211	/nfs/dbraw/zinc/04/12/11/145041211.db2.gz	MLBPLNAQQITARR-NSHDSACASA-N	0	0	307.331	2.335	10	5		DEBERN
COC(=O)Cn1ncc(NCc2ccc([N+](=O)[O-])cc2C)c1C	ZINC000192985785	145080959	/nfs/dbraw/zinc/08/09/59/145080959.db2.gz	CKAPDMMQNQZTDA-UHFFFAOYSA-N	0	0	318.333	2.193	10	5		DEBERN
Cc1cc(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)c(N)c([N+](=O)[O-])c1	ZINC000246591947	145107463	/nfs/dbraw/zinc/10/74/63/145107463.db2.gz	BBAKEDNTWKHZJB-ZKYQVNSYSA-N	0	0	319.361	2.173	10	5		DEBERN
Cc1nn(C)c(C(=O)NC/C=C\c2ccccc2)c1[N+](=O)[O-]	ZINC000255511309	145204456	/nfs/dbraw/zinc/20/44/56/145204456.db2.gz	UAMFWOOFKDDVAE-TWGQIWQCSA-N	0	0	300.318	2.080	10	5		DEBERN
Cc1ccc([C@@H](C)NC(=O)[C@@H]2CC(F)(F)CN2)cc1[N+](=O)[O-]	ZINC000263081314	145323251	/nfs/dbraw/zinc/32/32/51/145323251.db2.gz	XOTXEWIKAAJRCQ-KOLCDFICSA-N	0	0	313.304	2.078	10	5		DEBERN
O=[N+]([O-])c1ccc(N2CC[C@@H](OCc3ccncc3)C2)cn1	ZINC000358900670	147226964	/nfs/dbraw/zinc/22/69/64/147226964.db2.gz	IWLMIYCVBINNFF-CQSZACIVSA-N	0	0	300.318	2.180	10	5		DEBERN
Cc1ccc([C@@H](C)NC(=O)NC[C@H](CO)C2CC2)cc1[N+](=O)[O-]	ZINC000358903721	147228179	/nfs/dbraw/zinc/22/81/79/147228179.db2.gz	POSHVFOQOIVHND-BXUZGUMPSA-N	0	0	321.377	2.282	10	5		DEBERN
O=[N+]([O-])c1ccc(Cl)c(CN2CCOC[C@H]2c2ncon2)c1	ZINC000369834813	147955874	/nfs/dbraw/zinc/95/58/74/147955874.db2.gz	LSYWAOHEPRFFSL-LBPRGKRZSA-N	0	0	324.724	2.205	10	5		DEBERN
C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](C2CC2)C1	ZINC000375327735	148359119	/nfs/dbraw/zinc/35/91/19/148359119.db2.gz	KKDAULABOOMMDE-NHYWBVRUSA-N	0	0	319.361	2.033	10	5		DEBERN
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](C2CC2)C1	ZINC000375327734	148359275	/nfs/dbraw/zinc/35/92/75/148359275.db2.gz	KKDAULABOOMMDE-IAQYHMDHSA-N	0	0	319.361	2.033	10	5		DEBERN
O=C([C@@H]1CCCCS1)N1CCc2ncc([N+](=O)[O-])cc2C1	ZINC000408180541	148572483	/nfs/dbraw/zinc/57/24/83/148572483.db2.gz	SAPBEXCEGDITEZ-ZDUSSCGKSA-N	0	0	307.375	2.160	10	5		DEBERN
O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC[C@@H]1O	ZINC000077157518	401804434	/nfs/dbraw/zinc/80/44/34/401804434.db2.gz	GJRBGBAZIPBURU-JSGCOSHPSA-N	0	0	322.361	2.031	10	5		DEBERN
CSCCCCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000128838416	401794369	/nfs/dbraw/zinc/79/43/69/401794369.db2.gz	QVZIPRADQGTKQC-UHFFFAOYSA-N	0	0	318.420	2.157	10	5		DEBERN
CSCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000128857931	401795086	/nfs/dbraw/zinc/79/50/86/401795086.db2.gz	HQLJNQJJAYYEDF-UHFFFAOYSA-N	0	0	304.393	2.016	10	5		DEBERN
C[C@@H]1[C@H](C)SCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000118440185	401898887	/nfs/dbraw/zinc/89/88/87/401898887.db2.gz	UMAFEYRVZYHGPT-SFYZADRCSA-N	0	0	322.433	2.171	10	5		DEBERN
CCOC(=O)CC[C@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1	ZINC000089892939	401971071	/nfs/dbraw/zinc/97/10/71/401971071.db2.gz	WIBRGYGBODAVLB-NSHDSACASA-N	0	0	323.349	2.126	10	5		DEBERN
C[C@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1	ZINC000046973378	401977111	/nfs/dbraw/zinc/97/71/11/401977111.db2.gz	GKSPAVMMBZOHSP-FZMZJTMJSA-N	0	0	307.350	2.304	10	5		DEBERN
Cc1nn(CC(=O)NC23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-]	ZINC000143186761	401990732	/nfs/dbraw/zinc/99/07/32/401990732.db2.gz	WJZJRCAZUNGEFS-UHFFFAOYSA-N	0	0	318.377	2.185	10	5		DEBERN
CCOC(=O)C(C)(C(=O)OCC)c1ccc([N+](=O)[O-])cc1F	ZINC000095348260	402025710	/nfs/dbraw/zinc/02/57/10/402025710.db2.gz	PYVFGADNEKZFDO-UHFFFAOYSA-N	0	0	313.281	2.118	10	5		DEBERN
O=[N+]([O-])c1ccccc1OCCN1CCCC[C@H]1c1nc[nH]n1	ZINC000121785025	402051926	/nfs/dbraw/zinc/05/19/26/402051926.db2.gz	UAVOCASNENRXOX-ZDUSSCGKSA-N	0	0	317.349	2.319	10	5		DEBERN
O=[N+]([O-])c1cccc(CS(=O)(=O)N(CC(F)F)C2CC2)c1	ZINC000153407107	402143361	/nfs/dbraw/zinc/14/33/61/402143361.db2.gz	HFLARZJHUOMZBQ-UHFFFAOYSA-N	0	0	320.317	2.154	10	5		DEBERN
O=C(NCCC1=CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000123740623	402144066	/nfs/dbraw/zinc/14/40/66/402144066.db2.gz	LZOXNWBXUFDYKQ-UHFFFAOYSA-N	0	0	303.318	2.150	10	5		DEBERN
CCCC(=O)N[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1	ZINC000101564796	402149139	/nfs/dbraw/zinc/14/91/39/402149139.db2.gz	VVFTXEVZMDWPDJ-CQSZACIVSA-N	0	0	305.378	2.476	10	5		DEBERN
CC(C)Cn1ccnc1CNC(=O)Nc1ccncc1[N+](=O)[O-]	ZINC000124678721	402191652	/nfs/dbraw/zinc/19/16/52/402191652.db2.gz	UCTZSWRCEQXSGW-UHFFFAOYSA-N	0	0	318.337	2.164	10	5		DEBERN
NC(=O)c1cccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1	ZINC000102634247	402169252	/nfs/dbraw/zinc/16/92/52/402169252.db2.gz	SSEFLIRJOKTONY-UHFFFAOYSA-N	0	0	324.296	2.427	10	5		DEBERN
CN(Cc1ccc(F)cc1)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O	ZINC000102792191	402172185	/nfs/dbraw/zinc/17/21/85/402172185.db2.gz	ZNPVTAZZLWVGJN-UHFFFAOYSA-N	0	0	305.265	2.107	10	5		DEBERN
O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[C@@]2(CCOC2)C1	ZINC000153824132	402172234	/nfs/dbraw/zinc/17/22/34/402172234.db2.gz	SZQHCAZQXKHDSR-SQRWCISFSA-N	0	0	302.330	2.247	10	5		DEBERN
C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1	ZINC000126020364	402260311	/nfs/dbraw/zinc/26/03/11/402260311.db2.gz	XZBZNZKWPJYVHA-HZMBPMFUSA-N	0	0	324.768	2.156	10	5		DEBERN
Nc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(C(F)F)cc1	ZINC000185403185	402350767	/nfs/dbraw/zinc/35/07/67/402350767.db2.gz	OYCJPCHTQMCDAT-UHFFFAOYSA-N	0	0	322.271	2.440	10	5		DEBERN
Nc1c(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)cccc1[N+](=O)[O-]	ZINC000176691173	402328718	/nfs/dbraw/zinc/32/87/18/402328718.db2.gz	ROXVNWCMCYXORK-GFCCVEGCSA-N	0	0	315.333	2.268	10	5		DEBERN
Cc1sc(C(=O)N2CCC[C@@H]2Cn2ccnc2)cc1[N+](=O)[O-]	ZINC000177794109	402437107	/nfs/dbraw/zinc/43/71/07/402437107.db2.gz	XKBIACWLINZDPS-LLVKDONJSA-N	0	0	320.374	2.466	10	5		DEBERN
O=[N+]([O-])c1ccc(N2CCN(c3cccnn3)CC2)c(Cl)c1	ZINC000170641000	402509791	/nfs/dbraw/zinc/50/97/91/402509791.db2.gz	ZWECBDXIIHKMFQ-UHFFFAOYSA-N	0	0	319.752	2.365	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C(=O)NCc2ccco2)n1	ZINC000178198434	402469893	/nfs/dbraw/zinc/46/98/93/402469893.db2.gz	WJGSUEXQZMYTGW-JTQLQIEISA-N	0	0	304.306	2.008	10	5		DEBERN
CO[C@@H]1CC[C@H]2OCCN(C(=O)c3ccccc3[N+](=O)[O-])[C@H]2C1	ZINC000245698811	402480907	/nfs/dbraw/zinc/48/09/07/402480907.db2.gz	KYFVTNODOJNAGB-BYCMXARLSA-N	0	0	320.345	2.003	10	5		DEBERN
COC(=O)c1cncc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1	ZINC000178396284	402493446	/nfs/dbraw/zinc/49/34/46/402493446.db2.gz	XSJULYAGRFJFOW-UHFFFAOYSA-N	0	0	315.285	2.337	10	5		DEBERN
CC1(C)CC[C@@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])O1	ZINC000187358772	402495862	/nfs/dbraw/zinc/49/58/62/402495862.db2.gz	YSCOUQKEAFSRRN-LBPRGKRZSA-N	0	0	321.377	2.471	10	5		DEBERN
CNC(=O)[C@H](NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)C(C)C	ZINC000178958650	402559498	/nfs/dbraw/zinc/55/94/98/402559498.db2.gz	XYRRCJDDWUYKGT-GFCCVEGCSA-N	0	0	322.365	2.104	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1nc2cccnc2[nH]1	ZINC000190236386	402586577	/nfs/dbraw/zinc/58/65/77/402586577.db2.gz	LQNGFMUUZATUCE-UHFFFAOYSA-N	0	0	311.301	2.105	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)N1CCCCC1=O	ZINC000190301056	402591236	/nfs/dbraw/zinc/59/12/36/402591236.db2.gz	PXYIVMDTZOIIAQ-GFCCVEGCSA-N	0	0	319.361	2.034	10	5		DEBERN
CN(Cc1ccc(Cl)cc1)C(=O)c1cc([N+](=O)[O-])cnc1N	ZINC000180494206	402617843	/nfs/dbraw/zinc/61/78/43/402617843.db2.gz	OWWRAUJKIUIVFB-UHFFFAOYSA-N	0	0	320.736	2.498	10	5		DEBERN
C[C@@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])C1CCCC1	ZINC000172138988	402641918	/nfs/dbraw/zinc/64/19/18/402641918.db2.gz	NRKPKPQXQFFCPE-LLVKDONJSA-N	0	0	320.345	2.481	10	5		DEBERN
COc1ccc(S(=O)(=O)NC[C@H](C)C(C)C)c([N+](=O)[O-])c1	ZINC000172666640	402669476	/nfs/dbraw/zinc/66/94/76/402669476.db2.gz	GXLBVHBSRPCNNC-JTQLQIEISA-N	0	0	316.379	2.174	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@@H](SC)C2)n1	ZINC000191621057	402682397	/nfs/dbraw/zinc/68/23/97/402682397.db2.gz	JENVESBHJOFAQM-NXEZZACHSA-N	0	0	312.395	2.215	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)CCC(C)C	ZINC000174476436	402743016	/nfs/dbraw/zinc/74/30/16/402743016.db2.gz	XODDJYIGZJKTGR-OAHLLOKOSA-N	0	0	309.366	2.215	10	5		DEBERN
CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H](C(=O)OC(C)(C)C)C1	ZINC000192667021	402743301	/nfs/dbraw/zinc/74/33/01/402743301.db2.gz	PFBITZVQATTWBT-NSHDSACASA-N	0	0	324.381	2.288	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC(=O)OC(C)(C)C	ZINC000194872196	402819902	/nfs/dbraw/zinc/81/99/02/402819902.db2.gz	ZXXMQUBQSKBCTJ-UHFFFAOYSA-N	0	0	308.334	2.317	10	5		DEBERN
Cc1sc(C(=O)Nc2c(C)ccn(C)c2=O)cc1[N+](=O)[O-]	ZINC000175690769	402825647	/nfs/dbraw/zinc/82/56/47/402825647.db2.gz	ZBJHTHKVUZMLKG-UHFFFAOYSA-N	0	0	307.331	2.224	10	5		DEBERN
COc1cc(CN2C[C@H]3CCC[C@@H](C2)C3O)c([N+](=O)[O-])cc1F	ZINC000184217236	402827724	/nfs/dbraw/zinc/82/77/24/402827724.db2.gz	FUNZVAKWZCEVCL-SOSAQKQKSA-N	0	0	324.352	2.335	10	5		DEBERN
CC(C)c1nnc2n1C[C@H](Nc1ccc([N+](=O)[O-])cn1)CC2	ZINC000195314452	402841788	/nfs/dbraw/zinc/84/17/88/402841788.db2.gz	RLAHJGRAUGJXIO-SNVBAGLBSA-N	0	0	302.338	2.132	10	5		DEBERN
CC(C)(C)[C@H](O)CNC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000268715180	403108993	/nfs/dbraw/zinc/10/89/93/403108993.db2.gz	MVZKQPMEYRIHRH-LLVKDONJSA-N	0	0	300.742	2.385	10	5		DEBERN
Cc1cc(N2CCO[C@@]3(CCCOC3)C2)c(F)cc1[N+](=O)[O-]	ZINC000292656402	403373366	/nfs/dbraw/zinc/37/33/66/403373366.db2.gz	PPMAGJJUJAIJEX-HNNXBMFYSA-N	0	0	310.325	2.428	10	5		DEBERN
CC(=O)c1ccc(N[C@H](CO)C[C@@H](O)C(C)(C)C)c([N+](=O)[O-])c1	ZINC000286301944	403494588	/nfs/dbraw/zinc/49/45/88/403494588.db2.gz	DRZZSBHRHJLCPV-SWLSCSKDSA-N	0	0	324.377	2.367	10	5		DEBERN
Cc1cc(N[C@H]2CCc3nc(C(C)C)nn3C2)ncc1[N+](=O)[O-]	ZINC000301428448	403628743	/nfs/dbraw/zinc/62/87/43/403628743.db2.gz	IOULISPHMUOFLM-NSHDSACASA-N	0	0	316.365	2.440	10	5		DEBERN
CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCCSCC2)s1	ZINC000301912544	403699527	/nfs/dbraw/zinc/69/95/27/403699527.db2.gz	DHOVYPNKKFFLHI-UHFFFAOYSA-N	0	0	322.433	2.003	10	5		DEBERN
CC(=O)c1ccc(NC[C@H](CO)c2cccnc2)c([N+](=O)[O-])c1	ZINC000340932280	403703374	/nfs/dbraw/zinc/70/33/74/403703374.db2.gz	KMRIXYRMBMARIS-CQSZACIVSA-N	0	0	315.329	2.380	10	5		DEBERN
C/C=C/C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCC	ZINC000361539217	405121713	/nfs/dbraw/zinc/12/17/13/405121713.db2.gz	UVSOUYLTZOJWIG-LQPUYASZSA-N	0	0	306.318	2.223	10	5		DEBERN
Cc1ccc(S(=O)(=O)N2CCCC3(CC3)C2)c([N+](=O)[O-])c1	ZINC000408290710	405164156	/nfs/dbraw/zinc/16/41/56/405164156.db2.gz	RJAUREJQXGEWBN-UHFFFAOYSA-N	0	0	310.375	2.468	10	5		DEBERN
Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](CO)c1ccccc1	ZINC000446248518	405376395	/nfs/dbraw/zinc/37/63/95/405376395.db2.gz	ODZFNBCLGJRJLZ-AWEZNQCLSA-N	0	0	314.341	2.409	10	5		DEBERN
CC(=O)c1cc(N(C)[C@H]2CCCCN(C)C2=O)ccc1[N+](=O)[O-]	ZINC000601229495	405898145	/nfs/dbraw/zinc/89/81/45/405898145.db2.gz	RRFQDXMBJQJQRP-HNNXBMFYSA-N	0	0	319.361	2.245	10	5		DEBERN
COC(=O)Cc1ccc(NCCc2cc(C)no2)c([N+](=O)[O-])c1	ZINC000450534760	405946653	/nfs/dbraw/zinc/94/66/53/405946653.db2.gz	HVZLQWMWKKDIRR-UHFFFAOYSA-N	0	0	319.317	2.261	10	5		DEBERN
CO[C@@H]1CC[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1	ZINC000471672263	406107659	/nfs/dbraw/zinc/10/76/59/406107659.db2.gz	UGQSYRKBDZONJA-TZMCWYRMSA-N	0	0	317.345	2.233	10	5		DEBERN
O=C([C@@H]1CCC[C@@H](O)C1)N1CCc2c(cccc2[N+](=O)[O-])C1	ZINC000525892197	406516516	/nfs/dbraw/zinc/51/65/16/406516516.db2.gz	RRYQRESITIGOHL-DGCLKSJQSA-N	0	0	304.346	2.031	10	5		DEBERN
NC(=O)c1ccc([N+](=O)[O-])c(OC(F)F)c1Br	ZINC000575683131	406817855	/nfs/dbraw/zinc/81/78/55/406817855.db2.gz	KLVZQFHZUJSAJL-UHFFFAOYSA-N	0	0	311.038	2.058	10	5		DEBERN
COC(=O)c1c(C)cc(I)cc1[N+](=O)[O-]	ZINC000575714137	406822196	/nfs/dbraw/zinc/82/21/96/406822196.db2.gz	DSAAJIDPLUIHQI-UHFFFAOYSA-N	0	0	321.070	2.294	10	5		DEBERN
COc1ccc(C=O)c([N+](=O)[O-])c1I	ZINC000575728060	406825137	/nfs/dbraw/zinc/82/51/37/406825137.db2.gz	NHLYVBNDQFYABQ-UHFFFAOYSA-N	0	0	307.043	2.021	10	5		DEBERN
CN(Cc1ccoc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131197788	196148699	/nfs/dbraw/zinc/14/86/99/196148699.db2.gz	LQTDHKSUOOFFTH-UHFFFAOYSA-N	0	0	314.294	2.148	10	5		DEBERN
CN(C(=O)c1ccnc(Cl)c1[N+](=O)[O-])[C@@H]1CCCC[C@H]1O	ZINC000131407192	196166209	/nfs/dbraw/zinc/16/62/09/196166209.db2.gz	QQUPSCADFKVJRJ-NXEZZACHSA-N	0	0	313.741	2.019	10	5		DEBERN
CC[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1	ZINC000131879032	196206802	/nfs/dbraw/zinc/20/68/02/196206802.db2.gz	SVLLZJLYLGGNNT-JTQLQIEISA-N	0	0	313.379	2.130	10	5		DEBERN
CCNc1cc(S(=O)(=O)NCC(C)(C)C)ccc1[N+](=O)[O-]	ZINC000132067748	196224323	/nfs/dbraw/zinc/22/43/23/196224323.db2.gz	SPTWKMFJKLXFLP-UHFFFAOYSA-N	0	0	315.395	2.351	10	5		DEBERN
C[C@@H]1CCCN(S(=O)(=O)N(C)c2cccc([N+](=O)[O-])c2)C1	ZINC000132355889	196248765	/nfs/dbraw/zinc/24/87/65/196248765.db2.gz	NADOQVVEVWMOLG-LLVKDONJSA-N	0	0	313.379	2.008	10	5		DEBERN
CCCNc1cc(NCCCS(C)(=O)=O)cc([N+](=O)[O-])c1	ZINC000132940479	196298171	/nfs/dbraw/zinc/29/81/71/196298171.db2.gz	NDDQTXVWOCRBIU-UHFFFAOYSA-N	0	0	315.395	2.263	10	5		DEBERN
CC[C@@H](C)CN(CC)S(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1	ZINC000132940053	196298191	/nfs/dbraw/zinc/29/81/91/196298191.db2.gz	RSSHZEXCPIJEMP-SNVBAGLBSA-N	0	0	315.395	2.234	10	5		DEBERN
CC(C)CONS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000134121680	196363639	/nfs/dbraw/zinc/36/36/39/196363639.db2.gz	WUSIFBWWBRPXDY-UHFFFAOYSA-N	0	0	308.743	2.114	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3ccccc3)C2)n1	ZINC000191581370	225113496	/nfs/dbraw/zinc/11/34/96/225113496.db2.gz	BKWSDANZNRVWBB-ZDUSSCGKSA-N	0	0	314.345	2.441	10	5		DEBERN
O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1ccc2cc[nH]c2c1	ZINC000194241034	225176573	/nfs/dbraw/zinc/17/65/73/225176573.db2.gz	ZETQXZQRBUIPQM-UHFFFAOYSA-N	0	0	314.305	2.094	10	5		DEBERN
C[S@](=O)c1ccc(CNc2cc(CO)ccc2[N+](=O)[O-])cc1	ZINC000302060913	230071816	/nfs/dbraw/zinc/07/18/16/230071816.db2.gz	RYZDJVQNRDBOEN-QFIPXVFZSA-N	0	0	320.370	2.437	10	5		DEBERN
CC(C)(C)n1cnc(NC(=O)NCc2ccccc2[N+](=O)[O-])n1	ZINC000542433613	421821758	/nfs/dbraw/zinc/82/17/58/421821758.db2.gz	RCXFEGOARUSQTM-UHFFFAOYSA-N	0	0	318.337	2.263	10	5		DEBERN
COC(=O)c1cc(C)nc(NC[C@H]2CCC[C@H]2C)c1[N+](=O)[O-]	ZINC000553559542	424877655	/nfs/dbraw/zinc/87/76/55/424877655.db2.gz	NMAZJQISJWFHLL-MWLCHTKSSA-N	0	0	307.350	2.933	10	5		DEBERN
O=[N+]([O-])c1cnc2ccc(N[C@H]3C[C@H](c4ccccc4)C3)nn21	ZINC000376004785	424893506	/nfs/dbraw/zinc/89/35/06/424893506.db2.gz	UFQSURYTCPUKLO-BETUJISGSA-N	0	0	309.329	2.996	10	5		DEBERN
O=[N+]([O-])c1cc(Br)cnc1NC[C@H](CO)C1CC1	ZINC000357773461	269040550	/nfs/dbraw/zinc/04/05/50/269040550.db2.gz	HEUGSXJAYDXDOS-MRVPVSSYSA-N	0	0	316.155	2.183	10	5		DEBERN
CC(C)(C)[C@@H](O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1	ZINC000133435994	282016042	/nfs/dbraw/zinc/01/60/42/282016042.db2.gz	SSCGPQUVMRHDNY-NSHDSACASA-N	0	0	300.742	2.385	10	5		DEBERN
CSCCCC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000135536242	282075771	/nfs/dbraw/zinc/07/57/71/282075771.db2.gz	KPKZEHVGONJPLE-NSHDSACASA-N	0	0	324.406	2.146	10	5		DEBERN
CCc1ccc(C(=O)N2CCCC[C@H]2C(=O)OC)cc1[N+](=O)[O-]	ZINC000081827771	288530820	/nfs/dbraw/zinc/53/08/20/288530820.db2.gz	KWZARUYZHARGOU-ZDUSSCGKSA-N	0	0	320.345	2.325	10	5		DEBERN
CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2c1nc(C)cc(C)c1[N+](=O)[O-]	ZINC000408110988	294698385	/nfs/dbraw/zinc/69/83/85/294698385.db2.gz	XVEYMTHNDNXGLS-SZWZKDINSA-N	0	0	303.362	2.466	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](C(=O)N3CCCC3)C2)n1	ZINC000408343686	301851742	/nfs/dbraw/zinc/85/17/42/301851742.db2.gz	ROTOWZWOYFNLFM-CYBMUJFWSA-N	0	0	318.377	2.137	10	5		DEBERN
Cn1cc([C@]2(C)CN(c3ccccc3[N+](=O)[O-])CCO2)cn1	ZINC000268413780	302942674	/nfs/dbraw/zinc/94/26/74/302942674.db2.gz	UKSCKOGJXXMUGC-HNNXBMFYSA-N	0	0	302.334	2.080	10	5		DEBERN
CNc1cc(Nc2ccc(OCCOC)cc2[N+](=O)[O-])ncn1	ZINC000584635797	337376078	/nfs/dbraw/zinc/37/60/78/337376078.db2.gz	WYXQKQOGLLDFNR-UHFFFAOYSA-N	0	0	319.321	2.195	10	5		DEBERN
CC(=O)N(C)c1cccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)c1	ZINC000362709335	534743144	/nfs/dbraw/zinc/74/31/44/534743144.db2.gz	UCVDFFBRDQPLTE-UHFFFAOYSA-N	0	0	302.290	2.158	10	5		DEBERN
Cc1ccn(C)c(=O)c1NC(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000175708584	534853584	/nfs/dbraw/zinc/85/35/84/534853584.db2.gz	HQGHWUAHYKGXMH-UHFFFAOYSA-N	0	0	301.302	2.163	10	5		DEBERN
CCCN(C[C@@H]1CCCCO1)C(=O)c1nn(CC)cc1[N+](=O)[O-]	ZINC000191603666	528121969	/nfs/dbraw/zinc/12/19/69/528121969.db2.gz	QBCLSXXCAMFBJG-LBPRGKRZSA-N	0	0	324.381	2.233	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccn(CCC(C)C)n2)n1	ZINC000191674853	529154464	/nfs/dbraw/zinc/15/44/64/529154464.db2.gz	PXMCCGWVOILFHD-UHFFFAOYSA-N	0	0	320.353	2.306	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC)c(F)c2)n1	ZINC000191543265	529154899	/nfs/dbraw/zinc/15/48/99/529154899.db2.gz	GNLDILSHPOQFST-UHFFFAOYSA-N	0	0	308.269	2.211	10	5		DEBERN
CC(C)[C@H]1N(C(=O)Cn2cnc([N+](=O)[O-])n2)CC12CCCCC2	ZINC000458191408	535271356	/nfs/dbraw/zinc/27/13/56/535271356.db2.gz	OGWMRDHVBYMWBF-CYBMUJFWSA-N	0	0	321.381	2.004	10	5		DEBERN
CC[C@H]1CN(c2ccc([N+](=O)[O-])nc2)[C@@H](CC)CN1C(C)=O	ZINC000450365065	536161930	/nfs/dbraw/zinc/16/19/30/536161930.db2.gz	MWERSPJVZNZUCL-STQMWFEESA-N	0	0	306.366	2.216	10	5		DEBERN
COC[C@@](C)(NC(=O)Cc1ccc([N+](=O)[O-])cc1)C(F)(F)F	ZINC000362204539	536803413	/nfs/dbraw/zinc/80/34/13/536803413.db2.gz	OOGMOKVHECFOQR-GFCCVEGCSA-N	0	0	320.267	2.221	10	5		DEBERN
Cc1ccc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2=O)cc1	ZINC000804769039	623233857	/nfs/dbraw/zinc/23/38/57/623233857.db2.gz	DWYLCLXTWBIRNN-UHFFFAOYSA-N	0	0	312.329	2.151	10	5		DEBERN
CC(=CC(=O)N[C@H](C)c1nnc(C)[nH]1)c1ccc([N+](=O)[O-])cc1	ZINC000804811771	623253531	/nfs/dbraw/zinc/25/35/31/623253531.db2.gz	CJDGZTHRLPAASN-AAXQSMANSA-N	0	0	315.333	2.302	10	5		DEBERN
CCOc1ccccc1[C@H](C)OC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000050207192	623856939	/nfs/dbraw/zinc/85/69/39/623856939.db2.gz	YBZQIAYTPNBFHV-NSHDSACASA-N	0	0	319.317	2.494	10	5		DEBERN
CC(C)(C)OC(=O)NC[C@@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1	ZINC000735487549	633512976	/nfs/dbraw/zinc/51/29/76/633512976.db2.gz	NGZULZLZDYBXMZ-NSHDSACASA-N	0	0	322.365	2.341	10	5		DEBERN
O=[N+]([O-])c1cc(Cl)c(N2CCC[C@](O)(CO)C2)c(Cl)c1	ZINC000313665700	633732426	/nfs/dbraw/zinc/73/24/26/633732426.db2.gz	HUSDKPPMFNRFES-GFCCVEGCSA-N	0	0	321.160	2.225	10	5		DEBERN
CC[C@H](O)C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-]	ZINC000162232096	636562112	/nfs/dbraw/zinc/56/21/12/636562112.db2.gz	FXGNJAGHACNUFV-JTQLQIEISA-N	0	0	303.156	2.218	10	5		DEBERN
COC(=O)[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C	ZINC000227754126	636614049	/nfs/dbraw/zinc/61/40/49/636614049.db2.gz	IVSKWPHBRHQWAG-JOYOIKCWSA-N	0	0	312.753	2.489	10	5		DEBERN
O=C(Cn1cnc([N+](=O)[O-])n1)OCc1ccc2ccccc2c1	ZINC000740226967	637827155	/nfs/dbraw/zinc/82/71/55/637827155.db2.gz	WVKAPHMQIPIOAF-UHFFFAOYSA-N	0	0	312.285	2.083	10	5		DEBERN
O=C(OCC1CC=CC1)c1cc([N+](=O)[O-])cc2c1OCCO2	ZINC000750373386	638737975	/nfs/dbraw/zinc/73/79/75/638737975.db2.gz	OAXJAJDKVDMGAY-UHFFFAOYSA-N	0	0	305.286	2.489	10	5		DEBERN
CCOC(=O)[C@@H](CC1CC1)NC(=O)c1cc(F)ccc1[N+](=O)[O-]	ZINC000752382913	639177521	/nfs/dbraw/zinc/17/75/21/639177521.db2.gz	KIUDJHGSRKQHKA-GFCCVEGCSA-N	0	0	324.308	2.196	10	5		DEBERN
C/C(=C/C(=O)N1CCC(C)(O)CC1)c1ccc([N+](=O)[O-])cc1	ZINC000752559075	639198089	/nfs/dbraw/zinc/19/80/89/639198089.db2.gz	FJCDCMMVNXKKDB-QXMHVHEDSA-N	0	0	304.346	2.372	10	5		DEBERN
Cc1c(C(=O)O[C@H](C(=O)N(C)C)C(C)C)cccc1[N+](=O)[O-]	ZINC000729695735	640827754	/nfs/dbraw/zinc/82/77/54/640827754.db2.gz	JNQVKIKWCANLMH-ZDUSSCGKSA-N	0	0	308.334	2.173	10	5		DEBERN
COc1cc([N+](=O)[O-])ccc1CN1CCO[C@H](C(F)F)C1	ZINC000801568445	645418267	/nfs/dbraw/zinc/41/82/67/645418267.db2.gz	YHDIGZSVBZJGGD-LBPRGKRZSA-N	0	0	302.277	2.069	10	5		DEBERN
O=C(Cn1cnc([N+](=O)[O-])n1)O[C@H]1CCc2cc(Cl)ccc21	ZINC000803293213	645632227	/nfs/dbraw/zinc/63/22/27/645632227.db2.gz	HUZRJMHUZFIRJJ-NSHDSACASA-N	0	0	322.708	2.070	10	5		DEBERN
CO[C@@H]1CCC[C@H](OC(=O)COc2cccc([N+](=O)[O-])c2)C1	ZINC000075537152	646400362	/nfs/dbraw/zinc/40/03/62/646400362.db2.gz	XIMJHGZGSLFLEX-OCCSQVGLSA-N	0	0	309.318	2.474	10	5		DEBERN
CC[C@@H](CCO)Nc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-]	ZINC000156804370	646467864	/nfs/dbraw/zinc/46/78/64/646467864.db2.gz	FJZSLNWYCDQIFE-PZBABLGHSA-N	0	0	308.334	2.354	10	5		DEBERN
Cc1ccn2ncc(C(=O)Oc3cc([N+](=O)[O-])ccc3C)c2n1	ZINC000068671207	648489766	/nfs/dbraw/zinc/48/97/66/648489766.db2.gz	VFGHZHXCGAPDPB-UHFFFAOYSA-N	0	0	312.285	2.474	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)OC[C@H]1CC(=O)N(C2CC2)C1	ZINC000086056794	684011582	/nfs/dbraw/zinc/01/15/82/684011582.db2.gz	SNSORBFLLXKVBD-NSHDSACASA-N	0	0	318.329	2.071	10	5		DEBERN
CCC(=O)N1CC[C@@H](C(=O)Oc2ccc(CC)cc2[N+](=O)[O-])C1	ZINC000124269267	684133132	/nfs/dbraw/zinc/13/31/32/684133132.db2.gz	QUFOBJWKJZCBLA-GFCCVEGCSA-N	0	0	320.345	2.321	10	5		DEBERN
CC(C)[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1	ZINC000134992673	684231656	/nfs/dbraw/zinc/23/16/56/684231656.db2.gz	AXKLGNARHJJTIB-SNVBAGLBSA-N	0	0	316.354	2.401	10	5		DEBERN
C[C@H](Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)c1ccccn1	ZINC000192752405	684456327	/nfs/dbraw/zinc/45/63/27/684456327.db2.gz	RPUAIOZKSAIPPD-VIFPVBQESA-N	0	0	314.301	2.494	10	5		DEBERN
O=[N+]([O-])c1cc(Br)cnc1N[C@H]1CC12CC(O)C2	ZINC000724910276	777515537	/nfs/dbraw/zinc/51/55/37/777515537.db2.gz	MGAKJUPXFARCPF-DMGUCSGOSA-N	0	0	314.139	2.078	10	5		DEBERN
CSc1ccccc1[C@H](C)OC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000800011348	799295700	/nfs/dbraw/zinc/29/57/00/799295700.db2.gz	PTEWWMVETUNWRO-VIFPVBQESA-N	0	0	322.346	2.213	10	5		DEBERN
O=[N+]([O-])c1cc(Cl)cnc1NCC[C@H]1CCCS1(=O)=O	ZINC000714326892	1082170357	/nfs/dbraw/zinc/17/03/57/1082170357.db2.gz	FUYPENYZOXMOBS-SECBINFHSA-N	0	0	319.770	2.022	10	5		DEBERN
Nc1c(Cl)cc(C(=O)NC2(C(F)F)CC2)cc1[N+](=O)[O-]	ZINC000700050648	1086307870	/nfs/dbraw/zinc/30/78/70/1086307870.db2.gz	RDIICROOOXHLMN-UHFFFAOYSA-N	0	0	305.668	2.358	10	5		DEBERN
CCc1cnc(CNC(=O)c2cc([N+](=O)[O-])cnc2C)s1	ZINC000173046778	282185212	/nfs/dbraw/zinc/18/52/12/282185212.db2.gz	ULAGEBKLEJUJER-UHFFFAOYSA-N	0	0	306.347	2.247	10	5		DEBERN
CC[C@@H](C)C[C@@H](C)NS(=O)(=O)c1ccc(N)cc1[N+](=O)[O-]	ZINC000088311760	185245319	/nfs/dbraw/zinc/24/53/19/185245319.db2.gz	VDKYPFRADGPZPU-NXEZZACHSA-N	0	0	315.395	2.280	10	5		DEBERN
CC[C@@H](NC(=O)[C@@H]1CCN(C)C(=O)C1)c1cccc([N+](=O)[O-])c1	ZINC000177807207	282208305	/nfs/dbraw/zinc/20/83/05/282208305.db2.gz	NDLOROHVSLBOGR-TZMCWYRMSA-N	0	0	319.361	2.031	10	5		DEBERN
O=C(c1ccnc(Cl)c1[N+](=O)[O-])N1CCCC[C@@H]1CCO	ZINC000088798388	185266043	/nfs/dbraw/zinc/26/60/43/185266043.db2.gz	XPBJEVSUEKGJFI-SECBINFHSA-N	0	0	313.741	2.020	10	5		DEBERN
Cc1ccc(N)c(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c1	ZINC000165855695	197682951	/nfs/dbraw/zinc/68/29/51/197682951.db2.gz	QPZISSRWJVFNQF-UHFFFAOYSA-N	0	0	306.343	2.459	10	5		DEBERN
CC[C@H](NC(=O)NCCn1ccnc1)c1cccc([N+](=O)[O-])c1	ZINC000090073712	185280639	/nfs/dbraw/zinc/28/06/39/185280639.db2.gz	SVXGXGPSVPDRBG-AWEZNQCLSA-N	0	0	317.349	2.242	10	5		DEBERN
CCCc1nn(C)c(S[C@@H](C)CC(=O)OC)c1[N+](=O)[O-]	ZINC000090100581	185282001	/nfs/dbraw/zinc/28/20/01/185282001.db2.gz	QSOUOFWABGDOLN-QMMMGPOBSA-N	0	0	301.368	2.325	10	5		DEBERN
O=C(N[C@H]1CCCOC1)c1cc([N+](=O)[O-])ccc1OC(F)F	ZINC000181625737	199329369	/nfs/dbraw/zinc/32/93/69/199329369.db2.gz	LZCBTRMUPQIUSZ-QMMMGPOBSA-N	0	0	316.260	2.105	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCCc2ccc(F)c(F)c2)n1	ZINC000191721357	282334766	/nfs/dbraw/zinc/33/47/66/282334766.db2.gz	RHMCDIGOLVGXMR-UHFFFAOYSA-N	0	0	324.287	2.062	10	5		DEBERN
CCOC(=O)c1ccc(Nc2ccc([N+](=O)[O-])cc2OC)nn1	ZINC000170546292	197778978	/nfs/dbraw/zinc/77/89/78/197778978.db2.gz	NEXNSSJRQVJMPW-UHFFFAOYSA-N	0	0	318.289	2.314	10	5		DEBERN
CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](C)C1	ZINC000050638540	190680097	/nfs/dbraw/zinc/68/00/97/190680097.db2.gz	DYOZSPQGNGZUGV-JTQLQIEISA-N	0	0	313.379	2.057	10	5		DEBERN
CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(CC)CC	ZINC000050637865	190680181	/nfs/dbraw/zinc/68/01/81/190680181.db2.gz	SMYVULZONFBGGL-UHFFFAOYSA-N	0	0	315.395	2.494	10	5		DEBERN
O=C(CNc1ccccc1[N+](=O)[O-])N1CCO[C@@H]2CCCC[C@@H]21	ZINC000068217336	190754689	/nfs/dbraw/zinc/75/46/89/190754689.db2.gz	LHQOHWIHGQCCNM-LSDHHAIUSA-N	0	0	319.361	2.177	10	5		DEBERN
CCCCN(CC)S(=O)(=O)c1cccc(NC)c1[N+](=O)[O-]	ZINC000126865558	185898993	/nfs/dbraw/zinc/89/89/93/185898993.db2.gz	UNOGYTQDJCSUGP-UHFFFAOYSA-N	0	0	315.395	2.447	10	5		DEBERN
C[C@@H](O)C1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1	ZINC000255025124	282608360	/nfs/dbraw/zinc/60/83/60/282608360.db2.gz	OAQVEGYJRLXRPO-DJFZKKHWSA-N	0	0	304.346	2.227	10	5		DEBERN
Cc1nc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1N	ZINC000071663402	191000184	/nfs/dbraw/zinc/00/01/84/191000184.db2.gz	BYXKZNMGBIUJKI-UHFFFAOYSA-N	0	0	317.261	2.041	10	5		DEBERN
C[C@H](CO[C@@H]1CCOC1)Nc1ncc([N+](=O)[O-])cc1Cl	ZINC000133718419	186009464	/nfs/dbraw/zinc/00/94/64/186009464.db2.gz	SCGRACNOXNDEOF-PSASIEDQSA-N	0	0	301.730	2.249	10	5		DEBERN
CNc1nc(OC)nc(Oc2cc(Cl)ccc2[N+](=O)[O-])n1	ZINC000148283162	186044042	/nfs/dbraw/zinc/04/40/42/186044042.db2.gz	JBMCTQZKMWXEBF-UHFFFAOYSA-N	0	0	311.685	2.276	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)C(=O)OC(C)C	ZINC000174114587	198293797	/nfs/dbraw/zinc/29/37/97/198293797.db2.gz	HDICXBYOCQDVJR-LLVKDONJSA-N	0	0	308.334	2.221	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCn2ncnc21	ZINC000175861562	198518525	/nfs/dbraw/zinc/51/85/25/198518525.db2.gz	MHDXEICSEQJHNR-NSHDSACASA-N	0	0	316.321	2.151	10	5		DEBERN
COc1cc(F)c([N+](=O)[O-])c(NC[C@]2(O)CCSC2)c1	ZINC000092664817	355644873	/nfs/dbraw/zinc/64/48/73/355644873.db2.gz	RBGXHGWWBUMGRI-GFCCVEGCSA-N	0	0	302.327	2.022	10	5		DEBERN
CC(=O)N(C)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1	ZINC000114154861	355761175	/nfs/dbraw/zinc/76/11/75/355761175.db2.gz	YFTYHGYZHNSFHD-UHFFFAOYSA-N	0	0	307.350	2.416	10	5		DEBERN
Cc1nc2cc(NC[C@@H]3CCC(=O)N3)c([N+](=O)[O-])cc2s1	ZINC000079932500	191985574	/nfs/dbraw/zinc/98/55/74/191985574.db2.gz	ZEZRHRLHSRNDKS-QMMMGPOBSA-N	0	0	306.347	2.203	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCCn1ccnn1	ZINC000183876162	356181304	/nfs/dbraw/zinc/18/13/04/356181304.db2.gz	SRIKIOGIIDMPPM-UHFFFAOYSA-N	0	0	318.337	2.015	10	5		DEBERN
CCOC1(C)CN(c2ncc(Br)cc2[N+](=O)[O-])C1	ZINC000399899113	283154643	/nfs/dbraw/zinc/15/46/43/283154643.db2.gz	DSOORKDMDHJXGK-UHFFFAOYSA-N	0	0	316.155	2.368	10	5		DEBERN
C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000081450412	192269279	/nfs/dbraw/zinc/26/92/79/192269279.db2.gz	SSZHTSAZCMHNHS-NSHDSACASA-N	0	0	322.361	2.326	10	5		DEBERN
CC[C@@H](NC(=O)[C@@H](C)n1cncn1)c1cccc([N+](=O)[O-])c1	ZINC000177786398	198776723	/nfs/dbraw/zinc/77/67/23/198776723.db2.gz	TYMVGFCCMMVBOL-ZWNOBZJWSA-N	0	0	303.322	2.015	10	5		DEBERN
CO[C@H]1C[C@@H](CO)N(c2cc(C)nc3c2cccc3[N+](=O)[O-])C1	ZINC000585783626	357355791	/nfs/dbraw/zinc/35/57/91/357355791.db2.gz	NBIFXJWYUYWUOF-RYUDHWBXSA-N	0	0	317.345	2.037	10	5		DEBERN
CC(=O)N1CC[C@H](CNc2ccc([N+](=O)[O-])c3cnccc23)C1	ZINC000589101652	357442904	/nfs/dbraw/zinc/44/29/04/357442904.db2.gz	GUBKSEXDWKSBLM-GFCCVEGCSA-N	0	0	314.345	2.423	10	5		DEBERN
COC(=O)C1CCC(C(=O)Oc2cccc([N+](=O)[O-])c2)CC1	ZINC000181001415	199239664	/nfs/dbraw/zinc/23/96/64/199239664.db2.gz	DSEINJBYXYIEHP-UHFFFAOYSA-N	0	0	307.302	2.480	10	5		DEBERN
Cc1ccc(C(=O)N2CCCC[C@H]2c2nc[nH]n2)cc1[N+](=O)[O-]	ZINC000181181070	199260708	/nfs/dbraw/zinc/26/07/08/199260708.db2.gz	OWLLXRWHHBDDHR-LBPRGKRZSA-N	0	0	315.333	2.389	10	5		DEBERN
CO[C@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[C@H]1C	ZINC000187422311	200110326	/nfs/dbraw/zinc/11/03/26/200110326.db2.gz	GDUFCFZPQFFSCR-DOMZBBRYSA-N	0	0	321.377	2.204	10	5		DEBERN
COC(=O)CCCCCNC(=O)c1c(C)cccc1[N+](=O)[O-]	ZINC000192471462	200884034	/nfs/dbraw/zinc/88/40/34/200884034.db2.gz	KGEOXJZBTPMFRD-UHFFFAOYSA-N	0	0	308.334	2.366	10	5		DEBERN
O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2nccn2c1	ZINC000609618909	361328998	/nfs/dbraw/zinc/32/89/98/361328998.db2.gz	AQWPDVPTGFQWQM-UHFFFAOYSA-N	0	0	312.285	2.260	10	5		DEBERN
COC(=O)CC1(NC(=O)Cc2ccccc2[N+](=O)[O-])CCCC1	ZINC000193900001	201141844	/nfs/dbraw/zinc/14/18/44/201141844.db2.gz	ZHHTUZJYCDNMLR-UHFFFAOYSA-N	0	0	320.345	2.129	10	5		DEBERN
CCOc1ccc(C(=O)N2CCC[C@H](CCO)C2)cc1[N+](=O)[O-]	ZINC000611137379	361533195	/nfs/dbraw/zinc/53/31/95/361533195.db2.gz	YHLDVDPOEMJHEL-GFCCVEGCSA-N	0	0	322.361	2.228	10	5		DEBERN
CCC1(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)CCC1	ZINC000194707073	201275630	/nfs/dbraw/zinc/27/56/30/201275630.db2.gz	LDFCREULSSEILC-UHFFFAOYSA-N	0	0	305.334	2.291	10	5		DEBERN
CC[C@H](NS(=O)(=O)C[C@H](C)OC)c1cccc([N+](=O)[O-])c1	ZINC000195337777	201380977	/nfs/dbraw/zinc/38/09/77/201380977.db2.gz	LMAKGCAGZGOFCL-GWCFXTLKSA-N	0	0	316.379	2.000	10	5		DEBERN
COC(=O)c1cc(C)nc(N[C@H](C)[C@H](OC)C2CC2)c1[N+](=O)[O-]	ZINC000450864270	242323440	/nfs/dbraw/zinc/32/34/40/242323440.db2.gz	UVWHNWYVVIIOSX-RNCFNFMXSA-N	0	0	323.349	2.310	10	5		DEBERN
Cc1nn(C)cc1CC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1	ZINC000452181887	244022666	/nfs/dbraw/zinc/02/26/66/244022666.db2.gz	DHTJCWUDPORONS-JTQLQIEISA-N	0	0	302.334	2.057	10	5		DEBERN
COC(CNc1ccc(Br)c([N+](=O)[O-])c1)OC	ZINC000094187947	193347732	/nfs/dbraw/zinc/34/77/32/193347732.db2.gz	GMXJOAOWYBDITA-UHFFFAOYSA-N	0	0	305.128	2.388	10	5		DEBERN
C[C@H](NC(=O)[C@@](C)(N)C(F)(F)F)c1cccc([N+](=O)[O-])c1	ZINC000094234080	193352863	/nfs/dbraw/zinc/35/28/63/193352863.db2.gz	TYTRXXOXQSNGCT-WRWORJQWSA-N	0	0	305.256	2.052	10	5		DEBERN
CCCNc1cc(C)c(S(=O)(=O)NC(C)C)cc1[N+](=O)[O-]	ZINC000094780414	193397746	/nfs/dbraw/zinc/39/77/46/193397746.db2.gz	XTYSNECOLIITQV-UHFFFAOYSA-N	0	0	315.395	2.412	10	5		DEBERN
CCCCCCNS(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1C	ZINC000094780689	193397898	/nfs/dbraw/zinc/39/78/98/193397898.db2.gz	WKEAUCPVUDDNKI-UHFFFAOYSA-N	0	0	315.395	2.344	10	5		DEBERN
CCNc1cc(C)c(S(=O)(=O)NCC(C)C)cc1[N+](=O)[O-]	ZINC000094780434	193398030	/nfs/dbraw/zinc/39/80/30/193398030.db2.gz	REAZOUSOUWPITI-UHFFFAOYSA-N	0	0	315.395	2.269	10	5		DEBERN
COC[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1ccc(F)cc1	ZINC000531207934	284526828	/nfs/dbraw/zinc/52/68/28/284526828.db2.gz	NHYLFKJDGMEZIQ-ZDUSSCGKSA-N	0	0	321.308	2.190	10	5		DEBERN
CCOc1ccc(C(=O)N[C@@H]2CC23CCOCC3)cc1[N+](=O)[O-]	ZINC000456220556	247025247	/nfs/dbraw/zinc/02/52/47/247025247.db2.gz	RFHWERJDYMHKAZ-CQSZACIVSA-N	0	0	320.345	2.292	10	5		DEBERN
O=[N+]([O-])c1cnccc1NC[C@@H]1CCN(CC(F)(F)F)C1	ZINC000037648713	182918128	/nfs/dbraw/zinc/91/81/28/182918128.db2.gz	BHXUVOYWSANWBI-VIFPVBQESA-N	0	0	304.272	2.286	10	5		DEBERN
CC(=O)c1cccc(Nc2[nH]cnc(=NN(C)C)c2[N+](=O)[O-])c1	ZINC000040593308	183106983	/nfs/dbraw/zinc/10/69/83/183106983.db2.gz	DAYQTGJEHSQIPE-UHFFFAOYSA-N	0	0	316.321	2.220	10	5		DEBERN
COC[C@H](O)CN(C)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1	ZINC000042516715	183279343	/nfs/dbraw/zinc/27/93/43/183279343.db2.gz	RFVPYDIRUKMENR-SECBINFHSA-N	0	0	308.256	2.057	10	5		DEBERN
CC(C)C[C@@H](C)N(C)S(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1	ZINC000042594069	183289538	/nfs/dbraw/zinc/28/95/38/183289538.db2.gz	BWNVXRYOWFZVMS-SNVBAGLBSA-N	0	0	315.395	2.232	10	5		DEBERN
COC(=O)[C@@H](C)Nc1ccc([N+](=O)[O-])cc1Br	ZINC000043596503	183375309	/nfs/dbraw/zinc/37/53/09/183375309.db2.gz	NNNODLPHAINFLO-ZCFIWIBFSA-N	0	0	303.112	2.331	10	5		DEBERN
CN1CC[C@H](Nc2ccc([N+](=O)[O-])cc2Br)C1	ZINC000043596735	183375541	/nfs/dbraw/zinc/37/55/41/183375541.db2.gz	MPLAYZCWZYMUNR-QMMMGPOBSA-N	0	0	300.156	2.473	10	5		DEBERN
C[C@H](Nc1[nH]cnc(=NN)c1[N+](=O)[O-])c1ccccc1Cl	ZINC000159501568	197358606	/nfs/dbraw/zinc/35/86/06/197358606.db2.gz	LFQPMEVIKXBJQW-ZETCQYMHSA-N	0	0	308.729	2.497	10	5		DEBERN
CCNc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)C(C)C	ZINC000050650750	183793995	/nfs/dbraw/zinc/79/39/95/183793995.db2.gz	FIWNQWLITJQRGX-SNVBAGLBSA-N	0	0	315.395	2.349	10	5		DEBERN
CCCCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NC	ZINC000050652827	183795061	/nfs/dbraw/zinc/79/50/61/183795061.db2.gz	BSWAUTDOJXWHNZ-UHFFFAOYSA-N	0	0	315.395	2.447	10	5		DEBERN
CCC[C@@H](C)N(C)S(=O)(=O)c1ccc(NC)cc1[N+](=O)[O-]	ZINC000050658665	183796067	/nfs/dbraw/zinc/79/60/67/183796067.db2.gz	UCMKHDHQSYYAAM-SNVBAGLBSA-N	0	0	315.395	2.446	10	5		DEBERN
CCC[C@H](CC)NS(=O)(=O)c1cc(N)ccc1[N+](=O)[O-]	ZINC000050661194	183796420	/nfs/dbraw/zinc/79/64/20/183796420.db2.gz	APBKNKHJTMPJLU-JTQLQIEISA-N	0	0	301.368	2.034	10	5		DEBERN
COC(=O)[C@@H](COc1cc(Cl)ccc1[N+](=O)[O-])NC(C)C	ZINC000051625810	183831883	/nfs/dbraw/zinc/83/18/83/183831883.db2.gz	LXGINPULANIXKH-SNVBAGLBSA-N	0	0	316.741	2.167	10	5		DEBERN
CCNc1c(Cl)cc(C(=O)N(C)C[C@@H](C)O)cc1[N+](=O)[O-]	ZINC000051843815	183839070	/nfs/dbraw/zinc/83/90/70/183839070.db2.gz	DMSMMLROAMXGPP-MRVPVSSYSA-N	0	0	315.757	2.133	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[C@@H]1O	ZINC000273445591	210781535	/nfs/dbraw/zinc/78/15/35/210781535.db2.gz	SADCZNCTCFYNQB-DMRRBVLHSA-N	0	0	304.346	2.275	10	5		DEBERN
CC[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCN1C	ZINC000110732705	194355112	/nfs/dbraw/zinc/35/51/12/194355112.db2.gz	KCWVWZCOZYMACA-LLVKDONJSA-N	0	0	311.769	2.414	10	5		DEBERN
CC[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCN1C	ZINC000110732729	194355143	/nfs/dbraw/zinc/35/51/43/194355143.db2.gz	AMTCPDSDYWJQJZ-NSHDSACASA-N	0	0	311.769	2.414	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1COc2ccccc21	ZINC000058727371	184127116	/nfs/dbraw/zinc/12/71/16/184127116.db2.gz	LEHRDCIXAYTVPG-ZDUSSCGKSA-N	0	0	314.297	2.467	10	5		DEBERN
CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1	ZINC000158006246	197234725	/nfs/dbraw/zinc/23/47/25/197234725.db2.gz	XLWDARDVDMVLPJ-OAGGEKHMSA-N	0	0	306.362	2.363	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])cc1)N1N=CC[C@]1(O)c1ccccc1	ZINC000059366464	184137576	/nfs/dbraw/zinc/13/75/76/184137576.db2.gz	URYFNTXXHNLHMJ-INIZCTEOSA-N	0	0	311.297	2.272	10	5		DEBERN
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCCCC1	ZINC000059765912	184140801	/nfs/dbraw/zinc/14/08/01/184140801.db2.gz	YEMINQWIMGTLLG-UHFFFAOYSA-N	0	0	311.725	2.199	10	5		DEBERN
C[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C	ZINC000112363522	194466063	/nfs/dbraw/zinc/46/60/63/194466063.db2.gz	WVHFDBRMBHQUCG-SNVBAGLBSA-N	0	0	300.380	2.449	10	5		DEBERN
Cc1nccn1CC1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1	ZINC000062130449	184207835	/nfs/dbraw/zinc/20/78/35/184207835.db2.gz	CPBCZKNZXDPQBN-UHFFFAOYSA-N	0	0	318.333	2.245	10	5		DEBERN
Cc1cc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)n1C	ZINC000062577215	184243655	/nfs/dbraw/zinc/24/36/55/184243655.db2.gz	WEDFAMKSCVLZRL-UHFFFAOYSA-N	0	0	323.374	2.029	10	5		DEBERN
O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1F	ZINC000005179419	285012045	/nfs/dbraw/zinc/01/20/45/285012045.db2.gz	GQGWKBHKXJCSDL-XXHBBNRNSA-N	0	0	302.261	2.045	10	5		DEBERN
C[C@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H](C)O1	ZINC000119785388	195036440	/nfs/dbraw/zinc/03/64/40/195036440.db2.gz	ITDGIIUZHQKAQW-UWVGGRQHSA-N	0	0	303.318	2.326	10	5		DEBERN
CSc1cccc(C(=O)NCC2(CCO)CC2)c1[N+](=O)[O-]	ZINC000187975931	533011410	/nfs/dbraw/zinc/01/14/10/533011410.db2.gz	OXVXZCLJQXQHOC-UHFFFAOYSA-N	0	0	310.375	2.209	10	5		DEBERN
CCNc1sc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-]	ZINC000157545166	197196169	/nfs/dbraw/zinc/19/61/69/197196169.db2.gz	BEAYUVXEEHIEEO-UHFFFAOYSA-N	0	0	307.397	2.119	10	5		DEBERN
CN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1nnc(Cl)s1	ZINC000157231863	197171537	/nfs/dbraw/zinc/17/15/37/197171537.db2.gz	WFWMXXMGKZJPHX-UHFFFAOYSA-N	0	0	312.738	2.372	10	5		DEBERN
O=C1c2cc([N+](=O)[O-])ccc2CCN1Cc1nnc(Cl)s1	ZINC000157014026	197155645	/nfs/dbraw/zinc/15/56/45/197155645.db2.gz	YPAKWBHIVSZDQH-UHFFFAOYSA-N	0	0	324.749	2.298	10	5		DEBERN
CNc1cccc(C(=O)N(C)Cc2cscn2)c1[N+](=O)[O-]	ZINC000156951618	197152462	/nfs/dbraw/zinc/15/24/62/197152462.db2.gz	XUXPSWZFLRGMCN-UHFFFAOYSA-N	0	0	306.347	2.365	10	5		DEBERN
CCO[C@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)C12CCCC2	ZINC000156881267	197147456	/nfs/dbraw/zinc/14/74/56/197147456.db2.gz	YULIEWPPSKZXQU-RYUDHWBXSA-N	0	0	321.381	2.141	10	5		DEBERN
COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCCC[C@@H]1O	ZINC000156103774	197086686	/nfs/dbraw/zinc/08/66/86/197086686.db2.gz	OWUASKBAVKKJAN-PWSUYJOCSA-N	0	0	309.322	2.028	10	5		DEBERN
CC1(C)CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)CC1	ZINC000125567287	195763573	/nfs/dbraw/zinc/76/35/73/195763573.db2.gz	BVAJIQYKOMSWDP-UHFFFAOYSA-N	0	0	319.408	2.049	10	5		DEBERN
O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@]2(O)CCCC[C@H]2C1	ZINC000127716154	195903346	/nfs/dbraw/zinc/90/33/46/195903346.db2.gz	OJWNWCQGJYHURL-WMLDXEAASA-N	0	0	318.373	2.291	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc([C@H](C)NC(N)=O)no1	ZINC000350542476	533404874	/nfs/dbraw/zinc/40/48/74/533404874.db2.gz	RNBSLLVQUAZCER-FLOXNTQESA-N	0	0	317.305	2.268	10	5		DEBERN
O=C(N[C@@H]1Cc2ccccc2[C@H]1O)c1csc([N+](=O)[O-])c1	ZINC000178320374	132534728	/nfs/dbraw/zinc/53/47/28/132534728.db2.gz	IHWPLRFTKMGXBN-DGCLKSJQSA-N	0	0	304.327	2.044	10	5		DEBERN
Cc1ccccc1[C@H](C)c1noc(Cn2cnc([N+](=O)[O-])n2)n1	ZINC000357703198	133094366	/nfs/dbraw/zinc/09/43/66/133094366.db2.gz	RYGVBBLXTSDNLQ-JTQLQIEISA-N	0	0	314.305	2.078	10	5		DEBERN
CCOc1ccc(C(=O)NC[C@@]2(O)CCC[C@H]2C)cc1[N+](=O)[O-]	ZINC000359787857	133144754	/nfs/dbraw/zinc/14/47/54/133144754.db2.gz	GOXZNACIYUWFKF-BZNIZROVSA-N	0	0	322.361	2.274	10	5		DEBERN
C[C@H]1CC[C@@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1	ZINC000360386525	133179232	/nfs/dbraw/zinc/17/92/32/133179232.db2.gz	XJOAAIXXSDIJAS-NWDGAFQWSA-N	0	0	312.391	2.450	10	5		DEBERN
CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1	ZINC000376455714	133295338	/nfs/dbraw/zinc/29/53/38/133295338.db2.gz	RRJBAYIXKNAQMX-XDMRBOTDSA-N	0	0	317.345	2.219	10	5		DEBERN
C[C@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1ncccn1	ZINC000190957078	145051204	/nfs/dbraw/zinc/05/12/04/145051204.db2.gz	TXKQJEBTRFLXTB-SNVBAGLBSA-N	0	0	307.331	2.061	10	5		DEBERN
Cc1ccc([C@@H](C)NCc2ccc(C(N)=O)cc2[N+](=O)[O-])o1	ZINC000192532402	145075178	/nfs/dbraw/zinc/07/51/78/145075178.db2.gz	BNCYDLPEFZQTAY-SNVBAGLBSA-N	0	0	303.318	2.446	10	5		DEBERN
Cc1cc(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c(N)c([N+](=O)[O-])c1	ZINC000246760948	145113384	/nfs/dbraw/zinc/11/33/84/145113384.db2.gz	GHAVXPROSDGWSH-OWYVNGRQSA-N	0	0	319.361	2.029	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@H]([C@H]2CCCO2)C1	ZINC000248693437	145164461	/nfs/dbraw/zinc/16/44/61/145164461.db2.gz	YFOVCBRHJJCBLT-CVEARBPZSA-N	0	0	306.362	2.283	10	5		DEBERN
COC(=O)[C@@H](NCCCCc1ccc([N+](=O)[O-])cc1)C1CC1	ZINC000358808126	147209504	/nfs/dbraw/zinc/20/95/04/147209504.db2.gz	HQBKUGVXBKPMKM-HNNXBMFYSA-N	0	0	306.362	2.459	10	5		DEBERN
Cc1nccc(CS(=O)(=O)Cc2cccc([N+](=O)[O-])c2C)n1	ZINC000359332275	147308907	/nfs/dbraw/zinc/30/89/07/147308907.db2.gz	LNXQMABVDJXNLM-UHFFFAOYSA-N	0	0	321.358	2.117	10	5		DEBERN
O=C(NC[C@H]1C[C@@H]1c1ccccc1)c1cc([N+](=O)[O-])c[nH]c1=O	ZINC000111646987	401719597	/nfs/dbraw/zinc/71/95/97/401719597.db2.gz	JMCJZJPRSZSKRY-DGCLKSJQSA-N	0	0	313.313	2.229	10	5		DEBERN
Cc1cc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)nn1C	ZINC000128414006	401775783	/nfs/dbraw/zinc/77/57/83/401775783.db2.gz	YMRDUHJLFXKIAP-UHFFFAOYSA-N	0	0	305.290	2.082	10	5		DEBERN
CCn1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cn1	ZINC000114234609	401795062	/nfs/dbraw/zinc/79/50/62/401795062.db2.gz	KWNICOSNXTVNEE-JTQLQIEISA-N	0	0	300.318	2.403	10	5		DEBERN
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc2n1CCCC2	ZINC000135294743	401934423	/nfs/dbraw/zinc/93/44/23/401934423.db2.gz	WGBFQXQZGMTCTG-JTQLQIEISA-N	0	0	315.333	2.014	10	5		DEBERN
O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCN(C2CC2)CC1	ZINC000117770440	401883947	/nfs/dbraw/zinc/88/39/47/401883947.db2.gz	MDKGFLXTCVWQSG-UHFFFAOYSA-N	0	0	323.780	2.097	10	5		DEBERN
Cc1cnn(CCNC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1	ZINC000118007114	401889161	/nfs/dbraw/zinc/88/91/61/401889161.db2.gz	CACBGCCGVNRUKL-UHFFFAOYSA-N	0	0	303.322	2.230	10	5		DEBERN
C[C@]1(O)CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)C1	ZINC000133759904	401894199	/nfs/dbraw/zinc/89/41/99/401894199.db2.gz	BDJIGUQQJDOKST-HNNXBMFYSA-N	0	0	303.318	2.063	10	5		DEBERN
C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000081451101	401896383	/nfs/dbraw/zinc/89/63/83/401896383.db2.gz	IDFVLHZMMCDNRO-NSHDSACASA-N	0	0	322.361	2.326	10	5		DEBERN
CO[C@@H]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1	ZINC000120029785	401974790	/nfs/dbraw/zinc/97/47/90/401974790.db2.gz	CSGJZNNKQUMKQF-RBSFLKMASA-N	0	0	320.345	2.003	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccnc1N(C)C	ZINC000049728410	402021007	/nfs/dbraw/zinc/02/10/07/402021007.db2.gz	QLINOKZBWAIEHK-UHFFFAOYSA-N	0	0	301.306	2.012	10	5		DEBERN
Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)c([N+](=O)[O-])c1	ZINC000152575755	402100960	/nfs/dbraw/zinc/10/09/60/402100960.db2.gz	VVBPYYZORWLGIR-RYUDHWBXSA-N	0	0	310.375	2.324	10	5		DEBERN
Cc1ccc(NC(=O)C(=O)NCCC2=CCCC2)cc1[N+](=O)[O-]	ZINC000123579746	402135738	/nfs/dbraw/zinc/13/57/38/402135738.db2.gz	YBLNWCLGMSTQQP-UHFFFAOYSA-N	0	0	317.345	2.458	10	5		DEBERN
CN(C)c1ncc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1	ZINC000125477872	402234763	/nfs/dbraw/zinc/23/47/63/402234763.db2.gz	GEFODVYNLSVKIV-UHFFFAOYSA-N	0	0	321.724	2.357	10	5		DEBERN
CS(=O)(=O)c1cc(NC[C@@H]2CCCS2)ccc1[N+](=O)[O-]	ZINC000126049297	402262008	/nfs/dbraw/zinc/26/20/08/402262008.db2.gz	SKFPEHPQEKYTIP-JTQLQIEISA-N	0	0	316.404	2.306	10	5		DEBERN
Cc1ccc([C@H](C)NC(=O)c2c([N+](=O)[O-])cnn2C)cc1F	ZINC000126258022	402272023	/nfs/dbraw/zinc/27/20/23/402272023.db2.gz	VBSBXLKIXLRRTP-VIFPVBQESA-N	0	0	306.297	2.267	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1c2ccccc2C[C@H]1O	ZINC000126309279	402275038	/nfs/dbraw/zinc/27/50/38/402275038.db2.gz	OMQDUOFXGOMSQI-HZPDHXFCSA-N	0	0	312.325	2.291	10	5		DEBERN
O=C(CCn1cc([N+](=O)[O-])cn1)NCc1ccc(C(F)F)cc1	ZINC000184614970	402284493	/nfs/dbraw/zinc/28/44/93/402284493.db2.gz	XXBLTHKFELXLMC-UHFFFAOYSA-N	0	0	324.287	2.435	10	5		DEBERN
CCOC(=O)[C@@H](C)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000184714575	402294254	/nfs/dbraw/zinc/29/42/54/402294254.db2.gz	GMXWODOYJQKGOD-QWRGUYRKSA-N	0	0	308.334	2.221	10	5		DEBERN
Cc1c(F)cc(S(=O)(=O)N2CC[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-]	ZINC000185036574	402318782	/nfs/dbraw/zinc/31/87/82/402318782.db2.gz	DYHQYQMNENZSEZ-SCZZXKLOSA-N	0	0	316.354	2.461	10	5		DEBERN
COc1cc(N[C@@H](C)CN2CCCC2=O)c([N+](=O)[O-])cc1F	ZINC000176929398	402351671	/nfs/dbraw/zinc/35/16/71/402351671.db2.gz	LOPWYCAYYHAZAT-VIFPVBQESA-N	0	0	311.313	2.165	10	5		DEBERN
C[C@@H](CO)[C@H](C)Nc1c(Br)cncc1[N+](=O)[O-]	ZINC000231630053	402354829	/nfs/dbraw/zinc/35/48/29/402354829.db2.gz	ZSSYPVSENYYRCU-BQBZGAKWSA-N	0	0	304.144	2.181	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)c1cccnc1N(C)C	ZINC000176786928	402337255	/nfs/dbraw/zinc/33/72/55/402337255.db2.gz	ZMPFLOFYBIJQOY-UHFFFAOYSA-N	0	0	315.333	2.036	10	5		DEBERN
C[C@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCC1=O	ZINC000186542257	402440566	/nfs/dbraw/zinc/44/05/66/402440566.db2.gz	ZRAULAWSIZCVNV-LBPRGKRZSA-N	0	0	319.361	2.224	10	5		DEBERN
Cc1cc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)c(N)c([N+](=O)[O-])c1	ZINC000178169970	402467059	/nfs/dbraw/zinc/46/70/59/402467059.db2.gz	GJMCCKNPKSIMHT-JSGCOSHPSA-N	0	0	319.361	2.269	10	5		DEBERN
O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1Cc2ccccc2[C@@H]1O	ZINC000170993110	402547714	/nfs/dbraw/zinc/54/77/14/402547714.db2.gz	YKLAIQDHMXOTLV-GJZGRUSLSA-N	0	0	313.313	2.375	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1nc2ccccc2[nH]1	ZINC000189730553	402555201	/nfs/dbraw/zinc/55/52/01/402555201.db2.gz	PISIGIIDKFONMC-UHFFFAOYSA-N	0	0	311.301	2.105	10	5		DEBERN
CCn1c(C)nnc1COc1ccc(C(C)=O)cc1[N+](=O)[O-]	ZINC000178676021	402525556	/nfs/dbraw/zinc/52/55/56/402525556.db2.gz	YPJFJFPFBAPFKS-UHFFFAOYSA-N	0	0	304.306	2.296	10	5		DEBERN
O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](n2cncn2)C1	ZINC000170897517	402539406	/nfs/dbraw/zinc/53/94/06/402539406.db2.gz	XBHZNJKIFTWXAP-ZDUSSCGKSA-N	0	0	316.321	2.055	10	5		DEBERN
Cn1cc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cn1	ZINC000171352764	402579799	/nfs/dbraw/zinc/57/97/99/402579799.db2.gz	JATAFBPFZHOJGS-JTQLQIEISA-N	0	0	306.347	2.367	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)C1CCCCC1	ZINC000190549528	402609064	/nfs/dbraw/zinc/60/90/64/402609064.db2.gz	LJZQDSZPQGBLQY-INIZCTEOSA-N	0	0	321.377	2.359	10	5		DEBERN
COC(=O)C1CCC(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1	ZINC000180177517	402609142	/nfs/dbraw/zinc/60/91/42/402609142.db2.gz	KNFRAYLTIZHLKN-UHFFFAOYSA-N	0	0	320.345	2.190	10	5		DEBERN
O=Cc1ccc(OCC(=O)NCCC2CCCC2)c([N+](=O)[O-])c1	ZINC000171915449	402633216	/nfs/dbraw/zinc/63/32/16/402633216.db2.gz	XNSOKGIGONMZLX-UHFFFAOYSA-N	0	0	320.345	2.483	10	5		DEBERN
CC[C@H](NCc1nc(CCOC)no1)c1cccc([N+](=O)[O-])c1	ZINC000181538239	402648939	/nfs/dbraw/zinc/64/89/39/402648939.db2.gz	FKWRJXZUAZVSTN-ZDUSSCGKSA-N	0	0	320.349	2.408	10	5		DEBERN
O=C(COc1cccc([N+](=O)[O-])c1)NCc1ccc(Cl)cn1	ZINC000181636171	402652855	/nfs/dbraw/zinc/65/28/55/402652855.db2.gz	CDVQFHFGGDNNEE-UHFFFAOYSA-N	0	0	321.720	2.338	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C(F)(F)F)C2)n1	ZINC000191476699	402673051	/nfs/dbraw/zinc/67/30/51/402673051.db2.gz	REOWACOMMWPYSR-MRVPVSSYSA-N	0	0	320.271	2.226	10	5		DEBERN
Cc1ccc([C@@H](C)NCc2nc(N(C)C)no2)cc1[N+](=O)[O-]	ZINC000191609295	402681431	/nfs/dbraw/zinc/68/14/31/402681431.db2.gz	ZHWOGLXJMYPWDV-SNVBAGLBSA-N	0	0	305.338	2.203	10	5		DEBERN
COC(=O)[C@H]1CCCN1C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1	ZINC000182496426	402694462	/nfs/dbraw/zinc/69/44/62/402694462.db2.gz	QCCYHCKZSCAUOE-PLSXKVAHSA-N	0	0	318.329	2.162	10	5		DEBERN
Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccccc1[N+](=O)[O-]	ZINC000173505731	402700474	/nfs/dbraw/zinc/70/04/74/402700474.db2.gz	KMFZPICYJJCFOI-JTQLQIEISA-N	0	0	316.361	2.306	10	5		DEBERN
CCSCC[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000174069688	402725874	/nfs/dbraw/zinc/72/58/74/402725874.db2.gz	HORNPXUINRCRDX-MRVPVSSYSA-N	0	0	324.449	2.466	10	5		DEBERN
O=[N+]([O-])c1ccc(CN2C[C@H]3CCC[C@@H](C2)C3O)c([N+](=O)[O-])c1	ZINC000193975305	402780862	/nfs/dbraw/zinc/78/08/62/402780862.db2.gz	WJHFQLPECASWJO-ODOQXGPZSA-N	0	0	321.333	2.096	10	5		DEBERN
CC[C@@H](NC(=O)N[C@@H](C)c1nc[nH]n1)c1cccc([N+](=O)[O-])c1	ZINC000183213777	402747335	/nfs/dbraw/zinc/74/73/35/402747335.db2.gz	YOYNIQOWRSKPEY-JOYOIKCWSA-N	0	0	318.337	2.224	10	5		DEBERN
C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1csc([N+](=O)[O-])c1	ZINC000175744428	402828581	/nfs/dbraw/zinc/82/85/81/402828581.db2.gz	FQDQFJUDHPSPSX-MRVPVSSYSA-N	0	0	314.363	2.459	10	5		DEBERN
CSCCCCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000184515002	402848176	/nfs/dbraw/zinc/84/81/76/402848176.db2.gz	AQSVZVLYSOAOKK-UHFFFAOYSA-N	0	0	318.420	2.157	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(C)nn1C	ZINC000284286600	403260063	/nfs/dbraw/zinc/26/00/63/403260063.db2.gz	ZDEWFXCQQIUEOD-DHZHZOJOSA-N	0	0	314.345	2.356	10	5		DEBERN
O=[N+]([O-])c1cnccc1NCc1cnn(Cc2ccccc2)c1	ZINC000340155315	403564254	/nfs/dbraw/zinc/56/42/54/403564254.db2.gz	PXRWVMFZEGAQIQ-UHFFFAOYSA-N	0	0	309.329	2.269	10	5		DEBERN
C[C@@H]1CC[C@H](C)CN1c1nc2ccccn2c(=O)c1[N+](=O)[O-]	ZINC000301411699	403625999	/nfs/dbraw/zinc/62/59/99/403625999.db2.gz	ADTJNEFBKGFSEV-WDEREUQCSA-N	0	0	302.334	2.228	10	5		DEBERN
CNC(=O)c1ccc(N[C@H]2CCC[C@@H](OC)C2)c([N+](=O)[O-])c1	ZINC000301790256	403680114	/nfs/dbraw/zinc/68/01/14/403680114.db2.gz	QZQCCSSMEOAIGM-NWDGAFQWSA-N	0	0	307.350	2.324	10	5		DEBERN
CS(=O)(=O)c1cccc(Oc2cccnc2F)c1[N+](=O)[O-]	ZINC000301904420	403699002	/nfs/dbraw/zinc/69/90/02/403699002.db2.gz	YBOFXLLWHFPXAZ-UHFFFAOYSA-N	0	0	312.278	2.325	10	5		DEBERN
O=C1CCc2cc([N+](=O)[O-])c(NCCCc3cc[nH]n3)cc2N1	ZINC000302790028	403726044	/nfs/dbraw/zinc/72/60/44/403726044.db2.gz	YASTYJIHTKGSMK-UHFFFAOYSA-N	0	0	315.333	2.247	10	5		DEBERN
C[C@@H]1[C@H](O)CCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21	ZINC000296283516	404177809	/nfs/dbraw/zinc/17/78/09/404177809.db2.gz	ZAONAICGZXCWSN-YMTOWFKASA-N	0	0	303.318	2.062	10	5		DEBERN
C[C@H](NC(=O)N1CCOCC[C@H]1C)c1cccc([N+](=O)[O-])c1	ZINC000378431664	404962893	/nfs/dbraw/zinc/96/28/93/404962893.db2.gz	OHQIRLAEKACAIN-NEPJUHHUSA-N	0	0	307.350	2.476	10	5		DEBERN
C[C@H]1CCOCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1	ZINC000367663004	405117669	/nfs/dbraw/zinc/11/76/69/405117669.db2.gz	OZAVLXXIAWJQLV-NSHDSACASA-N	0	0	319.361	2.420	10	5		DEBERN
Cc1n[nH]c(C(=O)N2CCO[C@@H](C3CCCCC3)C2)c1[N+](=O)[O-]	ZINC000408209236	405140036	/nfs/dbraw/zinc/14/00/36/405140036.db2.gz	ZJCNJTSSDNFHCE-GFCCVEGCSA-N	0	0	322.365	2.048	10	5		DEBERN
O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCO[C@@H](C2CCCCC2)C1	ZINC000408199144	405136960	/nfs/dbraw/zinc/13/69/60/405136960.db2.gz	QFXFOPYPCQJTPE-CQSZACIVSA-N	0	0	307.350	2.344	10	5		DEBERN
Cc1cc(CCNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])on1	ZINC000584130558	405831151	/nfs/dbraw/zinc/83/11/51/405831151.db2.gz	FWCKGLKTQNNQDL-UHFFFAOYSA-N	0	0	315.289	2.195	10	5		DEBERN
COC[C@@H]1CCCCN1c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-]	ZINC000450945477	405996141	/nfs/dbraw/zinc/99/61/41/405996141.db2.gz	ZTMJEFJKAKDICH-NSHDSACASA-N	0	0	323.349	2.090	10	5		DEBERN
COc1ccc(NC(=O)N2CCO[C@@H](C3CC3)C2)cc1[N+](=O)[O-]	ZINC000548599999	406530144	/nfs/dbraw/zinc/53/01/44/406530144.db2.gz	XDAFGSPCQWTUSB-CQSZACIVSA-N	0	0	321.333	2.246	10	5		DEBERN
COC(=O)Cc1c(Br)ccc([N+](=O)[O-])c1OC	ZINC000575713147	406822204	/nfs/dbraw/zinc/82/22/04/406822204.db2.gz	WUZCFOIVKQCJJF-UHFFFAOYSA-N	0	0	304.096	2.081	10	5		DEBERN
COc1ccc([N+](=O)[O-])c(C=O)c1I	ZINC000575728796	406826133	/nfs/dbraw/zinc/82/61/33/406826133.db2.gz	VVHGVAFQLLZQNF-UHFFFAOYSA-N	0	0	307.043	2.021	10	5		DEBERN
C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1)c1ccco1	ZINC000131166199	196145973	/nfs/dbraw/zinc/14/59/73/196145973.db2.gz	QQQWLSGCXMMLOR-MRVPVSSYSA-N	0	0	314.294	2.366	10	5		DEBERN
Nc1cc(S(=O)(=O)NCCC2CCCC2)ccc1[N+](=O)[O-]	ZINC000132018256	196219983	/nfs/dbraw/zinc/21/99/83/196219983.db2.gz	WVUSDBIUQQSBBJ-UHFFFAOYSA-N	0	0	313.379	2.036	10	5		DEBERN
CC[C@H](C)CN(CC)S(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1	ZINC000132940238	196298179	/nfs/dbraw/zinc/29/81/79/196298179.db2.gz	RSSHZEXCPIJEMP-JTQLQIEISA-N	0	0	315.395	2.234	10	5		DEBERN
COC(=O)[C@@H]1CCCN(c2c(F)c(F)ccc2[N+](=O)[O-])C1	ZINC000133949321	196348595	/nfs/dbraw/zinc/34/85/95/196348595.db2.gz	YFSMMZNOWJXVJJ-MRVPVSSYSA-N	0	0	300.261	2.262	10	5		DEBERN
CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1(C)CC1	ZINC000134126510	196363678	/nfs/dbraw/zinc/36/36/78/196363678.db2.gz	QEPNEKITVBPKLB-UHFFFAOYSA-N	0	0	313.379	2.248	10	5		DEBERN
O=C1NCCCN1c1cc([N+](=O)[O-])ccc1Br	ZINC000135326285	196463743	/nfs/dbraw/zinc/46/37/43/196463743.db2.gz	KJEDLPJGHBLDIK-UHFFFAOYSA-N	0	0	300.112	2.277	10	5		DEBERN
COCCCOC1CN(C(=O)Nc2cccc([N+](=O)[O-])c2C)C1	ZINC000136721985	196550064	/nfs/dbraw/zinc/55/00/64/196550064.db2.gz	DSSDFICDTQEWOM-UHFFFAOYSA-N	0	0	323.349	2.172	10	5		DEBERN
CCc1noc(C)c1NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000192958435	225147169	/nfs/dbraw/zinc/14/71/69/225147169.db2.gz	LXEMITYBAWBMEU-UHFFFAOYSA-N	0	0	318.289	2.031	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)CCSC)n1	ZINC000191623941	225115101	/nfs/dbraw/zinc/11/51/01/225115101.db2.gz	FLSQISUGBDBKHE-SECBINFHSA-N	0	0	300.384	2.025	10	5		DEBERN
Cn1cc(CNc2ncc([N+](=O)[O-])s2)c(C(F)(F)F)n1	ZINC000192504596	225135374	/nfs/dbraw/zinc/13/53/74/225135374.db2.gz	YMNPMBNWIJVQTI-UHFFFAOYSA-N	0	0	307.257	2.416	10	5		DEBERN
Cc1cnc(N2CCC[C@H](c3ccnc(N)n3)C2)c([N+](=O)[O-])c1	ZINC000193536561	267758615	/nfs/dbraw/zinc/75/86/15/267758615.db2.gz	RHXORSJXRRENLH-NSHDSACASA-N	0	0	314.349	2.054	10	5		DEBERN
CC1(C)SC[C@@H]1Nc1c(Br)cncc1[N+](=O)[O-]	ZINC000338419386	275883717	/nfs/dbraw/zinc/88/37/17/275883717.db2.gz	DCGANFWAIZYLJN-QMMMGPOBSA-N	0	0	318.196	2.480	10	5		DEBERN
CC(C)c1n[nH]c(C(=O)N2CCC[C@@H]3COCC[C@H]32)c1[N+](=O)[O-]	ZINC000408003075	278000127	/nfs/dbraw/zinc/00/01/27/278000127.db2.gz	IEYRUUVNZZXPJS-GHMZBOCLSA-N	0	0	322.365	2.082	10	5		DEBERN
C[C@@H]1[C@@H](C(F)(F)F)CCN1c1ccc2ncc([N+](=O)[O-])n2n1	ZINC000359857752	279078365	/nfs/dbraw/zinc/07/83/65/279078365.db2.gz	QOWOGYUHOZASBT-SFYZADRCSA-N	0	0	315.255	2.415	10	5		DEBERN
Cc1c(C(=O)N2[C@@H](C)COC[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000131127494	280213847	/nfs/dbraw/zinc/21/38/47/280213847.db2.gz	QZLPUKOLQNTLOO-IUCAKERBSA-N	0	0	323.305	2.061	10	5		DEBERN
Cc1cc(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)c(N)c([N+](=O)[O-])c1	ZINC000246591939	280352454	/nfs/dbraw/zinc/35/24/54/280352454.db2.gz	BBAKEDNTWKHZJB-SUHUHFCYSA-N	0	0	319.361	2.173	10	5		DEBERN
COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCC[C@@H]2CCO)c1	ZINC000302461488	534247024	/nfs/dbraw/zinc/24/70/24/534247024.db2.gz	RNOMKKRGYBEZBA-PWSUYJOCSA-N	0	0	308.334	2.344	10	5		DEBERN
CCCCN(CCO)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21	ZINC000157735222	520517742	/nfs/dbraw/zinc/51/77/42/520517742.db2.gz	WDFOKNJDLJGKCO-UHFFFAOYSA-N	0	0	305.334	2.311	10	5		DEBERN
COC(=O)[C@@H](C)CN(C(=O)c1ccc([N+](=O)[O-])cc1C)C1CC1	ZINC000102610148	523494228	/nfs/dbraw/zinc/49/42/28/523494228.db2.gz	BENMZIDULCXMPD-NSHDSACASA-N	0	0	320.345	2.317	10	5		DEBERN
O=C(NCCCc1cccc(F)c1)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000193570347	534850266	/nfs/dbraw/zinc/85/02/66/534850266.db2.gz	SSLTXRCIADMQFL-UHFFFAOYSA-N	0	0	319.292	2.197	10	5		DEBERN
O=C(NCCCc1ccccn1)c1ccc([N+](=O)[O-])cc1F	ZINC000178831138	534852015	/nfs/dbraw/zinc/85/20/15/534852015.db2.gz	PDMYXOJWLXONIJ-UHFFFAOYSA-N	0	0	303.293	2.492	10	5		DEBERN
O=[N+]([O-])c1ccc(CN2CC(O)(c3ccc(F)cc3)C2)cc1	ZINC000364328461	527349323	/nfs/dbraw/zinc/34/93/23/527349323.db2.gz	NTJAKADDUIXEGV-UHFFFAOYSA-N	0	0	302.305	2.437	10	5		DEBERN
CCCCN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CCC[C@@H](C)C1	ZINC000359256924	535181529	/nfs/dbraw/zinc/18/15/29/535181529.db2.gz	GXBYQTWIKMCIJR-OLZOCXBDSA-N	0	0	323.397	2.394	10	5		DEBERN
CCOC(=O)c1cc(NC[C@H](CO)C2CC2)ccc1[N+](=O)[O-]	ZINC000357813641	535681153	/nfs/dbraw/zinc/68/11/53/535681153.db2.gz	TUCDGVQBGJYKHF-LLVKDONJSA-N	0	0	308.334	2.202	10	5		DEBERN
COC[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1F)C(F)(F)F	ZINC000362203026	536806542	/nfs/dbraw/zinc/80/65/42/536806542.db2.gz	JBNLWPNLLNQTHN-LLVKDONJSA-N	0	0	324.230	2.431	10	5		DEBERN
CCOc1ccccc1[C@@H](C)OC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000050207191	623857022	/nfs/dbraw/zinc/85/70/22/623857022.db2.gz	YBZQIAYTPNBFHV-LLVKDONJSA-N	0	0	319.317	2.494	10	5		DEBERN
Cc1cc(C(=O)OCCN2CCSCC2)ccc1[N+](=O)[O-]	ZINC000127973037	624917306	/nfs/dbraw/zinc/91/73/06/624917306.db2.gz	JIFBIGXVEMBGFE-UHFFFAOYSA-N	0	0	310.375	2.109	10	5		DEBERN
CCCOc1ccc(COC(=O)Cn2ccc([N+](=O)[O-])n2)cc1	ZINC000066545621	625126304	/nfs/dbraw/zinc/12/63/04/625126304.db2.gz	PWGYUOLJFURKOB-UHFFFAOYSA-N	0	0	319.317	2.324	10	5		DEBERN
CC(C)(C)OC(=O)N1CCCN(c2ccncc2[N+](=O)[O-])CC1	ZINC000066810084	625254606	/nfs/dbraw/zinc/25/46/06/625254606.db2.gz	VKPFPJJNCYIXIK-UHFFFAOYSA-N	0	0	322.365	2.437	10	5		DEBERN
CCn1cc(NC(=S)NNc2ccc([N+](=O)[O-])cc2)cn1	ZINC000726120821	636409912	/nfs/dbraw/zinc/40/99/12/636409912.db2.gz	WNPNKMIYGGXJPI-UHFFFAOYSA-N	0	0	306.351	2.125	10	5		DEBERN
Cc1cc(C(=O)NC[C@@H](C)c2ccncc2)c(N)c([N+](=O)[O-])c1	ZINC000749471495	638653082	/nfs/dbraw/zinc/65/30/82/638653082.db2.gz	GUQJUGHBHGYJEN-LLVKDONJSA-N	0	0	314.345	2.414	10	5		DEBERN
CCOC(=O)[C@H](CC1CC1)NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000752382553	639177212	/nfs/dbraw/zinc/17/72/12/639177212.db2.gz	FDKCZVANXNPAJH-ZDUSSCGKSA-N	0	0	306.318	2.056	10	5		DEBERN
CCOC(=O)[C@@H](CC1CC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1	ZINC000752386908	639179520	/nfs/dbraw/zinc/17/95/20/639179520.db2.gz	ZKNVWTSIBCSCEM-CYBMUJFWSA-N	0	0	324.308	2.196	10	5		DEBERN
CC(=CC(=O)NCc1cc(C)n[nH]1)c1ccc([N+](=O)[O-])cc1	ZINC000752387888	639179659	/nfs/dbraw/zinc/17/96/59/639179659.db2.gz	VAFYCGXLBNBVCW-YFHOEESVSA-N	0	0	300.318	2.346	10	5		DEBERN
CC(=CC(=O)NCc1ccc(=O)[nH]c1)c1ccc([N+](=O)[O-])cc1	ZINC000752410895	639181801	/nfs/dbraw/zinc/18/18/01/639181801.db2.gz	HMJAMYIHENHNRO-FLIBITNWSA-N	0	0	313.313	2.415	10	5		DEBERN
C/C(=C\C(=O)NCC[C@H](C)[S@](C)=O)c1ccc([N+](=O)[O-])cc1	ZINC000752579390	639199806	/nfs/dbraw/zinc/19/98/06/639199806.db2.gz	JJTISVZZZMVFSL-NSZDVXIPSA-N	0	0	324.402	2.271	10	5		DEBERN
CC(=CC(=O)N1CCc2c[nH]nc2C1)c1ccc([N+](=O)[O-])cc1	ZINC000752641049	639204954	/nfs/dbraw/zinc/20/49/54/639204954.db2.gz	KKOSLMVXESBCJS-FLIBITNWSA-N	0	0	312.329	2.306	10	5		DEBERN
C/C(=C/C(=O)N[C@H](C)c1ncon1)c1ccc([N+](=O)[O-])cc1	ZINC000752701373	639210082	/nfs/dbraw/zinc/21/00/82/639210082.db2.gz	MWGBNEBWMCKXGP-UJICNMFASA-N	0	0	302.290	2.259	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C(=O)N(C)C)C(C)C	ZINC000729708266	640829768	/nfs/dbraw/zinc/82/97/68/640829768.db2.gz	FPFOLZDWSQWSJC-ZDUSSCGKSA-N	0	0	308.334	2.173	10	5		DEBERN
CCOc1ccc(C(=O)O[C@@H](C)c2nncn2C)cc1[N+](=O)[O-]	ZINC000805369351	641095746	/nfs/dbraw/zinc/09/57/46/641095746.db2.gz	UMPOFPCPUAMSPE-VIFPVBQESA-N	0	0	320.305	2.040	10	5		DEBERN
COC(=O)c1ccoc1C(=O)OCCc1ccc([N+](=O)[O-])cc1	ZINC000800267279	645249469	/nfs/dbraw/zinc/24/94/69/645249469.db2.gz	DAMCAUDPQOTFEK-UHFFFAOYSA-N	0	0	319.269	2.374	10	5		DEBERN
O=C(CCCNc1ccc([N+](=O)[O-])cc1)OC[C@H]1CCOC1	ZINC000103657650	645439928	/nfs/dbraw/zinc/43/99/28/645439928.db2.gz	CWSBHVCCWOPGHR-LBPRGKRZSA-N	0	0	308.334	2.367	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCCCC(=O)N(C)C	ZINC000802983228	645590984	/nfs/dbraw/zinc/59/09/84/645590984.db2.gz	UGJKUEABGGZJQR-QXMHVHEDSA-N	0	0	320.345	2.410	10	5		DEBERN
C[C@H]1CO[C@H](c2ccccc2)CN1Cn1nccc1[N+](=O)[O-]	ZINC000171044035	646683880	/nfs/dbraw/zinc/68/38/80/646683880.db2.gz	IRXUYFFTZWMBSE-JSGCOSHPSA-N	0	0	302.334	2.211	10	5		DEBERN
O=C(CCn1cc([N+](=O)[O-])cn1)OCCOC1CCCCC1	ZINC000172668513	646746207	/nfs/dbraw/zinc/74/62/07/646746207.db2.gz	GSBZNEHZPWYLHX-UHFFFAOYSA-N	0	0	311.338	2.074	10	5		DEBERN
Cc1nn(C)cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C	ZINC000172764514	646751060	/nfs/dbraw/zinc/75/10/60/646751060.db2.gz	AKLXTOPQZAPZKS-UHFFFAOYSA-N	0	0	319.277	2.106	10	5		DEBERN
O=C(OCc1ccoc1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000109185351	651868718	/nfs/dbraw/zinc/86/87/18/651868718.db2.gz	ALIGZICRPUSIRB-UHFFFAOYSA-N	0	0	314.257	2.126	10	5		DEBERN
COC(=O)[C@H]1C[C@H]1C(=O)Oc1cc([N+](=O)[O-])c(Cl)cc1C	ZINC000118295736	684070972	/nfs/dbraw/zinc/07/09/72/684070972.db2.gz	GSTXGGQGHLOIIU-JGVFFNPUSA-N	0	0	313.693	2.271	10	5		DEBERN
O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)c1cnccn1	ZINC000119634153	684084929	/nfs/dbraw/zinc/08/49/29/684084929.db2.gz	DSSFRRJVEKMESE-UHFFFAOYSA-N	0	0	323.106	2.400	10	5		DEBERN
Cc1nnc(COc2ccc(C=O)cc2[N+](=O)[O-])n1C1CC1	ZINC000130512604	684189957	/nfs/dbraw/zinc/18/99/57/684189957.db2.gz	ZLLCVFPYCJKILP-UHFFFAOYSA-N	0	0	302.290	2.221	10	5		DEBERN
C[C@H]1OCC[C@H]1S(=O)(=O)Oc1ccc([N+](=O)[O-])c(Cl)c1	ZINC000135548131	684235959	/nfs/dbraw/zinc/23/59/59/684235959.db2.gz	FEJXLFGOIAYDNU-RDDDGLTNSA-N	0	0	321.738	2.134	10	5		DEBERN
C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1CN1C(=O)CC(C)(C)C1=O	ZINC000195402008	685097140	/nfs/dbraw/zinc/09/71/40/685097140.db2.gz	DITSKGDBYBMJEN-SNVBAGLBSA-N	0	0	317.345	2.088	10	5		DEBERN
COc1ccc(NC(=O)c2ccc(Cl)nn2)c([N+](=O)[O-])c1	ZINC000038102812	1078216949	/nfs/dbraw/zinc/21/69/49/1078216949.db2.gz	XZMDISMJNRXPGO-UHFFFAOYSA-N	0	0	308.681	2.299	10	5		DEBERN
CO[C@@](C)(CO)CNc1cc(Br)ccc1[N+](=O)[O-]	ZINC000702519030	1086438072	/nfs/dbraw/zinc/43/80/72/1086438072.db2.gz	YCQSJDRLOFQRPZ-LLVKDONJSA-N	0	0	319.155	2.167	10	5		DEBERN
CO[C@@]1(CNc2ccc([N+](=O)[O-])c(N)c2F)CCSC1	ZINC000719259653	1088915666	/nfs/dbraw/zinc/91/56/66/1088915666.db2.gz	NGCVJTJAMWWKGT-GFCCVEGCSA-N	0	0	301.343	2.250	10	5		DEBERN
CO[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCSC1	ZINC000719328259	1088955144	/nfs/dbraw/zinc/95/51/44/1088955144.db2.gz	YYUCIEPORXCQPM-ZDUSSCGKSA-N	0	0	300.355	2.346	10	5		DEBERN
Cc1c(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2C)cccc1[N+](=O)[O-]	ZINC000076728620	185036229	/nfs/dbraw/zinc/03/62/29/185036229.db2.gz	GEGMJXGRQVXYQC-QWRGUYRKSA-N	0	0	319.361	2.489	10	5		DEBERN
CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CCCO1	ZINC000076745222	185039018	/nfs/dbraw/zinc/03/90/18/185039018.db2.gz	QBULQAIFIIBFNL-CYBMUJFWSA-N	0	0	318.333	2.256	10	5		DEBERN
COCCN(CCO)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000164556899	197656966	/nfs/dbraw/zinc/65/69/66/197656966.db2.gz	FUZFGPFGMMVGEM-UHFFFAOYSA-N	0	0	308.256	2.059	10	5		DEBERN
Nc1nnc(-c2cc(Br)cc([N+](=O)[O-])c2)s1	ZINC000165513404	197676590	/nfs/dbraw/zinc/67/65/90/197676590.db2.gz	VHBFBGYVOWZJHB-UHFFFAOYSA-N	0	0	301.125	2.458	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cc2n(n1)CCCO2	ZINC000090626676	185307408	/nfs/dbraw/zinc/30/74/08/185307408.db2.gz	PXTWGOHIJFZWDY-UHFFFAOYSA-N	0	0	302.290	2.135	10	5		DEBERN
CCCN(CCC)c1c([N+](=O)[O-])cc(C(N)=O)cc1[N+](=O)[O-]	ZINC000005011379	190620060	/nfs/dbraw/zinc/62/00/60/190620060.db2.gz	XFDXNBOTTKUHKE-UHFFFAOYSA-N	0	0	310.310	2.228	10	5		DEBERN
CCc1nc([C@@H](C)NC(=O)c2nn(CC)cc2[N+](=O)[O-])cs1	ZINC000191612045	529745019	/nfs/dbraw/zinc/74/50/19/529745019.db2.gz	NOPPQRGMBFOXKK-MRVPVSSYSA-N	0	0	323.378	2.321	10	5		DEBERN
Cc1cc(COCC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)on1	ZINC000193403713	282349768	/nfs/dbraw/zinc/34/97/68/282349768.db2.gz	KKHMKEVSLNWUFM-NSHDSACASA-N	0	0	319.317	2.285	10	5		DEBERN
COC(=O)c1cnc(NC[C@@H](C)c2ccncc2)c([N+](=O)[O-])c1	ZINC000616374496	362839524	/nfs/dbraw/zinc/83/95/24/362839524.db2.gz	ABRILPRUHAYJGS-SNVBAGLBSA-N	0	0	316.317	2.387	10	5		DEBERN
CC(C)(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)S(C)(=O)=O	ZINC000070128157	190860213	/nfs/dbraw/zinc/86/02/13/190860213.db2.gz	FYRKDSDFHDDQJE-UHFFFAOYSA-N	0	0	310.331	2.082	10	5		DEBERN
CCNc1ccc(C(=O)NCc2cscn2)cc1[N+](=O)[O-]	ZINC000070168255	190866265	/nfs/dbraw/zinc/86/62/65/190866265.db2.gz	KHHDYHURVOJGHQ-UHFFFAOYSA-N	0	0	306.347	2.413	10	5		DEBERN
CNc1cccc(S(=O)(=O)N(C)CCC(C)C)c1[N+](=O)[O-]	ZINC000126974704	185908902	/nfs/dbraw/zinc/90/89/02/185908902.db2.gz	JDCZNDBSVZYHJW-UHFFFAOYSA-N	0	0	315.395	2.303	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](O)C(C)(C)C1	ZINC000279959361	215271929	/nfs/dbraw/zinc/27/19/29/215271929.db2.gz	YBUJLKONONKNPV-ZHZWZMEUSA-N	0	0	304.346	2.227	10	5		DEBERN
Cc1nc(N)ccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000071663438	191000053	/nfs/dbraw/zinc/00/00/53/191000053.db2.gz	HTIXFFRDMHACPX-UHFFFAOYSA-N	0	0	317.261	2.041	10	5		DEBERN
CNc1ccc(S(=O)(=O)N[C@@H](C)C2CCC2)c([N+](=O)[O-])c1	ZINC000138105914	186014459	/nfs/dbraw/zinc/01/44/59/186014459.db2.gz	KMNXKFMZJYGWNH-VIFPVBQESA-N	0	0	313.379	2.103	10	5		DEBERN
Cc1cc(NCc2cccnc2-n2ccnc2)ncc1[N+](=O)[O-]	ZINC000080597987	192172106	/nfs/dbraw/zinc/17/21/06/192172106.db2.gz	YPHFGYAIXVSJFZ-UHFFFAOYSA-N	0	0	310.317	2.491	10	5		DEBERN
O=C(NCCCc1ncc[nH]1)c1cccc([N+](=O)[O-])c1Cl	ZINC000139445465	186022193	/nfs/dbraw/zinc/02/21/93/186022193.db2.gz	ZUKIFQHIJFFUGO-UHFFFAOYSA-N	0	0	308.725	2.334	10	5		DEBERN
CCNc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)C2CCC2)c1	ZINC000144243478	186034644	/nfs/dbraw/zinc/03/46/44/186034644.db2.gz	FDRWIKIAVZVYBS-UHFFFAOYSA-N	0	0	313.379	2.200	10	5		DEBERN
CC(=O)Nc1cccc(Cn2cc([N+](=O)[O-])cc(C)c2=O)c1	ZINC000155844633	186117728	/nfs/dbraw/zinc/11/77/28/186117728.db2.gz	VKWFWLDIEFMKON-UHFFFAOYSA-N	0	0	301.302	2.072	10	5		DEBERN
CO[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[C@@H]1C	ZINC000188029702	186246353	/nfs/dbraw/zinc/24/63/53/186246353.db2.gz	NYUQJJBRRUIVJZ-NHYWBVRUSA-N	0	0	321.377	2.158	10	5		DEBERN
Cc1cc(N2CCC(Cn3cccn3)CC2)ncc1[N+](=O)[O-]	ZINC000266857524	186361241	/nfs/dbraw/zinc/36/12/41/186361241.db2.gz	VAPDJXAYWIMFRG-UHFFFAOYSA-N	0	0	301.350	2.411	10	5		DEBERN
Cc1cc(N[C@H]2CCc3nnc(C(C)C)n3C2)ncc1[N+](=O)[O-]	ZINC000173915074	198267964	/nfs/dbraw/zinc/26/79/64/198267964.db2.gz	BFMYVSLZZXXYAQ-NSHDSACASA-N	0	0	316.365	2.440	10	5		DEBERN
CC(=O)c1ccc(N2CCN(CC(F)F)CC2)c([N+](=O)[O-])c1	ZINC000057857112	354582846	/nfs/dbraw/zinc/58/28/46/354582846.db2.gz	GTYVBHAIGSJWHK-UHFFFAOYSA-N	0	0	313.304	2.185	10	5		DEBERN
COC(=O)c1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)n1	ZINC000004747562	181147636	/nfs/dbraw/zinc/14/76/36/181147636.db2.gz	QEGWTGPTMDLYEJ-UHFFFAOYSA-N	0	0	301.258	2.029	10	5		DEBERN
O=[N+]([O-])c1cnc(N2CC[C@@](O)(C(F)(F)F)C2)c(Cl)c1	ZINC000078299918	355252224	/nfs/dbraw/zinc/25/22/24/355252224.db2.gz	NWRPAMRRNUXETG-VIFPVBQESA-N	0	0	311.647	2.147	10	5		DEBERN
O=[N+]([O-])c1ccc(N2CCCC[C@H]2CN2CCOCC2)cc1	ZINC000091483122	355599298	/nfs/dbraw/zinc/59/92/98/355599298.db2.gz	DJMUTHRVMPMVLF-INIZCTEOSA-N	0	0	305.378	2.286	10	5		DEBERN
C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCCC1	ZINC000079603192	191954421	/nfs/dbraw/zinc/95/44/21/191954421.db2.gz	KNGNCBHWGMJFQI-NSHDSACASA-N	0	0	320.349	2.117	10	5		DEBERN
CCOC(=O)C(F)(F)[C@]1(N)CCCc2ccc([N+](=O)[O-])cc21	ZINC000214830113	356271361	/nfs/dbraw/zinc/27/13/61/356271361.db2.gz	YXMOWJXNAAIBEA-ZDUSSCGKSA-N	0	0	314.288	2.284	10	5		DEBERN
CN1CCO[C@H](CSCc2ccc([N+](=O)[O-])cc2F)C1	ZINC000400797792	356725599	/nfs/dbraw/zinc/72/55/99/356725599.db2.gz	OJVDXTLJEJMHIY-LBPRGKRZSA-N	0	0	300.355	2.298	10	5		DEBERN
CC(=O)c1cc(N2C[C@@H](O)CC(F)(F)C2)ccc1[N+](=O)[O-]	ZINC000588029128	357389674	/nfs/dbraw/zinc/38/96/74/357389674.db2.gz	MYITWOKVUPSOJK-JTQLQIEISA-N	0	0	300.261	2.004	10	5		DEBERN
CC(=O)N1CC[C@@H](CNc2ccc([N+](=O)[O-])c3cnccc23)C1	ZINC000589101653	357442854	/nfs/dbraw/zinc/44/28/54/357442854.db2.gz	GUBKSEXDWKSBLM-LBPRGKRZSA-N	0	0	314.345	2.423	10	5		DEBERN
CCc1nn(C)c(N2CC[C@]3(C)[C@H](C2)C3(F)F)c1[N+](=O)[O-]	ZINC000589868348	357501809	/nfs/dbraw/zinc/50/18/09/357501809.db2.gz	XKNLQAIZAIPXGX-JOYOIKCWSA-N	0	0	300.309	2.372	10	5		DEBERN
C[C@@H](NCc1nnc(C2CC2)n1C)c1cccc([N+](=O)[O-])c1	ZINC000180395236	199153646	/nfs/dbraw/zinc/15/36/46/199153646.db2.gz	WDYPBUMTFASROX-SNVBAGLBSA-N	0	0	301.350	2.452	10	5		DEBERN
C/C=C/C[C@@H](CO)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000187140522	200067571	/nfs/dbraw/zinc/06/75/71/200067571.db2.gz	TWFUHDWZQYZGJO-PBKGFPTLSA-N	0	0	303.318	2.133	10	5		DEBERN
CCOC(=O)CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C(C)(C)C	ZINC000187474148	200117066	/nfs/dbraw/zinc/11/70/66/200117066.db2.gz	PMCXZEMNTPOMCI-UHFFFAOYSA-N	0	0	322.361	2.328	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)CC1CC(O)C1	ZINC000190077675	200483584	/nfs/dbraw/zinc/48/35/84/200483584.db2.gz	UJOISWFWJUVHFH-UHFFFAOYSA-N	0	0	307.350	2.446	10	5		DEBERN
CSc1ccc(C(=O)N2CCC(=O)[C@H](C)C2)cc1[N+](=O)[O-]	ZINC000193132760	200997231	/nfs/dbraw/zinc/99/72/31/200997231.db2.gz	DOZVXGVOFUSAHA-SECBINFHSA-N	0	0	308.359	2.368	10	5		DEBERN
O=C([C@@H]1CCCN(c2ccccc2[N+](=O)[O-])C1)N1CCCC1	ZINC000609514459	361316454	/nfs/dbraw/zinc/31/64/54/361316454.db2.gz	KQKWNTTUPBKXIJ-CYBMUJFWSA-N	0	0	303.362	2.434	10	5		DEBERN
CCCCOC[C@H](O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000193254765	201014059	/nfs/dbraw/zinc/01/40/59/201014059.db2.gz	HHGYMXYJPGMDCY-CQSZACIVSA-N	0	0	320.349	2.031	10	5		DEBERN
Nc1ccc([N+](=O)[O-])c(N[C@@H]2CCCN(c3ncccn3)C2)c1	ZINC000193388784	201042299	/nfs/dbraw/zinc/04/22/99/201042299.db2.gz	JDTCLYFVCLDEIG-GFCCVEGCSA-N	0	0	314.349	2.048	10	5		DEBERN
CCOC(=O)c1[nH]c(C)nc1NC(=O)c1csc([N+](=O)[O-])c1	ZINC000610109248	361359750	/nfs/dbraw/zinc/35/97/50/361359750.db2.gz	LPILRQVVWRAJDB-UHFFFAOYSA-N	0	0	324.318	2.117	10	5		DEBERN
CCOC(=O)CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C	ZINC000193832235	201131250	/nfs/dbraw/zinc/13/12/50/201131250.db2.gz	PANUWUWCHXJYPQ-UHFFFAOYSA-N	0	0	322.361	2.328	10	5		DEBERN
CCOc1ccc(C(=O)N2CCCOC[C@H]2C)cc1[N+](=O)[O-]	ZINC000610948313	361497533	/nfs/dbraw/zinc/49/75/33/361497533.db2.gz	BADLYWZHDVXQBJ-LLVKDONJSA-N	0	0	308.334	2.245	10	5		DEBERN
COc1cc(N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c(F)cc1[N+](=O)[O-]	ZINC000611256033	361563719	/nfs/dbraw/zinc/56/37/19/361563719.db2.gz	FUPKNHPVZYSDAX-KBVBSXBZSA-N	0	0	323.324	2.164	10	5		DEBERN
C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCOCC2(CC2)C1	ZINC000611813096	361688494	/nfs/dbraw/zinc/68/84/94/361688494.db2.gz	CBGAHJGMBHCDQF-GFCCVEGCSA-N	0	0	319.361	2.034	10	5		DEBERN
CC(C)(C[C@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1)C(N)=O	ZINC000450642197	242055322	/nfs/dbraw/zinc/05/53/22/242055322.db2.gz	ZYYZYPXPFLYBIE-LLVKDONJSA-N	0	0	306.366	2.108	10	5		DEBERN
CC(=O)c1cc(N2CC[C@](O)(C(F)F)C2)ccc1[N+](=O)[O-]	ZINC000450700891	242115451	/nfs/dbraw/zinc/11/54/51/242115451.db2.gz	FPEKMQGHQMGGFW-CYBMUJFWSA-N	0	0	300.261	2.004	10	5		DEBERN
Cc1ccc(NS(=O)(=O)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-]	ZINC000093906493	193327679	/nfs/dbraw/zinc/32/76/79/193327679.db2.gz	ZVZPSIMFMXDPOS-SNVBAGLBSA-N	0	0	313.379	2.292	10	5		DEBERN
C[C@@](N)(c1nc(-c2ccccc2[N+](=O)[O-])no1)C(F)(F)F	ZINC000094223444	193350680	/nfs/dbraw/zinc/35/06/80/193350680.db2.gz	QSGNNSUDVHJNIR-SNVBAGLBSA-N	0	0	302.212	2.381	10	5		DEBERN
CCNc1cc(C)c(S(=O)(=O)NC(C)C)cc1[N+](=O)[O-]	ZINC000094780416	193397683	/nfs/dbraw/zinc/39/76/83/193397683.db2.gz	FATFBPWSMVGCRX-UHFFFAOYSA-N	0	0	301.368	2.022	10	5		DEBERN
CCCNc1cc(C)c(S(=O)(=O)NCCC)cc1[N+](=O)[O-]	ZINC000094780396	193398001	/nfs/dbraw/zinc/39/80/01/193398001.db2.gz	ZVVFBAAWYMZUTG-UHFFFAOYSA-N	0	0	315.395	2.413	10	5		DEBERN
O=[N+]([O-])c1cccc(-c2nnc(CN3CCSCC3)o2)c1	ZINC000020457262	182220073	/nfs/dbraw/zinc/22/00/73/182220073.db2.gz	HWCRWKYDTHFFEO-UHFFFAOYSA-N	0	0	306.347	2.194	10	5		DEBERN
O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1C[C@@H]2CC[C@H](O)[C@@H]2C1	ZINC000124875018	296210482	/nfs/dbraw/zinc/21/04/82/296210482.db2.gz	ZGZUVXOZHRQDJU-KDDOJWQBSA-N	0	0	310.737	2.091	10	5		DEBERN
COC(=O)c1c(C)nc(-c2ccc([N+](=O)[O-])cc2)[nH]c1=S	ZINC000021817018	182292557	/nfs/dbraw/zinc/29/25/57/182292557.db2.gz	BBZMOFMMECLYDN-UHFFFAOYSA-N	0	0	305.315	2.436	10	5		DEBERN
COC(=O)CCCCCNC(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000024464955	182381249	/nfs/dbraw/zinc/38/12/49/182381249.db2.gz	NQUINYDSGWWTBF-UHFFFAOYSA-N	0	0	308.334	2.366	10	5		DEBERN
CN(CC1CC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000038000576	182958024	/nfs/dbraw/zinc/95/80/24/182958024.db2.gz	JOQYDQCAXFLYCU-UHFFFAOYSA-N	0	0	304.755	2.279	10	5		DEBERN
CC[C@@H](C)NC(=O)[C@H](C)n1cc(Br)c([N+](=O)[O-])n1	ZINC000040517348	183089524	/nfs/dbraw/zinc/08/95/24/183089524.db2.gz	CHZZLIFLGIVLSQ-RQJHMYQMSA-N	0	0	319.159	2.030	10	5		DEBERN
CC(=O)N1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])[C@H](C)C1	ZINC000493382955	249288216	/nfs/dbraw/zinc/28/82/16/249288216.db2.gz	JCLGQFXKUFNDPW-SNVBAGLBSA-N	0	0	311.769	2.301	10	5		DEBERN
C[C@H](N(C)S(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1)C(C)(C)C	ZINC000042782305	183308617	/nfs/dbraw/zinc/30/86/17/183308617.db2.gz	UGWKTHOOPBIXFK-VIFPVBQESA-N	0	0	315.395	2.232	10	5		DEBERN
COC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC(C)(C)O1	ZINC000284860401	218210435	/nfs/dbraw/zinc/21/04/35/218210435.db2.gz	FFUFKJQHHJVYAC-JTQLQIEISA-N	0	0	315.757	2.273	10	5		DEBERN
CCC[C@H](CC)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC	ZINC000050661203	183796563	/nfs/dbraw/zinc/79/65/63/183796563.db2.gz	FGVDNFFCODVIES-JTQLQIEISA-N	0	0	315.395	2.494	10	5		DEBERN
CCNc1ccc(S(=O)(=O)N[C@H]2CC2(C)C)c([N+](=O)[O-])c1	ZINC000050671389	183797503	/nfs/dbraw/zinc/79/75/03/183797503.db2.gz	GCCYYCPNPRIWSU-LBPRGKRZSA-N	0	0	313.379	2.103	10	5		DEBERN
Cc1nc(Cc2noc(-c3ccc([N+](=O)[O-])cc3F)n2)no1	ZINC000109510128	194270055	/nfs/dbraw/zinc/27/00/55/194270055.db2.gz	CUBSIAJDTMZACB-UHFFFAOYSA-N	0	0	305.225	2.066	10	5		DEBERN
COC(=O)CCCN(C)c1cc(OC)c(F)cc1[N+](=O)[O-]	ZINC000110626011	194343601	/nfs/dbraw/zinc/34/36/01/194343601.db2.gz	KVEFZADAOXRLEY-UHFFFAOYSA-N	0	0	300.286	2.132	10	5		DEBERN
O=C(c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](c2nccs2)C1	ZINC000110880535	194366325	/nfs/dbraw/zinc/36/63/25/194366325.db2.gz	GHKOOONSAUVWRR-GFCCVEGCSA-N	0	0	319.342	2.265	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)Cn1cccn1	ZINC000273414131	210752712	/nfs/dbraw/zinc/75/27/12/210752712.db2.gz	UFPHGLYIKHJFPP-XSNHNAGMSA-N	0	0	314.345	2.400	10	5		DEBERN
O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1nc2ccccc2[nH]1	ZINC000057312154	184032898	/nfs/dbraw/zinc/03/28/98/184032898.db2.gz	NKTSWYXGALCHLS-UHFFFAOYSA-N	0	0	319.298	2.239	10	5		DEBERN
O=C([O-])[C@H](CCOc1ccc([N+](=O)[O-])cc1Cl)[NH2+]C1CC1	ZINC000062539671	184241715	/nfs/dbraw/zinc/24/17/15/184241715.db2.gz	XBRPGZSRUTWJQV-NSHDSACASA-N	0	0	314.725	2.222	10	5		DEBERN
O=C([O-])[C@H](CCOc1cc(Cl)ccc1[N+](=O)[O-])[NH2+]C1CC1	ZINC000062595813	184244322	/nfs/dbraw/zinc/24/43/22/184244322.db2.gz	VZBPNCRVCRNFNF-JTQLQIEISA-N	0	0	314.725	2.222	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3ccccc3C2)s1	ZINC000064240210	184293189	/nfs/dbraw/zinc/29/31/89/184293189.db2.gz	CHBMUVDXQJERMM-UHFFFAOYSA-N	0	0	324.383	2.403	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2ccsc2)s1	ZINC000064245454	184293263	/nfs/dbraw/zinc/29/32/63/184293263.db2.gz	UNFZGTVDURTCKD-UHFFFAOYSA-N	0	0	318.401	2.239	10	5		DEBERN
Cc1nc(CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)no1	ZINC000120038386	195085212	/nfs/dbraw/zinc/08/52/12/195085212.db2.gz	OHGDLEHHAAVUQN-UHFFFAOYSA-N	0	0	305.294	2.225	10	5		DEBERN
C[C@H]1OCC[C@H]1N(C)C(=O)c1cc(F)c(F)cc1[N+](=O)[O-]	ZINC000159063913	197323694	/nfs/dbraw/zinc/32/36/94/197323694.db2.gz	VHMYEARTGYVUOZ-RDDDGLTNSA-N	0	0	300.261	2.122	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CCc1nccs1	ZINC000156608198	197126262	/nfs/dbraw/zinc/12/62/62/197126262.db2.gz	HGXNHSDUYLOUKU-UHFFFAOYSA-N	0	0	306.347	2.069	10	5		DEBERN
CCCc1n[nH]c(C(=O)N2CCO[C@@H]3CCCC[C@H]32)c1[N+](=O)[O-]	ZINC000156471922	197116216	/nfs/dbraw/zinc/11/62/16/197116216.db2.gz	WBJPCSZBJZZCLU-VXGBXAGGSA-N	0	0	322.365	2.054	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CCCN(CC(F)F)CC2)n1	ZINC000543791511	285318050	/nfs/dbraw/zinc/31/80/50/285318050.db2.gz	NIOFZOAXHUPJGL-UHFFFAOYSA-N	0	0	314.336	2.384	10	5		DEBERN
CNc1ccc(S(=O)(=O)NCCC(C)(C)C)c([N+](=O)[O-])c1	ZINC000124391543	195636506	/nfs/dbraw/zinc/63/65/06/195636506.db2.gz	IHOTVANJCAHHDD-UHFFFAOYSA-N	0	0	315.395	2.351	10	5		DEBERN
CNc1sc(S(=O)(=O)N[C@H]2CCC[C@@H]2C)cc1[N+](=O)[O-]	ZINC000125578834	195764394	/nfs/dbraw/zinc/76/43/94/195764394.db2.gz	KWBFZONMBCHLKG-YUMQZZPRSA-N	0	0	319.408	2.165	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(C[S@](C)=O)no1	ZINC000356961444	533380114	/nfs/dbraw/zinc/38/01/14/533380114.db2.gz	IONBMEPCRAMUPD-RVFJIUOTSA-N	0	0	307.331	2.417	10	5		DEBERN
O=[N+]([O-])c1c(NCC[C@@H](O)C(F)(F)F)nc2sccn21	ZINC000357915905	133109338	/nfs/dbraw/zinc/10/93/38/133109338.db2.gz	QLWKVIRJPVFPGU-RXMQYKEDSA-N	0	0	310.257	2.029	10	5		DEBERN
CN1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1=O	ZINC000359694065	133139189	/nfs/dbraw/zinc/13/91/89/133139189.db2.gz	JNCUAUAPESHLCO-UHFFFAOYSA-N	0	0	301.302	2.086	10	5		DEBERN
C=Cc1ccc(CCNc2ncc([N+](=O)[O-])cc2C(N)=O)cc1	ZINC000359953232	133154602	/nfs/dbraw/zinc/15/46/02/133154602.db2.gz	AIODUUURYRYCNO-UHFFFAOYSA-N	0	0	312.329	2.386	10	5		DEBERN
COC[C@](C)(NC(=O)c1csc([N+](=O)[O-])c1)C(F)(F)F	ZINC000362202606	133216574	/nfs/dbraw/zinc/21/65/74/133216574.db2.gz	IDMDTIMPOWAUAJ-VIFPVBQESA-N	0	0	312.269	2.354	10	5		DEBERN
O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cccc(C2CCC2)c1	ZINC000362251727	133220345	/nfs/dbraw/zinc/22/03/45/133220345.db2.gz	YTRYPKALNMLEBM-UHFFFAOYSA-N	0	0	301.306	2.093	10	5		DEBERN
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1C	ZINC000184353539	285669079	/nfs/dbraw/zinc/66/90/79/285669079.db2.gz	CJKSXUXESGMHPH-CYBMUJFWSA-N	0	0	319.317	2.094	10	5		DEBERN
CO[C@@H]1CC[C@H]2OCCN(C(=O)c3ccccc3[N+](=O)[O-])[C@@H]2C1	ZINC000120078582	285747320	/nfs/dbraw/zinc/74/73/20/285747320.db2.gz	KYFVTNODOJNAGB-KCPJHIHWSA-N	0	0	320.345	2.003	10	5		DEBERN
C[C@H](C(=O)N1CCSC[C@H]1CCO)c1cccc([N+](=O)[O-])c1	ZINC000564723445	292107236	/nfs/dbraw/zinc/10/72/36/292107236.db2.gz	UJOZHRYVRVBYFJ-SMDDNHRTSA-N	0	0	324.402	2.025	10	5		DEBERN
Cc1sc(C(=O)NC[C@@H](C)C(=O)OC(C)C)cc1[N+](=O)[O-]	ZINC000081188810	144583758	/nfs/dbraw/zinc/58/37/58/144583758.db2.gz	UVBTYFIZSSWVSA-MRVPVSSYSA-N	0	0	314.363	2.282	10	5		DEBERN
C/C(=C/c1nc(C[S@@](C)=O)no1)c1ccc([N+](=O)[O-])cc1	ZINC000356962222	147011558	/nfs/dbraw/zinc/01/15/58/147011558.db2.gz	LKDGDSVEUSMINP-XYBJCVHJSA-N	0	0	307.331	2.417	10	5		DEBERN
C/C=C/C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)OCC	ZINC000361549485	147535606	/nfs/dbraw/zinc/53/56/06/147535606.db2.gz	KXMHUDPQGKSFGE-MASHWEEQSA-N	0	0	320.345	2.151	10	5		DEBERN
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCCC12CCC2	ZINC000375525474	148382587	/nfs/dbraw/zinc/38/25/87/148382587.db2.gz	WGYOAMYVXKBDSO-UHFFFAOYSA-N	0	0	314.338	2.441	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C1CCOCC1	ZINC000408129373	148567011	/nfs/dbraw/zinc/56/70/11/148567011.db2.gz	OYJLYJKDNBUKKO-HNNXBMFYSA-N	0	0	319.361	2.329	10	5		DEBERN
CCC(C)(CC)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-]	ZINC000112938135	401762230	/nfs/dbraw/zinc/76/22/30/401762230.db2.gz	PVKUFONEKNGTQS-UHFFFAOYSA-N	0	0	308.334	2.481	10	5		DEBERN
O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000128143245	401764723	/nfs/dbraw/zinc/76/47/23/401764723.db2.gz	SUWGOYCHOBQWCC-PBHICJAKSA-N	0	0	318.373	2.291	10	5		DEBERN
CCS(=O)(=O)C[C@@H](C)Nc1ccc2ncccc2c1[N+](=O)[O-]	ZINC000113248718	401772342	/nfs/dbraw/zinc/77/23/42/401772342.db2.gz	LQMXLPJVAKAMCL-SNVBAGLBSA-N	0	0	323.374	2.378	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@H]1CC(C)C	ZINC000113846535	401786393	/nfs/dbraw/zinc/78/63/93/401786393.db2.gz	XWCYJGKWUKATPZ-ZDUSSCGKSA-N	0	0	307.350	2.185	10	5		DEBERN
C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCO1	ZINC000117601142	401880194	/nfs/dbraw/zinc/88/01/94/401880194.db2.gz	VYLCSELFFWUKKC-TVQRCGJNSA-N	0	0	312.753	2.474	10	5		DEBERN
C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCO1	ZINC000117601144	401880230	/nfs/dbraw/zinc/88/02/30/401880230.db2.gz	VYLCSELFFWUKKC-NOZJJQNGSA-N	0	0	312.753	2.474	10	5		DEBERN
O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCc2n[nH]cc21	ZINC000133454130	401887149	/nfs/dbraw/zinc/88/71/49/401887149.db2.gz	RDULICONNQMRFG-CYBMUJFWSA-N	0	0	314.345	2.097	10	5		DEBERN
O=C(c1n[nH]cc1[N+](=O)[O-])N(Cc1ccco1)C1CCCC1	ZINC000136592175	401969456	/nfs/dbraw/zinc/96/94/56/401969456.db2.gz	KHZLADKQHLMYDJ-UHFFFAOYSA-N	0	0	304.306	2.496	10	5		DEBERN
C[C@@H]1OCC[C@@H]1S(=O)(=O)Oc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000135547246	401944364	/nfs/dbraw/zinc/94/43/64/401944364.db2.gz	NXAIKLUBDAULAM-CPCISQLKSA-N	0	0	321.738	2.134	10	5		DEBERN
Cc1nn(C)c(C)c1CCNC(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000122178303	402064944	/nfs/dbraw/zinc/06/49/44/402064944.db2.gz	FTVQYCZOTGVGAV-UHFFFAOYSA-N	0	0	316.361	2.226	10	5		DEBERN
Cc1ccccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000066327404	402130946	/nfs/dbraw/zinc/13/09/46/402130946.db2.gz	MBPILWSSFQYHKA-UHFFFAOYSA-N	0	0	312.372	2.443	10	5		DEBERN
CCCC(=O)N[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1	ZINC000101563571	402149146	/nfs/dbraw/zinc/14/91/46/402149146.db2.gz	ZNIAKVLZYJCKKI-CQSZACIVSA-N	0	0	305.378	2.476	10	5		DEBERN
Cc1sc(C(=O)N2CCC[C@H]2c2nncn2C)cc1[N+](=O)[O-]	ZINC000125525736	402237293	/nfs/dbraw/zinc/23/72/93/402237293.db2.gz	SEBOTSPYUPFGOM-VIFPVBQESA-N	0	0	321.362	2.071	10	5		DEBERN
COC(=O)N[C@@H](C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)C(C)C	ZINC000108153070	402247577	/nfs/dbraw/zinc/24/75/77/402247577.db2.gz	WTIJHSUUCJVHJL-GFCCVEGCSA-N	0	0	309.322	2.222	10	5		DEBERN
Cc1c(CC(=O)NC[C@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-]	ZINC000125026505	402209543	/nfs/dbraw/zinc/20/95/43/402209543.db2.gz	YTFZRTHULNCUGQ-UKRRQHHQSA-N	0	0	306.362	2.113	10	5		DEBERN
CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCOC1	ZINC000185341717	402345180	/nfs/dbraw/zinc/34/51/80/402345180.db2.gz	VGZIEPWQSSAYMF-KBPBESRZSA-N	0	0	306.362	2.459	10	5		DEBERN
O=[N+]([O-])c1ccc(CN2CCO[C@@]3(CCOC3)C2)c(Cl)c1	ZINC000185131746	402326761	/nfs/dbraw/zinc/32/67/61/402326761.db2.gz	IFYQFDYQVCLLSZ-AWEZNQCLSA-N	0	0	312.753	2.240	10	5		DEBERN
Cc1ccc(NC(=O)N[C@H]2CCC[C@H](C(N)=O)C2)cc1[N+](=O)[O-]	ZINC000163094072	402441228	/nfs/dbraw/zinc/44/12/28/402441228.db2.gz	PGFAUBLGRGYOGH-QWRGUYRKSA-N	0	0	320.349	2.069	10	5		DEBERN
CCCN(C[C@@H]1CCCCO1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000187078178	402481840	/nfs/dbraw/zinc/48/18/40/402481840.db2.gz	HQIQQZNCLITAOR-LBPRGKRZSA-N	0	0	323.349	2.117	10	5		DEBERN
COc1ccc(C(=O)NCCCc2ccccn2)cc1[N+](=O)[O-]	ZINC000178832663	402544978	/nfs/dbraw/zinc/54/49/78/402544978.db2.gz	YGSZSRDXTPGJOT-UHFFFAOYSA-N	0	0	315.329	2.361	10	5		DEBERN
Cc1sc(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)cc1[N+](=O)[O-]	ZINC000178704917	402528761	/nfs/dbraw/zinc/52/87/61/402528761.db2.gz	LAQNTUUCJICASH-RISCZKNCSA-N	0	0	318.354	2.353	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H](O)C1(C)C	ZINC000190455243	402602143	/nfs/dbraw/zinc/60/21/43/402602143.db2.gz	HXCZIBSUYJIXOW-OJYSIEITSA-N	0	0	304.346	2.274	10	5		DEBERN
Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCOc2ccccc21	ZINC000180600903	402621562	/nfs/dbraw/zinc/62/15/62/402621562.db2.gz	NVNBZEPPWWEHKL-GFCCVEGCSA-N	0	0	313.313	2.431	10	5		DEBERN
COc1ccc2c(c1)CCN2C(=O)c1c(N)cccc1[N+](=O)[O-]	ZINC000180722093	402624226	/nfs/dbraw/zinc/62/42/26/402624226.db2.gz	XOLPBGQPAYSTPQ-UHFFFAOYSA-N	0	0	313.313	2.389	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1[C@@H](C)CC(O)C[C@@H]1C	ZINC000191178785	402648679	/nfs/dbraw/zinc/64/86/79/402648679.db2.gz	XYULHWPJMNNUIV-RYUDHWBXSA-N	0	0	321.377	2.075	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC1(C)OCCCO1	ZINC000191542456	402677580	/nfs/dbraw/zinc/67/75/80/402677580.db2.gz	QBXCCFKTIRDBFB-ZRDIBKRKSA-N	0	0	320.345	2.267	10	5		DEBERN
CCc1cnc(CCNC(=O)c2cc([N+](=O)[O-])cnc2C)s1	ZINC000173034512	402683214	/nfs/dbraw/zinc/68/32/14/402683214.db2.gz	LVMNTQPIRDYZMF-UHFFFAOYSA-N	0	0	320.374	2.290	10	5		DEBERN
COC(C)(C)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000173517126	402700514	/nfs/dbraw/zinc/70/05/14/402700514.db2.gz	BODVUGYZWFXCTK-QMMMGPOBSA-N	0	0	322.408	2.138	10	5		DEBERN
NC(=O)c1cc([N+](=O)[O-])cnc1Nc1ccc2ncsc2c1	ZINC000193965445	402780355	/nfs/dbraw/zinc/78/03/55/402780355.db2.gz	JXEOZQSSCKHVDG-UHFFFAOYSA-N	0	0	315.314	2.442	10	5		DEBERN
CCc1n[nH]c(C(=O)N(CC)[C@H](C)c2cccnc2)c1[N+](=O)[O-]	ZINC000192582124	402738582	/nfs/dbraw/zinc/73/85/82/402738582.db2.gz	YIUUBDISPJKTJF-SNVBAGLBSA-N	0	0	317.349	2.499	10	5		DEBERN
Cc1cnc(N2CCC[C@@H](c3ccnc(N)n3)C2)c([N+](=O)[O-])c1	ZINC000193536574	402772111	/nfs/dbraw/zinc/77/21/11/402772111.db2.gz	RHXORSJXRRENLH-LLVKDONJSA-N	0	0	314.349	2.054	10	5		DEBERN
CC(C)CC[C@](C)(O)CNC(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000175054660	402775150	/nfs/dbraw/zinc/77/51/50/402775150.db2.gz	YQCZALZOUUPKBQ-INIZCTEOSA-N	0	0	308.378	2.441	10	5		DEBERN
Cc1ccc(NC(=O)N[C@H]2CCCn3ncnc32)cc1[N+](=O)[O-]	ZINC000175861389	402838908	/nfs/dbraw/zinc/83/89/08/402838908.db2.gz	HYJDMUOLAPBPFV-NSHDSACASA-N	0	0	316.321	2.151	10	5		DEBERN
CS[C@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1	ZINC000265290615	402907724	/nfs/dbraw/zinc/90/77/24/402907724.db2.gz	CXUAARRJLNTXJN-SCZZXKLOSA-N	0	0	310.379	2.175	10	5		DEBERN
Cn1cc([N+](=O)[O-])c(C(=O)N2CCCCc3ccccc32)n1	ZINC000272390584	402931330	/nfs/dbraw/zinc/93/13/30/402931330.db2.gz	CUQHXFAZKNMBQX-UHFFFAOYSA-N	0	0	300.318	2.311	10	5		DEBERN
O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCN(C2CC2)CC1	ZINC000273496519	403009723	/nfs/dbraw/zinc/00/97/23/403009723.db2.gz	UIDRQAPDZCUUEM-UHFFFAOYSA-N	0	0	308.313	2.046	10	5		DEBERN
CCOC(=O)c1ccnc(N2CC[C@@H](C)[C@@H](OC)C2)c1[N+](=O)[O-]	ZINC000275976626	403136741	/nfs/dbraw/zinc/13/67/41/403136741.db2.gz	ICTIWPXTYQTYMJ-PWSUYJOCSA-N	0	0	323.349	2.028	10	5		DEBERN
C[C@@]12CCN(C(=O)c3cccc([N+](=O)[O-])c3N)C[C@@H]1C2(F)F	ZINC000293712362	403545483	/nfs/dbraw/zinc/54/54/83/403545483.db2.gz	RRVXRNPCRZTVCB-GXFFZTMASA-N	0	0	311.288	2.294	10	5		DEBERN
Cc1nn(C)c(NCCOc2ccc(F)cc2F)c1[N+](=O)[O-]	ZINC000301207486	403600671	/nfs/dbraw/zinc/60/06/71/403600671.db2.gz	UDZOETYQAXRKES-UHFFFAOYSA-N	0	0	312.276	2.406	10	5		DEBERN
COc1cc(N(C)CC(=O)NC(C)(C)C)c([N+](=O)[O-])cc1F	ZINC000301631094	403656433	/nfs/dbraw/zinc/65/64/33/403656433.db2.gz	TVMXRGWPHFUFMB-UHFFFAOYSA-N	0	0	313.329	2.093	10	5		DEBERN
CC[N@@H+]1CCc2c(cccc2Nc2ncc([N+](=O)[O-])c(N)n2)C1	ZINC000301710715	403667491	/nfs/dbraw/zinc/66/74/91/403667491.db2.gz	UXOJCHKNOIXZPX-UHFFFAOYSA-N	0	0	314.349	2.089	10	5		DEBERN
C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC(=O)N(C)[C@@H](C)C1	ZINC000337550769	404092638	/nfs/dbraw/zinc/09/26/38/404092638.db2.gz	RPOUTPGMPWQLTR-OTAKNEKHSA-N	0	0	303.362	2.161	10	5		DEBERN
COC(=O)c1cc(C)nc(N2CCC[C@H](OC)CC2)c1[N+](=O)[O-]	ZINC000370665940	404401550	/nfs/dbraw/zinc/40/15/50/404401550.db2.gz	FCFFFWHEMGFMSW-NSHDSACASA-N	0	0	323.349	2.090	10	5		DEBERN
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)[C@@H]1C	ZINC000297092092	404447492	/nfs/dbraw/zinc/44/74/92/404447492.db2.gz	NYDLSXNOSAZBAM-IUCAKERBSA-N	0	0	302.327	2.071	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC(=O)N3CCCC[C@H]23)n1	ZINC000407975282	405081225	/nfs/dbraw/zinc/08/12/25/405081225.db2.gz	HYKAAXXJZGEMSI-VXGBXAGGSA-N	0	0	304.350	2.172	10	5		DEBERN
C/C=C\C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC	ZINC000361540499	405121999	/nfs/dbraw/zinc/12/19/99/405121999.db2.gz	ZHJMGNGKNFFAIJ-PKXJPQMGSA-N	0	0	320.345	2.151	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1	ZINC000408233207	405147885	/nfs/dbraw/zinc/14/78/85/405147885.db2.gz	YUIKFTXPFLBFIL-STQMWFEESA-N	0	0	303.362	2.212	10	5		DEBERN
O=C(NC1CCC2(CCOCC2)CC1)c1cc([N+](=O)[O-])c[nH]1	ZINC000408417657	405201889	/nfs/dbraw/zinc/20/18/89/405201889.db2.gz	ZXZLISXHCMHURP-UHFFFAOYSA-N	0	0	307.350	2.392	10	5		DEBERN
Cc1cc(Cl)c(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1C	ZINC000452871594	405253260	/nfs/dbraw/zinc/25/32/60/405253260.db2.gz	JBMKXNHGWYNNFH-UHFFFAOYSA-N	0	0	309.713	2.095	10	5		DEBERN
Cc1cc(CCNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)on1	ZINC000557147902	405580540	/nfs/dbraw/zinc/58/05/40/405580540.db2.gz	HGIHSXKWJZLQON-NSHDSACASA-N	0	0	303.318	2.354	10	5		DEBERN
CC(C)c1nnc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)o1	ZINC000450253812	405800914	/nfs/dbraw/zinc/80/09/14/405800914.db2.gz	FYRZCPBYHHDBKR-UHFFFAOYSA-N	0	0	317.349	2.428	10	5		DEBERN
O=[N+]([O-])c1ccccc1/C=C\CN1CCO[C@]2(CCOC2)C1	ZINC000588487004	405879205	/nfs/dbraw/zinc/87/92/05/405879205.db2.gz	MZDRORUKKLAPDE-OICCZTGUSA-N	0	0	304.346	2.099	10	5		DEBERN
CCOc1ccc(C(=O)N(C)CC(C)(C)OC)cc1[N+](=O)[O-]	ZINC000532338195	406069296	/nfs/dbraw/zinc/06/92/96/406069296.db2.gz	SRDKVFFBXXQTEY-UHFFFAOYSA-N	0	0	310.350	2.491	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1nc(C)cs1	ZINC000487432612	406231074	/nfs/dbraw/zinc/23/10/74/406231074.db2.gz	PISJIEDEKMGXLN-UHFFFAOYSA-N	0	0	323.330	2.386	10	5		DEBERN
CNc1ccc(C(=O)Nc2nnc(C3CCC3)[nH]2)cc1[N+](=O)[O-]	ZINC000572813354	406740267	/nfs/dbraw/zinc/74/02/67/406740267.db2.gz	JZBKHZSVQNJFIW-UHFFFAOYSA-N	0	0	316.321	2.274	10	5		DEBERN
CCOC(=O)[C@@H]1CCCN1c1cc(F)cc(F)c1[N+](=O)[O-]	ZINC000129400058	196044490	/nfs/dbraw/zinc/04/44/90/196044490.db2.gz	GSHGSRXEHQQMFK-JTQLQIEISA-N	0	0	300.261	2.405	10	5		DEBERN
C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)C1	ZINC000129849800	196081127	/nfs/dbraw/zinc/08/11/27/196081127.db2.gz	CXNSVQFKSAIQIH-VIFPVBQESA-N	0	0	302.327	2.155	10	5		DEBERN
C[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131221875	196151529	/nfs/dbraw/zinc/15/15/29/196151529.db2.gz	LDACBLWCMWKRQI-GZMMTYOYSA-N	0	0	302.327	2.201	10	5		DEBERN
CCCNc1cc(S(=O)(=O)N(CC)CC)ccc1[N+](=O)[O-]	ZINC000131703029	196191776	/nfs/dbraw/zinc/19/17/76/196191776.db2.gz	GOFXKIRMYJJQLL-UHFFFAOYSA-N	0	0	315.395	2.447	10	5		DEBERN
CCNc1cc(S(=O)(=O)N(CC)C2CC2)ccc1[N+](=O)[O-]	ZINC000131884399	196207322	/nfs/dbraw/zinc/20/73/22/196207322.db2.gz	BLEXENLKFZLTOU-UHFFFAOYSA-N	0	0	313.379	2.200	10	5		DEBERN
C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)C1	ZINC000131988348	196215970	/nfs/dbraw/zinc/21/59/70/196215970.db2.gz	RKWSFVALCFJZTM-RKDXNWHRSA-N	0	0	302.327	2.201	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[C@H](C)C1	ZINC000132076173	196224032	/nfs/dbraw/zinc/22/40/32/196224032.db2.gz	KKBWVLSFSODCOL-VHSXEESVSA-N	0	0	314.363	2.070	10	5		DEBERN
CCS(=O)(=O)C[C@@H](C)Nc1cc(C)c(C)cc1[N+](=O)[O-]	ZINC000132268530	196240919	/nfs/dbraw/zinc/24/09/19/196240919.db2.gz	SJFDOEGIKIVXGZ-LLVKDONJSA-N	0	0	300.380	2.447	10	5		DEBERN
CS(=O)(=O)[C@H]1CCC[C@H]1Nc1c(F)cccc1[N+](=O)[O-]	ZINC000132431161	196255012	/nfs/dbraw/zinc/25/50/12/196255012.db2.gz	FYKVODCOPLQDOC-KOLCDFICSA-N	0	0	302.327	2.112	10	5		DEBERN
C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[S@@](C)=O	ZINC000132930123	196297315	/nfs/dbraw/zinc/29/73/15/196297315.db2.gz	XWTAJNUGCMRMRY-SQFXPLBJSA-N	0	0	318.782	2.135	10	5		DEBERN
O=[N+]([O-])c1cc(Cl)c(F)cc1NC[C@@H]1CCCS1(=O)=O	ZINC000134170282	196367600	/nfs/dbraw/zinc/36/76/00/196367600.db2.gz	OAXGTLWDQAMWEE-ZETCQYMHSA-N	0	0	322.745	2.376	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(F)c(C)c2)n1	ZINC000191487896	225111012	/nfs/dbraw/zinc/11/10/12/225111012.db2.gz	YXGACCMQSQMDHP-UHFFFAOYSA-N	0	0	306.297	2.189	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)Cc2cccs2)n1	ZINC000191526850	225112081	/nfs/dbraw/zinc/11/20/81/225112081.db2.gz	NLHMHHWOHDIESA-VIFPVBQESA-N	0	0	308.363	2.234	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(F)c(F)c(F)c2)n1	ZINC000191632078	225114587	/nfs/dbraw/zinc/11/45/87/225114587.db2.gz	QTKBHMWDGXVXCA-UHFFFAOYSA-N	0	0	314.223	2.481	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCCc2cc(F)ccc2F)n1	ZINC000191651387	225115423	/nfs/dbraw/zinc/11/54/23/225115423.db2.gz	ZBJVNTNBRXKFFI-UHFFFAOYSA-N	0	0	324.287	2.062	10	5		DEBERN
O=[N+]([O-])c1ccc(NCc2nc(CO)cs2)c([N+](=O)[O-])c1	ZINC000302320125	230215527	/nfs/dbraw/zinc/21/55/27/230215527.db2.gz	RFPBPMCQQCRVNX-UHFFFAOYSA-N	0	0	310.291	2.064	10	5		DEBERN
C[C@@]12CCN(c3ccc4ncc([N+](=O)[O-])n4n3)C[C@@H]1C2(F)F	ZINC000518870289	269405123	/nfs/dbraw/zinc/40/51/23/269405123.db2.gz	FYVIEJZGNSEUQZ-QPUJVOFHSA-N	0	0	309.276	2.119	10	5		DEBERN
C/C=C(\C)c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1	ZINC000583122998	337244259	/nfs/dbraw/zinc/24/42/59/337244259.db2.gz	PUBVQBZLNYXRPB-XCVCLJGOSA-N	0	0	316.317	2.260	10	5		DEBERN
CC(C)n1c2ccc([N+](=O)[O-])cc2c(=O)n(CC2CC2)c1=O	ZINC000584623306	337375165	/nfs/dbraw/zinc/37/51/65/337375165.db2.gz	PMTFTRHEQOMADO-UHFFFAOYSA-N	0	0	303.318	2.062	10	5		DEBERN
CC(C)(C(=O)NC[C@@H](CO)C1CC1)c1ccc([N+](=O)[O-])cc1F	ZINC000358304633	534342467	/nfs/dbraw/zinc/34/24/67/534342467.db2.gz	LKZFWAGVWLHQAW-NSHDSACASA-N	0	0	324.352	2.146	10	5		DEBERN
Cc1cc(NC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)ccc1[N+](=O)[O-]	ZINC000153738087	525197571	/nfs/dbraw/zinc/19/75/71/525197571.db2.gz	YUNNCYAZBPFFNP-WDEREUQCSA-N	0	0	320.349	2.069	10	5		DEBERN
O=[N+]([O-])c1ccc(CO)cc1N1CCO[C@H](c2ccco2)C1	ZINC000302031953	534881901	/nfs/dbraw/zinc/88/19/01/534881901.db2.gz	KKQTVZNZMBDEBE-HNNXBMFYSA-N	0	0	304.302	2.258	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC2(C1)CCOC2	ZINC000294504710	527527329	/nfs/dbraw/zinc/52/73/29/527527329.db2.gz	RJVOJGMZRVUAOU-XYOKQWHBSA-N	0	0	302.330	2.247	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1CN(C(C)C)C1	ZINC000296948588	527527349	/nfs/dbraw/zinc/52/73/49/527527349.db2.gz	CCQLNZKHNOBTOU-XYOKQWHBSA-N	0	0	303.362	2.207	10	5		DEBERN
CC(C)(NC(=O)NCCc1cn[nH]c1)c1ccc([N+](=O)[O-])cc1	ZINC000360296162	535225378	/nfs/dbraw/zinc/22/53/78/535225378.db2.gz	MMBAUTMOPNHIIJ-UHFFFAOYSA-N	0	0	317.349	2.095	10	5		DEBERN
CO[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[C@@H]1C	ZINC000276089189	538555497	/nfs/dbraw/zinc/55/54/97/538555497.db2.gz	VFVDUZMTHWIYNR-ZUZCIYMTSA-N	0	0	319.361	2.341	10	5		DEBERN
COC(=O)c1ccc([N+](=O)[O-])c(Oc2ccc([N+](=O)[O-])nc2)c1	ZINC000735486859	633512194	/nfs/dbraw/zinc/51/21/94/633512194.db2.gz	JZXGBNOLGLLGHR-UHFFFAOYSA-N	0	0	319.229	2.477	10	5		DEBERN
C/C(=C\C(=O)OC[C@@H]1COC(=O)O1)c1ccc([N+](=O)[O-])cc1	ZINC000752346424	639174150	/nfs/dbraw/zinc/17/41/50/639174150.db2.gz	HBHAOWJMZQTWAQ-UVMWJGKXSA-N	0	0	307.258	2.077	10	5		DEBERN
CCOC(=O)[C@H](CC1CC1)NC(=O)c1cccc(C)c1[N+](=O)[O-]	ZINC000752387417	639179809	/nfs/dbraw/zinc/17/98/09/639179809.db2.gz	YOFALNMMGBHDEZ-ZDUSSCGKSA-N	0	0	320.345	2.365	10	5		DEBERN
CC(=CC(=O)NCc1ccc(=O)[nH]c1)c1ccc([N+](=O)[O-])cc1	ZINC000752410890	639181717	/nfs/dbraw/zinc/18/17/17/639181717.db2.gz	HMJAMYIHENHNRO-DHZHZOJOSA-N	0	0	313.313	2.415	10	5		DEBERN
O=C(Cn1cnc([N+](=O)[O-])n1)O[C@@H]1CC[C@H]2CCCC[C@H]2C1	ZINC000729080152	640032448	/nfs/dbraw/zinc/03/24/48/640032448.db2.gz	XVEDDMLVSMXETP-GRYCIOLGSA-N	0	0	308.338	2.088	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](CO)C(C)C	ZINC000805311546	640813859	/nfs/dbraw/zinc/81/38/59/640813859.db2.gz	XGYIKWKYQCRNKQ-ICDLMJIXSA-N	0	0	306.362	2.379	10	5		DEBERN
CCOc1cc(CN2CCO[C@H](C(F)F)C2)ccc1[N+](=O)[O-]	ZINC000801565943	645417239	/nfs/dbraw/zinc/41/72/39/645417239.db2.gz	IDQYAXYUSBGISR-ZDUSSCGKSA-N	0	0	316.304	2.459	10	5		DEBERN
C[C@@H](OC(=O)c1ccc(=O)n(C)c1)c1ccc([N+](=O)[O-])cc1	ZINC000103804200	647338946	/nfs/dbraw/zinc/33/89/46/647338946.db2.gz	XRQRWAUKUMFBCV-SNVBAGLBSA-N	0	0	302.286	2.212	10	5		DEBERN
CN(CCOC(=O)[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1	ZINC000122156499	684112838	/nfs/dbraw/zinc/11/28/38/684112838.db2.gz	MFKQABQHXIYOSH-CQSZACIVSA-N	0	0	308.334	2.143	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(CCc2ccc([N+](=O)[O-])cc2)c1=O	ZINC000127247041	684161678	/nfs/dbraw/zinc/16/16/78/684161678.db2.gz	AJXUYNBSCSZSTG-UHFFFAOYSA-N	0	0	303.274	2.216	10	5		DEBERN
CC(=O)CCN(C)C(=O)c1ccc([N+](=O)[O-])c2cccnc12	ZINC000135181549	684233348	/nfs/dbraw/zinc/23/33/48/684233348.db2.gz	DQENZIJWDWVYRQ-UHFFFAOYSA-N	0	0	301.302	2.194	10	5		DEBERN
COC[C@H](C)CNc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-]	ZINC000140432027	684253254	/nfs/dbraw/zinc/25/32/54/684253254.db2.gz	OVFZZDRPBFJUGT-OKPNEXGHSA-N	0	0	308.334	2.475	10	5		DEBERN
CC(C)(C)SCCCC(=O)OCCn1cnc([N+](=O)[O-])n1	ZINC000155630967	684277568	/nfs/dbraw/zinc/27/75/68/684277568.db2.gz	MDJQUSLGHXMWPV-UHFFFAOYSA-N	0	0	316.383	2.041	10	5		DEBERN
CCCOc1ccc(COC(=O)Cn2cc([N+](=O)[O-])cn2)cc1	ZINC000193667781	685045901	/nfs/dbraw/zinc/04/59/01/685045901.db2.gz	VUYPKKUFELPUMZ-UHFFFAOYSA-N	0	0	319.317	2.324	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccnn1C	ZINC000588444060	777199195	/nfs/dbraw/zinc/19/91/95/777199195.db2.gz	KNDJCODSTFDMIO-LUAWRHEFSA-N	0	0	300.318	2.048	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1cnccn1	ZINC000588446000	777202479	/nfs/dbraw/zinc/20/24/79/777202479.db2.gz	IWSWFLOXJYURFF-XFXZXTDPSA-N	0	0	312.329	2.447	10	5		DEBERN
O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](C(F)F)C1	ZINC000588620200	777634453	/nfs/dbraw/zinc/63/44/53/777634453.db2.gz	XQGBFNXOCSQQKL-GCLPIYDQSA-N	0	0	312.272	2.101	10	5		DEBERN
Cc1cc(N[C@H]2C[C@H](S(C)(=O)=O)C2)c(F)cc1[N+](=O)[O-]	ZINC000714249111	792305598	/nfs/dbraw/zinc/30/55/98/792305598.db2.gz	CCOBOVGBZKQLQL-KYZUINATSA-N	0	0	302.327	2.030	10	5		DEBERN
CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1	ZINC000227500748	796585468	/nfs/dbraw/zinc/58/54/68/796585468.db2.gz	TVSCIXAPXLHIIE-BZUAXINKSA-N	0	0	302.374	2.448	10	5		DEBERN
CC[C@H](C[C@H](C)O)Nc1c(Br)cncc1[N+](=O)[O-]	ZINC000716940546	797644977	/nfs/dbraw/zinc/64/49/77/797644977.db2.gz	QYFMHOIGJBZMJN-JGVFFNPUSA-N	0	0	318.171	2.136	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2Cc3ccccc3[C@H]2O)c1	ZINC000178720627	801692758	/nfs/dbraw/zinc/69/27/58/801692758.db2.gz	JSWRRGAPWRNHSM-GDBMZVCRSA-N	0	0	312.325	2.291	10	5		DEBERN
CN1CCO[C@@H](CSCc2ccc([N+](=O)[O-])c(F)c2)C1	ZINC000400811362	801803590	/nfs/dbraw/zinc/80/35/90/801803590.db2.gz	XOGPGBOHZFOTHY-LLVKDONJSA-N	0	0	300.355	2.298	10	5		DEBERN
Cc1c([N+](=O)[O-])ccc(=O)n1CC(=O)Nc1ccccc1Cl	ZINC000071526385	1082193136	/nfs/dbraw/zinc/19/31/36/1082193136.db2.gz	DGRYRJUZPROJAX-UHFFFAOYSA-N	0	0	321.720	2.357	10	5		DEBERN
Cn1cc(CNc2ncc([N+](=O)[O-])s2)c(Br)n1	ZINC000720680672	1085924621	/nfs/dbraw/zinc/92/46/21/1085924621.db2.gz	OJCAVLIDRMPAME-UHFFFAOYSA-N	0	0	318.156	2.159	10	5		DEBERN
CC(=O)c1cc(CCNC(=O)OC(C)(C)C)nc([N+](=O)[O-])c1	ZINC000095767677	185384015	/nfs/dbraw/zinc/38/40/15/185384015.db2.gz	IJEBBHDADHKVRG-UHFFFAOYSA-N	0	0	309.322	2.260	10	5		DEBERN
C[C@H](Nc1cc(Br)ccc1[N+](=O)[O-])C(=O)N(C)C	ZINC000087834300	185232788	/nfs/dbraw/zinc/23/27/88/185232788.db2.gz	SWJPEYGYCBGKKQ-ZETCQYMHSA-N	0	0	316.155	2.246	10	5		DEBERN
CCC[C@@H](N[C@H]1C=CS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1	ZINC000088854533	185267182	/nfs/dbraw/zinc/26/71/82/185267182.db2.gz	IWCWTBDZKYJQMG-GXTWGEPZSA-N	0	0	310.375	2.336	10	5		DEBERN
COCc1cncc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1	ZINC000613172589	362026776	/nfs/dbraw/zinc/02/67/76/362026776.db2.gz	HPPMXWYKJWWFOK-UHFFFAOYSA-N	0	0	317.301	2.397	10	5		DEBERN
COC(COc1c(Br)cc(F)cc1[N+](=O)[O-])OC	ZINC000090358746	185292297	/nfs/dbraw/zinc/29/22/97/185292297.db2.gz	RGCISLKKKQKAKG-UHFFFAOYSA-N	0	0	324.102	2.494	10	5		DEBERN
CCc1nc(C(C)(C)NCCOc2ccccc2[N+](=O)[O-])no1	ZINC000441235665	529714272	/nfs/dbraw/zinc/71/42/72/529714272.db2.gz	SOLYJOBRRCJOQL-UHFFFAOYSA-N	0	0	320.349	2.444	10	5		DEBERN
CCc1nc([C@H](C)NC(=O)c2nn(CC)cc2[N+](=O)[O-])cs1	ZINC000191612059	529746862	/nfs/dbraw/zinc/74/68/62/529746862.db2.gz	NOPPQRGMBFOXKK-QMMMGPOBSA-N	0	0	323.378	2.321	10	5		DEBERN
COC(=O)CCCCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000187668156	282288135	/nfs/dbraw/zinc/28/81/35/282288135.db2.gz	APLTYEYMIHXJOS-UHFFFAOYSA-N	0	0	320.305	2.143	10	5		DEBERN
CSC[C@@H](C)CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000083409144	192370156	/nfs/dbraw/zinc/37/01/56/192370156.db2.gz	HYHWCQHMVNNOAL-VIFPVBQESA-N	0	0	318.420	2.409	10	5		DEBERN
CCc1nc2n(n1)C[C@H](Nc1c(C)cccc1[N+](=O)[O-])CC2	ZINC000108948571	185542653	/nfs/dbraw/zinc/54/26/53/185542653.db2.gz	NPCIUAXLIJCVQF-LLVKDONJSA-N	0	0	301.350	2.484	10	5		DEBERN
CCN(C1CCCC1)S(=O)(=O)c1cccc(N)c1[N+](=O)[O-]	ZINC000126921041	185904426	/nfs/dbraw/zinc/90/44/26/185904426.db2.gz	HDCSXWOCVNMWCA-UHFFFAOYSA-N	0	0	313.379	2.130	10	5		DEBERN
CCNc1cccc(S(=O)(=O)N2CC[C@@H](C)C2)c1[N+](=O)[O-]	ZINC000126941636	185906140	/nfs/dbraw/zinc/90/61/40/185906140.db2.gz	UQOSBAAKFMPEFT-SNVBAGLBSA-N	0	0	313.379	2.057	10	5		DEBERN
CC(=O)[C@@H](C)N1c2ccc([N+](=O)[O-])cc2O[C@H](C(C)C)C1=O	ZINC000071503774	190986454	/nfs/dbraw/zinc/98/64/54/190986454.db2.gz	POUCWELMJSLKRK-YMTOWFKASA-N	0	0	306.318	2.322	10	5		DEBERN
CC(C)(C)[C@H](O)CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1	ZINC000139533718	186023298	/nfs/dbraw/zinc/02/32/98/186023298.db2.gz	WAULVKFYBGNFDM-LLVKDONJSA-N	0	0	300.742	2.385	10	5		DEBERN
C[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCCO1	ZINC000171010041	197864909	/nfs/dbraw/zinc/86/49/09/197864909.db2.gz	KNJHHCCEVVCIBR-SNVBAGLBSA-N	0	0	303.318	2.327	10	5		DEBERN
Cc1cc(C)n(CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)n1	ZINC000171446694	186161277	/nfs/dbraw/zinc/16/12/77/186161277.db2.gz	MXKWUVUWBNNIDE-LBPRGKRZSA-N	0	0	314.345	2.386	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)C3(CCC3)C2)n1	ZINC000617409665	363124657	/nfs/dbraw/zinc/12/46/57/363124657.db2.gz	HRVHWHALDMJRPK-NSHDSACASA-N	0	0	306.366	2.464	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCC[C@H]1CO	ZINC000176455989	198588253	/nfs/dbraw/zinc/58/82/53/198588253.db2.gz	GIXCKFFZYJBZGW-CMPLNLGQSA-N	0	0	323.349	2.276	10	5		DEBERN
O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC3(C2)CCCC3)c1	ZINC000363770820	283100977	/nfs/dbraw/zinc/10/09/77/283100977.db2.gz	UVVVBZJOGQUXAY-UHFFFAOYSA-N	0	0	310.375	2.301	10	5		DEBERN
Cc1ccc(NC(=O)N2CCN(C3CC3)CC2)cc1[N+](=O)[O-]	ZINC000076329545	191622699	/nfs/dbraw/zinc/62/26/99/191622699.db2.gz	QTKYDLKZURQHFQ-UHFFFAOYSA-N	0	0	304.350	2.215	10	5		DEBERN
COC(=O)[C@@]1(C)CCN(c2cc(OC)cc(F)c2[N+](=O)[O-])C1	ZINC000092684038	355646741	/nfs/dbraw/zinc/64/67/41/355646741.db2.gz	LHFVMLGAHPLLFL-AWEZNQCLSA-N	0	0	312.297	2.132	10	5		DEBERN
CC(C)NC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCC[C@@H]12	ZINC000169678948	355979511	/nfs/dbraw/zinc/97/95/11/355979511.db2.gz	MUNZHHTXINBJSZ-HIFRSBDPSA-N	0	0	303.362	2.261	10	5		DEBERN
Cn1nnc2ccc(C(=O)N3CCc4cc([N+](=O)[O-])ccc43)cc21	ZINC000182394443	356124822	/nfs/dbraw/zinc/12/48/22/356124822.db2.gz	XXOGMFKXFLHKLR-UHFFFAOYSA-N	0	0	323.312	2.079	10	5		DEBERN
CC[C@H](CSC)NS(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000181616071	356088577	/nfs/dbraw/zinc/08/85/77/356088577.db2.gz	QHNSWEKSINGQBA-SSDOTTSWSA-N	0	0	310.422	2.076	10	5		DEBERN
C[C@@H](Oc1cccc(CO)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000183391881	356170169	/nfs/dbraw/zinc/17/01/69/356170169.db2.gz	AEHYSKRMRYPBCH-LLVKDONJSA-N	0	0	316.313	2.493	10	5		DEBERN
C[C@@H](NC(=O)Nc1ccc(=O)n(C)c1)c1cccc([N+](=O)[O-])c1	ZINC000194819475	356245185	/nfs/dbraw/zinc/24/51/85/356245185.db2.gz	VBNBGGGYGLIHEP-SNVBAGLBSA-N	0	0	316.317	2.176	10	5		DEBERN
C[C@@H]1CC[C@@H](O)CN1c1ncc([N+](=O)[O-])cc1Br	ZINC000399329626	283151229	/nfs/dbraw/zinc/15/12/29/283151229.db2.gz	NUMBUCDOQAGMLZ-VXNVDRBHSA-N	0	0	316.155	2.102	10	5		DEBERN
CC[C@@H](NC(=O)CCCCNC(N)=O)c1cccc([N+](=O)[O-])c1	ZINC000177786263	198776289	/nfs/dbraw/zinc/77/62/89/198776289.db2.gz	SXFGATONDPRUKS-CYBMUJFWSA-N	0	0	322.365	2.001	10	5		DEBERN
CCOC(=O)NCCC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1	ZINC000177795270	198778546	/nfs/dbraw/zinc/77/85/46/198778546.db2.gz	GSORWNZCEAMCEY-ZDUSSCGKSA-N	0	0	323.349	2.298	10	5		DEBERN
CC(=O)c1ccc(N[C@@H]2CCc3cncn3C2)c([N+](=O)[O-])c1	ZINC000588067697	357392405	/nfs/dbraw/zinc/39/24/05/357392405.db2.gz	JWTBWXRYXVSFDI-GFCCVEGCSA-N	0	0	300.318	2.421	10	5		DEBERN
C[C@H](NC(=O)CCc1ccnn1C)c1cccc([N+](=O)[O-])c1	ZINC000185057828	199803755	/nfs/dbraw/zinc/80/37/55/199803755.db2.gz	QRAVRZFRODVULD-NSHDSACASA-N	0	0	302.334	2.138	10	5		DEBERN
CO[C@H]1C[C@H](c2nc(C)no2)N(c2ccc([N+](=O)[O-])cc2)C1	ZINC000189141130	200354639	/nfs/dbraw/zinc/35/46/39/200354639.db2.gz	PQXUGJLOQZCTCH-QWHCGFSZSA-N	0	0	304.306	2.253	10	5		DEBERN
O=C1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CCN1C1CC1	ZINC000610504624	361411956	/nfs/dbraw/zinc/41/19/56/361411956.db2.gz	AOSFPUKBWUNLGA-UHFFFAOYSA-N	0	0	309.753	2.055	10	5		DEBERN
COc1ccc([N+](=O)[O-])c(N2CCC[C@@H](NC(=O)C(C)C)C2)c1	ZINC000610575681	361425208	/nfs/dbraw/zinc/42/52/08/361425208.db2.gz	VQEKUKFWBSMLPQ-GFCCVEGCSA-N	0	0	321.377	2.344	10	5		DEBERN
CCOc1ccc(C(=O)NCc2cc(C)ncn2)cc1[N+](=O)[O-]	ZINC000611138720	361533192	/nfs/dbraw/zinc/53/31/92/361533192.db2.gz	NLSIKJLSCMGMKF-UHFFFAOYSA-N	0	0	316.317	2.022	10	5		DEBERN
CC1(C)CCN(Cc2csc([N+](=O)[O-])c2)CCS1(=O)=O	ZINC000194982596	201321506	/nfs/dbraw/zinc/32/15/06/201321506.db2.gz	SNDYFCVVRSJYMG-UHFFFAOYSA-N	0	0	318.420	2.055	10	5		DEBERN
CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCCn2ccnc21	ZINC000619486013	363809513	/nfs/dbraw/zinc/80/95/13/363809513.db2.gz	DTXQGKYJNQPEEX-NSHDSACASA-N	0	0	304.354	2.306	10	5		DEBERN
CCCc1nn(-c2ncnc3[nH]cnc32)c(Cl)c1[N+](=O)[O-]	ZINC000091585824	193075393	/nfs/dbraw/zinc/07/53/93/193075393.db2.gz	DHJZYYOEAFNELM-UHFFFAOYSA-N	0	0	307.701	2.053	10	5		DEBERN
CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])C1	ZINC000271795724	209222982	/nfs/dbraw/zinc/22/29/82/209222982.db2.gz	LEWPXBKTVAGLRO-WCQYABFASA-N	0	0	319.361	2.031	10	5		DEBERN
CCN(CC(C)(C)O)C(=O)c1cc([N+](=O)[O-])c(F)cc1F	ZINC000092966836	193189643	/nfs/dbraw/zinc/18/96/43/193189643.db2.gz	WJZSZYOUEHZEQR-UHFFFAOYSA-N	0	0	302.277	2.106	10	5		DEBERN
CSCCN(C)S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1	ZINC000093019013	193194285	/nfs/dbraw/zinc/19/42/85/193194285.db2.gz	CKMOSJNMHHRICR-UHFFFAOYSA-N	0	0	322.383	2.026	10	5		DEBERN
CCc1c(N)nnn1-c1ccc(Br)cc1[N+](=O)[O-]	ZINC000093327638	193233628	/nfs/dbraw/zinc/23/36/28/193233628.db2.gz	IIVFRCWZFFOHDS-UHFFFAOYSA-N	0	0	312.127	2.083	10	5		DEBERN
C[NH2+][C@]1(C(=O)[O-])CC[C@H](Oc2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000093847161	193318086	/nfs/dbraw/zinc/31/80/86/193318086.db2.gz	TWAJMSMENIINJV-TVQRCGJNSA-N	0	0	314.725	2.222	10	5		DEBERN
CC1(C)CCC[C@@H](S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1[NH3+]	ZINC000094281650	193356332	/nfs/dbraw/zinc/35/63/32/193356332.db2.gz	AZVABGDSQUAPFE-CHWSQXEVSA-N	0	0	312.391	2.275	10	5		DEBERN
Cc1nc(CN(C)Cc2ccc([N+](=O)[O-])c(NN)c2)cs1	ZINC000094778437	193396417	/nfs/dbraw/zinc/39/64/17/193396417.db2.gz	IOYQQBHFOZPJNO-UHFFFAOYSA-N	0	0	307.379	2.277	10	5		DEBERN
CCNc1cc(C)c(S(=O)(=O)N(C)C(C)C)cc1[N+](=O)[O-]	ZINC000094780465	193397781	/nfs/dbraw/zinc/39/77/81/193397781.db2.gz	LWDSRWCJNHOILY-UHFFFAOYSA-N	0	0	315.395	2.364	10	5		DEBERN
COC(=O)c1cc(N[C@H]2C[C@@H](O)C2(C)C)cc(C)c1[N+](=O)[O-]	ZINC000274981356	212056618	/nfs/dbraw/zinc/05/66/18/212056618.db2.gz	BTYQKFGHNWXKSI-NWDGAFQWSA-N	0	0	308.334	2.261	10	5		DEBERN
COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])s1	ZINC000248893095	284209403	/nfs/dbraw/zinc/20/94/03/284209403.db2.gz	ZHBTXVKPQOTMSA-SBMIAAHKSA-N	0	0	324.358	2.070	10	5		DEBERN
COc1ccc(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1	ZINC000019815110	182153169	/nfs/dbraw/zinc/15/31/69/182153169.db2.gz	GYEAQZHGHYVSGK-UHFFFAOYSA-N	0	0	312.281	2.400	10	5		DEBERN
C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)s1	ZINC000033193519	182695936	/nfs/dbraw/zinc/69/59/36/182695936.db2.gz	TUQNEYBCKSTYNC-ZETCQYMHSA-N	0	0	314.754	2.384	10	5		DEBERN
O=C(c1cc(Cl)c(Cl)c([N+](=O)[O-])c1)N1CCC(O)CC1	ZINC000037247721	182875653	/nfs/dbraw/zinc/87/56/53/182875653.db2.gz	IGARFRIJIYBTRU-UHFFFAOYSA-N	0	0	319.144	2.499	10	5		DEBERN
CCCCNC(=O)[C@H](C)n1cc(Br)c([N+](=O)[O-])n1	ZINC000040517353	183089409	/nfs/dbraw/zinc/08/94/09/183089409.db2.gz	BXIBRQWRPHUBML-ZETCQYMHSA-N	0	0	319.159	2.031	10	5		DEBERN
CCN(CCO)c1ncnc(Oc2ccc(C)cc2)c1[N+](=O)[O-]	ZINC000040617825	183109509	/nfs/dbraw/zinc/10/95/09/183109509.db2.gz	BIIFEIYHSLXARY-UHFFFAOYSA-N	0	0	318.333	2.304	10	5		DEBERN
O=C(NCc1ccccn1)c1cc([N+](=O)[O-])c(F)c(F)c1F	ZINC000041132111	183170702	/nfs/dbraw/zinc/17/07/02/183170702.db2.gz	FQLHZZXPZXINAL-UHFFFAOYSA-N	0	0	311.219	2.337	10	5		DEBERN
CCN[C@H](COc1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC	ZINC000045462635	183510282	/nfs/dbraw/zinc/51/02/82/183510282.db2.gz	XNTUQDVYAGZKMO-LLVKDONJSA-N	0	0	316.741	2.168	10	5		DEBERN
C[C@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@H]1CCCO1	ZINC000046973382	183576742	/nfs/dbraw/zinc/57/67/42/183576742.db2.gz	GKSPAVMMBZOHSP-SMDDNHRTSA-N	0	0	307.350	2.304	10	5		DEBERN
Cc1nnc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)n1C1CC1	ZINC000285049369	218270584	/nfs/dbraw/zinc/27/05/84/218270584.db2.gz	CBTABRVGAMZCBM-UHFFFAOYSA-N	0	0	307.335	2.452	10	5		DEBERN
CCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC	ZINC000050633452	183791613	/nfs/dbraw/zinc/79/16/13/183791613.db2.gz	XDSMLPKWRRBJQX-UHFFFAOYSA-N	0	0	301.368	2.105	10	5		DEBERN
Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1F	ZINC000050640943	183793447	/nfs/dbraw/zinc/79/34/47/183793447.db2.gz	MDNHVPVAWUKIND-UHFFFAOYSA-N	0	0	311.294	2.117	10	5		DEBERN
CCNc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CC)C(C)C	ZINC000050651980	183794809	/nfs/dbraw/zinc/79/48/09/183794809.db2.gz	INGUGHVRWUKSLY-UHFFFAOYSA-N	0	0	315.395	2.446	10	5		DEBERN
Cc1cnc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cn1	ZINC000061322098	184168537	/nfs/dbraw/zinc/16/85/37/184168537.db2.gz	YXKIGYQMDIEYKI-UHFFFAOYSA-N	0	0	306.709	2.277	10	5		DEBERN
C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(NN)c1)c1ccsc1	ZINC000061374415	184169416	/nfs/dbraw/zinc/16/94/16/184169416.db2.gz	YPOWDRBDGAZPMT-QMMMGPOBSA-N	0	0	306.347	2.433	10	5		DEBERN
C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1NN)c1ccsc1	ZINC000061374308	184169798	/nfs/dbraw/zinc/16/97/98/184169798.db2.gz	UYVVUPPMCGIXHN-MRVPVSSYSA-N	0	0	306.347	2.433	10	5		DEBERN
O=C([O-])[C@@H](CCOc1cc(Cl)ccc1[N+](=O)[O-])[NH2+]C1CC1	ZINC000062595814	184244142	/nfs/dbraw/zinc/24/41/42/184244142.db2.gz	VZBPNCRVCRNFNF-SNVBAGLBSA-N	0	0	314.725	2.222	10	5		DEBERN
Nc1ccccc1S(=O)(=O)CCc1ccccc1[N+](=O)[O-]	ZINC000062727153	184250617	/nfs/dbraw/zinc/25/06/17/184250617.db2.gz	RUGFYAABOXOUGZ-UHFFFAOYSA-N	0	0	306.343	2.193	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3ccccc32)s1	ZINC000064240759	184293248	/nfs/dbraw/zinc/29/32/48/184293248.db2.gz	XLXYQRSAJDHTNZ-UHFFFAOYSA-N	0	0	310.356	2.408	10	5		DEBERN
CSCCCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N	ZINC000119061262	194965035	/nfs/dbraw/zinc/96/50/35/194965035.db2.gz	SURCKMNGODVNQR-UHFFFAOYSA-N	0	0	301.343	2.189	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CO)Cc1ccccc1	ZINC000120257802	195128949	/nfs/dbraw/zinc/12/89/49/195128949.db2.gz	QAWURRKYMCZBLW-AWEZNQCLSA-N	0	0	314.341	2.237	10	5		DEBERN
CC(C)(Nc1cc(Br)c(F)cc1[N+](=O)[O-])C(N)=O	ZINC000158111931	197244346	/nfs/dbraw/zinc/24/43/46/197244346.db2.gz	LYEGJQLZDGPGCB-UHFFFAOYSA-N	0	0	320.118	2.172	10	5		DEBERN
COC(=O)/C=C/c1ccc(Oc2cnn(C)c2)c([N+](=O)[O-])c1	ZINC000302331113	533124871	/nfs/dbraw/zinc/12/48/71/533124871.db2.gz	UGLCZJBZGULPNP-GQCTYLIASA-N	0	0	303.274	2.307	10	5		DEBERN
Cc1cscc1CNC(=O)c1cccc(NN)c1[N+](=O)[O-]	ZINC000157164406	197166983	/nfs/dbraw/zinc/16/69/83/197166983.db2.gz	KSWMUHGWCDRQFX-UHFFFAOYSA-N	0	0	306.347	2.180	10	5		DEBERN
COc1cnccc1[C@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-]	ZINC000189550077	533149267	/nfs/dbraw/zinc/14/92/67/533149267.db2.gz	IWJSIJNXVXVRMB-VIFPVBQESA-N	0	0	316.317	2.072	10	5		DEBERN
Cc1cc(C)n([C@H](C)C(=O)NCc2ccccc2[N+](=O)[O-])n1	ZINC000120421176	195163509	/nfs/dbraw/zinc/16/35/09/195163509.db2.gz	XTWWCNMIVQQZMX-GFCCVEGCSA-N	0	0	302.334	2.286	10	5		DEBERN
CC(C)(C)C(=O)CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000121892700	195370141	/nfs/dbraw/zinc/37/01/41/195370141.db2.gz	QAUNFYJIYDRIRN-UHFFFAOYSA-N	0	0	303.318	2.421	10	5		DEBERN
COC(CNCc1cc(Br)ccc1[N+](=O)[O-])OC	ZINC000122071004	195397015	/nfs/dbraw/zinc/39/70/15/195397015.db2.gz	AZFPTLWXRNUDEK-UHFFFAOYSA-N	0	0	319.155	2.066	10	5		DEBERN
O=C(NC[C@@H]1CCCS1)c1ccnc(Cl)c1[N+](=O)[O-]	ZINC000122112621	195402958	/nfs/dbraw/zinc/40/29/58/195402958.db2.gz	FONZXFIBYAYFII-ZETCQYMHSA-N	0	0	301.755	2.269	10	5		DEBERN
CCN(CC1CC1)S(=O)(=O)c1cc([N+](=O)[O-])c(NC)s1	ZINC000125601925	195767240	/nfs/dbraw/zinc/76/72/40/195767240.db2.gz	DDQPIVNOCDWQHJ-UHFFFAOYSA-N	0	0	319.408	2.119	10	5		DEBERN
CC[C@@H]1CC[C@H](C)N1S(=O)(=O)c1cccc(N)c1[N+](=O)[O-]	ZINC000127058637	195848133	/nfs/dbraw/zinc/84/81/33/195848133.db2.gz	GBWOGXOQMJXQPP-VHSXEESVSA-N	0	0	313.379	2.129	10	5		DEBERN
C/C(=C\c1nc(C[S@@](C)=O)no1)c1ccc([N+](=O)[O-])cc1	ZINC000356962221	533415241	/nfs/dbraw/zinc/41/52/41/533415241.db2.gz	LKDGDSVEUSMINP-WFNSPDMASA-N	0	0	307.331	2.417	10	5		DEBERN
CC(=O)c1cc(N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)ccc1[N+](=O)[O-]	ZINC000376453396	133294924	/nfs/dbraw/zinc/29/49/24/133294924.db2.gz	GBCCIUPPKUJYPD-UAKXVISKSA-N	0	0	317.345	2.219	10	5		DEBERN
O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](C2CC2)C1	ZINC000547950785	285658331	/nfs/dbraw/zinc/65/83/31/285658331.db2.gz	ODUMYBRHHYLHMY-CQSZACIVSA-N	0	0	322.386	2.324	10	5		DEBERN
Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000173505760	144844575	/nfs/dbraw/zinc/84/45/75/144844575.db2.gz	DFZYHVZJMNCFFW-JTQLQIEISA-N	0	0	316.361	2.306	10	5		DEBERN
CC1(C)[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H]2CCO[C@H]21	ZINC000247338489	145133869	/nfs/dbraw/zinc/13/38/69/145133869.db2.gz	YKGLXMZWMWGICK-OASPWFOLSA-N	0	0	308.309	2.277	10	5		DEBERN
O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)c1cc(F)c(F)cc1[N+](=O)[O-]	ZINC000251889430	145196783	/nfs/dbraw/zinc/19/67/83/145196783.db2.gz	QFFHWJLHPOEOKM-CQOUMUIBSA-N	0	0	312.272	2.170	10	5		DEBERN
O=[N+]([O-])c1cccnc1N1CC[C@@H](c2nc(C3CC3)no2)C1	ZINC000375259736	148348817	/nfs/dbraw/zinc/34/88/17/148348817.db2.gz	YWXWHBLZDDHZKY-SNVBAGLBSA-N	0	0	301.306	2.244	10	5		DEBERN
CCOc1ccc(C(=O)N2CCOC[C@H](C)C2)cc1[N+](=O)[O-]	ZINC000378263621	148501027	/nfs/dbraw/zinc/50/10/27/148501027.db2.gz	ZNVOYGZIIDBFPL-LLVKDONJSA-N	0	0	308.334	2.102	10	5		DEBERN
O=C1[C@@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1ccc(F)c([N+](=O)[O-])c1	ZINC000002944648	401720354	/nfs/dbraw/zinc/72/03/54/401720354.db2.gz	BRQWJRXWXQPCLC-GRUGVGOFSA-N	0	0	302.261	2.045	10	5		DEBERN
CC(C)(C)OC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CO1	ZINC000002523028	401714725	/nfs/dbraw/zinc/71/47/25/401714725.db2.gz	HTONGEVUVJEIRS-STQMWFEESA-N	0	0	308.334	2.429	10	5		DEBERN
CCN(Cc1csc([N+](=O)[O-])c1)[C@H](C)CS(=O)(=O)CC	ZINC000112998777	401764694	/nfs/dbraw/zinc/76/46/94/401764694.db2.gz	SVQODNBQGNKIEX-SNVBAGLBSA-N	0	0	320.436	2.301	10	5		DEBERN
CC(=O)NC(C)(C)c1noc(-c2ccc([N+](=O)[O-])cc2F)n1	ZINC000113761302	401785824	/nfs/dbraw/zinc/78/58/24/401785824.db2.gz	JTNHOJFAYGTGLN-UHFFFAOYSA-N	0	0	308.269	2.155	10	5		DEBERN
Cc1c(C(=O)N2CC[C@](O)(C(F)(F)F)C2)cccc1[N+](=O)[O-]	ZINC000078026093	401838198	/nfs/dbraw/zinc/83/81/98/401838198.db2.gz	ZTAXYNWWRBXIEJ-GFCCVEGCSA-N	0	0	318.251	2.043	10	5		DEBERN
CCOC(=O)CC[C@@H](C)Nc1ccc(C(=O)NC)cc1[N+](=O)[O-]	ZINC000089657039	401955863	/nfs/dbraw/zinc/95/58/63/401955863.db2.gz	PFBPQGAXOJHUSV-SNVBAGLBSA-N	0	0	323.349	2.098	10	5		DEBERN
COc1cc(NCCSCCCO)c([N+](=O)[O-])cc1F	ZINC000136448636	401968030	/nfs/dbraw/zinc/96/80/30/401968030.db2.gz	DJHIEWBPTULMIA-UHFFFAOYSA-N	0	0	304.343	2.270	10	5		DEBERN
COCCCOC1CN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1	ZINC000136695129	401972143	/nfs/dbraw/zinc/97/21/43/401972143.db2.gz	DEDRLKKCEGGSSC-UHFFFAOYSA-N	0	0	323.349	2.172	10	5		DEBERN
CSc1ccc(C(=O)NC[C@H]2CCC[C@H]2O)cc1[N+](=O)[O-]	ZINC000089162927	401937912	/nfs/dbraw/zinc/93/79/12/401937912.db2.gz	CQZCQDLTMSLNFJ-ZYHUDNBSSA-N	0	0	310.375	2.208	10	5		DEBERN
CC[C@@H](NC(=O)[C@H](C)CC(=O)OC)c1cccc([N+](=O)[O-])c1	ZINC000151430070	402036169	/nfs/dbraw/zinc/03/61/69/402036169.db2.gz	CLDNUAMTXFPKHN-ZWNOBZJWSA-N	0	0	308.334	2.361	10	5		DEBERN
COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000055458078	402082380	/nfs/dbraw/zinc/08/23/80/402082380.db2.gz	MHFUWOYXDMECDA-DCAQKATOSA-N	0	0	322.317	2.134	10	5		DEBERN
Cc1nn(C)c(C)c1CCNC(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000124508536	402183352	/nfs/dbraw/zinc/18/33/52/402183352.db2.gz	IJVHPJVDLBEGIR-UHFFFAOYSA-N	0	0	316.361	2.226	10	5		DEBERN
CSC[C@@H](C)Nc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1	ZINC000125304817	402224866	/nfs/dbraw/zinc/22/48/66/402224866.db2.gz	HKSFLXJIRJJCFB-MRVPVSSYSA-N	0	0	304.393	2.162	10	5		DEBERN
C[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)c1ccc(F)cc1F	ZINC000125335208	402226525	/nfs/dbraw/zinc/22/65/25/402226525.db2.gz	SJWDVKOJAOBICW-QMMMGPOBSA-N	0	0	324.287	2.140	10	5		DEBERN
CC[C@@H](O)CN(CCn1ccc([N+](=O)[O-])n1)c1ccccc1	ZINC000176222570	402292049	/nfs/dbraw/zinc/29/20/49/402292049.db2.gz	OXVLXYNOCSWJFA-CQSZACIVSA-N	0	0	304.350	2.069	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCC[C@@H]1CO	ZINC000176455976	402311220	/nfs/dbraw/zinc/31/12/20/402311220.db2.gz	GIXCKFFZYJBZGW-PWSUYJOCSA-N	0	0	323.349	2.276	10	5		DEBERN
C[C@@H](NC(=O)CCc1ccnn1C)c1cccc([N+](=O)[O-])c1	ZINC000185057848	402321320	/nfs/dbraw/zinc/32/13/20/402321320.db2.gz	QRAVRZFRODVULD-LLVKDONJSA-N	0	0	302.334	2.138	10	5		DEBERN
CN(CC(=O)NC(C)(C)C)Cc1nc2cc([N+](=O)[O-])ccc2o1	ZINC000176991020	402357654	/nfs/dbraw/zinc/35/76/54/402357654.db2.gz	HXAXHFHGBQHWTA-UHFFFAOYSA-N	0	0	320.349	2.083	10	5		DEBERN
CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000177991612	402450593	/nfs/dbraw/zinc/45/05/93/402450593.db2.gz	OCBUYZMNUADEBW-DOMZBBRYSA-N	0	0	308.382	2.251	10	5		DEBERN
O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1Cn1ccnc1	ZINC000177742432	402431412	/nfs/dbraw/zinc/43/14/12/402431412.db2.gz	ZZNGHHIEJCXHLR-OAHLLOKOSA-N	0	0	314.345	2.025	10	5		DEBERN
CC1(C)CC[C@@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)O1	ZINC000186468194	402433410	/nfs/dbraw/zinc/43/34/10/402433410.db2.gz	DRBSJFDTAJJVAL-ZDUSSCGKSA-N	0	0	307.350	2.352	10	5		DEBERN
Cc1c(Br)c(NCC2CC(O)C2)ncc1[N+](=O)[O-]	ZINC000165786210	402479025	/nfs/dbraw/zinc/47/90/25/402479025.db2.gz	SUSGIMQFTPTRMN-UHFFFAOYSA-N	0	0	316.155	2.244	10	5		DEBERN
C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1nnc2n1CCCC2	ZINC000178606118	402516927	/nfs/dbraw/zinc/51/69/27/402516927.db2.gz	RVRBXYIZJHYSBE-MRVPVSSYSA-N	0	0	321.362	2.075	10	5		DEBERN
O=C(N[C@@H]1Cc2ccccc2[C@@H]1O)c1ccc(F)cc1[N+](=O)[O-]	ZINC000178684837	402526501	/nfs/dbraw/zinc/52/65/01/402526501.db2.gz	WWXPFXMMCUIMCL-HIFRSBDPSA-N	0	0	316.288	2.122	10	5		DEBERN
COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H](C)[C@H](OC)C1	ZINC000190410404	402598667	/nfs/dbraw/zinc/59/86/67/402598667.db2.gz	MYQZZUNUUULLRI-IINYFYTJSA-N	0	0	323.349	2.492	10	5		DEBERN
C[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C1CCCC1	ZINC000172200345	402645229	/nfs/dbraw/zinc/64/52/29/402645229.db2.gz	NBHLNFRNNKMHKZ-LLVKDONJSA-N	0	0	319.361	2.020	10	5		DEBERN
Cc1ccccc1[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O	ZINC000181535775	402648473	/nfs/dbraw/zinc/64/84/73/402648473.db2.gz	CZUYSEOCXIYZOE-ZDUSSCGKSA-N	0	0	301.346	2.416	10	5		DEBERN
CC(C)[C@@H](C)CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	ZINC000172445969	402656488	/nfs/dbraw/zinc/65/64/88/402656488.db2.gz	JGNOBBKQOIRMFI-NSHDSACASA-N	0	0	317.349	2.197	10	5		DEBERN
CCc1cc(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)n[nH]1	ZINC000192149982	402714565	/nfs/dbraw/zinc/71/45/65/402714565.db2.gz	WYADABKAZRRFCG-UHFFFAOYSA-N	0	0	304.306	2.450	10	5		DEBERN
O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC(c2cc[nH]n2)CC1	ZINC000173853697	402716012	/nfs/dbraw/zinc/71/60/12/402716012.db2.gz	OAMUCNPLOJTVAZ-UHFFFAOYSA-N	0	0	314.345	2.267	10	5		DEBERN
O=C1[C@@H]2[C@@H]3CCC[C@@H]3CN2C(=O)N1c1cccc([N+](=O)[O-])c1	ZINC000191699138	402687312	/nfs/dbraw/zinc/68/73/12/402687312.db2.gz	IRXALNCPAJHBIU-WQAKAFBOSA-N	0	0	301.302	2.162	10	5		DEBERN
C[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCCO1	ZINC000183208730	402746687	/nfs/dbraw/zinc/74/66/87/402746687.db2.gz	DOCLPTRYRCHOCG-GWCFXTLKSA-N	0	0	318.333	2.302	10	5		DEBERN
COC(=O)c1coc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1	ZINC000183882872	402803088	/nfs/dbraw/zinc/80/30/88/402803088.db2.gz	ZNUPZBPESGSUFD-UHFFFAOYSA-N	0	0	316.269	2.177	10	5		DEBERN
Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@@H]1c1ccccc1	ZINC000184460019	402845182	/nfs/dbraw/zinc/84/51/82/402845182.db2.gz	MGUPRGJIALAELM-DGCLKSJQSA-N	0	0	312.329	2.106	10	5		DEBERN
CCOC(=O)c1ccnc(N2CC[C@H](C)[C@@H](OC)C2)c1[N+](=O)[O-]	ZINC000275976623	403136728	/nfs/dbraw/zinc/13/67/28/403136728.db2.gz	ICTIWPXTYQTYMJ-JQWIXIFHSA-N	0	0	323.349	2.028	10	5		DEBERN
Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCN2CCOC[C@@H]2C1	ZINC000373095196	404527685	/nfs/dbraw/zinc/52/76/85/404527685.db2.gz	OQJXKCGTANFMIE-LBPRGKRZSA-N	0	0	311.769	2.077	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2Cc3ccc(C)cc3C2)n1	ZINC000361331008	405026401	/nfs/dbraw/zinc/02/64/01/405026401.db2.gz	LHXIQXBMOLGQBC-UHFFFAOYSA-N	0	0	300.318	2.276	10	5		DEBERN
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCCCO1	ZINC000408288103	405163044	/nfs/dbraw/zinc/16/30/44/405163044.db2.gz	VKIUPXJRHGUJKS-UHFFFAOYSA-N	0	0	300.336	2.009	10	5		DEBERN
CCOc1ccc(C(=O)N(C)[C@@H](C)C(C)(C)O)cc1[N+](=O)[O-]	ZINC000456091518	405496837	/nfs/dbraw/zinc/49/68/37/405496837.db2.gz	HYIBXJFINQSQMY-JTQLQIEISA-N	0	0	310.350	2.225	10	5		DEBERN
CC(C)OC1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1	ZINC000534310396	406179635	/nfs/dbraw/zinc/17/96/35/406179635.db2.gz	PHRLIDADFHVREH-UHFFFAOYSA-N	0	0	305.338	2.031	10	5		DEBERN
COC(=O)Cc1cc(OC)c(Br)cc1[N+](=O)[O-]	ZINC000575713070	406822265	/nfs/dbraw/zinc/82/22/65/406822265.db2.gz	UDVFIJJQPQQYDU-UHFFFAOYSA-N	0	0	304.096	2.081	10	5		DEBERN
CC[C@H]1C(=O)N(CC)CCN1c1nc(C)cc(C)c1[N+](=O)[O-]	ZINC000570622948	292494529	/nfs/dbraw/zinc/49/45/29/292494529.db2.gz	XIZMSQKXTWOETE-LBPRGKRZSA-N	0	0	306.366	2.054	10	5		DEBERN
Cn1cccc1[C@H]1CCCCN1C(=O)c1c[nH]nc1[N+](=O)[O-]	ZINC000571063470	292524680	/nfs/dbraw/zinc/52/46/80/292524680.db2.gz	GFIXKAFVQKHSAN-GFCCVEGCSA-N	0	0	303.322	2.024	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)NC2CCCCC2)cc1F	ZINC000129848963	196080330	/nfs/dbraw/zinc/08/03/30/196080330.db2.gz	ZFBKCMPJWPXNDP-UHFFFAOYSA-N	0	0	302.327	2.345	10	5		DEBERN
O=C(N[C@H]1CCCC[C@H]1O)c1ccc(NC2CC2)c([N+](=O)[O-])c1	ZINC000130523245	196087050	/nfs/dbraw/zinc/08/70/50/196087050.db2.gz	VWLLWNHXUFPAIF-DZGCQCFKSA-N	0	0	319.361	2.202	10	5		DEBERN
N[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)c1cccs1	ZINC000130556874	196090402	/nfs/dbraw/zinc/09/04/02/196090402.db2.gz	CHZNLHOOWNRYQQ-ZDUSSCGKSA-N	0	0	305.359	2.015	10	5		DEBERN
COC(=O)[C@H]1CCN1c1cc([N+](=O)[O-])ccc1Br	ZINC000130977451	196129104	/nfs/dbraw/zinc/12/91/04/196129104.db2.gz	OGLQNBQADJJKDL-SECBINFHSA-N	0	0	315.123	2.109	10	5		DEBERN
C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C	ZINC000131251642	196154026	/nfs/dbraw/zinc/15/40/26/196154026.db2.gz	ZVMMPMOPEQRAFH-RKDXNWHRSA-N	0	0	302.327	2.010	10	5		DEBERN
CCC[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(NC)c1	ZINC000131514249	196176324	/nfs/dbraw/zinc/17/63/24/196176324.db2.gz	VQJRUURMYHQLPC-VIFPVBQESA-N	0	0	301.368	2.103	10	5		DEBERN
CCCNc1cc(S(=O)(=O)N[C@H](C)CC)ccc1[N+](=O)[O-]	ZINC000131721520	196193613	/nfs/dbraw/zinc/19/36/13/196193613.db2.gz	SFCDZUJOXCMKNS-SNVBAGLBSA-N	0	0	315.395	2.494	10	5		DEBERN
CCCCC[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1	ZINC000132368073	196249956	/nfs/dbraw/zinc/24/99/56/196249956.db2.gz	OPBYEDQSGFJGSW-SNVBAGLBSA-N	0	0	315.395	2.424	10	5		DEBERN
C[C@H]([NH3+])c1nc(C(=O)[N-]c2c(F)cccc2[N+](=O)[O-])cs1	ZINC000132588571	196267904	/nfs/dbraw/zinc/26/79/04/196267904.db2.gz	JRBJNBIKWFDSFI-LURJTMIESA-N	0	0	310.310	2.462	10	5		DEBERN
CNc1cc(S(=O)(=O)NC2(C)CCCC2)ccc1[N+](=O)[O-]	ZINC000132810249	196286026	/nfs/dbraw/zinc/28/60/26/196286026.db2.gz	JGNYRGAFPRSSJL-UHFFFAOYSA-N	0	0	313.379	2.248	10	5		DEBERN
CC[C@H](C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1	ZINC000132858313	196291000	/nfs/dbraw/zinc/29/10/00/196291000.db2.gz	IVVHXFAZFSRYKE-VHSXEESVSA-N	0	0	315.395	2.280	10	5		DEBERN
CCNc1cc(N[C@@]2(C)CCS(=O)(=O)C2)cc([N+](=O)[O-])c1	ZINC000133102094	196311987	/nfs/dbraw/zinc/31/19/87/196311987.db2.gz	GEOXCWZCTIESDG-ZDUSSCGKSA-N	0	0	313.379	2.016	10	5		DEBERN
CCSC[C@@H](C)Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	ZINC000135407863	196472106	/nfs/dbraw/zinc/47/21/06/196472106.db2.gz	WEPAYIXWXKQAPZ-MRVPVSSYSA-N	0	0	311.363	2.479	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N(C)c2cc(F)ccc2F)n1	ZINC000191586430	225112665	/nfs/dbraw/zinc/11/26/65/225112665.db2.gz	WXGNBXLTTAUGOY-UHFFFAOYSA-N	0	0	310.260	2.366	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCCc2c(F)cccc2F)n1	ZINC000191548959	225113549	/nfs/dbraw/zinc/11/35/49/225113549.db2.gz	SLGZVYSDWGNIBJ-UHFFFAOYSA-N	0	0	324.287	2.062	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)c2ncc(C)s2)n1	ZINC000191708696	225116387	/nfs/dbraw/zinc/11/63/87/225116387.db2.gz	FSLRETWSEZKUOQ-QMMMGPOBSA-N	0	0	323.378	2.110	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCS[C@@H](C(C)C)C2)n1	ZINC000191830358	225117553	/nfs/dbraw/zinc/11/75/53/225117553.db2.gz	QTPXLYRTYBCKHI-LLVKDONJSA-N	0	0	312.395	2.025	10	5		DEBERN
O=[N+]([O-])c1ccc(CO)cc1N[C@H]1CCN(c2ccccn2)C1	ZINC000302038245	230053625	/nfs/dbraw/zinc/05/36/25/230053625.db2.gz	MUDSDJFUEUWUGH-ZDUSSCGKSA-N	0	0	314.345	2.173	10	5		DEBERN
CCOc1ccc(C(=O)Nc2cc(C)c(C)nn2)cc1[N+](=O)[O-]	ZINC000359490047	424829371	/nfs/dbraw/zinc/82/93/71/424829371.db2.gz	DBMNDJRRDGCMPG-UHFFFAOYSA-N	0	0	316.317	2.653	10	5		DEBERN
CCO[C@H](CCNC(=O)c1cc([N+](=O)[O-])cnc1C)C(C)C	ZINC000173571609	267478748	/nfs/dbraw/zinc/47/87/48/267478748.db2.gz	BVBYDZMSFKTZLE-CQSZACIVSA-N	0	0	309.366	2.479	10	5		DEBERN
C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)C[C@H]1CCCO1	ZINC000245382204	274203361	/nfs/dbraw/zinc/20/33/61/274203361.db2.gz	HTAHHYOSBVCMPG-SMDDNHRTSA-N	0	0	307.350	2.033	10	5		DEBERN
CC(C)(C)OC(=O)NC[C@@H]1CCCN1c1ncccc1[N+](=O)[O-]	ZINC000095087660	277199856	/nfs/dbraw/zinc/19/98/56/277199856.db2.gz	LEJHTYMPAMVBRS-NSHDSACASA-N	0	0	322.365	2.483	10	5		DEBERN
CO[C@@H]1CN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC[C@@H]1C	ZINC000302561528	277300334	/nfs/dbraw/zinc/30/03/34/277300334.db2.gz	NBATWMPUJMVDJV-LKFCYVNXSA-N	0	0	318.333	2.105	10	5		DEBERN
CS(=O)(=O)c1cc(N2C[C@H]3CCC[C@@H]3C2)ccc1[N+](=O)[O-]	ZINC000126065081	278118271	/nfs/dbraw/zinc/11/82/71/278118271.db2.gz	IFQIVJGWLRMQGY-GHMZBOCLSA-N	0	0	310.375	2.235	10	5		DEBERN
C[C@@H]1CO[C@H](c2ccccc2)CN1c1c([N+](=O)[O-])ncn1C	ZINC000267312543	297166649	/nfs/dbraw/zinc/16/66/49/297166649.db2.gz	XJKSBTGAAQFAHV-YPMHNXCESA-N	0	0	302.334	2.295	10	5		DEBERN
CO[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[C@H]1C	ZINC000187450283	332968899	/nfs/dbraw/zinc/96/88/99/332968899.db2.gz	VRDUOFRJIZDHRT-BXUZGUMPSA-N	0	0	307.350	2.161	10	5		DEBERN
O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC1(CCO)CC1	ZINC000188012941	534705241	/nfs/dbraw/zinc/70/52/41/534705241.db2.gz	YNACBZQJSYUHOU-UHFFFAOYSA-N	0	0	312.753	2.070	10	5		DEBERN
CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@](O)(C(F)F)C1	ZINC000450701809	534879970	/nfs/dbraw/zinc/87/99/70/534879970.db2.gz	HMERGYNMYMYFHG-CYBMUJFWSA-N	0	0	300.261	2.004	10	5		DEBERN
O=[N+]([O-])c1ccc(CO)cc1NC[C@H]1CSCCS1	ZINC000302067103	534881693	/nfs/dbraw/zinc/88/16/93/534881693.db2.gz	UOBZFSYGADIVRK-JTQLQIEISA-N	0	0	300.405	2.348	10	5		DEBERN
CC(C)COCCC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1	ZINC000444640886	528084295	/nfs/dbraw/zinc/08/42/95/528084295.db2.gz	FBGBXKONUNHBJU-UHFFFAOYSA-N	0	0	320.349	2.150	10	5		DEBERN
COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000248847297	536550353	/nfs/dbraw/zinc/55/03/53/536550353.db2.gz	PJXQEUSDNRXRFD-YUTCNCBUSA-N	0	0	318.329	2.009	10	5		DEBERN
COC[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F	ZINC000362205600	536805656	/nfs/dbraw/zinc/80/56/56/536805656.db2.gz	UFNCDACOWOUIDJ-LLVKDONJSA-N	0	0	306.240	2.292	10	5		DEBERN
COC(=O)/C(C)=C\COC(=O)CCNc1ccccc1[N+](=O)[O-]	ZINC000748159947	638518047	/nfs/dbraw/zinc/51/80/47/638518047.db2.gz	IOXOHOUXFWUFFS-FLIBITNWSA-N	0	0	322.317	2.059	10	5		DEBERN
COC(=O)/C(C)=C/COC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1	ZINC000748178297	638522215	/nfs/dbraw/zinc/52/22/15/638522215.db2.gz	KSACNLQHGCCUKW-RMKNXTFCSA-N	0	0	318.285	2.352	10	5		DEBERN
CC(=CC(=O)NCc1c[nH]nc1C)c1ccc([N+](=O)[O-])cc1	ZINC000751502974	639087969	/nfs/dbraw/zinc/08/79/69/639087969.db2.gz	UIHYSMHWTBORCA-JXMROGBWSA-N	0	0	300.318	2.346	10	5		DEBERN
C/C(=C/C(=O)O[C@@H](C)C(=O)NC1CC1)c1ccc([N+](=O)[O-])cc1	ZINC000752343788	639173890	/nfs/dbraw/zinc/17/38/90/639173890.db2.gz	ABPCXIVQFUKULB-JUDLJHIGSA-N	0	0	318.329	2.208	10	5		DEBERN
Cc1ccc(C(=O)O[C@H](C(=O)N(C)C)C(C)C)cc1[N+](=O)[O-]	ZINC000729696529	640827545	/nfs/dbraw/zinc/82/75/45/640827545.db2.gz	OPZHEJLNISKMSA-ZDUSSCGKSA-N	0	0	308.334	2.173	10	5		DEBERN
C[C@H]1CCO[C@@H]1COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000222037872	646420118	/nfs/dbraw/zinc/42/01/18/646420118.db2.gz	ZLZQWILFRWOBSH-QPUJVOFHSA-N	0	0	310.262	2.085	10	5		DEBERN
CCO[C@H]1C[C@H](N(C)Cn2cc([N+](=O)[O-])cn2)C12CCCC2	ZINC000156505197	646430014	/nfs/dbraw/zinc/43/00/14/646430014.db2.gz	LXEQGOQBZOPRBF-KBPBESRZSA-N	0	0	308.382	2.418	10	5		DEBERN
Cc1sc(C(=O)NC[C@H](O)c2ccccc2)cc1[N+](=O)[O-]	ZINC000045140919	646467537	/nfs/dbraw/zinc/46/75/37/646467537.db2.gz	PXSAMALWCXACEZ-LBPRGKRZSA-N	0	0	306.343	2.428	10	5		DEBERN
O=C(OCC(F)(F)F)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1	ZINC000058830357	646568413	/nfs/dbraw/zinc/56/84/13/646568413.db2.gz	GKWBYDXUSGSENS-UHFFFAOYSA-N	0	0	315.207	2.500	10	5		DEBERN
Cc1nn(C)cc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1	ZINC000172761428	646749878	/nfs/dbraw/zinc/74/98/78/646749878.db2.gz	IGIMCLDLEWUGSF-UHFFFAOYSA-N	0	0	315.333	2.463	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C1=COCCC1	ZINC000730851772	647420737	/nfs/dbraw/zinc/42/07/37/647420737.db2.gz	WWGQNRURIMANHJ-UHFFFAOYSA-N	0	0	320.301	2.079	10	5		DEBERN
CCOc1c(F)cccc1C(=O)OCCn1cc([N+](=O)[O-])cn1	ZINC000174894827	648211545	/nfs/dbraw/zinc/21/15/45/648211545.db2.gz	LGSKZBWRUSCPPY-UHFFFAOYSA-N	0	0	323.280	2.186	10	5		DEBERN
O=C(COc1ccccc1[N+](=O)[O-])OCCc1cccnc1	ZINC000113664985	651778888	/nfs/dbraw/zinc/77/88/88/651778888.db2.gz	QUNAHCXGCPDJKP-UHFFFAOYSA-N	0	0	302.286	2.155	10	5		DEBERN
CN(CC(=O)OC[C@@]1(C)CCCO1)c1ccccc1[N+](=O)[O-]	ZINC000089240827	684020530	/nfs/dbraw/zinc/02/05/30/684020530.db2.gz	JWAMBZIOOJWLAD-OAHLLOKOSA-N	0	0	308.334	2.143	10	5		DEBERN
CO[C@]1(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCSC1	ZINC000096364382	684053541	/nfs/dbraw/zinc/05/35/41/684053541.db2.gz	FWOUBDYYSURMRH-SZTZYQKNSA-N	0	0	322.386	2.246	10	5		DEBERN
CN(CCOC(=O)CC1CCOCC1)c1ccc([N+](=O)[O-])cc1	ZINC000117533345	684068947	/nfs/dbraw/zinc/06/89/47/684068947.db2.gz	YMQPVQNIURZMDE-UHFFFAOYSA-N	0	0	322.361	2.391	10	5		DEBERN
Cc1nn(CN2C[C@H](C)O[C@@H](C)C2)c2cc([N+](=O)[O-])ccc12	ZINC000121051321	684104579	/nfs/dbraw/zinc/10/45/79/684104579.db2.gz	WVIZBCBQROBRPP-QWRGUYRKSA-N	0	0	304.350	2.320	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)OCCN1CCSCC1	ZINC000127435794	684163656	/nfs/dbraw/zinc/16/36/56/684163656.db2.gz	VVXASGYCAKPJAY-UHFFFAOYSA-N	0	0	310.375	2.109	10	5		DEBERN
CC(C)n1nnnc1CN(C)Cc1cc([N+](=O)[O-])ccc1Cl	ZINC000195041561	685084717	/nfs/dbraw/zinc/08/47/17/685084717.db2.gz	XSDNCNKRQPPXDH-UHFFFAOYSA-N	0	0	324.772	2.448	10	5		DEBERN
CCN1CC[C@H]1CNc1ncc([N+](=O)[O-])cc1Br	ZINC000712535216	792200088	/nfs/dbraw/zinc/20/00/88/792200088.db2.gz	MBIROYONIWEABL-QMMMGPOBSA-N	0	0	315.171	2.258	10	5		DEBERN
O=[N+]([O-])c1cc(F)ccc1NCC[C@H]1CCCS1(=O)=O	ZINC000714331853	792308931	/nfs/dbraw/zinc/30/89/31/792308931.db2.gz	VEAJCUSJVKJXBK-SNVBAGLBSA-N	0	0	302.327	2.113	10	5		DEBERN
CCOC(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OCC	ZINC000081908173	192338281	/nfs/dbraw/zinc/33/82/81/192338281.db2.gz	OURDRCIRRCFTSA-UHFFFAOYSA-N	0	0	317.363	2.158	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nnc2n1CCCC2	ZINC000162661142	197583209	/nfs/dbraw/zinc/58/32/09/197583209.db2.gz	FXXMJENHZPYAPH-UHFFFAOYSA-N	0	0	301.306	2.083	10	5		DEBERN
CCOC(=O)c1ccc(Cn2cc([N+](=O)[O-])cc(C)c2=O)cc1	ZINC000096778357	185387067	/nfs/dbraw/zinc/38/70/67/185387067.db2.gz	DHRQNVJMINVANN-UHFFFAOYSA-N	0	0	316.313	2.290	10	5		DEBERN
Cn1cc([C@@H]2CCN(c3ncnc4cccc([N+](=O)[O-])c43)C2)cn1	ZINC000612444832	361829844	/nfs/dbraw/zinc/82/98/44/361829844.db2.gz	VJLVGLJXAGHIDI-LLVKDONJSA-N	0	0	324.344	2.265	10	5		DEBERN
C[C@@H](O)C1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1	ZINC000083171682	185215826	/nfs/dbraw/zinc/21/58/26/185215826.db2.gz	GYBBVLATESIIFN-SNVBAGLBSA-N	0	0	305.334	2.329	10	5		DEBERN
Cn1cnnc1CNc1cc(Br)ccc1[N+](=O)[O-]	ZINC000087834220	185232868	/nfs/dbraw/zinc/23/28/68/185232868.db2.gz	GGVALGLBLZAEIE-UHFFFAOYSA-N	0	0	312.127	2.098	10	5		DEBERN
CC[C@@H](C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N	ZINC000088311804	185245137	/nfs/dbraw/zinc/24/51/37/185245137.db2.gz	MFQBBOGXFMMHEW-NXEZZACHSA-N	0	0	315.395	2.280	10	5		DEBERN
Cc1ccc([C@@H](C)NC(=O)NC[C@H](O)C(C)C)cc1[N+](=O)[O-]	ZINC000176749084	282200844	/nfs/dbraw/zinc/20/08/44/282200844.db2.gz	IMPOQVGVUNQFBV-RISCZKNCSA-N	0	0	309.366	2.280	10	5		DEBERN
C/C=C/CCNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1	ZINC000092993540	185350899	/nfs/dbraw/zinc/35/08/99/185350899.db2.gz	WUTRSXPDGOPKCI-ONEGZZNKSA-N	0	0	302.327	2.287	10	5		DEBERN
CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCC[C@H](OC)C1	ZINC000301774644	529933147	/nfs/dbraw/zinc/93/31/47/529933147.db2.gz	KTMNWIFTTRXFFM-JQWIXIFHSA-N	0	0	307.350	2.324	10	5		DEBERN
CCC1(CC)CN(c2ncc([N+](=O)[O-])cc2C)CC[S@@]1=O	ZINC000302233987	282380141	/nfs/dbraw/zinc/38/01/41/282380141.db2.gz	ZMWWGBFYVFOGNN-OAQYLSRUSA-N	0	0	311.407	2.426	10	5		DEBERN
O=C1CC[C@@H]2CN(c3cccc(Cl)c3[N+](=O)[O-])CC[C@@H]2N1	ZINC000126747834	185890452	/nfs/dbraw/zinc/89/04/52/185890452.db2.gz	FDGYKXXRZUZYMZ-KOLCDFICSA-N	0	0	309.753	2.353	10	5		DEBERN
O=C(c1c(Cl)cccc1[N+](=O)[O-])N1C[C@@H]2CC[C@@H](O)[C@H]2C1	ZINC000252854257	282595602	/nfs/dbraw/zinc/59/56/02/282595602.db2.gz	GYZKDDJHSJXWJF-HOTUBEGUSA-N	0	0	310.737	2.091	10	5		DEBERN
O=C(Cn1ccc2cccc([N+](=O)[O-])c21)NCC(F)(F)F	ZINC000127122438	185918527	/nfs/dbraw/zinc/91/85/27/185918527.db2.gz	GDETUJVLTGTFAI-UHFFFAOYSA-N	0	0	301.224	2.228	10	5		DEBERN
Cc1cc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)o1	ZINC000070970545	190927359	/nfs/dbraw/zinc/92/73/59/190927359.db2.gz	WIQJCVVQFCUCMR-UHFFFAOYSA-N	0	0	310.331	2.283	10	5		DEBERN
COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC(=O)[C@H](C)C1	ZINC000287080292	219300596	/nfs/dbraw/zinc/30/05/96/219300596.db2.gz	YESOMCRALRCPII-SNVBAGLBSA-N	0	0	306.318	2.105	10	5		DEBERN
Cc1cc(C(=O)Cn2c(C)c([N+](=O)[O-])ccc2=O)ccc1F	ZINC000071526786	190987189	/nfs/dbraw/zinc/98/71/89/190987189.db2.gz	GMVDAFOGDOCKPQ-UHFFFAOYSA-N	0	0	304.277	2.395	10	5		DEBERN
O=C(NCc1ccc(CO)c(F)c1)c1ccc([N+](=O)[O-])cc1F	ZINC000170854665	197837195	/nfs/dbraw/zinc/83/71/95/197837195.db2.gz	CGQLZNAYEGQOLA-UHFFFAOYSA-N	0	0	322.267	2.295	10	5		DEBERN
COC(=O)c1cc(NC(C)(C)CCO)c([N+](=O)[O-])cc1F	ZINC000142213796	186031909	/nfs/dbraw/zinc/03/19/09/186031909.db2.gz	MMXYLMTXJUBSDY-UHFFFAOYSA-N	0	0	300.286	2.093	10	5		DEBERN
CS(=O)(=O)c1ccc(Oc2cccc(N)c2[N+](=O)[O-])cc1	ZINC000147736739	186041605	/nfs/dbraw/zinc/04/16/05/186041605.db2.gz	HLIZMMBWDKEFNY-UHFFFAOYSA-N	0	0	308.315	2.373	10	5		DEBERN
CC(C)CCCCNS(=O)(=O)c1cc(N)ccc1[N+](=O)[O-]	ZINC000147859699	186041789	/nfs/dbraw/zinc/04/17/89/186041789.db2.gz	XXPWLRGNZJXLHV-UHFFFAOYSA-N	0	0	315.395	2.282	10	5		DEBERN
Nc1ncnc(Oc2ccc([N+](=O)[O-])c(Cl)c2)c1[N+](=O)[O-]	ZINC000148339782	186044668	/nfs/dbraw/zinc/04/46/68/186044668.db2.gz	BXKXSURMYBTWMD-UHFFFAOYSA-N	0	0	311.641	2.321	10	5		DEBERN
Nc1cccc(S(=O)(=O)Cc2ccc([N+](=O)[O-])c(F)c2)c1	ZINC000150209480	186055434	/nfs/dbraw/zinc/05/54/34/186055434.db2.gz	PFJOCZOBUYPXAC-UHFFFAOYSA-N	0	0	310.306	2.290	10	5		DEBERN
CNc1ncnc(Sc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-]	ZINC000150192142	186055693	/nfs/dbraw/zinc/05/56/93/186055693.db2.gz	PFFRFZZQEPGQAW-UHFFFAOYSA-N	0	0	307.291	2.486	10	5		DEBERN
CO[C@@H](C)c1nc(Cn2cc([N+](=O)[O-])cc(C)c2=O)cs1	ZINC000155810305	186114529	/nfs/dbraw/zinc/11/45/29/186114529.db2.gz	PFCGABYQBPMDJV-VIFPVBQESA-N	0	0	309.347	2.277	10	5		DEBERN
CCn1ccnc1COc1ccc([N+](=O)[O-])c(C(=O)OC)c1	ZINC000171933222	198010719	/nfs/dbraw/zinc/01/07/19/198010719.db2.gz	FTTXJEJJWKYVAX-UHFFFAOYSA-N	0	0	305.290	2.177	10	5		DEBERN
Cc1cc(S(=O)(=O)N2CCS[C@@H](C)C2)ccc1[N+](=O)[O-]	ZINC000172020526	198028032	/nfs/dbraw/zinc/02/80/32/198028032.db2.gz	PMJWKNGOMAWNNZ-JTQLQIEISA-N	0	0	316.404	2.029	10	5		DEBERN
CCc1ccc(C(=O)N2CCN(C3CC3)CC2)cc1[N+](=O)[O-]	ZINC000174140680	198296667	/nfs/dbraw/zinc/29/66/67/198296667.db2.gz	JAZWCKRZWUVUKM-UHFFFAOYSA-N	0	0	303.362	2.077	10	5		DEBERN
Cc1nc(CN2C(=O)C(=O)c3cc([N+](=O)[O-])ccc32)cs1	ZINC000003909321	181056954	/nfs/dbraw/zinc/05/69/54/181056954.db2.gz	UOWNAPDOSLPEAS-UHFFFAOYSA-N	0	0	303.299	2.089	10	5		DEBERN
Cc1cnc(N2CC[C@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1	ZINC000176957568	198643005	/nfs/dbraw/zinc/64/30/05/198643005.db2.gz	HFIPMQADYIRQRO-NSHDSACASA-N	0	0	307.350	2.466	10	5		DEBERN
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2COc3ccccc32)c1	ZINC000074913379	191385697	/nfs/dbraw/zinc/38/56/97/191385697.db2.gz	CQVXKQDVGIAAIC-CYBMUJFWSA-N	0	0	320.326	2.007	10	5		DEBERN
O=[N+]([O-])c1ccc(CS(=O)(=O)Cc2ccc(CO)cc2)cc1	ZINC000075282149	191456795	/nfs/dbraw/zinc/45/67/95/191456795.db2.gz	NSEOMUXSUHHDHH-UHFFFAOYSA-N	0	0	321.354	2.202	10	5		DEBERN
Cc1cc(N[C@@H]2CCCN(c3cnn(C)c3)C2)ncc1[N+](=O)[O-]	ZINC000080605866	355374563	/nfs/dbraw/zinc/37/45/63/355374563.db2.gz	XUWIBJYGMCZWQQ-GFCCVEGCSA-N	0	0	316.365	2.113	10	5		DEBERN
CN(c1cccnn1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000091482058	355598992	/nfs/dbraw/zinc/59/89/92/355598992.db2.gz	SKNHOPOVSYDVIX-UHFFFAOYSA-N	0	0	313.361	2.490	10	5		DEBERN
CCOc1cc(N(C)C2CCS(=O)CC2)ccc1[N+](=O)[O-]	ZINC000092664523	355644849	/nfs/dbraw/zinc/64/48/49/355644849.db2.gz	SRYDKGQCVHESKX-UHFFFAOYSA-N	0	0	312.391	2.341	10	5		DEBERN
C[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1	ZINC000005696714	181273593	/nfs/dbraw/zinc/27/35/93/181273593.db2.gz	KPWOPWOLXCRNPP-JTQLQIEISA-N	0	0	307.306	2.304	10	5		DEBERN
CCC(CC)(CC)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N	ZINC000086647938	192587781	/nfs/dbraw/zinc/58/77/81/192587781.db2.gz	QVBNCOUIBDMHQC-UHFFFAOYSA-N	0	0	315.395	2.424	10	5		DEBERN
CO[C@@]1(CO)CCCN(c2c(Cl)cccc2[N+](=O)[O-])C1	ZINC000401905870	356728905	/nfs/dbraw/zinc/72/89/05/356728905.db2.gz	HMJYPWRUTQUTGR-ZDUSSCGKSA-N	0	0	300.742	2.226	10	5		DEBERN
COc1ccc(C(=O)NCCOCC2CCC2)cc1[N+](=O)[O-]	ZINC000579183340	356932698	/nfs/dbraw/zinc/93/26/98/356932698.db2.gz	CHKANWOFHGDGAM-UHFFFAOYSA-N	0	0	308.334	2.150	10	5		DEBERN
CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)c1ccccc1	ZINC000585810068	357361288	/nfs/dbraw/zinc/36/12/88/357361288.db2.gz	GPTLYEQGQNNKJE-UHFFFAOYSA-N	0	0	302.334	2.185	10	5		DEBERN
CCn1nc(C)c([N+](=O)[O-])c1N1CCC(n2cncc2C)CC1	ZINC000588037860	357390745	/nfs/dbraw/zinc/39/07/45/357390745.db2.gz	NLNSPXXOXSXXFP-UHFFFAOYSA-N	0	0	318.381	2.466	10	5		DEBERN
CC(=O)N1CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1	ZINC000596062619	358601583	/nfs/dbraw/zinc/60/15/83/358601583.db2.gz	KHFRYMBDOXCVGT-UHFFFAOYSA-N	0	0	314.345	2.202	10	5		DEBERN
CC(=O)N1CC[C@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1	ZINC000596233221	358647804	/nfs/dbraw/zinc/64/78/04/358647804.db2.gz	AUVDKJBXCDWWES-GFCCVEGCSA-N	0	0	318.377	2.149	10	5		DEBERN
CCS(=O)(=O)C1(CNc2ncc(Cl)cc2[N+](=O)[O-])CC1	ZINC000596521289	358705445	/nfs/dbraw/zinc/70/54/45/358705445.db2.gz	OSESOQNLYQJWSD-UHFFFAOYSA-N	0	0	319.770	2.022	10	5		DEBERN
CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(=O)[C@@H](C)C2)c1	ZINC000186595618	199979679	/nfs/dbraw/zinc/97/96/79/199979679.db2.gz	WMKMTKSIGGHXHW-VIFPVBQESA-N	0	0	308.359	2.368	10	5		DEBERN
CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CC2(CO)CC2)c1	ZINC000189094559	200347165	/nfs/dbraw/zinc/34/71/65/200347165.db2.gz	BIPHEHVFDVYCJO-UHFFFAOYSA-N	0	0	310.375	2.161	10	5		DEBERN
CO[C@H]1C[C@H](c2nc(C)no2)N(c2ccccc2[N+](=O)[O-])C1	ZINC000189141162	200354970	/nfs/dbraw/zinc/35/49/70/200354970.db2.gz	NMQAMIXRLVZXOR-GXFFZTMASA-N	0	0	304.306	2.253	10	5		DEBERN
C[C@@H]1C[C@H](O)CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1	ZINC000601720726	360125256	/nfs/dbraw/zinc/12/52/56/360125256.db2.gz	JQCQAUSVSYDMIO-ZWNOBZJWSA-N	0	0	319.361	2.155	10	5		DEBERN
COC(=O)CC1(NC(=O)c2ccc([N+](=O)[O-])s2)CCCC1	ZINC000193890080	201139970	/nfs/dbraw/zinc/13/99/70/201139970.db2.gz	CBYXVXGYFQIOAM-UHFFFAOYSA-N	0	0	312.347	2.262	10	5		DEBERN
C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCOCC2(CC2)C1	ZINC000611813087	361688462	/nfs/dbraw/zinc/68/84/62/361688462.db2.gz	AWVJBWPIQGQGEZ-LBPRGKRZSA-N	0	0	319.361	2.034	10	5		DEBERN
C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC(=O)N1C	ZINC000619704909	363861307	/nfs/dbraw/zinc/86/13/07/363861307.db2.gz	ATXMWLUVKPSJOP-LLVKDONJSA-N	0	0	321.377	2.439	10	5		DEBERN
O=C(C1CC1)[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CCO1	ZINC000619781686	363875736	/nfs/dbraw/zinc/87/57/36/363875736.db2.gz	AAUNWNUPPWFYAV-CQSZACIVSA-N	0	0	324.764	2.428	10	5		DEBERN
CCO[C@@H]1CCC[C@H]1Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-]	ZINC000450944706	242421345	/nfs/dbraw/zinc/42/13/45/242421345.db2.gz	UZAMGNGJQCAQLY-VXGBXAGGSA-N	0	0	323.349	2.454	10	5		DEBERN
C[NH+](C)C(C)(C)COc1cc(C(=O)[O-])c([N+](=O)[O-])cc1F	ZINC000093955022	193332137	/nfs/dbraw/zinc/33/21/37/193332137.db2.gz	QBYJZNDKNYJSBT-UHFFFAOYSA-N	0	0	300.286	2.151	10	5		DEBERN
CC1(C)CCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N	ZINC000094332330	193359118	/nfs/dbraw/zinc/35/91/18/193359118.db2.gz	AGJUAJKUWCCYDT-GFCCVEGCSA-N	0	0	313.379	2.034	10	5		DEBERN
CCc1ccc(NC(=O)[C@](C)(N)C(F)(F)F)cc1[N+](=O)[O-]	ZINC000094233754	193353152	/nfs/dbraw/zinc/35/31/52/193353152.db2.gz	ICUMFAZBAVCCFS-NSHDSACASA-N	0	0	305.256	2.375	10	5		DEBERN
Nc1ccccc1S(=O)(=O)Cc1ccc([N+](=O)[O-])c(F)c1	ZINC000094775636	193396585	/nfs/dbraw/zinc/39/65/85/193396585.db2.gz	WTDANHARMHSWAB-UHFFFAOYSA-N	0	0	310.306	2.290	10	5		DEBERN
NNc1cc(CN(CC(F)(F)F)C2CC2)ccc1[N+](=O)[O-]	ZINC000094778394	193396674	/nfs/dbraw/zinc/39/66/74/193396674.db2.gz	RKSYBEKINBOCRR-UHFFFAOYSA-N	0	0	304.272	2.407	10	5		DEBERN
O=C(N[C@H]1CCCn2ncnc21)c1ccc([N+](=O)[O-])cc1Cl	ZINC000177560818	284191571	/nfs/dbraw/zinc/19/15/71/284191571.db2.gz	GWNAVNMROYZORE-NSHDSACASA-N	0	0	321.724	2.105	10	5		DEBERN
CN(C)C(=O)NCCNc1cc(F)c(Cl)cc1[N+](=O)[O-]	ZINC000161059937	197461090	/nfs/dbraw/zinc/46/10/90/197461090.db2.gz	PYFGPTVWXJMSSJ-UHFFFAOYSA-N	0	0	304.709	2.070	10	5		DEBERN
COC(=O)c1cc(NCCOC(C)C)c([N+](=O)[O-])cc1F	ZINC000160563704	197422620	/nfs/dbraw/zinc/42/26/20/197422620.db2.gz	PIWKWCGRHISMGI-UHFFFAOYSA-N	0	0	300.286	2.357	10	5		DEBERN
NN=c1nc[nH]c(N[C@H]2CCCc3sccc32)c1[N+](=O)[O-]	ZINC000160067950	197383818	/nfs/dbraw/zinc/38/38/18/197383818.db2.gz	OQEUAYWIKHWNFP-QMMMGPOBSA-N	0	0	306.351	2.221	10	5		DEBERN
CCC[C@H]1C[C@@H]1Nc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-]	ZINC000267754443	206259994	/nfs/dbraw/zinc/25/99/94/206259994.db2.gz	YBEFYVXJHCADQJ-CABZTGNLSA-N	0	0	313.379	2.103	10	5		DEBERN
O=c1[nH]cnc(Nc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-]	ZINC000040659855	183114968	/nfs/dbraw/zinc/11/49/68/183114968.db2.gz	KFUSHFMPZPWYLU-UHFFFAOYSA-N	0	0	316.195	2.320	10	5		DEBERN
O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(F)c([N+](=O)[O-])c1	ZINC000040690644	183118402	/nfs/dbraw/zinc/11/84/02/183118402.db2.gz	KRNNNSBLMOXWKC-UHFFFAOYSA-N	0	0	312.238	2.351	10	5		DEBERN
NN=c1nc[nH]c(Nc2ccccc2C(F)(F)F)c1[N+](=O)[O-]	ZINC000040588803	183105781	/nfs/dbraw/zinc/10/57/81/183105781.db2.gz	VKKJTHHOCVLULI-UHFFFAOYSA-N	0	0	314.227	2.433	10	5		DEBERN
Nc1ccc(S(=O)(=O)Cc2cc(F)ccc2[N+](=O)[O-])cc1	ZINC000042193212	183240713	/nfs/dbraw/zinc/24/07/13/183240713.db2.gz	WAEHRZDUEYNXSQ-UHFFFAOYSA-N	0	0	310.306	2.290	10	5		DEBERN
Cc1c(I)cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000042689598	183296246	/nfs/dbraw/zinc/29/62/46/183296246.db2.gz	BOBVACBWBYEYKF-UHFFFAOYSA-N	0	0	308.031	2.416	10	5		DEBERN
CCCN(C[C@H]1CCCCO1)C(=O)c1c([N+](=O)[O-])c(C)nn1C	ZINC000106694697	194244609	/nfs/dbraw/zinc/24/46/09/194244609.db2.gz	HVLRKPIETZTAIM-GFCCVEGCSA-N	0	0	324.381	2.058	10	5		DEBERN
C[C@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[C@@H]1CCCO1	ZINC000050037525	183768383	/nfs/dbraw/zinc/76/83/83/183768383.db2.gz	BSWYOLRKUUHHQH-MADCSZMMSA-N	0	0	300.261	2.170	10	5		DEBERN
C[C@H]1CN(C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])C[C@H](C)O1	ZINC000050037211	183768576	/nfs/dbraw/zinc/76/85/76/183768576.db2.gz	XPLVSYUOIBITQR-YUMQZZPRSA-N	0	0	300.261	2.122	10	5		DEBERN
CO[C@@H]1CCC[C@@H]1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-]	ZINC000050373400	183783302	/nfs/dbraw/zinc/78/33/02/183783302.db2.gz	YLAAYJKYQHFIHL-CMPLNLGQSA-N	0	0	300.261	2.170	10	5		DEBERN
CCC[C@H](C)NS(=O)(=O)c1cc(NCC)ccc1[N+](=O)[O-]	ZINC000050632783	183791808	/nfs/dbraw/zinc/79/18/08/183791808.db2.gz	RNUJUVQPYLSFGO-JTQLQIEISA-N	0	0	315.395	2.494	10	5		DEBERN
CCNc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)C(C)C)c1	ZINC000050650792	183794021	/nfs/dbraw/zinc/79/40/21/183794021.db2.gz	RTUDRVOFZJLREA-SNVBAGLBSA-N	0	0	315.395	2.349	10	5		DEBERN
CCCN(CC)S(=O)(=O)c1cc(NCC)ccc1[N+](=O)[O-]	ZINC000050651601	183794798	/nfs/dbraw/zinc/79/47/98/183794798.db2.gz	BMBUNXKLYQCWKQ-UHFFFAOYSA-N	0	0	315.395	2.447	10	5		DEBERN
COC[C@H](O)CCc1ccc([N+](=O)[O-])cc1Br	ZINC000051697200	183834632	/nfs/dbraw/zinc/83/46/32/183834632.db2.gz	GICRPAWFZHMDKO-SNVBAGLBSA-N	0	0	304.140	2.297	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1COc2ccccc2C1	ZINC000053044414	183884569	/nfs/dbraw/zinc/88/45/69/183884569.db2.gz	RRXWLIJXILJLGC-GFCCVEGCSA-N	0	0	313.313	2.032	10	5		DEBERN
CNc1snnc1COc1cc(F)c([N+](=O)[O-])cc1F	ZINC000110624703	194343678	/nfs/dbraw/zinc/34/36/78/194343678.db2.gz	ZKNNMODTPJCOEA-UHFFFAOYSA-N	0	0	302.262	2.345	10	5		DEBERN
Cc1ccc(S(=O)(=O)N2CCCSCC2)cc1[N+](=O)[O-]	ZINC000060844385	184156432	/nfs/dbraw/zinc/15/64/32/184156432.db2.gz	BKEXCYWMZQRAPF-UHFFFAOYSA-N	0	0	316.404	2.031	10	5		DEBERN
CNc1ccc(S(=O)(=O)N2CCCC2(C)C)c([N+](=O)[O-])c1	ZINC000063074914	184269126	/nfs/dbraw/zinc/26/91/26/184269126.db2.gz	RRDDAHXVGLSLIY-UHFFFAOYSA-N	0	0	313.379	2.200	10	5		DEBERN
Cc1csc(CCNC(=O)c2cc([N+](=O)[O-])ccc2F)n1	ZINC000063134685	184272741	/nfs/dbraw/zinc/27/27/41/184272741.db2.gz	RMKYPBPMLWOGDM-UHFFFAOYSA-N	0	0	309.322	2.471	10	5		DEBERN
Cc1cccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1	ZINC000064245165	184293040	/nfs/dbraw/zinc/29/30/40/184293040.db2.gz	FDYIYQCERAQDHY-UHFFFAOYSA-N	0	0	312.372	2.443	10	5		DEBERN
O=C1[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)N1c1cccc([N+](=O)[O-])c1	ZINC000248818143	284991587	/nfs/dbraw/zinc/99/15/87/284991587.db2.gz	IRXALNCPAJHBIU-XDTLVQLUSA-N	0	0	301.302	2.162	10	5		DEBERN
CCNc1ncnc(Sc2nc(CC)ns2)c1[N+](=O)[O-]	ZINC000159078682	197325820	/nfs/dbraw/zinc/32/58/20/197325820.db2.gz	RGRVXVVKPYYGMK-UHFFFAOYSA-N	0	0	312.380	2.382	10	5		DEBERN
O=[N+]([O-])c1ccc(CCS(=O)(=O)NCCCC2CC2)cc1	ZINC000540940030	285142433	/nfs/dbraw/zinc/14/24/33/285142433.db2.gz	XWSJHNGYCKHGRZ-UHFFFAOYSA-N	0	0	312.391	2.247	10	5		DEBERN
CCC[C@@H](CC)NS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1	ZINC000157568286	197196947	/nfs/dbraw/zinc/19/69/47/197196947.db2.gz	BHLKGTPPZLFNEF-SSDOTTSWSA-N	0	0	307.397	2.096	10	5		DEBERN
CN(CC1CC1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1	ZINC000157414298	197185084	/nfs/dbraw/zinc/18/50/84/197185084.db2.gz	XGSXKDDBWIOIKI-UHFFFAOYSA-N	0	0	310.784	2.340	10	5		DEBERN
Cc1nn(-c2nc(N)ccc2[N+](=O)[O-])c(C)c1Br	ZINC000157284155	197176537	/nfs/dbraw/zinc/17/65/37/197176537.db2.gz	XTSLQESADBDCDT-UHFFFAOYSA-N	0	0	312.127	2.137	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCS(=O)(=O)[C@H](C)C1	ZINC000156179313	197092840	/nfs/dbraw/zinc/09/28/40/197092840.db2.gz	QXNNVVKQQATNNO-NEPJUHHUSA-N	0	0	312.391	2.083	10	5		DEBERN
CC(=O)c1ccc(OCc2nsc(N(C)C)n2)c([N+](=O)[O-])c1	ZINC000120888549	195258378	/nfs/dbraw/zinc/25/83/78/195258378.db2.gz	MGMONSJEDKNPHK-UHFFFAOYSA-N	0	0	322.346	2.294	10	5		DEBERN
CC(C)[C@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1	ZINC000125648242	195772694	/nfs/dbraw/zinc/77/26/94/195772694.db2.gz	NNGJPCYYMVQIHT-MRVPVSSYSA-N	0	0	319.408	2.048	10	5		DEBERN
CS(=O)(=O)c1ccc(Nc2cc(N)cc([N+](=O)[O-])c2)cc1	ZINC000127276644	195862797	/nfs/dbraw/zinc/86/27/97/195862797.db2.gz	HGHIXJJGRKNKQG-UHFFFAOYSA-N	0	0	307.331	2.324	10	5		DEBERN
CC(=O)c1cc(N2CC(F)(F)C[C@@H]2CO)ccc1[N+](=O)[O-]	ZINC000376386957	133293017	/nfs/dbraw/zinc/29/30/17/133293017.db2.gz	UATJQUBAGHYNNV-SNVBAGLBSA-N	0	0	300.261	2.004	10	5		DEBERN
Cc1ccc(NC(=O)C(=O)N2CCCC23CCC3)cc1[N+](=O)[O-]	ZINC000373176086	133380453	/nfs/dbraw/zinc/38/04/53/133380453.db2.gz	BBODKVDGIXXMQW-UHFFFAOYSA-N	0	0	317.345	2.387	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C	ZINC000246925419	145119879	/nfs/dbraw/zinc/11/98/79/145119879.db2.gz	DKWOOQDWYPBPEV-BFHYXJOUSA-N	0	0	304.346	2.447	10	5		DEBERN
CC(C)c1ccc(C(=O)NC[C@H](CO)C2CC2)cc1[N+](=O)[O-]	ZINC000358301617	147108862	/nfs/dbraw/zinc/10/88/62/147108862.db2.gz	GZSGYVHHLYNRQH-CYBMUJFWSA-N	0	0	306.362	2.467	10	5		DEBERN
CCOc1ccc(C(=O)N[C@@H](CO)CC2CCC2)cc1[N+](=O)[O-]	ZINC000359301454	147302767	/nfs/dbraw/zinc/30/27/67/147302767.db2.gz	HHGXPTPMSFGKKV-CYBMUJFWSA-N	0	0	322.361	2.274	10	5		DEBERN
CO[C@H]1CN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC[C@H]1C	ZINC000302561529	286074545	/nfs/dbraw/zinc/07/45/45/286074545.db2.gz	NBATWMPUJMVDJV-OTYXRUKQSA-N	0	0	318.333	2.105	10	5		DEBERN
Cc1nn(C)c(C(=O)N[C@H](C)c2ccc(F)c(F)c2)c1[N+](=O)[O-]	ZINC000127672556	401745002	/nfs/dbraw/zinc/74/50/02/401745002.db2.gz	AYWMPZWSHWSWQO-SSDOTTSWSA-N	0	0	324.287	2.406	10	5		DEBERN
CCC(C)(CC)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	ZINC000112827411	401759069	/nfs/dbraw/zinc/75/90/69/401759069.db2.gz	PPMAXMXHMQOGHX-UHFFFAOYSA-N	0	0	317.349	2.484	10	5		DEBERN
COCCOC[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1	ZINC000075952508	401774362	/nfs/dbraw/zinc/77/43/62/401774362.db2.gz	MMHSBGYRTOXBNQ-NSHDSACASA-N	0	0	300.380	2.141	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCOC[C@H]1CC(C)C	ZINC000113846536	401786278	/nfs/dbraw/zinc/78/62/78/401786278.db2.gz	XWCYJGKWUKATPZ-CYBMUJFWSA-N	0	0	307.350	2.185	10	5		DEBERN
CCOC(=O)c1ccnc(N2CCS[C@@H](C)C2)c1[N+](=O)[O-]	ZINC000077964427	401837374	/nfs/dbraw/zinc/83/73/74/401837374.db2.gz	BBOXXAMKHUPPNY-VIFPVBQESA-N	0	0	311.363	2.108	10	5		DEBERN
CC(C)(C)[C@H](O)CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-]	ZINC000078670286	401861584	/nfs/dbraw/zinc/86/15/84/401861584.db2.gz	FSUKELHUXXBNEJ-CQSZACIVSA-N	0	0	321.377	2.306	10	5		DEBERN
COc1cc2[nH]nc(I)c2c([N+](=O)[O-])c1	ZINC000042689509	401934036	/nfs/dbraw/zinc/93/40/36/401934036.db2.gz	MVRUMBZYNRQEIK-UHFFFAOYSA-N	0	0	319.058	2.084	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@@H](Oc2cccnc2)C1	ZINC000135785196	401953380	/nfs/dbraw/zinc/95/33/80/401953380.db2.gz	GOEQESHUKJDBAC-LLVKDONJSA-N	0	0	319.342	2.345	10	5		DEBERN
Cc1c(C(=O)N[C@H](C)[C@@H]2CCCO2)cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000046218150	401967834	/nfs/dbraw/zinc/96/78/34/401967834.db2.gz	OJQVVFJQKHBGRO-RNCFNFMXSA-N	0	0	323.305	2.109	10	5		DEBERN
Cc1sc(C(=O)Nc2ccc3n[nH]nc3c2)cc1[N+](=O)[O-]	ZINC000153535397	402151217	/nfs/dbraw/zinc/15/12/17/402151217.db2.gz	ZYVXGHRMSDNZQA-UHFFFAOYSA-N	0	0	303.303	2.488	10	5		DEBERN
O=C(NC[C@@H]1CCC[C@H](O)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000124017254	402159983	/nfs/dbraw/zinc/15/99/83/402159983.db2.gz	KLCHLYAZVWQFRL-PWSUYJOCSA-N	0	0	317.345	2.357	10	5		DEBERN
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N(CC(F)F)C1CC1	ZINC000106896128	402221200	/nfs/dbraw/zinc/22/12/00/402221200.db2.gz	OAOVBNCCEKPYNG-UHFFFAOYSA-N	0	0	324.280	2.152	10	5		DEBERN
Cc1ccc(S(=O)(=O)N(CC(F)F)C2CC2)cc1[N+](=O)[O-]	ZINC000106896433	402221338	/nfs/dbraw/zinc/22/13/38/402221338.db2.gz	AZHBJKXQRJOCMG-UHFFFAOYSA-N	0	0	320.317	2.321	10	5		DEBERN
CSCCCNc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1	ZINC000125293493	402224073	/nfs/dbraw/zinc/22/40/73/402224073.db2.gz	CZOCSLWIWUMAQJ-UHFFFAOYSA-N	0	0	304.393	2.163	10	5		DEBERN
Cc1cccc(C(=O)Nc2cnc(N(C)C)nc2)c1[N+](=O)[O-]	ZINC000125742483	402248263	/nfs/dbraw/zinc/24/82/63/402248263.db2.gz	XQOSMNRTXRTBCZ-UHFFFAOYSA-N	0	0	301.306	2.012	10	5		DEBERN
CN(C[C@H]1CCCN1c1cccnn1)c1ccc([N+](=O)[O-])cc1	ZINC000108946926	402265108	/nfs/dbraw/zinc/26/51/08/402265108.db2.gz	BPYDDURSFJRJLG-OAHLLOKOSA-N	0	0	313.361	2.490	10	5		DEBERN
Cc1ccc(NCCCNC(=O)[C@H]2CC[C@@H](C)O2)c([N+](=O)[O-])c1	ZINC000155974283	402272759	/nfs/dbraw/zinc/27/27/59/402272759.db2.gz	IRRMIHPLCILITG-IUODEOHRSA-N	0	0	321.377	2.389	10	5		DEBERN
Cc1c(F)cc(S(=O)(=O)N2CCC(C)(C)C2)cc1[N+](=O)[O-]	ZINC000184981142	402314804	/nfs/dbraw/zinc/31/48/04/402314804.db2.gz	BNICZOPVWQHNCJ-UHFFFAOYSA-N	0	0	316.354	2.463	10	5		DEBERN
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCOC1	ZINC000185341704	402345024	/nfs/dbraw/zinc/34/50/24/402345024.db2.gz	VGZIEPWQSSAYMF-ZIAGYGMSSA-N	0	0	306.362	2.459	10	5		DEBERN
C[C@]1(C(N)=O)CCCCN1Cc1cc([N+](=O)[O-])ccc1Cl	ZINC000185899413	402387359	/nfs/dbraw/zinc/38/73/59/402387359.db2.gz	XOGACUJPVGLUJC-CQSZACIVSA-N	0	0	311.769	2.478	10	5		DEBERN
CCOCCOCC(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1	ZINC000176704100	402329557	/nfs/dbraw/zinc/32/95/57/402329557.db2.gz	VDDLNINYNHZJLV-UHFFFAOYSA-N	0	0	319.317	2.135	10	5		DEBERN
CC[C@@H](NC(=O)c1c[nH]c(C)cc1=O)c1cccc([N+](=O)[O-])c1	ZINC000177788713	402436319	/nfs/dbraw/zinc/43/63/19/402436319.db2.gz	VLCYNZBXAAYQKJ-CQSZACIVSA-N	0	0	315.329	2.473	10	5		DEBERN
CC[C@@H](NC(=O)CCn1cccn1)c1cccc([N+](=O)[O-])c1	ZINC000177802937	402437706	/nfs/dbraw/zinc/43/77/06/402437706.db2.gz	KEYOEMFAVURDIY-CQSZACIVSA-N	0	0	302.334	2.449	10	5		DEBERN
Cc1c(NC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)cccc1[N+](=O)[O-]	ZINC000163117319	402441854	/nfs/dbraw/zinc/44/18/54/402441854.db2.gz	YBLRRNTWCNWOOY-GHMZBOCLSA-N	0	0	320.349	2.069	10	5		DEBERN
O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1Cc2ccccc2[C@H]1O	ZINC000170993116	402547676	/nfs/dbraw/zinc/54/76/76/402547676.db2.gz	YETFTEDHZQEVDC-LSDHHAIUSA-N	0	0	313.313	2.375	10	5		DEBERN
CCCc1n[nH]c(C(=O)NCCCc2ccccn2)c1[N+](=O)[O-]	ZINC000179074764	402570428	/nfs/dbraw/zinc/57/04/28/402570428.db2.gz	DQEJNESWABRKPK-UHFFFAOYSA-N	0	0	317.349	2.028	10	5		DEBERN
CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cnn2c1CCCC2	ZINC000179072052	402570670	/nfs/dbraw/zinc/57/06/70/402570670.db2.gz	ATNSCHKQXFLZCO-UHFFFAOYSA-N	0	0	314.345	2.400	10	5		DEBERN
O=C(N[C@@H]1Cc2ccccc2[C@@H]1O)c1ccc([N+](=O)[O-])s1	ZINC000178690664	402527061	/nfs/dbraw/zinc/52/70/61/402527061.db2.gz	GQRWEZKSIAHHAK-MFKMUULPSA-N	0	0	304.327	2.044	10	5		DEBERN
Cc1ccc([C@H](C)NC(=O)N(C)CC2CC(O)C2)cc1[N+](=O)[O-]	ZINC000190681133	402618385	/nfs/dbraw/zinc/61/83/85/402618385.db2.gz	PJVVXVSZPMFRHM-DCBWTQNWSA-N	0	0	321.377	2.377	10	5		DEBERN
CCc1n[nH]c(C(=O)N(C)Cc2ccc(Cl)nc2)c1[N+](=O)[O-]	ZINC000171773877	402620805	/nfs/dbraw/zinc/62/08/05/402620805.db2.gz	MKYKBOCSZLPCPD-UHFFFAOYSA-N	0	0	323.740	2.201	10	5		DEBERN
COc1cc(C(=O)N2CC[C@H](C)[C@H](OC)C2)cc([N+](=O)[O-])c1C	ZINC000190781895	402622729	/nfs/dbraw/zinc/62/27/29/402622729.db2.gz	STXIJBYCUHTMAF-ZUZCIYMTSA-N	0	0	322.361	2.409	10	5		DEBERN
CC[C@@H](NC(=O)Cc1ccn(C)n1)c1cccc([N+](=O)[O-])c1	ZINC000181635710	402652807	/nfs/dbraw/zinc/65/28/07/402652807.db2.gz	SXPZLIZMRCSVBW-CQSZACIVSA-N	0	0	302.334	2.138	10	5		DEBERN
O=[N+]([O-])c1ccc(OCCN2CCCC[C@H]2c2nc[nH]n2)cc1	ZINC000182758446	402713939	/nfs/dbraw/zinc/71/39/39/402713939.db2.gz	SWOCXEOFWDIVAK-AWEZNQCLSA-N	0	0	317.349	2.319	10	5		DEBERN
CO[C@@H]1CN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@@H]1C	ZINC000253339787	402662273	/nfs/dbraw/zinc/66/22/73/402662273.db2.gz	ANQPOUNDEGHAIU-YWPYICTPSA-N	0	0	321.377	2.279	10	5		DEBERN
C[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCO1	ZINC000183150417	402742752	/nfs/dbraw/zinc/74/27/52/402742752.db2.gz	OYRLLSNGIYPOGC-MFKMUULPSA-N	0	0	318.333	2.302	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@@H]([C@@H]2CCCO2)C1	ZINC000183391917	402762358	/nfs/dbraw/zinc/76/23/58/402762358.db2.gz	YFOVCBRHJJCBLT-JKSUJKDBSA-N	0	0	306.362	2.283	10	5		DEBERN
O=C(Nc1ccncc1[N+](=O)[O-])N[C@H]1COc2ccccc21	ZINC000183617348	402782125	/nfs/dbraw/zinc/78/21/25/402782125.db2.gz	ZAGRNBCOWPVYOB-NSHDSACASA-N	0	0	300.274	2.245	10	5		DEBERN
Nc1ccc([N+](=O)[O-])c(N2CCN(c3cccs3)C(=O)C2)c1	ZINC000193502176	402771708	/nfs/dbraw/zinc/77/17/08/402771708.db2.gz	MPIMHADHFWAZGZ-UHFFFAOYSA-N	0	0	318.358	2.092	10	5		DEBERN
Cc1sc(C(=O)N(C)CC(=O)OC(C)(C)C)cc1[N+](=O)[O-]	ZINC000195093494	402831212	/nfs/dbraw/zinc/83/12/12/402831212.db2.gz	MJJAACNLSUKLCQ-UHFFFAOYSA-N	0	0	314.363	2.378	10	5		DEBERN
Cc1cc(N2CCC(c3ccnn3C)CC2)ncc1[N+](=O)[O-]	ZINC000266855678	402995275	/nfs/dbraw/zinc/99/52/75/402995275.db2.gz	SZVGHPOZWCQLCA-UHFFFAOYSA-N	0	0	301.350	2.416	10	5		DEBERN
CC[C@H]1CN(c2ccc([N+](=O)[O-])cn2)CCN1CC(F)F	ZINC000270804836	403226438	/nfs/dbraw/zinc/22/64/38/403226438.db2.gz	OQIOGPOKSYJIHV-JTQLQIEISA-N	0	0	300.309	2.156	10	5		DEBERN
CC(=O)c1ccc(Oc2ncc([N+](=O)[O-])cc2C(N)=O)c(C)c1	ZINC000342964075	403412909	/nfs/dbraw/zinc/41/29/09/403412909.db2.gz	MNSXZIFSTMTEAL-UHFFFAOYSA-N	0	0	315.285	2.392	10	5		DEBERN
C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCO[C@H](C2CC2)C1	ZINC000368786307	403857091	/nfs/dbraw/zinc/85/70/91/403857091.db2.gz	XRFNWRBQJFYNFM-ABAIWWIYSA-N	0	0	319.361	2.033	10	5		DEBERN
O=[N+]([O-])c1ccc(NC2COCCOC2)c(Br)c1	ZINC000311022649	403970356	/nfs/dbraw/zinc/97/03/56/403970356.db2.gz	OOIIWXYJATYBBL-UHFFFAOYSA-N	0	0	317.139	2.185	10	5		DEBERN
C[C@H]1CCOCCN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12	ZINC000360796532	404838229	/nfs/dbraw/zinc/83/82/29/404838229.db2.gz	ZYPPERLNALUWPB-NSHDSACASA-N	0	0	315.329	2.394	10	5		DEBERN
Nc1c(C(=O)Nc2cccc(-c3nc[nH]n3)c2)cccc1[N+](=O)[O-]	ZINC000361394317	405053880	/nfs/dbraw/zinc/05/38/80/405053880.db2.gz	YCCJKYIFVIFNQG-UHFFFAOYSA-N	0	0	324.300	2.214	10	5		DEBERN
C[C@H]1C[C@@H](CCNC(=O)Cn2cnc([N+](=O)[O-])n2)CC(C)(C)C1	ZINC000436228936	405060843	/nfs/dbraw/zinc/06/08/43/405060843.db2.gz	RIXKWLCYDSRSLN-NWDGAFQWSA-N	0	0	323.397	2.155	10	5		DEBERN
O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O	ZINC000407961564	405076541	/nfs/dbraw/zinc/07/65/41/405076541.db2.gz	IBTHDDDBMNBLJO-BNOWGMLFSA-N	0	0	307.350	2.079	10	5		DEBERN
C/C=C/C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)OCC	ZINC000361549084	405128186	/nfs/dbraw/zinc/12/81/86/405128186.db2.gz	JAIHGASNECINNM-MASHWEEQSA-N	0	0	324.308	2.362	10	5		DEBERN
C[C@H]1CCOCCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000367630629	405108657	/nfs/dbraw/zinc/10/86/57/405108657.db2.gz	FQQXFDSNVKXJQO-NSHDSACASA-N	0	0	317.345	2.256	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1	ZINC000408233206	405147802	/nfs/dbraw/zinc/14/78/02/405147802.db2.gz	YUIKFTXPFLBFIL-QWHCGFSZSA-N	0	0	303.362	2.212	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c1	ZINC000408233204	405147839	/nfs/dbraw/zinc/14/78/39/405147839.db2.gz	YUIKFTXPFLBFIL-CHWSQXEVSA-N	0	0	303.362	2.212	10	5		DEBERN
C[C@@H]1C[C@@H]1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1	ZINC000468341002	406097570	/nfs/dbraw/zinc/09/75/70/406097570.db2.gz	RLESRXSTGUMICK-GHMZBOCLSA-N	0	0	305.334	2.023	10	5		DEBERN
O=[N+]([O-])c1ccc(N[C@@H]2CCCC[C@H]2N2CCOCC2)cn1	ZINC000521718166	406363770	/nfs/dbraw/zinc/36/37/70/406363770.db2.gz	JZNIWNOFMOTVFB-ZIAGYGMSSA-N	0	0	306.366	2.045	10	5		DEBERN
CCOC(=O)Cc1cc([N+](=O)[O-])c(Br)cc1OC	ZINC000575699659	406820504	/nfs/dbraw/zinc/82/05/04/406820504.db2.gz	LPIQNCXCOFGGIT-UHFFFAOYSA-N	0	0	318.123	2.472	10	5		DEBERN
COC(=O)Cc1cc(OC)cc([N+](=O)[O-])c1Br	ZINC000575713081	406822258	/nfs/dbraw/zinc/82/22/58/406822258.db2.gz	UQDAMTCSYSIYMZ-UHFFFAOYSA-N	0	0	304.096	2.081	10	5		DEBERN
COC(=O)c1c(C)ccc([N+](=O)[O-])c1I	ZINC000575714614	406822688	/nfs/dbraw/zinc/82/26/88/406822688.db2.gz	LDGWCXJBPAVCHG-UHFFFAOYSA-N	0	0	321.070	2.294	10	5		DEBERN
COc1c(I)ccc([N+](=O)[O-])c1C=O	ZINC000575727360	406825582	/nfs/dbraw/zinc/82/55/82/406825582.db2.gz	FXXAVHNZDHSAQA-UHFFFAOYSA-N	0	0	307.043	2.021	10	5		DEBERN
O=[N+]([O-])c1ccc(N2CCC([C@H](O)C(F)(F)F)CC2)cn1	ZINC000555415774	406843171	/nfs/dbraw/zinc/84/31/71/406843171.db2.gz	DJPKRJOSTZMRHA-NSHDSACASA-N	0	0	305.256	2.129	10	5		DEBERN
C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@H]1COc2ccccc21	ZINC000129051908	196015087	/nfs/dbraw/zinc/01/50/87/196015087.db2.gz	OGSIZASSTWFLPQ-GXSJLCMTSA-N	0	0	302.286	2.482	10	5		DEBERN
CS[C@H](C)CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-]	ZINC000130897039	196120722	/nfs/dbraw/zinc/12/07/22/196120722.db2.gz	WHODBIHQKMAPGA-MRVPVSSYSA-N	0	0	308.363	2.385	10	5		DEBERN
CNc1cc(S(=O)(=O)N(C)[C@H](C)C2CC2)ccc1[N+](=O)[O-]	ZINC000131969454	196215683	/nfs/dbraw/zinc/21/56/83/196215683.db2.gz	XMTLIFFLYVPMPR-SECBINFHSA-N	0	0	313.379	2.056	10	5		DEBERN
CCCNc1cc(S(=O)(=O)N[C@@H]2C[C@@H]2C)ccc1[N+](=O)[O-]	ZINC000132417497	196254440	/nfs/dbraw/zinc/25/44/40/196254440.db2.gz	HNKSYWFNQRSHAP-GXSJLCMTSA-N	0	0	313.379	2.103	10	5		DEBERN
CC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(N)c2)CCCC1	ZINC000132673198	196274718	/nfs/dbraw/zinc/27/47/18/196274718.db2.gz	RZINULDUKLIFFP-UHFFFAOYSA-N	0	0	313.379	2.036	10	5		DEBERN
C[C@@H](CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[S@](C)=O	ZINC000132911572	196296187	/nfs/dbraw/zinc/29/61/87/196296187.db2.gz	CUCVDCJNVNXCRR-FFVOIRBGSA-N	0	0	318.782	2.135	10	5		DEBERN
C[C@@H]1CN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)C[C@@H](C)O1	ZINC000134017986	196354208	/nfs/dbraw/zinc/35/42/08/196354208.db2.gz	ZINPIKLBVWJIHN-HTQZYQBOSA-N	0	0	300.261	2.122	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCCc2ccc(Cl)cc2)n1	ZINC000191453617	225110406	/nfs/dbraw/zinc/11/04/06/225110406.db2.gz	OFCXCQPWBVCAEO-UHFFFAOYSA-N	0	0	322.752	2.437	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)CCSC)n1	ZINC000191623925	225114913	/nfs/dbraw/zinc/11/49/13/225114913.db2.gz	FLSQISUGBDBKHE-VIFPVBQESA-N	0	0	300.384	2.025	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCCO[C@@H]2CCCC[C@@H]2C)n1	ZINC000191773346	225117561	/nfs/dbraw/zinc/11/75/61/225117561.db2.gz	HKZCSSMGLMODCV-WCQYABFASA-N	0	0	324.381	2.136	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nnc(C(F)F)s1	ZINC000193927220	225170505	/nfs/dbraw/zinc/17/05/05/225170505.db2.gz	XWDOAHPAFLBZIB-UHFFFAOYSA-N	0	0	315.261	2.340	10	5		DEBERN
Cc1ccn2c(c1)nnc2NC(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000088254547	418492577	/nfs/dbraw/zinc/49/25/77/418492577.db2.gz	AXOBDFWZWSNZIS-UHFFFAOYSA-N	0	0	315.264	2.337	10	5		DEBERN
O=[N+]([O-])c1cc(F)c(NCc2nc(CO)cs2)c(F)c1	ZINC000302260998	230204791	/nfs/dbraw/zinc/20/47/91/230204791.db2.gz	DHNYDVRRQPUAEK-UHFFFAOYSA-N	0	0	301.274	2.434	10	5		DEBERN
COC(=O)c1cc(C)nc(NCC2(C)CCCC2)c1[N+](=O)[O-]	ZINC000553059003	424877190	/nfs/dbraw/zinc/87/71/90/424877190.db2.gz	YUBQZGCMSBIVKZ-UHFFFAOYSA-N	0	0	307.350	3.077	10	5		DEBERN
COC(=O)c1cc(C)nc(NCc2cc(C)cs2)c1[N+](=O)[O-]	ZINC000450721681	425079165	/nfs/dbraw/zinc/07/91/65/425079165.db2.gz	YFJWGFIWHZBWKW-UHFFFAOYSA-N	0	0	321.358	3.067	10	5		DEBERN
CCN(Cc1ccccn1)C(=O)c1cc([N+](=O)[O-])cnc1C	ZINC000177664622	267562131	/nfs/dbraw/zinc/56/21/31/267562131.db2.gz	VRXXLZRBGRGWDY-UHFFFAOYSA-N	0	0	300.318	2.356	10	5		DEBERN
CC(C)[C@H](C)NC(=O)C1CCN(c2ncccc2[N+](=O)[O-])CC1	ZINC000301118820	277880287	/nfs/dbraw/zinc/88/02/87/277880287.db2.gz	LNYDTXBYKCTRDP-LBPRGKRZSA-N	0	0	320.393	2.367	10	5		DEBERN
C[C@@H]1OCC[C@@H]1S(=O)(=O)Oc1cc([N+](=O)[O-])ccc1Cl	ZINC000190207359	278057381	/nfs/dbraw/zinc/05/73/81/278057381.db2.gz	IUZRNQOHLOETMX-CPCISQLKSA-N	0	0	321.738	2.134	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CCCN(C(=O)C(C)C)CC2)n1	ZINC000408172197	278665177	/nfs/dbraw/zinc/66/51/77/278665177.db2.gz	TVVRKVJHWKFLNR-UHFFFAOYSA-N	0	0	320.393	2.301	10	5		DEBERN
C[C@H]1CN(C)C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000155692934	279837185	/nfs/dbraw/zinc/83/71/85/279837185.db2.gz	ABWRREUIUOZWOU-UWVGGRQHSA-N	0	0	311.769	2.413	10	5		DEBERN
O=C1[C@@H]2[C@@H]3CCC[C@@H]3CN2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000191699005	280320471	/nfs/dbraw/zinc/32/04/71/280320471.db2.gz	PAIAILSUPQUXES-WQAKAFBOSA-N	0	0	301.302	2.162	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCOc1ccccc1	ZINC000052967407	281475801	/nfs/dbraw/zinc/47/58/01/281475801.db2.gz	PBAAWVUTMDGBNT-UHFFFAOYSA-N	0	0	315.329	2.497	10	5		DEBERN
CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccnn1C	ZINC000135550416	282076540	/nfs/dbraw/zinc/07/65/40/282076540.db2.gz	RNKMXEZHJNBHIC-UHFFFAOYSA-N	0	0	320.374	2.370	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1OCC(=O)NC1CCCCC1	ZINC000006290788	525472755	/nfs/dbraw/zinc/47/27/55/525472755.db2.gz	OGJLZGALWHSLTA-UHFFFAOYSA-N	0	0	308.334	2.431	10	5		DEBERN
CCCn1nccc1NC(=O)c1cccc(OC)c1[N+](=O)[O-]	ZINC000194006559	528896735	/nfs/dbraw/zinc/89/67/35/528896735.db2.gz	NQNHQMFEYFDLET-UHFFFAOYSA-N	0	0	304.306	2.462	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2cnc(C(C)(C)C)nc2)n1	ZINC000191575219	529155108	/nfs/dbraw/zinc/15/51/08/529155108.db2.gz	RYYNLNFHYRAERZ-UHFFFAOYSA-N	0	0	318.337	2.151	10	5		DEBERN
CCOC(=O)C1(C(=O)Oc2ccc(CC)cc2[N+](=O)[O-])CC1	ZINC000181110560	625247756	/nfs/dbraw/zinc/24/77/56/625247756.db2.gz	SYOVWLPPUIMNJV-UHFFFAOYSA-N	0	0	307.302	2.406	10	5		DEBERN
COc1cc(NCC[C@@H](C)[S@@](C)=O)c([N+](=O)[O-])cc1OC	ZINC000167390896	625886940	/nfs/dbraw/zinc/88/69/40/625886940.db2.gz	XQYTUFPQTUAQBO-BTKVJGODSA-N	0	0	316.379	2.181	10	5		DEBERN
CC[C@H](Cc1ccc(C)cc1)OC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000744261620	638204694	/nfs/dbraw/zinc/20/46/94/638204694.db2.gz	YJWQBMQPHGZQMM-CYBMUJFWSA-N	0	0	318.333	2.059	10	5		DEBERN
COC(=O)/C(C)=C/COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	ZINC000748162402	638518570	/nfs/dbraw/zinc/51/85/70/638518570.db2.gz	FEUYNMVEVDNZHU-OSODFHRSSA-N	0	0	305.286	2.271	10	5		DEBERN
COC(=O)/C(C)=C\COC(=O)CCOc1ccccc1[N+](=O)[O-]	ZINC000748179002	638522409	/nfs/dbraw/zinc/52/24/09/638522409.db2.gz	NBJXDOXODUTLPC-XFFZJAGNSA-N	0	0	323.301	2.026	10	5		DEBERN
CCOC(=O)[C@@H](CC1CC1)NC(=O)c1csc([N+](=O)[O-])c1	ZINC000752388317	639179675	/nfs/dbraw/zinc/17/96/75/639179675.db2.gz	ZEPRGZKCEWZZTK-SNVBAGLBSA-N	0	0	312.347	2.118	10	5		DEBERN
C/C(=C/C(=O)NCCc1ccon1)c1ccc([N+](=O)[O-])cc1	ZINC000752663364	639207306	/nfs/dbraw/zinc/20/73/06/639207306.db2.gz	WYSJLKQERAGBOR-KHPPLWFESA-N	0	0	301.302	2.345	10	5		DEBERN
C/C(=C\C(=O)N1CCC[C@](C)(O)C1)c1ccc([N+](=O)[O-])cc1	ZINC000752718126	639210416	/nfs/dbraw/zinc/21/04/16/639210416.db2.gz	AKZVFJIEBZBLND-TYZQSYOASA-N	0	0	304.346	2.372	10	5		DEBERN
C/C(=C\C(=O)N(C)Cc1ncon1)c1ccc([N+](=O)[O-])cc1	ZINC000752757262	639216108	/nfs/dbraw/zinc/21/61/08/639216108.db2.gz	VDMHVUCISYLHLA-JXMROGBWSA-N	0	0	302.290	2.040	10	5		DEBERN
CC(C)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)N(C)C	ZINC000729706545	640829295	/nfs/dbraw/zinc/82/92/95/640829295.db2.gz	QTVDXIZXCWGKEB-LBPRGKRZSA-N	0	0	312.297	2.004	10	5		DEBERN
COC(=O)c1cc(C)nc(Nc2cccc(CO)c2)c1[N+](=O)[O-]	ZINC000804327044	645754834	/nfs/dbraw/zinc/75/48/34/645754834.db2.gz	JXRBOMAPIZVCNL-UHFFFAOYSA-N	0	0	317.301	2.321	10	5		DEBERN
C/C(=C\C(=O)N[C@](C)(C(N)=O)C(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000804426775	645768344	/nfs/dbraw/zinc/76/83/44/645768344.db2.gz	FLWMSHNKNSGRNR-SOGBHIHOSA-N	0	0	319.361	2.014	10	5		DEBERN
CC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H](O)CC(F)(F)C1	ZINC000804646915	645800317	/nfs/dbraw/zinc/80/03/17/645800317.db2.gz	XNKWXHQICMXEPN-JTQLQIEISA-N	0	0	300.261	2.004	10	5		DEBERN
CCO[C@@H]1C[C@H](N(C)Cn2nccc2[N+](=O)[O-])C12CCCC2	ZINC000156505560	646430135	/nfs/dbraw/zinc/43/01/35/646430135.db2.gz	COOBRWJVOUQINJ-QWHCGFSZSA-N	0	0	308.382	2.418	10	5		DEBERN
C[C@H]1CO[C@@H](c2ccccc2)CN1Cn1nccc1[N+](=O)[O-]	ZINC000171044044	646683812	/nfs/dbraw/zinc/68/38/12/646683812.db2.gz	IRXUYFFTZWMBSE-GXTWGEPZSA-N	0	0	302.334	2.211	10	5		DEBERN
CC(C)[C@@H](C)CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-]	ZINC000172581000	646744244	/nfs/dbraw/zinc/74/42/44/646744244.db2.gz	IIXZIRMJVRKNEV-NSHDSACASA-N	0	0	308.334	2.194	10	5		DEBERN
CC(=O)N1CSC[C@@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1	ZINC000349878113	685320938	/nfs/dbraw/zinc/32/09/38/685320938.db2.gz	KWWAACJMRORGPD-LLVKDONJSA-N	0	0	320.330	2.239	10	5		DEBERN
C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)NCc1ccco1	ZINC000076940876	683948136	/nfs/dbraw/zinc/94/81/36/683948136.db2.gz	UDSJZRIUMWJJCU-LLVKDONJSA-N	0	0	315.329	2.255	10	5		DEBERN
Cc1ncc([N+](=O)[O-])n1CCOC(=O)CSC(C)(C)C	ZINC000079331839	683972033	/nfs/dbraw/zinc/97/20/33/683972033.db2.gz	TUIFKQUNAQVNRL-UHFFFAOYSA-N	0	0	301.368	2.175	10	5		DEBERN
C/C(=C/c1ccc(F)cc1)C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000122182949	684113376	/nfs/dbraw/zinc/11/33/76/684113376.db2.gz	RKZZMAOUILUTBI-FLIBITNWSA-N	0	0	318.308	2.150	10	5		DEBERN
Cc1nnc(COc2cc(C=O)ccc2[N+](=O)[O-])n1C1CC1	ZINC000130668665	684191233	/nfs/dbraw/zinc/19/12/33/684191233.db2.gz	RQNHULAFRICTCA-UHFFFAOYSA-N	0	0	302.290	2.221	10	5		DEBERN
CN(C)c1ncc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cn1	ZINC000157951622	684296668	/nfs/dbraw/zinc/29/66/68/684296668.db2.gz	RENMBBANTLTWEM-UHFFFAOYSA-N	0	0	321.724	2.357	10	5		DEBERN
CC(=O)N1CSC[C@H]1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C	ZINC000194790547	685077705	/nfs/dbraw/zinc/07/77/05/685077705.db2.gz	MCDBQAPDLMSMPT-ZDUSSCGKSA-N	0	0	323.374	2.072	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)Oc1cccc([N+](=O)[O-])c1	ZINC000195078128	685086723	/nfs/dbraw/zinc/08/67/23/685086723.db2.gz	QMFIWEQIRJAXEK-UHFFFAOYSA-N	0	0	303.230	2.426	10	5		DEBERN
C[C@H]1CN(Cn2nccc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1	ZINC000247241060	685144870	/nfs/dbraw/zinc/14/48/70/685144870.db2.gz	XXUPANUMZBYCDT-FZMZJTMJSA-N	0	0	320.324	2.350	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](CO)C1	ZINC000588444152	777198857	/nfs/dbraw/zinc/19/88/57/777198857.db2.gz	NPWHMVVQGDVHQZ-FWLQQBITSA-N	0	0	304.346	2.229	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OC1CCN(C=O)CC1	ZINC000588448217	781639262	/nfs/dbraw/zinc/63/92/62/781639262.db2.gz	IJIRJGIHNWFKIL-BENRWUELSA-N	0	0	318.329	2.162	10	5		DEBERN
Nc1c(Cl)cc(C(=O)NCc2nccs2)cc1[N+](=O)[O-]	ZINC000050708638	1078476504	/nfs/dbraw/zinc/47/65/04/1078476504.db2.gz	ZURIQLVWCIZXKX-UHFFFAOYSA-N	0	0	312.738	2.217	10	5		DEBERN
CCc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cc(C)c2=O)cc1	ZINC000096778096	185387174	/nfs/dbraw/zinc/38/71/74/185387174.db2.gz	MWVRLTGEWCFJGA-UHFFFAOYSA-N	0	0	315.329	2.266	10	5		DEBERN
CNc1ncnc(Sc2nnc(SC)s2)c1[N+](=O)[O-]	ZINC000096842770	185389376	/nfs/dbraw/zinc/38/93/76/185389376.db2.gz	UNPRHJSFTKXMBS-UHFFFAOYSA-N	0	0	316.393	2.151	10	5		DEBERN
CCNC(=O)[C@H](C)Nc1cc(Br)ccc1[N+](=O)[O-]	ZINC000087834319	185232951	/nfs/dbraw/zinc/23/29/51/185232951.db2.gz	FAVNHKAOOQWVHH-ZETCQYMHSA-N	0	0	316.155	2.294	10	5		DEBERN
CCOCCS(=O)(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1	ZINC000090203205	185287005	/nfs/dbraw/zinc/28/70/05/185287005.db2.gz	JJWBMPMQJPMJLM-ZDUSSCGKSA-N	0	0	316.379	2.002	10	5		DEBERN
COC(=O)C[C@H](C[N+](=O)[O-])c1cccc(Br)c1	ZINC000090513905	185299951	/nfs/dbraw/zinc/29/99/51/185299951.db2.gz	FMUKDEUMOKZMJG-SECBINFHSA-N	0	0	302.124	2.373	10	5		DEBERN
COC(=O)C1CCC(C(=O)NCc2ccccc2[N+](=O)[O-])CC1	ZINC000179468513	282226329	/nfs/dbraw/zinc/22/63/29/282226329.db2.gz	YLRXXDITMKCJNL-UHFFFAOYSA-N	0	0	320.345	2.190	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N(CC(F)F)C2CC2)c(F)c1	ZINC000106896356	185460939	/nfs/dbraw/zinc/46/09/39/185460939.db2.gz	IDWMHUGQLZZPJS-UHFFFAOYSA-N	0	0	324.280	2.152	10	5		DEBERN
CC(=O)CCCCCCC(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C	ZINC000616582525	362894374	/nfs/dbraw/zinc/89/43/74/362894374.db2.gz	SYXWNBIKWCHJBE-AWEZNQCLSA-O	0	0	316.418	2.009	10	5		DEBERN
CCNc1cccc(S(=O)(=O)N(C)CC2CC2)c1[N+](=O)[O-]	ZINC000126939979	185906187	/nfs/dbraw/zinc/90/61/87/185906187.db2.gz	ZOMLRSPYLCFVOZ-UHFFFAOYSA-N	0	0	313.379	2.057	10	5		DEBERN
Cc1ccccc1NC(=O)[C@H](C)n1cc([N+](=O)[O-])ccc1=O	ZINC000071515070	190986277	/nfs/dbraw/zinc/98/62/77/190986277.db2.gz	XOPBIUVUWITDCP-NSHDSACASA-N	0	0	301.302	2.265	10	5		DEBERN
Cc1c([N+](=O)[O-])ccc(=O)n1CC(=O)c1c[nH]c2ccccc12	ZINC000071526768	190987181	/nfs/dbraw/zinc/98/71/81/190987181.db2.gz	KVAYQYRMZPCRSM-UHFFFAOYSA-N	0	0	311.297	2.429	10	5		DEBERN
COCCCNC(=O)[C@@H](C)Oc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000133616030	186000100	/nfs/dbraw/zinc/00/01/00/186000100.db2.gz	NDKFXCMFMYZVCQ-SECBINFHSA-N	0	0	316.741	2.168	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1Oc1cc(N)nc(SC)n1	ZINC000147850359	186042027	/nfs/dbraw/zinc/04/20/27/186042027.db2.gz	DHHZIJKLOCLRGP-UHFFFAOYSA-N	0	0	308.319	2.490	10	5		DEBERN
O=c1[nH]nc2c3cc([N+](=O)[O-])cc(Br)c3[nH]cc1-2	ZINC000072237345	191080807	/nfs/dbraw/zinc/08/08/07/191080807.db2.gz	GSOGXWIEHINAJG-UHFFFAOYSA-N	0	0	309.079	2.487	10	5		DEBERN
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1C[C@@H]2CCC[C@H]2C1	ZINC000152573454	186086074	/nfs/dbraw/zinc/08/60/74/186086074.db2.gz	WBSIJXZRZNOPMR-UWVGGRQHSA-N	0	0	314.338	2.155	10	5		DEBERN
Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCCN(c2ncccn2)C1	ZINC000171277391	197910732	/nfs/dbraw/zinc/91/07/32/197910732.db2.gz	XAYWLNKFVCOXAB-GFCCVEGCSA-N	0	0	314.349	2.169	10	5		DEBERN
C[C@@H]1C[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)C1	ZINC000164259112	186153805	/nfs/dbraw/zinc/15/38/05/186153805.db2.gz	KCZRJXUUBWCZSO-BDAKNGLRSA-N	0	0	302.327	2.153	10	5		DEBERN
CC(C)OCCN1CCN(Cc2csc([N+](=O)[O-])c2)CC1	ZINC000173168346	198191247	/nfs/dbraw/zinc/19/12/47/198191247.db2.gz	INIJTQMBECVAPS-UHFFFAOYSA-N	0	0	313.423	2.199	10	5		DEBERN
C[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])c1cccnc1	ZINC000173687691	198240622	/nfs/dbraw/zinc/24/06/22/198240622.db2.gz	CPXPNEUTXRFJAL-GFCCVEGCSA-N	0	0	314.345	2.322	10	5		DEBERN
COC(=O)[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000042647406	354201833	/nfs/dbraw/zinc/20/18/33/354201833.db2.gz	JDLTVZGUNOAPOY-ZDUSSCGKSA-N	0	0	306.318	2.071	10	5		DEBERN
CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000057616676	354575191	/nfs/dbraw/zinc/57/51/91/354575191.db2.gz	CWEDGJMGTQWNBF-LLVKDONJSA-N	0	0	311.725	2.198	10	5		DEBERN
O=[N+]([O-])c1cc(F)ccc1Nc1cnn(-c2ncccn2)c1	ZINC000078019794	355240845	/nfs/dbraw/zinc/24/08/45/355240845.db2.gz	WBVLJKWSTOQMOB-UHFFFAOYSA-N	0	0	300.253	2.453	10	5		DEBERN
CCC[N@@H+](CCC(=O)[O-])CC[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000075217011	191441673	/nfs/dbraw/zinc/44/16/73/191441673.db2.gz	POVLYGLJKJKLMO-AWEZNQCLSA-N	0	0	310.350	2.205	10	5		DEBERN
Cc1ccc(NC(=O)[C@H](C)n2cc([N+](=O)[O-])ccc2=O)cc1	ZINC000005038955	181195417	/nfs/dbraw/zinc/19/54/17/181195417.db2.gz	NORRZDQWCGYJBZ-NSHDSACASA-N	0	0	301.302	2.265	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](C2OCCO2)C1	ZINC000076455980	191648021	/nfs/dbraw/zinc/64/80/21/191648021.db2.gz	DGMARQQZPFKTGM-GFCCVEGCSA-N	0	0	320.345	2.128	10	5		DEBERN
CC1(C)CC[C@@](N)(C(F)(F)CO)c2cc([N+](=O)[O-])ccc21	ZINC000147896241	355913783	/nfs/dbraw/zinc/91/37/83/355913783.db2.gz	GYBWLSUQKNTQJI-ZDUSSCGKSA-N	0	0	300.305	2.448	10	5		DEBERN
CN(C)c1ncccc1N(C)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000079722820	191965612	/nfs/dbraw/zinc/96/56/12/191965612.db2.gz	ULGQCFUZQNYDPU-UHFFFAOYSA-N	0	0	300.318	2.332	10	5		DEBERN
COCCOC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1	ZINC000183376199	356169729	/nfs/dbraw/zinc/16/97/29/356169729.db2.gz	OAGXWUQAESUYGF-CQSZACIVSA-N	0	0	308.378	2.388	10	5		DEBERN
O=C(N[C@@H]1CCSC1=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000005713753	181275771	/nfs/dbraw/zinc/27/57/71/181275771.db2.gz	AXTKBDLSUFDDOI-SECBINFHSA-N	0	0	300.723	2.010	10	5		DEBERN
C[C@H]1CCC[C@](O)(CNc2ncnc(Cl)c2[N+](=O)[O-])C1	ZINC000087087903	192622866	/nfs/dbraw/zinc/62/28/66/192622866.db2.gz	RPUIETQCFAUBMV-QPUJVOFHSA-N	0	0	300.746	2.391	10	5		DEBERN
CCCN(C[C@H]1CCCCO1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000187078196	283288525	/nfs/dbraw/zinc/28/85/25/283288525.db2.gz	HQIQQZNCLITAOR-GFCCVEGCSA-N	0	0	323.349	2.117	10	5		DEBERN
CCC1(CC)CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[S@]1=O	ZINC000186758991	200005631	/nfs/dbraw/zinc/00/56/31/200005631.db2.gz	PXOXUTAMJSNCMM-JOCHJYFZSA-N	0	0	324.402	2.358	10	5		DEBERN
CC[C@@H](NC(=O)N(C)CC1(CO)CC1)c1cccc([N+](=O)[O-])c1	ZINC000187282183	200088612	/nfs/dbraw/zinc/08/86/12/200088612.db2.gz	XNNWMBIWHUCFFO-CQSZACIVSA-N	0	0	321.377	2.460	10	5		DEBERN
CO[C@H]1CN(C(=O)NCc2ccccc2[N+](=O)[O-])CC[C@H]1C	ZINC000187352249	200099951	/nfs/dbraw/zinc/09/99/51/200099951.db2.gz	CXJZYJHOZIFLSC-RISCZKNCSA-N	0	0	307.350	2.161	10	5		DEBERN
COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H](C)[C@@H](OC)C1	ZINC000190410365	200530984	/nfs/dbraw/zinc/53/09/84/200530984.db2.gz	MYQZZUNUUULLRI-HZMBPMFUSA-N	0	0	323.349	2.492	10	5		DEBERN
C[C@H]1[C@@H](C(F)(F)F)CCN1c1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000359887112	291272101	/nfs/dbraw/zinc/27/21/01/291272101.db2.gz	OIYQMOWECGJWHL-CBAPKCEASA-N	0	0	317.267	2.471	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)n1	ZINC000611616907	361645827	/nfs/dbraw/zinc/64/58/27/361645827.db2.gz	UUYCADYZVNVQGJ-FXAINCCUSA-N	0	0	304.350	2.028	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ncn(C)n1	ZINC000275382167	212300435	/nfs/dbraw/zinc/30/04/35/212300435.db2.gz	AGXFKVVPRHPKDJ-RJCSOLBVSA-N	0	0	315.333	2.004	10	5		DEBERN
Cc1n[nH]c2cc(NC(=O)CCn3cc([N+](=O)[O-])cn3)ccc12	ZINC000091825950	193112887	/nfs/dbraw/zinc/11/28/87/193112887.db2.gz	VMAMRFVORBCDRP-UHFFFAOYSA-N	0	0	314.305	2.005	10	5		DEBERN
COc1cc(C(=O)N[C@@H]2CC[C@@H](OC)C2)c([N+](=O)[O-])cc1F	ZINC000451110997	242613127	/nfs/dbraw/zinc/61/31/27/242613127.db2.gz	RFHXNFKMSYQLEE-RKDXNWHRSA-N	0	0	312.297	2.040	10	5		DEBERN
C[NH2+][C@@]1(C(=O)[O-])CC[C@H](Oc2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000093834456	193314266	/nfs/dbraw/zinc/31/42/66/193314266.db2.gz	OOKVTIFRVFZICF-ZANVPECISA-N	0	0	314.725	2.222	10	5		DEBERN
COc1cc(N)ccc1SCCn1c(C)ncc1[N+](=O)[O-]	ZINC000094268984	193355332	/nfs/dbraw/zinc/35/53/32/193355332.db2.gz	ATJAMUSNLNUXRY-UHFFFAOYSA-N	0	0	308.363	2.483	10	5		DEBERN
Cc1cc(N)c([N+](=O)[O-])cc1S(=O)(=O)NC1(C)CCCC1	ZINC000094780698	193397884	/nfs/dbraw/zinc/39/78/84/193397884.db2.gz	JWXLJYVECHLIQH-UHFFFAOYSA-N	0	0	313.379	2.096	10	5		DEBERN
CC[C@@H](C)N(CC)S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1C	ZINC000094780507	193397888	/nfs/dbraw/zinc/39/78/88/193397888.db2.gz	XXPDBKYGUIOJRA-SNVBAGLBSA-N	0	0	315.395	2.295	10	5		DEBERN
Cc1cc(N)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)C(C)C	ZINC000094780545	193398045	/nfs/dbraw/zinc/39/80/45/193398045.db2.gz	RWRFZMNJZSTMNF-JTQLQIEISA-N	0	0	315.395	2.150	10	5		DEBERN
CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCCC1CC1	ZINC000531062498	284504904	/nfs/dbraw/zinc/50/49/04/284504904.db2.gz	RNVXMIQBYVHOBX-GFCCVEGCSA-N	0	0	323.397	2.134	10	5		DEBERN
COC[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1ccc(F)cc1	ZINC000531207930	284526996	/nfs/dbraw/zinc/52/69/96/284526996.db2.gz	NHYLFKJDGMEZIQ-CYBMUJFWSA-N	0	0	321.308	2.190	10	5		DEBERN
O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@]2(CCOC2)C1	ZINC000155026853	284599102	/nfs/dbraw/zinc/59/91/02/284599102.db2.gz	SKCPXGAHOBTHJM-INIZCTEOSA-N	0	0	315.329	2.329	10	5		DEBERN
CC[C@H](C)NC(=O)[C@@H](C)n1cc(Br)c([N+](=O)[O-])n1	ZINC000040517347	183089406	/nfs/dbraw/zinc/08/94/06/183089406.db2.gz	CHZZLIFLGIVLSQ-NKWVEPMBSA-N	0	0	319.159	2.030	10	5		DEBERN
CCN(c1ccccc1)c1[nH]cnc(=NN(C)C)c1[N+](=O)[O-]	ZINC000040573353	183104358	/nfs/dbraw/zinc/10/43/58/183104358.db2.gz	CSNCTQKYBAXQRX-UHFFFAOYSA-N	0	0	302.338	2.431	10	5		DEBERN
CC(C)CN(CC(C)C)c1[nH]cnc(=NN(C)C)c1[N+](=O)[O-]	ZINC000040613880	183108574	/nfs/dbraw/zinc/10/85/74/183108574.db2.gz	SRJOLIYZBCYIOO-UHFFFAOYSA-N	0	0	310.402	2.392	10	5		DEBERN
COc1ccc(C[S@@](=O)c2ccc([N+](=O)[O-])cc2)cc1N	ZINC000040970196	183152841	/nfs/dbraw/zinc/15/28/41/183152841.db2.gz	BRSGYRBYIMJMSY-NRFANRHFSA-N	0	0	306.343	2.493	10	5		DEBERN
CC(=O)c1csc(NC(=O)c2cc([N+](=O)[O-])cnc2C)n1	ZINC000041907338	183224651	/nfs/dbraw/zinc/22/46/51/183224651.db2.gz	FUWOSIHTYMLCDJ-UHFFFAOYSA-N	0	0	306.303	2.210	10	5		DEBERN
Cc1c(CS(=O)(=O)c2ccccc2N)cccc1[N+](=O)[O-]	ZINC000042192257	183239833	/nfs/dbraw/zinc/23/98/33/183239833.db2.gz	LEYWWDCCCSJRFQ-UHFFFAOYSA-N	0	0	306.343	2.459	10	5		DEBERN
Cc1cc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)c(N)c([N+](=O)[O-])c1	ZINC000178169984	291715055	/nfs/dbraw/zinc/71/50/55/291715055.db2.gz	GJMCCKNPKSIMHT-GXTWGEPZSA-N	0	0	319.361	2.269	10	5		DEBERN
CC1(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CCOCC1	ZINC000159492722	197358065	/nfs/dbraw/zinc/35/80/65/197358065.db2.gz	LAQZPGJVMYERPI-UHFFFAOYSA-N	0	0	300.261	2.172	10	5		DEBERN
Cc1cnn(C[C@H]2CN(Cc3ccccc3[N+](=O)[O-])CCO2)c1	ZINC000105891730	194158613	/nfs/dbraw/zinc/15/86/13/194158613.db2.gz	UAHOEPZETIVOSC-OAHLLOKOSA-N	0	0	316.361	2.001	10	5		DEBERN
C[C@@H]1CN(C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])C[C@H](C)O1	ZINC000050037209	183768552	/nfs/dbraw/zinc/76/85/52/183768552.db2.gz	XPLVSYUOIBITQR-OCAPTIKFSA-N	0	0	300.261	2.122	10	5		DEBERN
CNc1ccccc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000050650237	183794368	/nfs/dbraw/zinc/79/43/68/183794368.db2.gz	NVYMBJDQWUMLQB-UHFFFAOYSA-N	0	0	307.331	2.437	10	5		DEBERN
CCNc1ccc([N+](=O)[O-])c(S(=O)(=O)N(CC)C2CC2)c1	ZINC000050651807	183794544	/nfs/dbraw/zinc/79/45/44/183794544.db2.gz	CEFIRERFRREQJX-UHFFFAOYSA-N	0	0	313.379	2.200	10	5		DEBERN
CCCNc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CCC	ZINC000050652597	183794703	/nfs/dbraw/zinc/79/47/03/183794703.db2.gz	RRJZKALHYDIMTB-UHFFFAOYSA-N	0	0	315.395	2.447	10	5		DEBERN
CCCN(CC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1NC	ZINC000050651581	183794732	/nfs/dbraw/zinc/79/47/32/183794732.db2.gz	QZEBWYFHSFVOFC-UHFFFAOYSA-N	0	0	301.368	2.057	10	5		DEBERN
CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1CCCC1	ZINC000050653334	183795169	/nfs/dbraw/zinc/79/51/69/183795169.db2.gz	FUJQSWLIPMIBAM-UHFFFAOYSA-N	0	0	313.379	2.105	10	5		DEBERN
CC[C@H](C)[C@@H](C)NS(=O)(=O)c1ccc(NC)c([N+](=O)[O-])c1	ZINC000050671130	183797375	/nfs/dbraw/zinc/79/73/75/183797375.db2.gz	NQSCOYOTPCCYFS-VHSXEESVSA-N	0	0	315.395	2.349	10	5		DEBERN
CNc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)CCC(C)C)c1	ZINC000050676935	183800010	/nfs/dbraw/zinc/80/00/10/183800010.db2.gz	CUIFOHXUYFNQOH-UHFFFAOYSA-N	0	0	315.395	2.303	10	5		DEBERN
CCNc1c(Cl)cc(C(=O)N[C@@H](C)COC)cc1[N+](=O)[O-]	ZINC000050719636	183802004	/nfs/dbraw/zinc/80/20/04/183802004.db2.gz	VXDCHLFBSTZSSD-QMMMGPOBSA-N	0	0	315.757	2.445	10	5		DEBERN
O=[N+]([O-])c1ccccc1-c1noc(C[C@@H](O)C(F)(F)F)n1	ZINC000109491893	194268864	/nfs/dbraw/zinc/26/88/64/194268864.db2.gz	CTEQWZKBQNVVAN-MRVPVSSYSA-N	0	0	303.196	2.111	10	5		DEBERN
CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CCN1C	ZINC000110732711	194355175	/nfs/dbraw/zinc/35/51/75/194355175.db2.gz	YDJWTDRGAMNQEW-SNVBAGLBSA-N	0	0	311.769	2.414	10	5		DEBERN
O=C(c1ccc2c(c1)OCO2)n1cnc2cc([N+](=O)[O-])ccc21	ZINC000058901183	184130722	/nfs/dbraw/zinc/13/07/22/184130722.db2.gz	MHTYBQHOLYQPFG-UHFFFAOYSA-N	0	0	311.253	2.362	10	5		DEBERN
COc1ccc(C(=O)n2nnc3cc(C)ccc32)cc1[N+](=O)[O-]	ZINC000058902175	184130975	/nfs/dbraw/zinc/13/09/75/184130975.db2.gz	WETIDEGJYUEISZ-UHFFFAOYSA-N	0	0	312.285	2.345	10	5		DEBERN
CNc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCC(C)C	ZINC000062098038	184205839	/nfs/dbraw/zinc/20/58/39/184205839.db2.gz	RTYKNQGGSNDPLV-UHFFFAOYSA-N	0	0	315.395	2.351	10	5		DEBERN
CNc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCC1(C)C	ZINC000063074917	184269210	/nfs/dbraw/zinc/26/92/10/184269210.db2.gz	UDDIPLSLWCBYDZ-UHFFFAOYSA-N	0	0	313.379	2.200	10	5		DEBERN
C[C@@H](C[C@@](C)([NH3+])C(=O)[O-])Oc1ccc([N+](=O)[O-])cc1Cl	ZINC000068651030	184496350	/nfs/dbraw/zinc/49/63/50/184496350.db2.gz	NOUDJLLXQCYWCM-JVXZTZIISA-N	0	0	302.714	2.208	10	5		DEBERN
C[C@H](C[C@](C)([NH3+])C(=O)[O-])Oc1ccc([N+](=O)[O-])c(Cl)c1	ZINC000068658186	184496746	/nfs/dbraw/zinc/49/67/46/184496746.db2.gz	GAQJOZAXSSWNLG-KRTXAFLBSA-N	0	0	302.714	2.208	10	5		DEBERN
O=[N+]([O-])c1c2cccnc2ccc1N1CCO[C@@]2(CCOC2)C1	ZINC000274369537	285080267	/nfs/dbraw/zinc/08/02/67/285080267.db2.gz	GDFYIPJNLKAXLU-INIZCTEOSA-N	0	0	315.329	2.139	10	5		DEBERN
O=[N+]([O-])c1ccc(OC[C@H](O)C(F)(F)F)c2ncccc12	ZINC000158362650	197266019	/nfs/dbraw/zinc/26/60/19/197266019.db2.gz	MGMGLAAGSCKUOI-JTQLQIEISA-N	0	0	302.208	2.445	10	5		DEBERN
CO[C@@H]1CC[C@H]2OCCN(Cc3ccccc3[N+](=O)[O-])[C@@H]2C1	ZINC000158318797	197261875	/nfs/dbraw/zinc/26/18/75/197261875.db2.gz	SBZUPQSLATZNRV-FVQBIDKESA-N	0	0	306.362	2.363	10	5		DEBERN
CC(=O)NCCNc1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000158098477	197243406	/nfs/dbraw/zinc/24/34/06/197243406.db2.gz	QEOIKUGOIYSHEJ-UHFFFAOYSA-N	0	0	320.118	2.044	10	5		DEBERN
C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)s2)C1	ZINC000157418988	197185879	/nfs/dbraw/zinc/18/58/79/197185879.db2.gz	KXDIJYAFRPNVHF-LURJTMIESA-N	0	0	310.784	2.340	10	5		DEBERN
CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H](C)CO	ZINC000156837325	197143775	/nfs/dbraw/zinc/14/37/75/197143775.db2.gz	LWTCKPFWHSPVKY-VHSXEESVSA-N	0	0	312.391	2.454	10	5		DEBERN
COCCc1cc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)n(C)n1	ZINC000156640663	197129035	/nfs/dbraw/zinc/12/90/35/197129035.db2.gz	MDLLNFZIANAIRG-UHFFFAOYSA-N	0	0	318.333	2.078	10	5		DEBERN
O=C(NOCC(F)(F)F)c1cc([N+](=O)[O-])c(F)cc1F	ZINC000156158876	197090181	/nfs/dbraw/zinc/09/01/81/197090181.db2.gz	MIYPDKAGOSHUOE-UHFFFAOYSA-N	0	0	300.139	2.097	10	5		DEBERN
CSc1ccc(C(=O)N2[C@H](C)CN(C)C[C@H]2C)cc1[N+](=O)[O-]	ZINC000155106904	197022764	/nfs/dbraw/zinc/02/27/64/197022764.db2.gz	QLXUKOYQMVSJTD-GHMZBOCLSA-N	0	0	323.418	2.481	10	5		DEBERN
CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@@H](C)C1	ZINC000248485567	285368944	/nfs/dbraw/zinc/36/89/44/285368944.db2.gz	FBFZHKXJBMVGMR-WCQYABFASA-N	0	0	321.377	2.103	10	5		DEBERN
Cc1csc([C@H]2CCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)n1	ZINC000121980512	195386080	/nfs/dbraw/zinc/38/60/80/195386080.db2.gz	DXEZKKHLKARYOL-VIFPVBQESA-N	0	0	321.362	2.103	10	5		DEBERN
Cc1cc(=O)[nH]cc1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1	ZINC000122498233	195459470	/nfs/dbraw/zinc/45/94/70/195459470.db2.gz	MLIHHBJLQDJWIX-SNVBAGLBSA-N	0	0	301.302	2.083	10	5		DEBERN
C/C(=C\c1nc(CS(C)(=O)=O)no1)c1ccc([N+](=O)[O-])cc1	ZINC000355505827	533415797	/nfs/dbraw/zinc/41/57/97/533415797.db2.gz	HZZGVILLRPCNCQ-VQHVLOKHSA-N	0	0	323.330	2.083	10	5		DEBERN
COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](C)[C@@H](OC)C2)c1	ZINC000302532143	292017640	/nfs/dbraw/zinc/01/76/40/292017640.db2.gz	FPDYCZZMUVNTOU-YGRLFVJLSA-N	0	0	308.334	2.243	10	5		DEBERN
Nc1ccc(NC[C@H]2CCC3(CCOCC3)[C@H]2O)c([N+](=O)[O-])c1	ZINC000376390656	133292900	/nfs/dbraw/zinc/29/29/00/133292900.db2.gz	FLCUMADJNPQYIJ-ABAIWWIYSA-N	0	0	321.377	2.157	10	5		DEBERN
COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000190702924	145046778	/nfs/dbraw/zinc/04/67/78/145046778.db2.gz	XXXIWKYBTMGHTI-XBFCOCLRSA-N	0	0	318.329	2.009	10	5		DEBERN
CO[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC[C@@H]1C	ZINC000251536002	145194707	/nfs/dbraw/zinc/19/47/07/145194707.db2.gz	DKOVPGGRHSCLLK-NHYWBVRUSA-N	0	0	321.377	2.199	10	5		DEBERN
Cc1ccc([C@H](C)NC(=O)NC[C@H](CO)C2CC2)cc1[N+](=O)[O-]	ZINC000358903727	147227908	/nfs/dbraw/zinc/22/79/08/147227908.db2.gz	POSHVFOQOIVHND-SMDDNHRTSA-N	0	0	321.377	2.282	10	5		DEBERN
COc1ccc(NC(=O)Cc2cccc(O)c2)cc1[N+](=O)[O-]	ZINC000360739700	147376199	/nfs/dbraw/zinc/37/61/99/147376199.db2.gz	RBCSLKGVYREFPN-UHFFFAOYSA-N	0	0	302.286	2.490	10	5		DEBERN
CC[C@H]1C[C@@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CCO1	ZINC000408163885	148570389	/nfs/dbraw/zinc/57/03/89/148570389.db2.gz	FHFJRRKDUWVCKT-FZMZJTMJSA-N	0	0	319.361	2.080	10	5		DEBERN
COc1ccc(S(=O)(=O)N[C@H](C)C(C)(C)C)c([N+](=O)[O-])c1	ZINC000112363644	401741870	/nfs/dbraw/zinc/74/18/70/401741870.db2.gz	LWAGTRAHDVAUHH-SECBINFHSA-N	0	0	316.379	2.316	10	5		DEBERN
Cc1nn(C)c(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)c1[N+](=O)[O-]	ZINC000110440581	401690246	/nfs/dbraw/zinc/69/02/46/401690246.db2.gz	JCWWQWSLCUWUNI-STQMWFEESA-N	0	0	314.345	2.170	10	5		DEBERN
CCn1nc(C)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000013699974	401803411	/nfs/dbraw/zinc/80/34/11/401803411.db2.gz	YVVBEKSYDIKIBH-UHFFFAOYSA-N	0	0	304.306	2.381	10	5		DEBERN
COc1cccc(CNC(=O)c2cccc(C)c2[N+](=O)[O-])n1	ZINC000128336243	401772203	/nfs/dbraw/zinc/77/22/03/401772203.db2.gz	QDZKDHRPBHLTID-UHFFFAOYSA-N	0	0	301.302	2.237	10	5		DEBERN
COc1cccc(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)n1	ZINC000128639357	401785999	/nfs/dbraw/zinc/78/59/99/401785999.db2.gz	QFAFJZZOWUEESD-UHFFFAOYSA-N	0	0	301.302	2.237	10	5		DEBERN
C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2cnccn2)CC1	ZINC000027633990	401847104	/nfs/dbraw/zinc/84/71/04/401847104.db2.gz	PYFCEISSOIMRNC-CYBMUJFWSA-N	0	0	313.361	2.268	10	5		DEBERN
CN(C)c1ncccc1N(C)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000079721566	401880146	/nfs/dbraw/zinc/88/01/46/401880146.db2.gz	LEVGQCRPEPBWPA-UHFFFAOYSA-N	0	0	314.345	2.261	10	5		DEBERN
C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1nnc2n1CCCC2	ZINC000135325763	401935992	/nfs/dbraw/zinc/93/59/92/401935992.db2.gz	BHTIOQVJMFNDSX-QMMMGPOBSA-N	0	0	321.362	2.075	10	5		DEBERN
Cc1ccc([C@H](C)OC(=O)[C@@H](C)n2cncn2)cc1[N+](=O)[O-]	ZINC000084809135	401910280	/nfs/dbraw/zinc/91/02/80/401910280.db2.gz	NDOKNTCGKCZEMU-MNOVXSKESA-N	0	0	304.306	2.360	10	5		DEBERN
C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)[C@H](C)CO	ZINC000135764807	401953004	/nfs/dbraw/zinc/95/30/04/401953004.db2.gz	MNRPRXGOTQNHQN-RNFRBKRXSA-N	0	0	304.144	2.181	10	5		DEBERN
COC(=O)c1ccc([N+](=O)[O-])c(NCCc2nccs2)c1	ZINC000136301064	401965568	/nfs/dbraw/zinc/96/55/68/401965568.db2.gz	XSUYQXDOCWSVRT-UHFFFAOYSA-N	0	0	307.331	2.493	10	5		DEBERN
O=C(NCC1CC1)[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1	ZINC000054175460	402063791	/nfs/dbraw/zinc/06/37/91/402063791.db2.gz	GHKKZRBKUYJHRK-CYBMUJFWSA-N	0	0	323.418	2.395	10	5		DEBERN
Cc1nn(C)c(C(=O)N[C@@H](C)c2ccccc2C)c1[N+](=O)[O-]	ZINC000098094831	402136640	/nfs/dbraw/zinc/13/66/40/402136640.db2.gz	QROXBDXVEGVKNK-JTQLQIEISA-N	0	0	302.334	2.436	10	5		DEBERN
O=C1[C@H]2CC=CC[C@@H]2C(=O)N1Cc1c(F)cccc1[N+](=O)[O-]	ZINC000103462749	402189141	/nfs/dbraw/zinc/18/91/41/402189141.db2.gz	RQGMQEAMWMCAIP-UWVGGRQHSA-N	0	0	304.277	2.185	10	5		DEBERN
Cc1cc(NC(=O)N[C@H]2CCC[C@H](C(N)=O)C2)ccc1[N+](=O)[O-]	ZINC000153738163	402166796	/nfs/dbraw/zinc/16/67/96/402166796.db2.gz	YUNNCYAZBPFFNP-QWRGUYRKSA-N	0	0	320.349	2.069	10	5		DEBERN
O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@](O)(C(F)(F)F)C1	ZINC000153822930	402172295	/nfs/dbraw/zinc/17/22/95/402172295.db2.gz	WYQUJPXEKLHABJ-VIFPVBQESA-N	0	0	311.647	2.147	10	5		DEBERN
Cc1noc([C@H]2COCCN2Cc2cccc([N+](=O)[O-])c2C)n1	ZINC000185086197	402323382	/nfs/dbraw/zinc/32/33/82/402323382.db2.gz	GORWUVKURLUIGJ-CQSZACIVSA-N	0	0	318.333	2.168	10	5		DEBERN
Cc1cccc(NC(=O)Cn2c(C)c([N+](=O)[O-])ccc2=O)c1	ZINC000071526403	402275653	/nfs/dbraw/zinc/27/56/53/402275653.db2.gz	QXYDZVVFNLUQIC-UHFFFAOYSA-N	0	0	301.302	2.012	10	5		DEBERN
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccnn1C	ZINC000184678148	402290907	/nfs/dbraw/zinc/29/09/07/402290907.db2.gz	LDRJWVAUVVQXOA-CYBMUJFWSA-N	0	0	316.361	2.213	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CC(=O)NC(C)(C)C	ZINC000162967669	402438072	/nfs/dbraw/zinc/43/80/72/402438072.db2.gz	MGOBLTADDIFRAI-UHFFFAOYSA-N	0	0	322.365	2.282	10	5		DEBERN
O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCc2n[nH]cc21	ZINC000177310962	402390027	/nfs/dbraw/zinc/39/00/27/402390027.db2.gz	ITANCIHLNXOBJP-LBPRGKRZSA-N	0	0	300.318	2.054	10	5		DEBERN
Cc1c(C(=O)N[C@H]2Cc3ccccc3[C@@H]2O)cccc1[N+](=O)[O-]	ZINC000178342382	402487070	/nfs/dbraw/zinc/48/70/70/402487070.db2.gz	HQQWXRZTTFOQJG-HOCLYGCPSA-N	0	0	312.325	2.291	10	5		DEBERN
CN(CC(=O)NC[C@@H]1CCC(C)(C)O1)c1ccccc1[N+](=O)[O-]	ZINC000187394815	402498481	/nfs/dbraw/zinc/49/84/81/402498481.db2.gz	RFBVTVZIMLMDEC-LBPRGKRZSA-N	0	0	321.377	2.105	10	5		DEBERN
CO[C@H]1C[C@@H](c2nc(C)no2)N(c2ccc(F)cc2[N+](=O)[O-])C1	ZINC000190088718	402575130	/nfs/dbraw/zinc/57/51/30/402575130.db2.gz	CYTWLAUFIZNTNC-GWCFXTLKSA-N	0	0	322.296	2.392	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C)[C@H]1CO	ZINC000189443851	402537790	/nfs/dbraw/zinc/53/77/90/402537790.db2.gz	YJIKODSCXWKUBZ-QBAKGOIMSA-N	0	0	304.346	2.227	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)N1CCCCC1=O	ZINC000190301073	402591340	/nfs/dbraw/zinc/59/13/40/402591340.db2.gz	PXYIVMDTZOIIAQ-LBPRGKRZSA-N	0	0	319.361	2.034	10	5		DEBERN
COC(=O)[C@H](C)N(C(=O)c1ccc([N+](=O)[O-])cc1C)C1CCC1	ZINC000190432943	402601086	/nfs/dbraw/zinc/60/10/86/402601086.db2.gz	NRWHJTXRZUDAJR-NSHDSACASA-N	0	0	320.345	2.459	10	5		DEBERN
CCc1n[nH]c(C(=O)N(C)Cc2ccc(F)cc2)c1[N+](=O)[O-]	ZINC000171674984	402608188	/nfs/dbraw/zinc/60/81/88/402608188.db2.gz	XSVHMVADQNILPH-UHFFFAOYSA-N	0	0	306.297	2.292	10	5		DEBERN
COC(=O)c1ccc(F)c(Cn2cc([N+](=O)[O-])cc(C)c2=O)c1	ZINC000180638910	402621831	/nfs/dbraw/zinc/62/18/31/402621831.db2.gz	YQYKOSGKSZWGIV-UHFFFAOYSA-N	0	0	320.276	2.039	10	5		DEBERN
O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCCC[C@@H]1c1nc[nH]n1	ZINC000182098283	402666926	/nfs/dbraw/zinc/66/69/26/402666926.db2.gz	DPKIBTBKAPCBMP-GFCCVEGCSA-N	0	0	319.296	2.219	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC1(C)OCCCO1	ZINC000191547201	402678393	/nfs/dbraw/zinc/67/83/93/402678393.db2.gz	OUMLOXRYZDIDHW-UHFFFAOYSA-N	0	0	322.361	2.403	10	5		DEBERN
CC[C@@H](NC(=O)CSCC(C)=O)c1cccc([N+](=O)[O-])c1	ZINC000192680832	402743777	/nfs/dbraw/zinc/74/37/77/402743777.db2.gz	GGISASUNBSCDQU-CYBMUJFWSA-N	0	0	310.375	2.484	10	5		DEBERN
C[C@@H](O)C1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000193274553	402769486	/nfs/dbraw/zinc/76/94/86/402769486.db2.gz	JGNZSUSOTVWUBS-SNVBAGLBSA-N	0	0	309.322	2.096	10	5		DEBERN
O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1COc2ccccc21	ZINC000194861694	402819191	/nfs/dbraw/zinc/81/91/91/402819191.db2.gz	OXKRCQFGKVYCKB-AWEZNQCLSA-N	0	0	314.297	2.224	10	5		DEBERN
Cc1nccn1C[C@H]1CCCN1c1ncc(C)cc1[N+](=O)[O-]	ZINC000267267262	403030786	/nfs/dbraw/zinc/03/07/86/403030786.db2.gz	YNZNDIJYTZJQPN-CYBMUJFWSA-N	0	0	301.350	2.472	10	5		DEBERN
O=[N+]([O-])c1c2cccnc2ccc1N1CCO[C@]2(CCOC2)C1	ZINC000274369539	403048976	/nfs/dbraw/zinc/04/89/76/403048976.db2.gz	GDFYIPJNLKAXLU-MRXNPFEDSA-N	0	0	315.329	2.139	10	5		DEBERN
COc1cc(NCC(=O)N2CCCCC2)c([N+](=O)[O-])cc1F	ZINC000268158543	403055782	/nfs/dbraw/zinc/05/57/82/403055782.db2.gz	MSTMOGQNURLQKQ-UHFFFAOYSA-N	0	0	311.313	2.167	10	5		DEBERN
Cn1cc([C@]2(C)CN(c3ccc([N+](=O)[O-])cc3)CCO2)cn1	ZINC000268386168	403078538	/nfs/dbraw/zinc/07/85/38/403078538.db2.gz	KUVIIENNLUFYOQ-HNNXBMFYSA-N	0	0	302.334	2.080	10	5		DEBERN
CC1(C)SC[C@@H]1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-]	ZINC000283634681	403211456	/nfs/dbraw/zinc/21/14/56/403211456.db2.gz	PPHLAPOPAZGCII-JTQLQIEISA-N	0	0	302.302	2.497	10	5		DEBERN
NC(=O)c1cc([N+](=O)[O-])cnc1NCCCc1cccc(F)c1	ZINC000301193572	403599891	/nfs/dbraw/zinc/59/98/91/403599891.db2.gz	JCGKEXQIFDLBCI-UHFFFAOYSA-N	0	0	318.308	2.273	10	5		DEBERN
Cc1n[nH]c(C)c1CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-]	ZINC000301269861	403609118	/nfs/dbraw/zinc/60/91/18/403609118.db2.gz	XJHOUQBALZPQCN-UHFFFAOYSA-N	0	0	314.305	2.196	10	5		DEBERN
CCC(CC)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1	ZINC000301382295	403622815	/nfs/dbraw/zinc/62/28/15/403622815.db2.gz	SSVWEPJRNGOLOV-LLVKDONJSA-N	0	0	306.366	2.351	10	5		DEBERN
CCN(CC)C(=O)[C@H]1CCCN1c1ccc([N+](=O)[O-])c(C)n1	ZINC000301615629	403654496	/nfs/dbraw/zinc/65/44/96/403654496.db2.gz	BPDZQAAYBXGBNN-CYBMUJFWSA-N	0	0	306.366	2.135	10	5		DEBERN
CNC(=O)[C@@H](Nc1ccc2cc([N+](=O)[O-])ccc2n1)C(C)C	ZINC000301799755	403681929	/nfs/dbraw/zinc/68/19/29/403681929.db2.gz	VGZYGCAYYUBZIV-AWEZNQCLSA-N	0	0	302.334	2.326	10	5		DEBERN
C/C=C/C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OCC	ZINC000361534099	405119552	/nfs/dbraw/zinc/11/95/52/405119552.db2.gz	URKKUXRIEGTURO-LQPUYASZSA-N	0	0	306.318	2.223	10	5		DEBERN
Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@]2(CCCOC2)C1	ZINC000408149481	405125320	/nfs/dbraw/zinc/12/53/20/405125320.db2.gz	IPAZBPHVLVDJET-INIZCTEOSA-N	0	0	319.361	2.210	10	5		DEBERN
C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1cc([N+](=O)[O-])cn1C	ZINC000535640076	406225330	/nfs/dbraw/zinc/22/53/30/406225330.db2.gz	DBEREVZIRHWUEW-NSHDSACASA-N	0	0	317.345	2.342	10	5		DEBERN
NC(=O)c1cc(Br)c(OC(F)F)c([N+](=O)[O-])c1	ZINC000575682966	406817932	/nfs/dbraw/zinc/81/79/32/406817932.db2.gz	ICRMTWVJLXHEMR-UHFFFAOYSA-N	0	0	311.038	2.058	10	5		DEBERN
CCOC(=O)Cc1c(Br)cc([N+](=O)[O-])cc1OC	ZINC000575699765	406820589	/nfs/dbraw/zinc/82/05/89/406820589.db2.gz	MTWLQJZFUXLSRU-UHFFFAOYSA-N	0	0	318.123	2.472	10	5		DEBERN
CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)CC1	ZINC000129853923	196080492	/nfs/dbraw/zinc/08/04/92/196080492.db2.gz	UQKKYCBJRNRSBY-UHFFFAOYSA-N	0	0	302.327	2.155	10	5		DEBERN
Cc1noc(C)c1C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1C	ZINC000130530911	196088757	/nfs/dbraw/zinc/08/87/57/196088757.db2.gz	NGIJBHVTWABTCV-MRVPVSSYSA-N	0	0	318.333	2.264	10	5		DEBERN
COC(=O)[C@@H]1CCN1c1cc([N+](=O)[O-])ccc1Br	ZINC000130977212	196128826	/nfs/dbraw/zinc/12/88/26/196128826.db2.gz	OGLQNBQADJJKDL-VIFPVBQESA-N	0	0	315.123	2.109	10	5		DEBERN
Cc1c(Br)c(N[C@@H](C)[C@H](C)CO)ncc1[N+](=O)[O-]	ZINC000131664934	196188619	/nfs/dbraw/zinc/18/86/19/196188619.db2.gz	CWABYOXUCYBUFW-SVRRBLITSA-N	0	0	318.171	2.490	10	5		DEBERN
C[C@H]1C[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000131753793	196196540	/nfs/dbraw/zinc/19/65/40/196196540.db2.gz	FZCYPACFXHJOTA-YUMQZZPRSA-N	0	0	304.755	2.183	10	5		DEBERN
C[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(N)c2)C1	ZINC000131915247	196210206	/nfs/dbraw/zinc/21/02/06/196210206.db2.gz	BRFGLUWYHBFFDM-ZJUUUORDSA-N	0	0	313.379	2.034	10	5		DEBERN
C[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(N)c2)C1	ZINC000131915680	196210313	/nfs/dbraw/zinc/21/03/13/196210313.db2.gz	BRFGLUWYHBFFDM-NXEZZACHSA-N	0	0	313.379	2.034	10	5		DEBERN
CCC[C@H](CC)NS(=O)(=O)c1ccc([N+](=O)[O-])c(NC)c1	ZINC000132029934	196220546	/nfs/dbraw/zinc/22/05/46/196220546.db2.gz	ZZAGPCBPMMISLG-JTQLQIEISA-N	0	0	315.395	2.494	10	5		DEBERN
CCS(=O)(=O)C[C@H](C)Nc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000132200657	196235604	/nfs/dbraw/zinc/23/56/04/196235604.db2.gz	ULNRNDNVCKUHKM-QMMMGPOBSA-N	0	0	306.771	2.483	10	5		DEBERN
[NH3+]Cc1nc(C(=O)[N-]c2c(F)cc(F)cc2[N+](=O)[O-])cs1	ZINC000132532304	196263671	/nfs/dbraw/zinc/26/36/71/196263671.db2.gz	PGOZNDDCRGOCOL-UHFFFAOYSA-N	0	0	314.273	2.041	10	5		DEBERN
C[C@@]1(O)CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)C1	ZINC000133760104	196334466	/nfs/dbraw/zinc/33/44/66/196334466.db2.gz	BDJIGUQQJDOKST-OAHLLOKOSA-N	0	0	303.318	2.063	10	5		DEBERN
CC[C@@H](CSC)NC(=O)c1cc(N)c(F)cc1[N+](=O)[O-]	ZINC000134195876	196369577	/nfs/dbraw/zinc/36/95/77/196369577.db2.gz	WLYXQMNFFROJSM-ZETCQYMHSA-N	0	0	301.343	2.188	10	5		DEBERN
C[C@H]1CN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)CCS1	ZINC000137153132	196567121	/nfs/dbraw/zinc/56/71/21/196567121.db2.gz	WQJNPLPAPZTANJ-ZETCQYMHSA-N	0	0	302.302	2.451	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cnc2ccccc2n1	ZINC000176083544	224810141	/nfs/dbraw/zinc/81/01/41/224810141.db2.gz	XCTISIADMSZJBO-UHFFFAOYSA-N	0	0	309.285	2.494	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCc3ccccc3C2)n1	ZINC000191446797	225109996	/nfs/dbraw/zinc/10/99/96/225109996.db2.gz	PNMDUMODBBXARJ-UHFFFAOYSA-N	0	0	300.318	2.010	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1cscn1	ZINC000195283502	424881464	/nfs/dbraw/zinc/88/14/64/424881464.db2.gz	FLONOBSZUAQBFP-UHFFFAOYSA-N	0	0	322.346	2.059	10	5		DEBERN
CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1	ZINC000195322429	424882880	/nfs/dbraw/zinc/88/28/80/424882880.db2.gz	NRVSKWHYYFHMAI-NSHDSACASA-N	0	0	321.402	2.237	10	5		DEBERN
Cc1cc(COCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)on1	ZINC000193291831	267756148	/nfs/dbraw/zinc/75/61/48/267756148.db2.gz	HUGGMXRCYWKQOA-UHFFFAOYSA-N	0	0	305.290	2.071	10	5		DEBERN
C[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[C@@H](C)[C@@H](C)O1	ZINC000408103625	274367872	/nfs/dbraw/zinc/36/78/72/274367872.db2.gz	BMWBYTRBNOWSEJ-KXUCPTDWSA-N	0	0	318.333	2.246	10	5		DEBERN
CC(C)c1n[nH]c(C(=O)N2CCO[C@H]3CCCC[C@H]32)c1[N+](=O)[O-]	ZINC000269341496	276040907	/nfs/dbraw/zinc/04/09/07/276040907.db2.gz	CZTXFVJEFUAIMZ-MNOVXSKESA-N	0	0	322.365	2.225	10	5		DEBERN
Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCS(=O)(=O)[C@@H](C)C1	ZINC000302830743	278744959	/nfs/dbraw/zinc/74/49/59/278744959.db2.gz	QEFVIOKPUNGWMR-VIFPVBQESA-N	0	0	318.782	2.180	10	5		DEBERN
Cc1ccc2c(c1)[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@@H](C)C2	ZINC000181105067	281116245	/nfs/dbraw/zinc/11/62/45/281116245.db2.gz	SDTOTLIMCKLFKV-TVQRCGJNSA-N	0	0	300.318	2.290	10	5		DEBERN
Cc1sc(C(=O)N2CCCc3c(cnn3C)C2)cc1[N+](=O)[O-]	ZINC000408465242	294070055	/nfs/dbraw/zinc/07/00/55/294070055.db2.gz	GVYPNWJGPVKGSA-UHFFFAOYSA-N	0	0	320.374	2.287	10	5		DEBERN
Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc(C)c1[N+](=O)[O-]	ZINC000177713691	302674939	/nfs/dbraw/zinc/67/49/39/302674939.db2.gz	UQRFIPUKEFERKH-LBPRGKRZSA-N	0	0	315.333	2.068	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1c1cn[nH]c1	ZINC000113896724	302705113	/nfs/dbraw/zinc/70/51/13/302705113.db2.gz	RDIKAQKALGNXRA-AWEZNQCLSA-N	0	0	315.333	2.389	10	5		DEBERN
COc1cc(C(=O)NCCOCC2CCC2)cc([N+](=O)[O-])c1C	ZINC000565692003	325820750	/nfs/dbraw/zinc/82/07/50/325820750.db2.gz	WVUXUIILSPPARD-UHFFFAOYSA-N	0	0	322.361	2.458	10	5		DEBERN
COC[C@@H](C)NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F	ZINC000583408576	332391951	/nfs/dbraw/zinc/39/19/51/332391951.db2.gz	CXFXASNZHWORPJ-SSDOTTSWSA-N	0	0	306.240	2.378	10	5		DEBERN
CO[C@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[C@@H]1C	ZINC000187450263	332968904	/nfs/dbraw/zinc/96/89/04/332968904.db2.gz	VRDUOFRJIZDHRT-FZMZJTMJSA-N	0	0	307.350	2.161	10	5		DEBERN
COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@H]2CCCC[C@H]2O)c1	ZINC000302163775	534244330	/nfs/dbraw/zinc/24/43/30/534244330.db2.gz	KKDWNVRSFJPXBE-IUODEOHRSA-N	0	0	322.361	2.369	10	5		DEBERN
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000249300235	519803176	/nfs/dbraw/zinc/80/31/76/519803176.db2.gz	GPIBPUANBNMESE-XBFCOCLRSA-N	0	0	308.382	2.368	10	5		DEBERN
CCOc1ccc(C(=O)N[C@@H](C)C(=O)OC(C)C)cc1[N+](=O)[O-]	ZINC000456727118	535707813	/nfs/dbraw/zinc/70/78/13/535707813.db2.gz	IVZQWFYDBGCCFN-JTQLQIEISA-N	0	0	324.333	2.063	10	5		DEBERN
COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cccc([N+](=O)[O-])c1	ZINC000248873993	536552622	/nfs/dbraw/zinc/55/26/22/536552622.db2.gz	VNHQSSZZUKLUMT-CFVMTHIKSA-N	0	0	304.346	2.368	10	5		DEBERN
COC[C@@H](C)CNc1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-]	ZINC000255215674	623944602	/nfs/dbraw/zinc/94/46/02/623944602.db2.gz	OVFZZDRPBFJUGT-XOIDGJRKSA-N	0	0	308.334	2.475	10	5		DEBERN
CC[N@H+](CC(=O)[O-])C1CC(Nc2cccc(F)c2[N+](=O)[O-])C1	ZINC000263548528	624821611	/nfs/dbraw/zinc/82/16/11/624821611.db2.gz	IYJPAQCHFDWLBS-UHFFFAOYSA-N	0	0	311.313	2.083	10	5		DEBERN
C[C@@H]1CN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C[C@@H](C)O1	ZINC000050697671	624933403	/nfs/dbraw/zinc/93/34/03/624933403.db2.gz	YYDXXQLSXDUIQO-HTQZYQBOSA-N	0	0	313.741	2.080	10	5		DEBERN
O=C(Cn1ccc([N+](=O)[O-])n1)O[C@H]1CCCc2ccccc21	ZINC000066522244	625122718	/nfs/dbraw/zinc/12/27/18/625122718.db2.gz	URBBCUWZNDVMSZ-ZDUSSCGKSA-N	0	0	301.302	2.412	10	5		DEBERN
CCOc1ccc(C(=O)OCc2nonc2C)cc1[N+](=O)[O-]	ZINC000735797286	633535877	/nfs/dbraw/zinc/53/58/77/633535877.db2.gz	PKPSTCJZQSVYIJ-UHFFFAOYSA-N	0	0	307.262	2.042	10	5		DEBERN
Cc1cc(C(=O)Nc2ccc3nccn3c2)c(N)c([N+](=O)[O-])c1	ZINC000738540273	637467662	/nfs/dbraw/zinc/46/76/62/637467662.db2.gz	HUBBTULAIBEOCR-UHFFFAOYSA-N	0	0	311.301	2.385	10	5		DEBERN
C/C(=C/C(=O)N1CC(n2ccnc2)C1)c1ccc([N+](=O)[O-])cc1	ZINC000752391750	639180859	/nfs/dbraw/zinc/18/08/59/639180859.db2.gz	FHMKZPDIRPJRLG-WQLSENKSSA-N	0	0	312.329	2.278	10	5		DEBERN
C/C(=C/C(=O)N(C)C[C@@H](O)C1CC1)c1ccc([N+](=O)[O-])cc1	ZINC000752524200	639193462	/nfs/dbraw/zinc/19/34/62/639193462.db2.gz	KUORJFLSWBCBCC-ZHUYAKLQSA-N	0	0	304.346	2.227	10	5		DEBERN
CC(C)[C@H](OC(=O)c1cc(F)ccc1[N+](=O)[O-])C(=O)N(C)C	ZINC000729709214	640829976	/nfs/dbraw/zinc/82/99/76/640829976.db2.gz	QYFQTABXDIDOCB-LBPRGKRZSA-N	0	0	312.297	2.004	10	5		DEBERN
COC(=O)c1ccoc1C(=O)OCc1c(F)cccc1[N+](=O)[O-]	ZINC000800267664	645249544	/nfs/dbraw/zinc/24/95/44/645249544.db2.gz	NXMNWXGNGCWJOI-UHFFFAOYSA-N	0	0	323.232	2.471	10	5		DEBERN
C[C@H]1CC[C@H](O)CN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1	ZINC000911188188	645644741	/nfs/dbraw/zinc/64/47/41/645644741.db2.gz	PKYIDDQKKLMNFZ-CBAPKCEASA-N	0	0	316.716	2.373	10	5		DEBERN
C[C@@H]1CN(Cn2nccc2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1	ZINC000172925960	646755262	/nfs/dbraw/zinc/75/52/62/646755262.db2.gz	XXUPANUMZBYCDT-BXUZGUMPSA-N	0	0	320.324	2.350	10	5		DEBERN
C[C@@H](OCC1CC1)C(=O)OCCN(C)c1ccc([N+](=O)[O-])cc1	ZINC000068348696	648449188	/nfs/dbraw/zinc/44/91/88/648449188.db2.gz	COIHKFXJJUVIEB-GFCCVEGCSA-N	0	0	322.361	2.389	10	5		DEBERN
CC(=O)N1CSC[C@@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1	ZINC000349863935	685321114	/nfs/dbraw/zinc/32/11/14/685321114.db2.gz	PCGAOBNOLVPWCC-LLVKDONJSA-N	0	0	320.330	2.239	10	5		DEBERN
C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)N1CCCCC1	ZINC000076941087	683947787	/nfs/dbraw/zinc/94/77/87/683947787.db2.gz	ZMGHCTZPKQINKB-GFCCVEGCSA-N	0	0	303.362	2.358	10	5		DEBERN
Cc1ccc(OC(=O)CCOC[C@@H]2CCCO2)c([N+](=O)[O-])c1	ZINC000078796444	683966976	/nfs/dbraw/zinc/96/69/76/683966976.db2.gz	VFCIIWOPFMJUTI-LBPRGKRZSA-N	0	0	309.318	2.394	10	5		DEBERN
CCOc1cccc(COC(=O)c2cc([N+](=O)[O-])cnc2C)n1	ZINC000128889690	684174303	/nfs/dbraw/zinc/17/43/03/684174303.db2.gz	CUVMXDUYVRTQBR-UHFFFAOYSA-N	0	0	317.301	2.449	10	5		DEBERN
CCOC(=O)CN(C)C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1	ZINC000588439723	777195287	/nfs/dbraw/zinc/19/52/87/777195287.db2.gz	ZUCFYWAAGMELFA-LUAWRHEFSA-N	0	0	306.318	2.020	10	5		DEBERN
COC(=O)[C@H](OC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1)C1CC1	ZINC000588457845	777221594	/nfs/dbraw/zinc/22/15/94/777221594.db2.gz	PWSZUCQETFJRDQ-CFYYFVFUSA-N	0	0	319.313	2.493	10	5		DEBERN
Cc1cnc(COC(=O)/C=C\c2ccncn2)c(C)c1[N+](=O)[O-]	ZINC000588570268	777455773	/nfs/dbraw/zinc/45/57/73/777455773.db2.gz	ILALXIJPLUQUMM-ARJAWSKDSA-N	0	0	314.301	2.153	10	5		DEBERN
O=[N+]([O-])c1ccc(NCC[C@@H]2CCCS2(=O)=O)c(F)c1	ZINC000714331833	792308985	/nfs/dbraw/zinc/30/89/85/792308985.db2.gz	UUTIEUWXAPSHNB-JTQLQIEISA-N	0	0	302.327	2.113	10	5		DEBERN
O=C(Cn1ccnc1[N+](=O)[O-])c1ccc(Br)cc1	ZINC000013207477	1078120991	/nfs/dbraw/zinc/12/09/91/1078120991.db2.gz	NMRPYPKWRYNBNU-UHFFFAOYSA-N	0	0	310.107	2.437	10	5		DEBERN
C[C@H]1CCOCCN1C(=O)c1cc(F)c(F)cc1[N+](=O)[O-]	ZINC000375005487	290604367	/nfs/dbraw/zinc/60/43/67/290604367.db2.gz	RNHKGGPKYMYJMC-QMMMGPOBSA-N	0	0	300.261	2.124	10	5		DEBERN
O=[N+]([O-])c1cccnc1NCCc1nc(-c2ccccc2)n[nH]1	ZINC000162141676	197547235	/nfs/dbraw/zinc/54/72/35/197547235.db2.gz	UBNFNCVBCQHGQH-UHFFFAOYSA-N	0	0	310.317	2.430	10	5		DEBERN
Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(C)cc([N+](=O)[O-])c1	ZINC000177723853	282099655	/nfs/dbraw/zinc/09/96/55/282099655.db2.gz	JZWZJQPHYRHPQZ-ZDUSSCGKSA-N	0	0	315.333	2.068	10	5		DEBERN
CCCOc1cc(N[C@H](C)CS(C)(=O)=O)ccc1[N+](=O)[O-]	ZINC000081904374	192336148	/nfs/dbraw/zinc/33/61/48/192336148.db2.gz	HIGQAYUJNWLWEL-SNVBAGLBSA-N	0	0	316.379	2.229	10	5		DEBERN
C[C@@H](CNc1c(F)cc([N+](=O)[O-])c2cccnc21)[S@](C)=O	ZINC000165452669	197675871	/nfs/dbraw/zinc/67/58/71/197675871.db2.gz	HKXIUOHCFBHJLJ-HXNGOWOSSA-N	0	0	311.338	2.461	10	5		DEBERN
O=C(c1ccnc(Cl)c1[N+](=O)[O-])N1CCCC[C@H]1CCO	ZINC000088798390	185266086	/nfs/dbraw/zinc/26/60/86/185266086.db2.gz	XPBJEVSUEKGJFI-VIFPVBQESA-N	0	0	313.741	2.020	10	5		DEBERN
Cc1ccc(CNC(=O)c2ccnc(Cl)c2[N+](=O)[O-])cn1	ZINC000088806173	185266215	/nfs/dbraw/zinc/26/62/15/185266215.db2.gz	OBQGJCPEPAEPBK-UHFFFAOYSA-N	0	0	306.709	2.277	10	5		DEBERN
CN(C[C@H]1CCCOC1)C(=O)c1ccnc(Cl)c1[N+](=O)[O-]	ZINC000088806277	185266238	/nfs/dbraw/zinc/26/62/38/185266238.db2.gz	JJNBBAHVTAQYSN-SECBINFHSA-N	0	0	313.741	2.142	10	5		DEBERN
CC[C@@H](NC(=O)c1nn(CC)cc1[N+](=O)[O-])c1ccncc1	ZINC000191632630	529679458	/nfs/dbraw/zinc/67/94/58/529679458.db2.gz	WXIIFVUMTCJQFT-LLVKDONJSA-N	0	0	303.322	2.087	10	5		DEBERN
C[C@@H]1CO[C@H](CO)CN1c1cc(Cl)c(Cl)cc1[N+](=O)[O-]	ZINC000167775002	197714244	/nfs/dbraw/zinc/71/42/44/197714244.db2.gz	LUGJZKPZTBZQMO-SFYZADRCSA-N	0	0	321.160	2.488	10	5		DEBERN
O=C(N[C@H]1CC[C@H](O)CC1)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000245547529	282396050	/nfs/dbraw/zinc/39/60/50/282396050.db2.gz	NLMFHVFZAXYECU-HOMQSWHASA-N	0	0	303.318	2.109	10	5		DEBERN
COC(=O)c1cnc(NC[C@H](C)c2ccncc2)c([N+](=O)[O-])c1	ZINC000616374495	362839774	/nfs/dbraw/zinc/83/97/74/362839774.db2.gz	ABRILPRUHAYJGS-JTQLQIEISA-N	0	0	316.317	2.387	10	5		DEBERN
O=[N+]([O-])c1ncccc1N1CCO[C@@H](COc2ccccc2)C1	ZINC000616393255	362845222	/nfs/dbraw/zinc/84/52/22/362845222.db2.gz	RWOCTLRJFRFJCU-CQSZACIVSA-N	0	0	315.329	2.274	10	5		DEBERN
CCCCCN(C)S(=O)(=O)c1cccc(NC)c1[N+](=O)[O-]	ZINC000126910495	185902999	/nfs/dbraw/zinc/90/29/99/185902999.db2.gz	MNXHYNIEXZEDFI-UHFFFAOYSA-N	0	0	315.395	2.447	10	5		DEBERN
Cn1c(CO)cnc1Sc1ncc(Cl)cc1[N+](=O)[O-]	ZINC000149395305	186049842	/nfs/dbraw/zinc/04/98/42/186049842.db2.gz	RSRUVQYGDQNEFO-UHFFFAOYSA-N	0	0	300.727	2.020	10	5		DEBERN
CCNc1ncnc(N(C)Cc2scnc2C)c1[N+](=O)[O-]	ZINC000155746930	186109089	/nfs/dbraw/zinc/10/90/89/186109089.db2.gz	ZBNCTNIWXRKVBA-UHFFFAOYSA-N	0	0	308.367	2.218	10	5		DEBERN
CCO[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C12CCC2	ZINC000152553243	186084379	/nfs/dbraw/zinc/08/43/79/186084379.db2.gz	YMRSRJSFDWCEKE-KGLIPLIRSA-N	0	0	319.361	2.376	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(Cc2nccn2Cc2ccccc2)c1=O	ZINC000155935350	186124246	/nfs/dbraw/zinc/12/42/46/186124246.db2.gz	ZQBQMLBJEHBIOA-UHFFFAOYSA-N	0	0	324.340	2.358	10	5		DEBERN
CC[C@H](NC(=O)NOC[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1	ZINC000188043486	186248718	/nfs/dbraw/zinc/24/87/18/186248718.db2.gz	NOHWTWBWTYQKIY-FZMZJTMJSA-N	0	0	323.349	2.313	10	5		DEBERN
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2C[C@H]2c2cccs2)c1	ZINC000074777520	191359131	/nfs/dbraw/zinc/35/91/31/191359131.db2.gz	LEZBBMJOLBUXMH-NEPJUHHUSA-N	0	0	324.383	2.491	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1CN1CC[C@](O)(C(F)(F)F)C1	ZINC000183362895	356169366	/nfs/dbraw/zinc/16/93/66/356169366.db2.gz	SHBNSLQKHIKFJW-GFCCVEGCSA-N	0	0	304.268	2.402	10	5		DEBERN
CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H](Oc2cccnc2)C1	ZINC000192690309	356221481	/nfs/dbraw/zinc/22/14/81/356221481.db2.gz	BGIHBTCFKSQYEW-CYBMUJFWSA-N	0	0	317.349	2.172	10	5		DEBERN
C[C@H](C(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F	ZINC000185175463	356203503	/nfs/dbraw/zinc/20/35/03/356203503.db2.gz	UFHZMMMSZPXGEA-TUAOUCFPSA-N	0	0	323.368	2.388	10	5		DEBERN
CO[C@@](C)(CO)CNc1c(Br)cccc1[N+](=O)[O-]	ZINC000596291588	358661577	/nfs/dbraw/zinc/66/15/77/358661577.db2.gz	KKWHNBLYGRVQNY-LLVKDONJSA-N	0	0	319.155	2.167	10	5		DEBERN
Cc1sc(C(=O)N(C)[C@H](CO)CC(C)C)cc1[N+](=O)[O-]	ZINC000187129138	200066174	/nfs/dbraw/zinc/06/61/74/200066174.db2.gz	GSCGKXXROXYFCW-JTQLQIEISA-N	0	0	300.380	2.444	10	5		DEBERN
COc1ccc(C(=O)N2CC[C@@H](C)[C@H](OC)C2)cc1[N+](=O)[O-]	ZINC000187969067	200184680	/nfs/dbraw/zinc/18/46/80/200184680.db2.gz	HDQVRULPTJPIFK-QMTHXVAHSA-N	0	0	308.334	2.100	10	5		DEBERN
CN(CC1(CO)CC1)c1ccc([N+](=O)[O-])c(OC(F)F)c1	ZINC000188466834	200251702	/nfs/dbraw/zinc/25/17/02/200251702.db2.gz	NXJRNNSVYKCOGX-UHFFFAOYSA-N	0	0	302.277	2.405	10	5		DEBERN
CC(=O)CCCc1cn(CCc2ccc([N+](=O)[O-])cc2)nn1	ZINC000603197794	360742546	/nfs/dbraw/zinc/74/25/46/360742546.db2.gz	RNWCCCYXONARSC-UHFFFAOYSA-N	0	0	302.334	2.341	10	5		DEBERN
COc1ccc([N+](=O)[O-])c(N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c1	ZINC000610282963	361379894	/nfs/dbraw/zinc/37/98/94/361379894.db2.gz	SWTPZVHPQANGGW-RBZYPMLTSA-N	0	0	305.334	2.025	10	5		DEBERN
C[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccncc1	ZINC000610516837	361415188	/nfs/dbraw/zinc/41/51/88/361415188.db2.gz	DKBQKANELJDUJL-SNVBAGLBSA-N	0	0	300.318	2.304	10	5		DEBERN
C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccncc1	ZINC000610526398	361416882	/nfs/dbraw/zinc/41/68/82/361416882.db2.gz	PUUOVSZPAZITFA-VIFPVBQESA-N	0	0	318.308	2.245	10	5		DEBERN
C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccncc1	ZINC000610526460	361417136	/nfs/dbraw/zinc/41/71/36/361417136.db2.gz	SKEVBGHCQZGYIA-GFCCVEGCSA-N	0	0	315.329	2.289	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN(C2CC2)C(=O)C1	ZINC000611516236	361619227	/nfs/dbraw/zinc/61/92/27/361619227.db2.gz	BYGQYFWNMBUKDX-GFCCVEGCSA-N	0	0	303.362	2.271	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H](Cn3ccnn3)C2)n1	ZINC000611617456	361645335	/nfs/dbraw/zinc/64/53/35/361645335.db2.gz	WSUHVTKXTKSLDW-CYBMUJFWSA-N	0	0	316.365	2.115	10	5		DEBERN
O=[N+]([O-])c1cnc(N2CCCC[C@H]2CO)c(Br)c1	ZINC000093434487	193251334	/nfs/dbraw/zinc/25/13/34/193251334.db2.gz	CSCWZXYJXMAPHH-QMMMGPOBSA-N	0	0	316.155	2.104	10	5		DEBERN
CCCC1(O)CN(c2ncc([N+](=O)[O-])cc2Br)C1	ZINC000093434507	193251823	/nfs/dbraw/zinc/25/18/23/193251823.db2.gz	ACHCESXQNNOEIF-UHFFFAOYSA-N	0	0	316.155	2.104	10	5		DEBERN
COC(=O)[C@@H](C)C[S@@](=O)Cc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000093633833	193277571	/nfs/dbraw/zinc/27/75/71/193277571.db2.gz	QVINNYLFGVONOR-FHZGZLOMSA-N	0	0	319.766	2.306	10	5		DEBERN
CN[C@@]1(C(=O)OC)CC[C@@H](Sc2ccc([N+](=O)[O-])cc2)C1	ZINC000093848696	193317182	/nfs/dbraw/zinc/31/71/82/193317182.db2.gz	BSBINFLGJYIWSV-OCCSQVGLSA-N	0	0	310.375	2.371	10	5		DEBERN
Cc1noc(CCNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)n1	ZINC000094069162	193343212	/nfs/dbraw/zinc/34/32/12/193343212.db2.gz	RBUHDEPGTNDOQR-UHFFFAOYSA-N	0	0	318.333	2.184	10	5		DEBERN
CC(C)N(CCCO)C(=O)c1c(F)ccc([N+](=O)[O-])c1F	ZINC000094190721	193347667	/nfs/dbraw/zinc/34/76/67/193347667.db2.gz	FZRRTQJMWWCSOG-UHFFFAOYSA-N	0	0	302.277	2.106	10	5		DEBERN
CC(C)C[C@@H](CO)NC(=O)c1c(F)ccc([N+](=O)[O-])c1F	ZINC000094190723	193348155	/nfs/dbraw/zinc/34/81/55/193348155.db2.gz	XFKMJJYXMPLZNT-QMMMGPOBSA-N	0	0	302.277	2.010	10	5		DEBERN
O=[N+]([O-])c1nn([C@@H]2CCOC3(CCOCC3)C2)cc1Cl	ZINC000094409244	193367607	/nfs/dbraw/zinc/36/76/07/193367607.db2.gz	YNWBRTIHVTURPQ-SECBINFHSA-N	0	0	301.730	2.345	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)c1ccc2c(c1)OCO2	ZINC000160124175	197387523	/nfs/dbraw/zinc/38/75/23/197387523.db2.gz	UDPSMCJWKLSOHW-UHFFFAOYSA-N	0	0	315.285	2.304	10	5		DEBERN
CC[C@H](CO)NC(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1	ZINC000037976346	182948140	/nfs/dbraw/zinc/94/81/40/182948140.db2.gz	DJXZBWFLFJISIS-SSDOTTSWSA-N	0	0	307.133	2.402	10	5		DEBERN
CCOc1cc(Cn2cnc(C)c(C)c2=O)ccc1[N+](=O)[O-]	ZINC000492058863	248994924	/nfs/dbraw/zinc/99/49/24/248994924.db2.gz	FYIYEOJRKVFZDO-UHFFFAOYSA-N	0	0	303.318	2.215	10	5		DEBERN
CC(C)(C)Nc1ncnc(-n2nnc3ccccc32)c1[N+](=O)[O-]	ZINC000040581945	183105288	/nfs/dbraw/zinc/10/52/88/183105288.db2.gz	JVCUNPZFFBYTLC-UHFFFAOYSA-N	0	0	313.321	2.329	10	5		DEBERN
CNc1ncnc(Nc2ccc(OC)cc2OC)c1[N+](=O)[O-]	ZINC000040595638	183106470	/nfs/dbraw/zinc/10/64/70/183106470.db2.gz	XPIMKMOYHGMZBB-UHFFFAOYSA-N	0	0	305.294	2.187	10	5		DEBERN
CCOc1ncnc(NCc2ccc(OC)cc2)c1[N+](=O)[O-]	ZINC000040619323	183109657	/nfs/dbraw/zinc/10/96/57/183109657.db2.gz	JNTDYBXEBRUDDK-UHFFFAOYSA-N	0	0	304.306	2.404	10	5		DEBERN
CN(C)c1ccc(C(=O)NCc2nccs2)cc1[N+](=O)[O-]	ZINC000041538915	183200530	/nfs/dbraw/zinc/20/05/30/183200530.db2.gz	CCCAWUDGEMKDLT-UHFFFAOYSA-N	0	0	306.347	2.047	10	5		DEBERN
COC(=O)[C@@H](C)NCc1ccc(Br)c([N+](=O)[O-])c1	ZINC000042307483	183252401	/nfs/dbraw/zinc/25/24/01/183252401.db2.gz	CIOVFLOXLYBIBB-SSDOTTSWSA-N	0	0	317.139	2.008	10	5		DEBERN
O=C(CCCCO)Nc1cc([N+](=O)[O-])ccc1Br	ZINC000159528310	197360690	/nfs/dbraw/zinc/36/06/90/197360690.db2.gz	UPBPTAIRNQJKEL-UHFFFAOYSA-N	0	0	317.139	2.458	10	5		DEBERN
CCCNc1nnc(Cn2cc(Cl)c([N+](=O)[O-])n2)s1	ZINC000159519963	197360281	/nfs/dbraw/zinc/36/02/81/197360281.db2.gz	LFUDHTKZYHUFCQ-UHFFFAOYSA-N	0	0	302.747	2.166	10	5		DEBERN
C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(N)cc1[N+](=O)[O-]	ZINC000050641019	183793791	/nfs/dbraw/zinc/79/37/91/183793791.db2.gz	CXRSDPJULFSXJA-KOLCDFICSA-N	0	0	313.379	2.034	10	5		DEBERN
C[C@@H](NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)[C@H]1CCCO1	ZINC000050702491	183800825	/nfs/dbraw/zinc/80/08/25/183800825.db2.gz	JWCJBACCAQJEAS-RDDDGLTNSA-N	0	0	313.741	2.128	10	5		DEBERN
CCOC(CCn1cc(Br)c([N+](=O)[O-])n1)OCC	ZINC000110786511	194358102	/nfs/dbraw/zinc/35/81/02/194358102.db2.gz	SMBJURMEUHCPAP-UHFFFAOYSA-N	0	0	322.159	2.343	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2nccs2)C1	ZINC000110884731	194366804	/nfs/dbraw/zinc/36/68/04/194366804.db2.gz	FGJKFBUSHRLBBM-GFCCVEGCSA-N	0	0	319.342	2.265	10	5		DEBERN
Nc1c(C(=O)N[C@@H]2COc3ccccc32)cc(F)cc1[N+](=O)[O-]	ZINC000058970480	184133057	/nfs/dbraw/zinc/13/30/57/184133057.db2.gz	FAGNBGLEWOPFSC-LLVKDONJSA-N	0	0	317.276	2.180	10	5		DEBERN
CNc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)CC2CCC2)c1	ZINC000061487170	184171463	/nfs/dbraw/zinc/17/14/63/184171463.db2.gz	SUPHFYASTWCCPU-UHFFFAOYSA-N	0	0	313.379	2.057	10	5		DEBERN
O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1ccc(F)c([N+](=O)[O-])c1	ZINC000005179661	285011677	/nfs/dbraw/zinc/01/16/77/285011677.db2.gz	VHCDEFNOVSKTOY-XXHBBNRNSA-N	0	0	304.277	2.269	10	5		DEBERN
Cc1nc(N2CCN(CC3CCCC3)C(=O)C2)ccc1[N+](=O)[O-]	ZINC000158347001	197264457	/nfs/dbraw/zinc/26/44/57/197264457.db2.gz	OANRLLNKHAVQDM-UHFFFAOYSA-N	0	0	318.377	2.137	10	5		DEBERN
CO[C@@H]1CC[C@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1	ZINC000158005975	197235214	/nfs/dbraw/zinc/23/52/14/197235214.db2.gz	XLWDARDVDMVLPJ-BZUAXINKSA-N	0	0	306.362	2.363	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1NC(=O)c1nnc(Cl)s1	ZINC000157856782	197220855	/nfs/dbraw/zinc/22/08/55/197220855.db2.gz	OTEMWKNFHBLSFG-UHFFFAOYSA-N	0	0	314.710	2.361	10	5		DEBERN
Cc1cc([N+](=O)[O-])c(Cl)cc1N[C@H]1CCC(=O)N(C)C1=O	ZINC000157700969	197209003	/nfs/dbraw/zinc/20/90/03/197209003.db2.gz	TWCIANPATAFIGZ-VIFPVBQESA-N	0	0	311.725	2.116	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CC(C)C	ZINC000157498278	197192152	/nfs/dbraw/zinc/19/21/52/197192152.db2.gz	RGMGQBRPYNBJQZ-SNVBAGLBSA-N	0	0	316.379	2.316	10	5		DEBERN
CCNc1nnc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)s1	ZINC000157288677	197177466	/nfs/dbraw/zinc/17/74/66/197177466.db2.gz	CXQHQJOXWDDTFU-UHFFFAOYSA-N	0	0	307.335	2.439	10	5		DEBERN
CCCNc1cc(N[C@@H](C)CS(C)(=O)=O)cc([N+](=O)[O-])c1	ZINC000156233363	197097211	/nfs/dbraw/zinc/09/72/11/197097211.db2.gz	KYXAQDYXDWEYDM-JTQLQIEISA-N	0	0	315.395	2.262	10	5		DEBERN
CCC(C)(C)[C@@H]1CCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1	ZINC000122088132	195399597	/nfs/dbraw/zinc/39/95/97/195399597.db2.gz	UQPIOPSEWYSTHG-AWEZNQCLSA-N	0	0	321.377	2.184	10	5		DEBERN
C[C@@H](CO)[C@H](C)Nc1ncc(Br)cc1[N+](=O)[O-]	ZINC000125654894	195773613	/nfs/dbraw/zinc/77/36/13/195773613.db2.gz	PWXRVAKIBYTPGU-BQBZGAKWSA-N	0	0	304.144	2.181	10	5		DEBERN
CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](CO)C1CC1	ZINC000359777052	133144108	/nfs/dbraw/zinc/14/41/08/133144108.db2.gz	DVLHCZAWSGGMSV-NSHDSACASA-N	0	0	324.402	2.455	10	5		DEBERN
C[C@H]1CCC[C@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000359943348	133154017	/nfs/dbraw/zinc/15/40/17/133154017.db2.gz	YYCPIWNREDFBJP-AAEUAGOBSA-N	0	0	312.391	2.450	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC23CCC3)c(F)c1	ZINC000360469931	133184310	/nfs/dbraw/zinc/18/43/10/133184310.db2.gz	YWXLWZUZIKTKPD-UHFFFAOYSA-N	0	0	300.311	2.051	10	5		DEBERN
Cc1nn(CCC(=O)N2CCCC23CCC3)c(C)c1[N+](=O)[O-]	ZINC000373069398	133376797	/nfs/dbraw/zinc/37/67/97/133376797.db2.gz	JOSFLSPWHHZGCH-UHFFFAOYSA-N	0	0	306.366	2.343	10	5		DEBERN
C[C@@H]1CCN(c2cc(CO)ccc2[N+](=O)[O-])C[C@H]1n1ccnc1	ZINC000302068603	296564246	/nfs/dbraw/zinc/56/42/46/296564246.db2.gz	VAGINPQEEJHXPS-MLGOLLRUSA-N	0	0	316.361	2.371	10	5		DEBERN
CNC(=O)[C@@H](NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)C(C)C	ZINC000184479416	144944422	/nfs/dbraw/zinc/94/44/22/144944422.db2.gz	YMDJISCHHIXICI-ZDUSSCGKSA-N	0	0	322.365	2.104	10	5		DEBERN
O=C1[C@@H](Nc2ncc([N+](=O)[O-])s2)CCCN1c1cccnc1	ZINC000192528110	145074170	/nfs/dbraw/zinc/07/41/70/145074170.db2.gz	SZZVLYLZAYJYCK-JTQLQIEISA-N	0	0	319.346	2.054	10	5		DEBERN
CNC(=O)c1ccccc1OCCOc1ccc([N+](=O)[O-])cc1	ZINC000192811593	145079423	/nfs/dbraw/zinc/07/94/23/145079423.db2.gz	DPLNSNDPBSJEMG-UHFFFAOYSA-N	0	0	316.313	2.412	10	5		DEBERN
COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000249322822	145181999	/nfs/dbraw/zinc/18/19/99/145181999.db2.gz	MHFUWOYXDMECDA-AXFHLTTASA-N	0	0	322.317	2.134	10	5		DEBERN
CCOc1ccc(C(=O)N[C@@H](C)[C@@H]2CCOC2)cc1[N+](=O)[O-]	ZINC000358688954	147182291	/nfs/dbraw/zinc/18/22/91/147182291.db2.gz	WSWMFKMRBLNXNI-CMPLNLGQSA-N	0	0	308.334	2.148	10	5		DEBERN
CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)CC(=O)OC	ZINC000360646717	147366084	/nfs/dbraw/zinc/36/60/84/147366084.db2.gz	LZYIFEJSLVXOGZ-ZDUSSCGKSA-N	0	0	322.361	2.185	10	5		DEBERN
O=[N+]([O-])c1cnc2ccc(N3CCC[C@H](OCC4CC4)C3)nn21	ZINC000372266500	148187236	/nfs/dbraw/zinc/18/72/36/148187236.db2.gz	GFIPFYJQLWIRNQ-LBPRGKRZSA-N	0	0	317.349	2.033	10	5		DEBERN
Cc1cc(N[C@H]2CCN(C)C2=O)c2cccc([N+](=O)[O-])c2n1	ZINC000127363070	401731259	/nfs/dbraw/zinc/73/12/59/401731259.db2.gz	MIXVFLBKVFMCDR-NSHDSACASA-N	0	0	300.318	2.094	10	5		DEBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@]2(CC=CCC2)C1	ZINC000114437027	401799116	/nfs/dbraw/zinc/79/91/16/401799116.db2.gz	VOAFQWLBGPZNIB-INIZCTEOSA-N	0	0	318.377	2.449	10	5		DEBERN
CCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)[C@@H](C)c1cccnc1	ZINC000115226862	401821638	/nfs/dbraw/zinc/82/16/38/401821638.db2.gz	VSYNIWRWEWUZAB-NSHDSACASA-N	0	0	317.349	2.104	10	5		DEBERN
Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H]1c1ccco1	ZINC000116042642	401840751	/nfs/dbraw/zinc/84/07/51/401840751.db2.gz	GBTBERCCIDWPJH-GFCCVEGCSA-N	0	0	318.333	2.447	10	5		DEBERN
Cc1c(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)cccc1[N+](=O)[O-]	ZINC000116113060	401842013	/nfs/dbraw/zinc/84/20/13/401842013.db2.gz	QRJLHKVAYZDLFL-GFCCVEGCSA-N	0	0	314.345	2.266	10	5		DEBERN
COCCCCS(=O)(=O)Oc1ccc(C)cc1[N+](=O)[O-]	ZINC000136102688	401960141	/nfs/dbraw/zinc/96/01/41/401960141.db2.gz	CEZBDXCGHYLZJG-UHFFFAOYSA-N	0	0	303.336	2.038	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2CCCC[C@@H]21	ZINC000046488202	401970058	/nfs/dbraw/zinc/97/00/58/401970058.db2.gz	MJEPYGSGOCGPAN-UONOGXRCSA-N	0	0	305.334	2.082	10	5		DEBERN
CC(=O)c1ccc(OCc2nnc(C3CC3)n2C)c([N+](=O)[O-])c1	ZINC000120903622	402006480	/nfs/dbraw/zinc/00/64/80/402006480.db2.gz	BJSHODDIKBVWIA-UHFFFAOYSA-N	0	0	316.317	2.382	10	5		DEBERN
CCc1cnc(CCNC(=O)Nc2ccncc2[N+](=O)[O-])s1	ZINC000124552721	402185573	/nfs/dbraw/zinc/18/55/73/402185573.db2.gz	OVBLRIXSUVSFRA-UHFFFAOYSA-N	0	0	321.362	2.373	10	5		DEBERN
COC[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F	ZINC000103379699	402186388	/nfs/dbraw/zinc/18/63/88/402186388.db2.gz	KCEJRGCRXCNIMH-SSDOTTSWSA-N	0	0	304.249	2.417	10	5		DEBERN
Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@H](C)c1ccccc1	ZINC000068224716	402187959	/nfs/dbraw/zinc/18/79/59/402187959.db2.gz	GFBYCICZUMZTOM-LLVKDONJSA-N	0	0	302.334	2.319	10	5		DEBERN
CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C3CC3)CC2)c1	ZINC000124826836	402199326	/nfs/dbraw/zinc/19/93/26/402199326.db2.gz	VGNCRMBENDJHCN-UHFFFAOYSA-N	0	0	321.402	2.237	10	5		DEBERN
O=C(NC[C@H]1CCC[C@@H](O)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000124017874	402159629	/nfs/dbraw/zinc/15/96/29/402159629.db2.gz	KLCHLYAZVWQFRL-CMPLNLGQSA-N	0	0	317.345	2.357	10	5		DEBERN
CN(c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(c2cccnn2)C1	ZINC000108946628	402265093	/nfs/dbraw/zinc/26/50/93/402265093.db2.gz	HGGIZJUOQDNQLT-OAHLLOKOSA-N	0	0	313.361	2.490	10	5		DEBERN
O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCN2CCCC[C@@H]2C1	ZINC000124959227	402205551	/nfs/dbraw/zinc/20/55/51/402205551.db2.gz	CSFFCPQAKUDCAI-GFCCVEGCSA-N	0	0	307.325	2.044	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCC[C@H]1CO	ZINC000176455998	402311051	/nfs/dbraw/zinc/31/10/51/402311051.db2.gz	GIXCKFFZYJBZGW-JQWIXIFHSA-N	0	0	323.349	2.276	10	5		DEBERN
O=[N+]([O-])c1nn(Cc2cncc(F)c2)cc1Br	ZINC000236265973	402366129	/nfs/dbraw/zinc/36/61/29/402366129.db2.gz	FFKUAYJDCVRZPS-UHFFFAOYSA-N	0	0	301.075	2.136	10	5		DEBERN
CCCCOC(=O)CNC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1	ZINC000186166017	402407182	/nfs/dbraw/zinc/40/71/82/402407182.db2.gz	NPYURTQRMKXPEC-ZRDIBKRKSA-N	0	0	320.345	2.458	10	5		DEBERN
CCN(CC(F)F)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000186442231	402431386	/nfs/dbraw/zinc/43/13/86/402431386.db2.gz	MRGVHWKTWZWCFT-UHFFFAOYSA-N	0	0	308.306	2.179	10	5		DEBERN
CC[C@@H](NC(=O)[C@H]1CC(=O)N(CC)C1)c1cccc([N+](=O)[O-])c1	ZINC000177786537	402436276	/nfs/dbraw/zinc/43/62/76/402436276.db2.gz	NMIVKQRFFGIPGI-GXTWGEPZSA-N	0	0	319.361	2.031	10	5		DEBERN
CC[C@H](NC(=O)[C@@H](C)n1cncn1)c1cccc([N+](=O)[O-])c1	ZINC000177786384	402436323	/nfs/dbraw/zinc/43/63/23/402436323.db2.gz	TYMVGFCCMMVBOL-MFKMUULPSA-N	0	0	303.322	2.015	10	5		DEBERN
COCCCOC1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C1	ZINC000162929179	402437092	/nfs/dbraw/zinc/43/70/92/402437092.db2.gz	HRCYQMGBNVMZQC-UHFFFAOYSA-N	0	0	323.349	2.172	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCCN(c3ncccn3)C2)n1	ZINC000178176039	402467727	/nfs/dbraw/zinc/46/77/27/402467727.db2.gz	BSQBQVIZYKLDLN-GFCCVEGCSA-N	0	0	314.349	2.169	10	5		DEBERN
Cc1cc(C(=O)N[C@H]2Cc3ccccc3[C@H]2O)ccc1[N+](=O)[O-]	ZINC000178322061	402484652	/nfs/dbraw/zinc/48/46/52/402484652.db2.gz	DKCCRUBROGIRGY-GOEBONIOSA-N	0	0	312.325	2.291	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC(C)(C)O1	ZINC000187336433	402495110	/nfs/dbraw/zinc/49/51/10/402495110.db2.gz	MBGLGNAJXKGESS-NSHDSACASA-N	0	0	308.334	2.291	10	5		DEBERN
CC(C)[C@H](C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1	ZINC000178929277	402556627	/nfs/dbraw/zinc/55/66/27/402556627.db2.gz	VQGPWVBWTNWJJA-NSHDSACASA-N	0	0	300.380	2.101	10	5		DEBERN
Cc1nc([C@@H]2CCCN2CCn2cc([N+](=O)[O-])cn2)cs1	ZINC000189800835	402559353	/nfs/dbraw/zinc/55/93/53/402559353.db2.gz	QKEVXIBYNUYXDK-ZDUSSCGKSA-N	0	0	307.379	2.393	10	5		DEBERN
Cc1nc([C@H]2CCCN2CCn2ccc([N+](=O)[O-])n2)cs1	ZINC000189793165	402559389	/nfs/dbraw/zinc/55/93/89/402559389.db2.gz	IFLAYIMLVGOBIJ-GFCCVEGCSA-N	0	0	307.379	2.393	10	5		DEBERN
COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1csc([N+](=O)[O-])c1	ZINC000189862713	402563259	/nfs/dbraw/zinc/56/32/59/402563259.db2.gz	FAMCDISKKQMPSZ-UISBYWKRSA-N	0	0	324.358	2.070	10	5		DEBERN
Cc1cc(CCNC(=O)c2ccc([N+](=O)[O-])o2)cc(C)c1O	ZINC000188687424	402523231	/nfs/dbraw/zinc/52/32/31/402523231.db2.gz	XMQVFGXQBCYTHS-UHFFFAOYSA-N	0	0	304.302	2.483	10	5		DEBERN
Cc1c(F)cc(S(=O)(=O)N2CC[C@@H](C)[C@H]2C)cc1[N+](=O)[O-]	ZINC000248466959	402592420	/nfs/dbraw/zinc/59/24/20/402592420.db2.gz	DYHQYQMNENZSEZ-PSASIEDQSA-N	0	0	316.354	2.461	10	5		DEBERN
Cc1c(NC(=O)C(=O)NC[C@@H](C)C(C)C)cccc1[N+](=O)[O-]	ZINC000172525720	402660716	/nfs/dbraw/zinc/66/07/16/402660716.db2.gz	VJSFFWXCGWKJAR-SNVBAGLBSA-N	0	0	307.350	2.250	10	5		DEBERN
O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC([NH+]2CCCC2)CC1	ZINC000181970317	402662134	/nfs/dbraw/zinc/66/21/34/402662134.db2.gz	RNURPEGEMJQDHW-UHFFFAOYSA-N	0	0	319.361	2.001	10	5		DEBERN
CCOc1ccc([N+](=O)[O-])cc1CNCC1(C)OCCCO1	ZINC000192253125	402719852	/nfs/dbraw/zinc/71/98/52/402719852.db2.gz	ZDIZENLIHQYQBA-UHFFFAOYSA-N	0	0	310.350	2.236	10	5		DEBERN
COC(=O)N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])c(C)c1)C(C)C	ZINC000182442480	402690132	/nfs/dbraw/zinc/69/01/32/402690132.db2.gz	QFONGNLEBQTSQM-GFCCVEGCSA-N	0	0	309.322	2.222	10	5		DEBERN
C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2cnn(C)c2)CC1	ZINC000174925743	402763696	/nfs/dbraw/zinc/76/36/96/402763696.db2.gz	NIRYVPPPLOEODH-CYBMUJFWSA-N	0	0	315.377	2.212	10	5		DEBERN
CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000174927108	402763924	/nfs/dbraw/zinc/76/39/24/402763924.db2.gz	IQCVWOXOOMRGMS-LLVKDONJSA-N	0	0	320.345	2.399	10	5		DEBERN
CSc1ccc(C(=O)N2CCC(=O)[C@@H](C)C2)cc1[N+](=O)[O-]	ZINC000193132779	402766005	/nfs/dbraw/zinc/76/60/05/402766005.db2.gz	DOZVXGVOFUSAHA-VIFPVBQESA-N	0	0	308.359	2.368	10	5		DEBERN
Cc1ccc(C(=O)N2CCN3CCCC[C@@H]3C2)cc1[N+](=O)[O-]	ZINC000195043717	402827887	/nfs/dbraw/zinc/82/78/87/402827887.db2.gz	WMFCYDPAGACKCF-CQSZACIVSA-N	0	0	303.362	2.214	10	5		DEBERN
Cc1ncsc1CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	ZINC000301198654	403599765	/nfs/dbraw/zinc/59/97/65/403599765.db2.gz	OMWJBSGLOANPOJ-UHFFFAOYSA-N	0	0	320.330	2.303	10	5		DEBERN
C[C@@H]1COCCN1C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F	ZINC000448382670	297122674	/nfs/dbraw/zinc/12/26/74/297122674.db2.gz	HDZJBUIKPNYBMS-MRVPVSSYSA-N	0	0	318.251	2.475	10	5		DEBERN
COC(=O)[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1	ZINC000301614568	403654323	/nfs/dbraw/zinc/65/43/23/403654323.db2.gz	AUMRYASALPTUSD-PELKAZGASA-N	0	0	314.725	2.015	10	5		DEBERN
CO[C@@H]1CCC[C@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1	ZINC000301766431	403675964	/nfs/dbraw/zinc/67/59/64/403675964.db2.gz	IBOQRPMWEGPCPO-VHSXEESVSA-N	0	0	321.333	2.295	10	5		DEBERN
CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCC[C@@H](OC)C1	ZINC000301774643	403676695	/nfs/dbraw/zinc/67/66/95/403676695.db2.gz	KTMNWIFTTRXFFM-CMPLNLGQSA-N	0	0	307.350	2.324	10	5		DEBERN
CNC(=O)c1ccc(N[C@@H]2CCC[C@H](OC)C2)c([N+](=O)[O-])c1	ZINC000301790255	403680025	/nfs/dbraw/zinc/68/00/25/403680025.db2.gz	QZQCCSSMEOAIGM-NEPJUHHUSA-N	0	0	307.350	2.324	10	5		DEBERN
CC(C)(C)[C@@H](O)CNC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000305053550	403811988	/nfs/dbraw/zinc/81/19/88/403811988.db2.gz	FQOREEQEAUBCJZ-NSHDSACASA-N	0	0	300.742	2.385	10	5		DEBERN
C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCO[C@@H](C2CC2)C1	ZINC000364424407	404386474	/nfs/dbraw/zinc/38/64/74/404386474.db2.gz	ZWFQPPLCGIGWJG-XHDPSFHLSA-N	0	0	319.361	2.033	10	5		DEBERN
O=[N+]([O-])c1cnc2ccccc2c1N1CCO[C@@]2(CCOC2)C1	ZINC000291855806	404552709	/nfs/dbraw/zinc/55/27/09/404552709.db2.gz	HPKHWRCOZBCSQB-INIZCTEOSA-N	0	0	315.329	2.139	10	5		DEBERN
O=C(NC1CCCCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1	ZINC000375731528	404735262	/nfs/dbraw/zinc/73/52/62/404735262.db2.gz	NZCVOBKZNYRDMZ-UHFFFAOYSA-N	0	0	321.381	2.471	10	5		DEBERN
CNc1c(C(=O)N[C@H](C)Cc2cc(C)n[nH]2)cccc1[N+](=O)[O-]	ZINC000360939085	404857607	/nfs/dbraw/zinc/85/76/07/404857607.db2.gz	XBRGQWVEFBKKEQ-SECBINFHSA-N	0	0	317.349	2.029	10	5		DEBERN
Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H]1[C@H]1CCCC[C@]1(C)O	ZINC000408034281	405094039	/nfs/dbraw/zinc/09/40/39/405094039.db2.gz	DNEWGUMLPUBGGK-JMSVASOKSA-N	0	0	308.382	2.238	10	5		DEBERN
CC[C@@H]1OCCC[C@@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1	ZINC000408383182	405192724	/nfs/dbraw/zinc/19/27/24/405192724.db2.gz	HBQNPGSEQVKUHS-ZFWWWQNUSA-N	0	0	319.361	2.080	10	5		DEBERN
COC[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(F)cc1	ZINC000437390089	405199074	/nfs/dbraw/zinc/19/90/74/405199074.db2.gz	VLTKFFBVWCOSAH-LBPRGKRZSA-N	0	0	307.281	2.180	10	5		DEBERN
C[C@H]1C[C@H]1CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1	ZINC000448700380	405438175	/nfs/dbraw/zinc/43/81/75/405438175.db2.gz	OYXGHSFGHXNTMG-ONGXEEELSA-N	0	0	300.318	2.371	10	5		DEBERN
NC(=O)c1c(Br)ccc([N+](=O)[O-])c1Br	ZINC000575693762	406818785	/nfs/dbraw/zinc/81/87/85/406818785.db2.gz	CFNLIQUAYAYDGO-UHFFFAOYSA-N	0	0	323.928	2.219	10	5		DEBERN
NC(=O)c1c(Br)cc([N+](=O)[O-])cc1Br	ZINC000575694339	406818850	/nfs/dbraw/zinc/81/88/50/406818850.db2.gz	IXJPLRXFVJMJLR-UHFFFAOYSA-N	0	0	323.928	2.219	10	5		DEBERN
CCOc1cc([N+](=O)[O-])cc(I)c1C=O	ZINC000575698265	406819541	/nfs/dbraw/zinc/81/95/41/406819541.db2.gz	IGIQNVVXADXOHY-UHFFFAOYSA-N	0	0	321.070	2.411	10	5		DEBERN
CCOC(=O)Cc1c(Br)c([N+](=O)[O-])ccc1OC	ZINC000575700869	406820635	/nfs/dbraw/zinc/82/06/35/406820635.db2.gz	ZUCDKBOKFITYQK-UHFFFAOYSA-N	0	0	318.123	2.472	10	5		DEBERN
COc1ccc([N+](=O)[O-])c(I)c1C=O	ZINC000575728560	406825989	/nfs/dbraw/zinc/82/59/89/406825989.db2.gz	UPYKOKSSASMVCX-UHFFFAOYSA-N	0	0	307.043	2.021	10	5		DEBERN
CCNc1cc(S(=O)(=O)N(C)CC(C)C)ccc1[N+](=O)[O-]	ZINC000131891147	196208265	/nfs/dbraw/zinc/20/82/65/196208265.db2.gz	ZVWNVLRDSYCKFZ-UHFFFAOYSA-N	0	0	315.395	2.303	10	5		DEBERN
C[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(N)c2)C1	ZINC000131915887	196209893	/nfs/dbraw/zinc/20/98/93/196209893.db2.gz	BRFGLUWYHBFFDM-VHSXEESVSA-N	0	0	313.379	2.034	10	5		DEBERN
CCS(=O)(=O)C[C@H](C)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000132218797	196236180	/nfs/dbraw/zinc/23/61/80/196236180.db2.gz	DGZQZLVGXJDPCJ-QMMMGPOBSA-N	0	0	306.771	2.483	10	5		DEBERN
CC(C)CC[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1	ZINC000132699228	196276625	/nfs/dbraw/zinc/27/66/25/196276625.db2.gz	TZHXWVPZURLMMI-JTQLQIEISA-N	0	0	315.395	2.280	10	5		DEBERN
CC(C)CC[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1	ZINC000132698989	196276867	/nfs/dbraw/zinc/27/68/67/196276867.db2.gz	TZHXWVPZURLMMI-SNVBAGLBSA-N	0	0	315.395	2.280	10	5		DEBERN
CNc1cc(S(=O)(=O)N[C@@H](C)CC2CC2)ccc1[N+](=O)[O-]	ZINC000132715036	196277848	/nfs/dbraw/zinc/27/78/48/196277848.db2.gz	PPNMRVCXDOILJI-VIFPVBQESA-N	0	0	313.379	2.103	10	5		DEBERN
CCCC(C)(C)NS(=O)(=O)c1cc(N)ccc1[N+](=O)[O-]	ZINC000133733433	196333228	/nfs/dbraw/zinc/33/32/28/196333228.db2.gz	FILLMRURBBMJKD-UHFFFAOYSA-N	0	0	301.368	2.034	10	5		DEBERN
C[C@](CO)(NC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1	ZINC000134396791	196386079	/nfs/dbraw/zinc/38/60/79/196386079.db2.gz	IFLLLTGMFKMVJJ-CQSZACIVSA-N	0	0	306.343	2.294	10	5		DEBERN
C[C@@H](CC(N)=O)Nc1cc(F)c(Br)cc1[N+](=O)[O-]	ZINC000136163388	196524492	/nfs/dbraw/zinc/52/44/92/196524492.db2.gz	BZJOFHJVDFBDGA-YFKPBYRVSA-N	0	0	320.118	2.172	10	5		DEBERN
Cc1ccc([C@@H](C)NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1F	ZINC000176225781	224815274	/nfs/dbraw/zinc/81/52/74/224815274.db2.gz	ZUINGWIZYUDOKM-SNVBAGLBSA-N	0	0	306.297	2.116	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2Cl)n1	ZINC000191452316	225110423	/nfs/dbraw/zinc/11/04/23/225110423.db2.gz	LAFNOHHPBHXIDN-UHFFFAOYSA-N	0	0	308.725	2.395	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N(C)Cc2cccc(F)c2)n1	ZINC000191461622	225112021	/nfs/dbraw/zinc/11/20/21/225112021.db2.gz	NUNWZNDITQBAFN-UHFFFAOYSA-N	0	0	306.297	2.223	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCc3cc(F)ccc32)n1	ZINC000191572518	225112659	/nfs/dbraw/zinc/11/26/59/225112659.db2.gz	JPCWWAZLVHASNO-LBPRGKRZSA-N	0	0	318.308	2.368	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)Cc2ccccc2F)n1	ZINC000191568592	225112749	/nfs/dbraw/zinc/11/27/49/225112749.db2.gz	UASRAJCOYGJQIV-SNVBAGLBSA-N	0	0	320.324	2.311	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)c2cccnc2)n1	ZINC000191579455	225113132	/nfs/dbraw/zinc/11/31/32/225113132.db2.gz	YHQPYQKGRUNPTD-SNVBAGLBSA-N	0	0	303.322	2.039	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@](C)(CC)c2nccs2)n1	ZINC000191628672	225115097	/nfs/dbraw/zinc/11/50/97/225115097.db2.gz	WKBQALKMCFGKDO-ZDUSSCGKSA-N	0	0	323.378	2.323	10	5		DEBERN
C[C@@H]1CN(CCN(C)Cc2csc([N+](=O)[O-])c2)C[C@H](C)O1	ZINC000195322629	225201268	/nfs/dbraw/zinc/20/12/68/225201268.db2.gz	BVELMJZSWIRNEU-TXEJJXNPSA-N	0	0	313.423	2.197	10	5		DEBERN
Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)c1nnc2n1CCCC2	ZINC000301964895	230007189	/nfs/dbraw/zinc/00/71/89/230007189.db2.gz	UEIKIQSDYXBTDW-JTQLQIEISA-N	0	0	302.338	2.399	10	5		DEBERN
Cc1cnn([C@H]2CCCN(c3cc(CO)ccc3[N+](=O)[O-])C2)c1	ZINC000302067873	230077105	/nfs/dbraw/zinc/07/71/05/230077105.db2.gz	UTVJTUJBMMNFTR-AWEZNQCLSA-N	0	0	316.361	2.434	10	5		DEBERN
CS(=O)(=O)c1cc(N2CCCC3(CC3)C2)ccc1[N+](=O)[O-]	ZINC000302292787	230211237	/nfs/dbraw/zinc/21/12/37/230211237.db2.gz	WYYAZJSDFNQONV-UHFFFAOYSA-N	0	0	310.375	2.379	10	5		DEBERN
Cc1ccccc1[C@@H](CO)Nc1ccc2ncc([N+](=O)[O-])n2n1	ZINC000534311121	421689316	/nfs/dbraw/zinc/68/93/16/421689316.db2.gz	XFDKUEWRJJBVDK-GFCCVEGCSA-N	0	0	313.317	2.091	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@](C)(C(N)=O)C(C)C	ZINC000287932694	275730167	/nfs/dbraw/zinc/73/01/67/275730167.db2.gz	PNRPWDPVFOMJJW-SOGBHIHOSA-N	0	0	319.361	2.014	10	5		DEBERN
CC(C)c1n[nH]c(C(=O)N2CCO[C@@H]3CCCC[C@H]32)c1[N+](=O)[O-]	ZINC000269340444	278000477	/nfs/dbraw/zinc/00/04/77/278000477.db2.gz	CZTXFVJEFUAIMZ-GHMZBOCLSA-N	0	0	322.365	2.225	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]2COCC[C@@H]21	ZINC000408001393	280190925	/nfs/dbraw/zinc/19/09/25/280190925.db2.gz	PLBQBPWHCQMQTB-YGRLFVJLSA-N	0	0	308.309	2.375	10	5		DEBERN
O=C(CCOc1ccccc1[N+](=O)[O-])NCCOCC1CCC1	ZINC000584384631	337233591	/nfs/dbraw/zinc/23/35/91/337233591.db2.gz	TVAKDEBPOLAJGM-UHFFFAOYSA-N	0	0	322.361	2.297	10	5		DEBERN
CN(C)c1nc(CN(C)Cc2ccccc2[N+](=O)[O-])ns1	ZINC000178622446	341960083	/nfs/dbraw/zinc/96/00/83/341960083.db2.gz	FEQNBJLGDZDTIW-UHFFFAOYSA-N	0	0	307.379	2.144	10	5		DEBERN
C[C@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C1CCCC1	ZINC000172200340	524963000	/nfs/dbraw/zinc/96/30/00/524963000.db2.gz	NBHLNFRNNKMHKZ-NSHDSACASA-N	0	0	319.361	2.020	10	5		DEBERN
CC(C)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)nn1	ZINC000191306076	528197671	/nfs/dbraw/zinc/19/76/71/528197671.db2.gz	PKZJCMUWENWELD-UHFFFAOYSA-N	0	0	302.290	2.424	10	5		DEBERN
CCCc1csc(NC(=O)c2nn(CC)cc2[N+](=O)[O-])n1	ZINC000191695820	528678768	/nfs/dbraw/zinc/67/87/68/528678768.db2.gz	YBAMQGWHZAXWSD-UHFFFAOYSA-N	0	0	309.351	2.473	10	5		DEBERN
CCOC(=O)CN(C(=O)c1cc([N+](=O)[O-])cnc1C)C(C)(C)C	ZINC000193832384	528776577	/nfs/dbraw/zinc/77/65/77/528776577.db2.gz	ZRKSJSRVXCRZMU-UHFFFAOYSA-N	0	0	323.349	2.102	10	5		DEBERN
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@@H](C)CO	ZINC000184872073	536134732	/nfs/dbraw/zinc/13/47/32/536134732.db2.gz	NEQNICWSAXVHKM-OUCADQQQSA-N	0	0	308.378	2.297	10	5		DEBERN
CCOc1ccccc1[C@H](C)OC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000050207066	623856500	/nfs/dbraw/zinc/85/65/00/623856500.db2.gz	YBJGGFTWKJJHDU-NSHDSACASA-N	0	0	319.317	2.494	10	5		DEBERN
O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCC(=O)C1CC1	ZINC000160646133	624005002	/nfs/dbraw/zinc/00/50/02/624005002.db2.gz	PRSVUHIROFNFJG-UHFFFAOYSA-N	0	0	302.286	2.141	10	5		DEBERN
COC(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C	ZINC000227825208	636620208	/nfs/dbraw/zinc/62/02/08/636620208.db2.gz	JYOQSEZAQODEAJ-JOYOIKCWSA-N	0	0	312.753	2.489	10	5		DEBERN
O=[N+]([O-])c1ccc(NC[C@@H](CO)c2ccccc2)c2nonc21	ZINC000749285486	638631929	/nfs/dbraw/zinc/63/19/29/638631929.db2.gz	FYCGESMEECGOLD-NSHDSACASA-N	0	0	314.301	2.319	10	5		DEBERN
C/C(=C/C(=O)NCc1nccn1C)c1ccc([N+](=O)[O-])cc1	ZINC000751984486	639143131	/nfs/dbraw/zinc/14/31/31/639143131.db2.gz	GPORTJPYDWEBNL-LUAWRHEFSA-N	0	0	300.318	2.048	10	5		DEBERN
Cc1cc(Cl)c(S(=O)(=O)NC[C@H]2C[C@H]2C)cc1[N+](=O)[O-]	ZINC000752234955	639166419	/nfs/dbraw/zinc/16/64/19/639166419.db2.gz	OLDPSZMINVRSRP-VXNVDRBHSA-N	0	0	318.782	2.491	10	5		DEBERN
CCOC(=O)[C@@H](CC1CC1)NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000752382926	639177477	/nfs/dbraw/zinc/17/74/77/639177477.db2.gz	HFBLVMBVKSQQHE-CYBMUJFWSA-N	0	0	306.318	2.056	10	5		DEBERN
C/C(=C/C(=O)N(C)C[C@H](O)C1CC1)c1ccc([N+](=O)[O-])cc1	ZINC000752524197	639193444	/nfs/dbraw/zinc/19/34/44/639193444.db2.gz	KUORJFLSWBCBCC-KLQCNHIUSA-N	0	0	304.346	2.227	10	5		DEBERN
C/C(=C/C(=O)Nc1c[nH]c(C(N)=O)c1)c1ccc([N+](=O)[O-])cc1	ZINC000752538759	639194914	/nfs/dbraw/zinc/19/49/14/639194914.db2.gz	KSJSALZKBFWLBV-TWGQIWQCSA-N	0	0	314.301	2.064	10	5		DEBERN
O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@H](C(F)F)C1	ZINC000801171558	645348159	/nfs/dbraw/zinc/34/81/59/645348159.db2.gz	GLVATGZCPUYWPK-JTQLQIEISA-N	0	0	320.679	2.354	10	5		DEBERN
CC(=O)c1cc([N+](=O)[O-])ccc1NCCCN1CCCC1=O	ZINC000804315177	645754193	/nfs/dbraw/zinc/75/41/93/645754193.db2.gz	GJNNKZOKYSSFAV-UHFFFAOYSA-N	0	0	305.334	2.222	10	5		DEBERN
O=C(CCOC1CCOCC1)OCCc1ccccc1[N+](=O)[O-]	ZINC000151269939	646323770	/nfs/dbraw/zinc/32/37/70/646323770.db2.gz	WMUXJLVUNYCSMO-UHFFFAOYSA-N	0	0	323.345	2.266	10	5		DEBERN
COc1ccc2c(c1)CCN2C(=O)c1ccc(N)c([N+](=O)[O-])c1	ZINC000058904992	646572664	/nfs/dbraw/zinc/57/26/64/646572664.db2.gz	JTVKCTPFKAJIPG-UHFFFAOYSA-N	0	0	313.313	2.389	10	5		DEBERN
CC(=O)N1CCC[C@H](C(=O)O[C@H](C)c2ccc([N+](=O)[O-])cc2)C1	ZINC000171569827	646706104	/nfs/dbraw/zinc/70/61/04/646706104.db2.gz	IHCMMBWNQFUZNG-RISCZKNCSA-N	0	0	320.345	2.458	10	5		DEBERN
Cc1nn(C)cc1NC(=O)CSc1ccc([N+](=O)[O-])cc1	ZINC000172773001	646751354	/nfs/dbraw/zinc/75/13/54/646751354.db2.gz	JZPJHDRUTRNPAD-UHFFFAOYSA-N	0	0	306.347	2.368	10	5		DEBERN
Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1	ZINC000032090501	683877447	/nfs/dbraw/zinc/87/74/47/683877447.db2.gz	BFGPOUNWOJOKTN-UHFFFAOYSA-N	0	0	316.273	2.136	10	5		DEBERN
COc1ccccc1[C@H](O)CNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000041453756	683890232	/nfs/dbraw/zinc/89/02/32/683890232.db2.gz	BLOOSLJHLCMURR-CQSZACIVSA-N	0	0	316.313	2.067	10	5		DEBERN
CC1(C)OC[C@H](COC(=O)CCc2cccc([N+](=O)[O-])c2)O1	ZINC000088817728	684019195	/nfs/dbraw/zinc/01/91/95/684019195.db2.gz	UEYSFSSFYHWHQY-ZDUSSCGKSA-N	0	0	309.318	2.222	10	5		DEBERN
CC(=O)Nc1ccc(OC(=O)c2cc([N+](=O)[O-])cnc2C)cc1	ZINC000194632723	685072724	/nfs/dbraw/zinc/07/27/24/685072724.db2.gz	OWOSJLRNXVPKRG-UHFFFAOYSA-N	0	0	315.285	2.476	10	5		DEBERN
COc1ccc(OCCOC(=O)C2=COCCC2)c([N+](=O)[O-])c1	ZINC000744988915	784650651	/nfs/dbraw/zinc/65/06/51/784650651.db2.gz	ZONVFGUKDALVIN-UHFFFAOYSA-N	0	0	323.301	2.220	10	5		DEBERN
O=[N+]([O-])c1c(F)cccc1NCC[C@@H]1CCCS1(=O)=O	ZINC000714329897	792308383	/nfs/dbraw/zinc/30/83/83/792308383.db2.gz	JEYWUMAGCZXVRD-VIFPVBQESA-N	0	0	302.327	2.113	10	5		DEBERN
CSc1ccccc1[C@@H](C)OC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000800025395	799297056	/nfs/dbraw/zinc/29/70/56/799297056.db2.gz	PTEWWMVETUNWRO-SECBINFHSA-N	0	0	322.346	2.213	10	5		DEBERN
CO[C@]1(CO)CCCN(c2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000401942514	801858908	/nfs/dbraw/zinc/85/89/08/801858908.db2.gz	PIOVSDYDZNPPRT-CYBMUJFWSA-N	0	0	300.742	2.226	10	5		DEBERN
CCCCN(CCO)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1	ZINC000050707590	1078476464	/nfs/dbraw/zinc/47/64/64/1078476464.db2.gz	CLEGAUJKPIYIDI-UHFFFAOYSA-N	0	0	315.757	2.065	10	5		DEBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@@H](C)Cc1ccsc1	ZINC000081399334	1081094982	/nfs/dbraw/zinc/09/49/82/1081094982.db2.gz	ANSOMUIGELPOSI-JTQLQIEISA-N	0	0	322.390	2.251	10	5		DEBERN
O=[N+]([O-])c1cc(Cl)cnc1NCC[C@@H]1CCCS1(=O)=O	ZINC000714326894	1082170284	/nfs/dbraw/zinc/17/02/84/1082170284.db2.gz	FUYPENYZOXMOBS-VIFPVBQESA-N	0	0	319.770	2.022	10	5		DEBERN
Cc1cc(C)cc(NC(=O)Cn2cc([N+](=O)[O-])cc(C)c2=O)c1	ZINC000096778134	185387208	/nfs/dbraw/zinc/38/72/08/185387208.db2.gz	VPLFTKTXLRMPLG-UHFFFAOYSA-N	0	0	315.329	2.320	10	5		DEBERN
CC[C@H](Oc1ccc(Br)cc1[N+](=O)[O-])C(N)=O	ZINC000088086765	185239315	/nfs/dbraw/zinc/23/93/15/185239315.db2.gz	PRDJDVHFIQSAFT-QMMMGPOBSA-N	0	0	303.112	2.000	10	5		DEBERN
CC[C@@H](C)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N	ZINC000088311770	185245144	/nfs/dbraw/zinc/24/51/44/185245144.db2.gz	FUSXYGBAZIHMMR-ZJUUUORDSA-N	0	0	315.395	2.280	10	5		DEBERN
CC[C@H](NC(=O)CNCC(F)(F)F)c1cccc([N+](=O)[O-])c1	ZINC000177801041	282208343	/nfs/dbraw/zinc/20/83/43/282208343.db2.gz	KZKZJOUXTTWTMV-NSHDSACASA-N	0	0	319.283	2.314	10	5		DEBERN
O=[N+]([O-])c1ccc(N[C@@H]2C=CS(=O)(=O)C2)c(C(F)F)c1	ZINC000088859335	185267418	/nfs/dbraw/zinc/26/74/18/185267418.db2.gz	NCDJYFWUYGVCDN-SSDOTTSWSA-N	0	0	304.274	2.255	10	5		DEBERN
CNc1cccc(Cn2cc(Br)c([N+](=O)[O-])n2)n1	ZINC000092372123	185314335	/nfs/dbraw/zinc/31/43/35/185314335.db2.gz	HJJCXQYZPCPQNH-UHFFFAOYSA-N	0	0	312.127	2.039	10	5		DEBERN
CCNc1ccc(S(=O)(=O)NC2(C)CCC2)cc1[N+](=O)[O-]	ZINC000168367000	197721827	/nfs/dbraw/zinc/72/18/27/197721827.db2.gz	KEAQOSOPHXVZCU-UHFFFAOYSA-N	0	0	313.379	2.248	10	5		DEBERN
COc1cc(CN2CC[C@H](C)[C@@H](OC)C2)c([N+](=O)[O-])cc1OC	ZINC000188334245	282297699	/nfs/dbraw/zinc/29/76/99/282297699.db2.gz	MGPKRJXFDAQQQG-ZBEGNZNMSA-N	0	0	324.377	2.469	10	5		DEBERN
CNC(=O)c1ccc(NC[C@H]2CCC(C)(C)O2)c([N+](=O)[O-])c1	ZINC000302472982	529942494	/nfs/dbraw/zinc/94/24/94/529942494.db2.gz	WFTLIVUEUUTPBD-LLVKDONJSA-N	0	0	307.350	2.324	10	5		DEBERN
Cc1c(C(=O)OC(C)C)nnn1-c1ccc([N+](=O)[O-])cc1C	ZINC000036639136	190663942	/nfs/dbraw/zinc/66/39/42/190663942.db2.gz	DYBNUIAZMXDHTA-UHFFFAOYSA-N	0	0	304.306	2.358	10	5		DEBERN
C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N)C1CCCC1	ZINC000070309263	190879896	/nfs/dbraw/zinc/87/98/96/190879896.db2.gz	DBNXLIBWSBZPBI-VIFPVBQESA-N	0	0	313.379	2.034	10	5		DEBERN
C[C@@H]1CCCCCN1S(=O)(=O)c1ccc(N)cc1[N+](=O)[O-]	ZINC000070413410	190886970	/nfs/dbraw/zinc/88/69/70/190886970.db2.gz	NFZGHABRCAFHCY-SNVBAGLBSA-N	0	0	313.379	2.130	10	5		DEBERN
CCOC(=O)CCN1c2cc([N+](=O)[O-])ccc2O[C@H](CC)C1=O	ZINC000071505204	190986510	/nfs/dbraw/zinc/98/65/10/190986510.db2.gz	NWDOAJQTDHIVGU-GFCCVEGCSA-N	0	0	322.317	2.052	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1cccc(C)c1=O	ZINC000071516955	190986826	/nfs/dbraw/zinc/98/68/26/190986826.db2.gz	KKTDBZCPZMYBGO-UHFFFAOYSA-N	0	0	301.302	2.012	10	5		DEBERN
O=C(NCCCc1ncc[nH]1)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000139445052	186022661	/nfs/dbraw/zinc/02/26/61/186022661.db2.gz	BIJXZTDXZGSFDM-UHFFFAOYSA-N	0	0	308.725	2.334	10	5		DEBERN
CCOC(=O)CN(c1ncc(Cl)cc1[N+](=O)[O-])C(C)C	ZINC000149479968	186050427	/nfs/dbraw/zinc/05/04/27/186050427.db2.gz	LVELGIPTEOLZQW-UHFFFAOYSA-N	0	0	301.730	2.421	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)c1=O	ZINC000155815051	186115312	/nfs/dbraw/zinc/11/53/12/186115312.db2.gz	LWPOPUCTFKVULJ-SMDDNHRTSA-N	0	0	321.377	2.102	10	5		DEBERN
CCO[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C12CCC2	ZINC000152553134	186084434	/nfs/dbraw/zinc/08/44/34/186084434.db2.gz	YMRSRJSFDWCEKE-ZIAGYGMSSA-N	0	0	319.361	2.376	10	5		DEBERN
O=C(Cn1cnc2ccccc2c1=O)c1ccccc1[N+](=O)[O-]	ZINC000000042188	353989514	/nfs/dbraw/zinc/98/95/14/353989514.db2.gz	CZBINRPCNFRRDC-UHFFFAOYSA-N	0	0	309.281	2.188	10	5		DEBERN
CC(=O)c1ccc(NCCCN2CCCC2=O)c([N+](=O)[O-])c1	ZINC000008147028	354010036	/nfs/dbraw/zinc/01/00/36/354010036.db2.gz	UCCRWWFKRXRNAE-UHFFFAOYSA-N	0	0	305.334	2.222	10	5		DEBERN
O=C(Cn1ccc([N+](=O)[O-])n1)N(Cc1ccco1)C1CCCC1	ZINC000055203174	354488013	/nfs/dbraw/zinc/48/80/13/354488013.db2.gz	GCCZQWIBZXVZLX-UHFFFAOYSA-N	0	0	318.333	2.356	10	5		DEBERN
Cc1ccnc(N[C@@H]2CCCN(c3cnn(C)c3)C2)c1[N+](=O)[O-]	ZINC000078368139	355257032	/nfs/dbraw/zinc/25/70/32/355257032.db2.gz	FGUMTSVWXOJUAS-GFCCVEGCSA-N	0	0	316.365	2.113	10	5		DEBERN
O=C(Nc1cc([N+](=O)[O-])ccc1Br)[C@H]1CCCO1	ZINC000075282782	191456408	/nfs/dbraw/zinc/45/64/08/191456408.db2.gz	OGXXAPNBRGZLPX-SNVBAGLBSA-N	0	0	315.123	2.475	10	5		DEBERN
Cc1cccc(CNC(=O)CCNc2ccccc2[N+](=O)[O-])n1	ZINC000130481132	355842374	/nfs/dbraw/zinc/84/23/74/355842374.db2.gz	UBEXCGCZURWKKY-UHFFFAOYSA-N	0	0	314.345	2.417	10	5		DEBERN
COc1ccc(CSCC(=O)N[C@@H]2C[C@H]2C)cc1[N+](=O)[O-]	ZINC000171052952	355995715	/nfs/dbraw/zinc/99/57/15/355995715.db2.gz	MALXVUSVVUSBSM-MWLCHTKSSA-N	0	0	310.375	2.361	10	5		DEBERN
Cc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1	ZINC000005659703	181268888	/nfs/dbraw/zinc/26/88/88/181268888.db2.gz	BFLJGSKKUGCGQJ-UHFFFAOYSA-N	0	0	316.273	2.388	10	5		DEBERN
Cc1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000005678196	181271328	/nfs/dbraw/zinc/27/13/28/181271328.db2.gz	APNJAFSQHXBUBX-IUCAKERBSA-N	0	0	323.305	2.061	10	5		DEBERN
CNc1ccc(S(=O)(=O)NC[C@H](C)C(C)C)cc1[N+](=O)[O-]	ZINC000081112871	192228437	/nfs/dbraw/zinc/22/84/37/192228437.db2.gz	AVZSEXHCPNNCOA-JTQLQIEISA-N	0	0	315.395	2.207	10	5		DEBERN
O=[N+]([O-])c1nn(CCC[C@@H]2CCOC2)cc1Br	ZINC000401074299	356725374	/nfs/dbraw/zinc/72/53/74/356725374.db2.gz	LIJYZRANPCKTNO-MRVPVSSYSA-N	0	0	304.144	2.371	10	5		DEBERN
CC(C)C(C)(C)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000580986244	357111825	/nfs/dbraw/zinc/11/18/25/357111825.db2.gz	FWADHSJESDKNNL-UHFFFAOYSA-N	0	0	322.361	2.459	10	5		DEBERN
O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CCCC[C@@H]1CO	ZINC000179233232	199002639	/nfs/dbraw/zinc/00/26/39/199002639.db2.gz	APABQAVXVADOPX-OLZOCXBDSA-N	0	0	322.361	2.031	10	5		DEBERN
CCC(F)(F)CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000599149933	359416814	/nfs/dbraw/zinc/41/68/14/359416814.db2.gz	URGGNVVGRWHSNJ-UHFFFAOYSA-N	0	0	308.306	2.456	10	5		DEBERN
CCOC(=O)C[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000089788916	192869735	/nfs/dbraw/zinc/86/97/35/192869735.db2.gz	SAUWIBIWYXHERY-SNVBAGLBSA-N	0	0	308.334	2.222	10	5		DEBERN
CO[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC[C@H]1C	ZINC000189304673	200378945	/nfs/dbraw/zinc/37/89/45/200378945.db2.gz	DKOVPGGRHSCLLK-IAQYHMDHSA-N	0	0	321.377	2.199	10	5		DEBERN
CO[C@@H]1C[C@@H](c2nc(C)no2)N(Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000190099035	200487849	/nfs/dbraw/zinc/48/78/49/200487849.db2.gz	DJNRHUCJGBOTPC-KGLIPLIRSA-N	0	0	318.333	2.248	10	5		DEBERN
CCC[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000609497065	361315394	/nfs/dbraw/zinc/31/53/94/361315394.db2.gz	LPMMCVNQJFQNAL-GHMZBOCLSA-N	0	0	323.349	2.097	10	5		DEBERN
O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc2nccn2c1	ZINC000609618964	361328954	/nfs/dbraw/zinc/32/89/54/361328954.db2.gz	QQKNHSDWPCDZBL-UHFFFAOYSA-N	0	0	312.285	2.260	10	5		DEBERN
CCN(CC)C(=O)C1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1	ZINC000610806820	361470180	/nfs/dbraw/zinc/47/01/80/361470180.db2.gz	NNBZEDMDPGNSSS-UHFFFAOYSA-N	0	0	320.393	2.383	10	5		DEBERN
CCN(CC)C(=O)[C@@H]1CCCN1c1nc(C)cc(C)c1[N+](=O)[O-]	ZINC000611616287	361645123	/nfs/dbraw/zinc/64/51/23/361645123.db2.gz	UUGYTVYFYDUPJU-ZDUSSCGKSA-N	0	0	320.393	2.444	10	5		DEBERN
COCCOC1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1	ZINC000611616455	361645481	/nfs/dbraw/zinc/64/54/81/361645481.db2.gz	QSNIKIAJYKMATB-UHFFFAOYSA-N	0	0	309.366	2.238	10	5		DEBERN
CO[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@H]1C	ZINC000194827268	201294906	/nfs/dbraw/zinc/29/49/06/201294906.db2.gz	PQKSKQUOVMJDLC-YGRLFVJLSA-N	0	0	309.322	2.360	10	5		DEBERN
COC(=O)c1cc(C)nc(N[C@H](C)[C@@H](OC)C2CC2)c1[N+](=O)[O-]	ZINC000450864265	242318826	/nfs/dbraw/zinc/31/88/26/242318826.db2.gz	UVWHNWYVVIIOSX-NOZJJQNGSA-N	0	0	323.349	2.310	10	5		DEBERN
Cc1noc(CNc2ncc([N+](=O)[O-])cc2Br)n1	ZINC000093433904	193250683	/nfs/dbraw/zinc/25/06/83/193250683.db2.gz	AFEIGMHHXPEFTN-UHFFFAOYSA-N	0	0	314.099	2.056	10	5		DEBERN
O=C(CCCO)Nc1ccc(Br)c([N+](=O)[O-])c1	ZINC000094189014	193348148	/nfs/dbraw/zinc/34/81/48/193348148.db2.gz	LETNBWIZTOQHQT-UHFFFAOYSA-N	0	0	303.112	2.068	10	5		DEBERN
CN1C[C@H](Nc2cc(F)c(Cl)cc2[N+](=O)[O-])CCC1=O	ZINC000097356457	193710521	/nfs/dbraw/zinc/71/05/21/193710521.db2.gz	HEONNWHHYZJBER-SSDOTTSWSA-N	0	0	301.705	2.420	10	5		DEBERN
CCN(CCO)c1cc(F)c(Br)cc1[N+](=O)[O-]	ZINC000097368559	193711941	/nfs/dbraw/zinc/71/19/41/193711941.db2.gz	DVSBCSSZXGCQDB-UHFFFAOYSA-N	0	0	307.119	2.315	10	5		DEBERN
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1NN)c1ccsc1	ZINC000161559957	197503575	/nfs/dbraw/zinc/50/35/75/197503575.db2.gz	FJNBBGMFIXJVRA-QMMMGPOBSA-N	0	0	306.347	2.433	10	5		DEBERN
C[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)c1ccc(Cl)cc1	ZINC000160302767	197399509	/nfs/dbraw/zinc/39/95/09/197399509.db2.gz	KZHLZJYXZLMCPB-QMMMGPOBSA-N	0	0	308.725	2.473	10	5		DEBERN
CCN(C1CC1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000037022979	182861906	/nfs/dbraw/zinc/86/19/06/182861906.db2.gz	DZMBTBVTSUQSSV-UHFFFAOYSA-N	0	0	304.755	2.421	10	5		DEBERN
NC(=O)c1ccsc1NC(=O)c1ccc(F)c([N+](=O)[O-])c1	ZINC000037976907	182948463	/nfs/dbraw/zinc/94/84/63/182948463.db2.gz	USRUEAMHOXETIJ-UHFFFAOYSA-N	0	0	309.278	2.147	10	5		DEBERN
CC[N+]([O-])(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC	ZINC000038960462	183013356	/nfs/dbraw/zinc/01/33/56/183013356.db2.gz	ZEJQXOWYPGUAMD-UHFFFAOYSA-N	0	0	315.801	2.015	10	5	in-vitro	DEBERN
CCOc1ncnc(Nc2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-]	ZINC000040648866	183114118	/nfs/dbraw/zinc/11/41/18/183114118.db2.gz	GTVSODULWNQRNG-UHFFFAOYSA-N	0	0	305.250	2.435	10	5		DEBERN
Cc1ccc(Nc2ncnc(N3CCCC3)c2[N+](=O)[O-])nc1	ZINC000040609274	183108702	/nfs/dbraw/zinc/10/87/02/183108702.db2.gz	APQLHKGAWFWCGT-UHFFFAOYSA-N	0	0	300.322	2.432	10	5		DEBERN
COc1ccc(N)cc1C[S@](=O)c1ccccc1[N+](=O)[O-]	ZINC000040969436	183152983	/nfs/dbraw/zinc/15/29/83/183152983.db2.gz	UOSGDQYAXIBXAN-OAQYLSRUSA-N	0	0	306.343	2.493	10	5		DEBERN
NC(=O)CCCNc1ccc([N+](=O)[O-])cc1Br	ZINC000043596572	183375194	/nfs/dbraw/zinc/37/51/94/183375194.db2.gz	RMPHSIOUVBVICE-UHFFFAOYSA-N	0	0	302.128	2.035	10	5		DEBERN
Nc1c(Br)cnn1Cc1csc([N+](=O)[O-])c1	ZINC000043666473	183377843	/nfs/dbraw/zinc/37/78/43/183377843.db2.gz	LPPRRMUGYLUUTE-UHFFFAOYSA-N	0	0	303.141	2.246	10	5		DEBERN
COCCCNC(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000045625410	183520470	/nfs/dbraw/zinc/52/04/70/183520470.db2.gz	BTJPCDYIWIBEKC-UHFFFAOYSA-N	0	0	317.139	2.124	10	5		DEBERN
Cc1cnn([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)c1	ZINC000105856251	194148047	/nfs/dbraw/zinc/14/80/47/194148047.db2.gz	KJCVOPSGPSAHNS-LLVKDONJSA-N	0	0	304.306	2.170	10	5		DEBERN
CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CC(C)C	ZINC000050653462	183795070	/nfs/dbraw/zinc/79/50/70/183795070.db2.gz	YDPWKVXQHFOPFY-SNVBAGLBSA-N	0	0	315.395	2.349	10	5		DEBERN
Nc1ccc(S(=O)(=O)NCCC2CCCC2)c([N+](=O)[O-])c1	ZINC000050660693	183796444	/nfs/dbraw/zinc/79/64/44/183796444.db2.gz	FVIIBPDRBMTNGU-UHFFFAOYSA-N	0	0	313.379	2.036	10	5		DEBERN
CCNc1ccc(S(=O)(=O)N2CC[C@@H](C)C2)cc1[N+](=O)[O-]	ZINC000050669589	183796645	/nfs/dbraw/zinc/79/66/45/183796645.db2.gz	UZMSVDGUPPDPLC-SNVBAGLBSA-N	0	0	313.379	2.057	10	5		DEBERN
O=[N+]([O-])c1ccc(-c2noc(C[C@H](O)C(F)(F)F)n2)cc1	ZINC000109486051	194268053	/nfs/dbraw/zinc/26/80/53/194268053.db2.gz	BFVHSARLUQZKDQ-QMMMGPOBSA-N	0	0	303.196	2.111	10	5		DEBERN
COC(=O)[C@H](Nc1cc(OC)c(F)cc1[N+](=O)[O-])C(C)C	ZINC000110624897	194343653	/nfs/dbraw/zinc/34/36/53/194343653.db2.gz	XXNMWDKXXVDULY-GFCCVEGCSA-N	0	0	300.286	2.352	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1nncn1C	ZINC000273283708	210656322	/nfs/dbraw/zinc/65/63/22/210656322.db2.gz	IYTIJPWCICGKFX-UQSGXBNBSA-N	0	0	315.333	2.004	10	5		DEBERN
O=[N+]([O-])c1c(Cl)ncnc1Sc1nnc2ccccn21	ZINC000061407039	184170518	/nfs/dbraw/zinc/17/05/18/184170518.db2.gz	ZSBNKNIVYJWKFY-UHFFFAOYSA-N	0	0	308.710	2.232	10	5		DEBERN
CCOC(=O)c1c(C)nc(N)nc1-c1ccc([N+](=O)[O-])cc1	ZINC000066134262	184391600	/nfs/dbraw/zinc/39/16/00/184391600.db2.gz	AFMRWDHYWRIGHX-UHFFFAOYSA-N	0	0	302.290	2.119	10	5		DEBERN
CCNc1ncnc(Sc2nc(C)cc(C)n2)c1[N+](=O)[O-]	ZINC000158846089	197306111	/nfs/dbraw/zinc/30/61/11/197306111.db2.gz	QHIVQFFGHYOTQY-UHFFFAOYSA-N	0	0	306.351	2.375	10	5		DEBERN
C[C@@H](O)CN(C)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000158792509	197301944	/nfs/dbraw/zinc/30/19/44/197301944.db2.gz	NCENDXLZCVRMGW-ZCFIWIBFSA-N	0	0	307.119	2.313	10	5		DEBERN
CCC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(NC)s1	ZINC000157539159	197195408	/nfs/dbraw/zinc/19/54/08/197195408.db2.gz	MJADGKGBFMKYPX-ZETCQYMHSA-N	0	0	307.397	2.165	10	5		DEBERN
CCSCC[C@@H](C)NC(=O)c1ccc(NN)c([N+](=O)[O-])c1	ZINC000157334638	197179652	/nfs/dbraw/zinc/17/96/52/197179652.db2.gz	IJXQGIITUVOLTB-SECBINFHSA-N	0	0	312.395	2.142	10	5		DEBERN
CSCC[C@@H](C)N(C)C(=O)c1cc([N+](=O)[O-])ccc1NN	ZINC000157348552	197180732	/nfs/dbraw/zinc/18/07/32/197180732.db2.gz	DSCHUCRFHYZAKV-SECBINFHSA-N	0	0	312.395	2.094	10	5		DEBERN
CC(C)[C@@H](C)CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000157230488	197172115	/nfs/dbraw/zinc/17/21/15/197172115.db2.gz	PDHVMCOKEOFIQE-VIFPVBQESA-N	0	0	304.343	2.304	10	5		DEBERN
C[C@@H](NC(=O)c1cccc(NN)c1[N+](=O)[O-])c1cccs1	ZINC000157132893	197164790	/nfs/dbraw/zinc/16/47/90/197164790.db2.gz	NVWYPVRNPUISJE-MRVPVSSYSA-N	0	0	306.347	2.433	10	5		DEBERN
COC(=O)[C@@]12CCC[C@@H]1CN(c1ncc([N+](=O)[O-])cc1C)C2	ZINC000302202727	533153451	/nfs/dbraw/zinc/15/34/51/533153451.db2.gz	VUGCEGJMFZTCSW-IAQYHMDHSA-N	0	0	305.334	2.078	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(CC(=O)N[C@H](C)c2cccs2)c1=O	ZINC000155929196	197075480	/nfs/dbraw/zinc/07/54/80/197075480.db2.gz	GVLHNHBIIKVMJI-SNVBAGLBSA-N	0	0	321.358	2.004	10	5		DEBERN
CCNc1cccc(NC[C@@H]2CCCS2(=O)=O)c1[N+](=O)[O-]	ZINC000155529753	197064311	/nfs/dbraw/zinc/06/43/11/197064311.db2.gz	VLNOUIDGBNVYAE-JTQLQIEISA-N	0	0	313.379	2.016	10	5		DEBERN
CCOC(=O)[C@@]1(C)CCN(c2nc3sccn3c2[N+](=O)[O-])C1	ZINC000154910112	197004359	/nfs/dbraw/zinc/00/43/59/197004359.db2.gz	LOILWWAMUHBHPV-ZDUSSCGKSA-N	0	0	324.362	2.084	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccc(N(C)C)n1	ZINC000152352459	196812022	/nfs/dbraw/zinc/81/20/22/196812022.db2.gz	BQTWKLWEKIDPRA-UHFFFAOYSA-N	0	0	314.345	2.294	10	5		DEBERN
COC(=O)[C@H](C)NCc1cc(Br)ccc1[N+](=O)[O-]	ZINC000122060811	195396076	/nfs/dbraw/zinc/39/60/76/195396076.db2.gz	VYLAEGWWEGPRQW-ZETCQYMHSA-N	0	0	317.139	2.008	10	5		DEBERN
O=[N+]([O-])c1c(Cl)cccc1NC[C@H]1CCS(=O)(=O)C1	ZINC000125422739	195747690	/nfs/dbraw/zinc/74/76/90/195747690.db2.gz	BGAXMWFEWLRKDF-MRVPVSSYSA-N	0	0	304.755	2.095	10	5		DEBERN
CSCCCCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	ZINC000125652769	195773429	/nfs/dbraw/zinc/77/34/29/195773429.db2.gz	AIAKFEXOMLWGIY-UHFFFAOYSA-N	0	0	311.363	2.481	10	5		DEBERN
C[C@@H](Nc1ncccc1[N+](=O)[O-])C(=O)N1CCc2ccccc21	ZINC000301152080	533566416	/nfs/dbraw/zinc/56/64/16/533566416.db2.gz	DLWJYCHKIPLITH-LLVKDONJSA-N	0	0	312.329	2.380	10	5		DEBERN
COC(=O)c1cc(C)nc(N2CCC[C@@H]2C2CC2)c1[N+](=O)[O-]	ZINC000367718036	291998052	/nfs/dbraw/zinc/99/80/52/291998052.db2.gz	XDTQLOZYFAPHDZ-GFCCVEGCSA-N	0	0	305.334	2.464	10	5		DEBERN
Cn1cncc1CNc1ncc(Br)cc1[N+](=O)[O-]	ZINC000357598139	133087202	/nfs/dbraw/zinc/08/72/02/133087202.db2.gz	REGZEPADILBVRL-UHFFFAOYSA-N	0	0	312.127	2.098	10	5		DEBERN
COC[C@](C)(NC(=O)c1ccc([N+](=O)[O-])s1)C(F)(F)F	ZINC000362201525	133216746	/nfs/dbraw/zinc/21/67/46/133216746.db2.gz	GZSYVJLQMYGVHR-VIFPVBQESA-N	0	0	312.269	2.354	10	5		DEBERN
CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1	ZINC000376455664	133295381	/nfs/dbraw/zinc/29/53/81/133295381.db2.gz	RRJBAYIXKNAQMX-OSQNNJELSA-N	0	0	317.345	2.219	10	5		DEBERN
CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](CCO)C2)c1	ZINC000123045244	144696437	/nfs/dbraw/zinc/69/64/37/144696437.db2.gz	UGIDGDXZVZYHMN-SNVBAGLBSA-N	0	0	310.375	2.161	10	5		DEBERN
CO[C@@H]1CN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[C@@H]1C	ZINC000189288253	145024822	/nfs/dbraw/zinc/02/48/22/145024822.db2.gz	HSOBZQMYWCVVQL-SWLSCSKDSA-N	0	0	321.377	2.199	10	5		DEBERN
Nc1ccc([N+](=O)[O-])c(N2CC[C@H](Oc3cccnc3)C2)c1	ZINC000193477761	145086145	/nfs/dbraw/zinc/08/61/45/145086145.db2.gz	YLUYIHQTHITHAC-ZDUSSCGKSA-N	0	0	300.318	2.230	10	5		DEBERN
Cc1nc(CN(C)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)no1	ZINC000358512816	147148525	/nfs/dbraw/zinc/14/85/25/147148525.db2.gz	XDWYPTNMRHCVJX-UHFFFAOYSA-N	0	0	315.289	2.040	10	5		DEBERN
CCOc1ccc(C(=O)N[C@H](C)[C@H]2CCOC2)cc1[N+](=O)[O-]	ZINC000358688956	147181944	/nfs/dbraw/zinc/18/19/44/147181944.db2.gz	WSWMFKMRBLNXNI-PWSUYJOCSA-N	0	0	308.334	2.148	10	5		DEBERN
CO[C@@H]1CC[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2C)C1	ZINC000359311217	147304748	/nfs/dbraw/zinc/30/47/48/147304748.db2.gz	SYETVBKPPDLWMB-CHWSQXEVSA-N	0	0	307.350	2.270	10	5		DEBERN
Cc1cc(N[C@H]2CCN(C3CCOCC3)C2=O)ccc1[N+](=O)[O-]	ZINC000371825729	148143885	/nfs/dbraw/zinc/14/38/85/148143885.db2.gz	YHFNCNIHFGVRBN-AWEZNQCLSA-N	0	0	319.361	2.095	10	5		DEBERN
CCc1nn(C)c(N2CC[C@H](C(C)(C)C)[C@@H](O)C2)c1[N+](=O)[O-]	ZINC000408195900	148573824	/nfs/dbraw/zinc/57/38/24/148573824.db2.gz	WIZLXEMLYZVXGW-JQWIXIFHSA-N	0	0	310.398	2.124	10	5		DEBERN
O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000127568575	401740530	/nfs/dbraw/zinc/74/05/30/401740530.db2.gz	FWCPFHAZIQBXGR-LRDDRELGSA-N	0	0	304.346	2.362	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2ccsc2)cc1	ZINC000013725220	401804174	/nfs/dbraw/zinc/80/41/74/401804174.db2.gz	VVPWQTNSEULBRJ-UHFFFAOYSA-N	0	0	312.372	2.177	10	5		DEBERN
Cc1ccccc1-c1nc(Cn2ccc(=O)c([N+](=O)[O-])c2)no1	ZINC000128083961	401762158	/nfs/dbraw/zinc/76/21/58/401762158.db2.gz	MXJFHJIHVKFVMU-UHFFFAOYSA-N	0	0	312.285	2.163	10	5		DEBERN
COc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2C)n1	ZINC000128496670	401779689	/nfs/dbraw/zinc/77/96/89/401779689.db2.gz	SQGAZNALSPQWOV-UHFFFAOYSA-N	0	0	301.302	2.237	10	5		DEBERN
C[C@@H](CO)CSc1ncc(Br)cc1[N+](=O)[O-]	ZINC000085138036	401913137	/nfs/dbraw/zinc/91/31/37/401913137.db2.gz	XTHUVEFNLCYDDO-LURJTMIESA-N	0	0	307.169	2.473	10	5		DEBERN
O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)[C@@H]1CCCO1	ZINC000119601275	401961560	/nfs/dbraw/zinc/96/15/60/401961560.db2.gz	MKUHLLCAWMIQPC-JTQLQIEISA-N	0	0	315.123	2.475	10	5		DEBERN
Cc1cccn2c(=O)c(C(=O)Nc3cccc([N+](=O)[O-])c3)cnc12	ZINC000090988324	401990043	/nfs/dbraw/zinc/99/00/43/401990043.db2.gz	WYIMKJHZERZWEY-UHFFFAOYSA-N	0	0	324.296	2.163	10	5		DEBERN
O=C(NCC1CC1)[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1	ZINC000054175459	402063633	/nfs/dbraw/zinc/06/36/33/402063633.db2.gz	GHKKZRBKUYJHRK-ZDUSSCGKSA-N	0	0	323.418	2.395	10	5		DEBERN
CCCC(=O)N[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000101563718	402148876	/nfs/dbraw/zinc/14/88/76/402148876.db2.gz	FZXGWNXCRZSQFG-CQSZACIVSA-N	0	0	305.378	2.476	10	5		DEBERN
Cc1nn(C)cc1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000068153306	402185507	/nfs/dbraw/zinc/18/55/07/402185507.db2.gz	JXVSSZDZXMDVQZ-SNVBAGLBSA-N	0	0	302.334	2.436	10	5		DEBERN
Cc1sc(C(=O)N2CCN(C)C[C@@H]2C(C)C)cc1[N+](=O)[O-]	ZINC000154040565	402188724	/nfs/dbraw/zinc/18/87/24/402188724.db2.gz	TURZOPSRBAEPGP-GFCCVEGCSA-N	0	0	311.407	2.377	10	5		DEBERN
CC1(C)CCCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000102930647	402175068	/nfs/dbraw/zinc/17/50/68/402175068.db2.gz	AVRFFDKCVVMBAH-UHFFFAOYSA-N	0	0	321.333	2.136	10	5		DEBERN
COc1cccc(N2CCC[C@@H](n3cncn3)C2)c1[N+](=O)[O-]	ZINC000185378364	402348099	/nfs/dbraw/zinc/34/80/99/402348099.db2.gz	KBDKIAKBSAWBIC-LLVKDONJSA-N	0	0	303.322	2.036	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H]1Cn1ccnc1	ZINC000177734233	402430930	/nfs/dbraw/zinc/43/09/30/402430930.db2.gz	QXFNYSHNRIRMTI-SNVBAGLBSA-N	0	0	306.347	2.158	10	5		DEBERN
O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@@H]1Cn1ccnc1	ZINC000177744022	402431495	/nfs/dbraw/zinc/43/14/95/402431495.db2.gz	JBOJPHFSAJBKOC-LLVKDONJSA-N	0	0	306.347	2.158	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[C@H](OC)C1	ZINC000187908358	402512954	/nfs/dbraw/zinc/51/29/54/402512954.db2.gz	WUUHHVUGSWSFBG-IINYFYTJSA-N	0	0	308.334	2.100	10	5		DEBERN
Cc1ccc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2O)cc1[N+](=O)[O-]	ZINC000178362542	402489844	/nfs/dbraw/zinc/48/98/44/402489844.db2.gz	LHLKJAUSCZNPBI-GDBMZVCRSA-N	0	0	312.325	2.291	10	5		DEBERN
CCn1cc([C@@H]2CN(c3nc(C)ccc3[N+](=O)[O-])CCO2)cn1	ZINC000189606498	402548225	/nfs/dbraw/zinc/54/82/25/402548225.db2.gz	VNZWGJZVAFOFQC-AWEZNQCLSA-N	0	0	317.349	2.093	10	5		DEBERN
CC(C)[C@@H](O)CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1	ZINC000178959805	402559653	/nfs/dbraw/zinc/55/96/53/402559653.db2.gz	RRMORHJCZLEBRP-HNNXBMFYSA-N	0	0	308.378	2.441	10	5		DEBERN
O=C(COc1ccccc1[N+](=O)[O-])NCCCc1ccccn1	ZINC000178599389	402515866	/nfs/dbraw/zinc/51/58/66/402515866.db2.gz	RIWZICOWZUFMMF-UHFFFAOYSA-N	0	0	315.329	2.118	10	5		DEBERN
Cc1nc(C)n(C[C@H]2CCCN(c3ncc([N+](=O)[O-])s3)C2)n1	ZINC000190325807	402593118	/nfs/dbraw/zinc/59/31/18/402593118.db2.gz	WYCAQMKGLYSFEO-NSHDSACASA-N	0	0	322.394	2.176	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@@H](O)C1(C)C	ZINC000190455272	402602324	/nfs/dbraw/zinc/60/23/24/402602324.db2.gz	HXCZIBSUYJIXOW-CJDRZLIDSA-N	0	0	304.346	2.274	10	5		DEBERN
CC(C)(O)CN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)C1CC1	ZINC000190103563	402576132	/nfs/dbraw/zinc/57/61/32/402576132.db2.gz	IKNIJJIGFXKMCQ-UHFFFAOYSA-N	0	0	317.345	2.452	10	5		DEBERN
CC(C)CC[C@@](C)(O)CNC(=O)c1c(N)cccc1[N+](=O)[O-]	ZINC000181144094	402636584	/nfs/dbraw/zinc/63/65/84/402636584.db2.gz	AYPANTYLTOCJNI-OAHLLOKOSA-N	0	0	309.366	2.094	10	5		DEBERN
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[C@H](O)C1CCCCC1	ZINC000191265529	402655743	/nfs/dbraw/zinc/65/57/43/402655743.db2.gz	ZQYUBOYYVZOGJT-AWEZNQCLSA-N	0	0	318.329	2.132	10	5		DEBERN
COc1ccc(S(=O)(=O)NC[C@H](C)C(C)C)cc1[N+](=O)[O-]	ZINC000172666420	402669110	/nfs/dbraw/zinc/66/91/10/402669110.db2.gz	UKBDWEYYNKXARU-JTQLQIEISA-N	0	0	316.379	2.174	10	5		DEBERN
CC[C@H](NS(=O)(=O)[C@H](C)COC)c1cccc([N+](=O)[O-])c1	ZINC000175113415	402780214	/nfs/dbraw/zinc/78/02/14/402780214.db2.gz	CWFCJTSKTNPVGC-MFKMUULPSA-N	0	0	316.379	2.000	10	5		DEBERN
C[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCO1	ZINC000183150404	402742659	/nfs/dbraw/zinc/74/26/59/402742659.db2.gz	OYRLLSNGIYPOGC-GWCFXTLKSA-N	0	0	318.333	2.302	10	5		DEBERN
CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H](C(=O)OC(C)(C)C)C1	ZINC000192667044	402743391	/nfs/dbraw/zinc/74/33/91/402743391.db2.gz	PFBITZVQATTWBT-LLVKDONJSA-N	0	0	324.381	2.288	10	5		DEBERN
CC[C@H](NC(=O)N[C@H](C)c1nc[nH]n1)c1cccc([N+](=O)[O-])c1	ZINC000183213797	402747375	/nfs/dbraw/zinc/74/73/75/402747375.db2.gz	YOYNIQOWRSKPEY-SKDRFNHKSA-N	0	0	318.337	2.224	10	5		DEBERN
C[C@H](O)C1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000193274540	402769232	/nfs/dbraw/zinc/76/92/32/402769232.db2.gz	JGNZSUSOTVWUBS-JTQLQIEISA-N	0	0	309.322	2.096	10	5		DEBERN
O=C(NCCCc1ccccn1)Nc1ccncc1[N+](=O)[O-]	ZINC000183586509	402779030	/nfs/dbraw/zinc/77/90/30/402779030.db2.gz	CJBSWTAYDQPTDN-UHFFFAOYSA-N	0	0	301.306	2.139	10	5		DEBERN
COCc1ccc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)o1	ZINC000194477538	402799639	/nfs/dbraw/zinc/79/96/39/402799639.db2.gz	BNNCISXVIPLNHU-UHFFFAOYSA-N	0	0	304.302	2.307	10	5		DEBERN
Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)n1	ZINC000175668688	402824209	/nfs/dbraw/zinc/82/42/09/402824209.db2.gz	ZJVCIVFBFRMPDZ-NSHDSACASA-N	0	0	303.322	2.311	10	5		DEBERN
CNC(=O)[C@H](NCc1cc([N+](=O)[O-])ccc1OC(C)C)C(C)C	ZINC000183657119	402785894	/nfs/dbraw/zinc/78/58/94/402785894.db2.gz	RUJSSVNENKUUKX-OAHLLOKOSA-N	0	0	323.393	2.242	10	5		DEBERN
CC[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CCN1CC(F)F	ZINC000270804838	403226500	/nfs/dbraw/zinc/22/65/00/403226500.db2.gz	OQIOGPOKSYJIHV-SNVBAGLBSA-N	0	0	300.309	2.156	10	5		DEBERN
Cc1nn(C)c(NCCCc2nc(C(C)C)no2)c1[N+](=O)[O-]	ZINC000301251742	403606443	/nfs/dbraw/zinc/60/64/43/403606443.db2.gz	RWOOUONNGYNBDT-UHFFFAOYSA-N	0	0	308.342	2.188	10	5		DEBERN
COc1ccccc1CSc1ncc([N+](=O)[O-])cc1C(N)=O	ZINC000301281302	403610535	/nfs/dbraw/zinc/61/05/35/403610535.db2.gz	OHKGLRGORCHVHT-UHFFFAOYSA-N	0	0	319.342	2.390	10	5		DEBERN
Cc1sc(C(=O)N2CC[C@H](O)C23CCCC3)cc1[N+](=O)[O-]	ZINC000294074135	403640670	/nfs/dbraw/zinc/64/06/70/403640670.db2.gz	HTBIJUDSTJGZTC-LBPRGKRZSA-N	0	0	310.375	2.484	10	5		DEBERN
CC[NH+]1CCN([C@H](C)CNc2cc(F)ccc2[N+](=O)[O-])CC1	ZINC000302789895	403725819	/nfs/dbraw/zinc/72/58/19/403725819.db2.gz	FQXFXRDHNNUFQS-GFCCVEGCSA-N	0	0	310.373	2.172	10	5		DEBERN
C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCO[C@@H](C2CC2)C1	ZINC000368786308	403856156	/nfs/dbraw/zinc/85/61/56/403856156.db2.gz	XRFNWRBQJFYNFM-IAQYHMDHSA-N	0	0	319.361	2.033	10	5		DEBERN
Cc1c(Br)c(N(C)CCCCO)ncc1[N+](=O)[O-]	ZINC000350667159	404439265	/nfs/dbraw/zinc/43/92/65/404439265.db2.gz	ASCLKHNDXRMKNS-UHFFFAOYSA-N	0	0	318.171	2.269	10	5		DEBERN
CC[C@@H]1C[C@@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CCO1	ZINC000408163887	405128852	/nfs/dbraw/zinc/12/88/52/405128852.db2.gz	FHFJRRKDUWVCKT-SMDDNHRTSA-N	0	0	319.361	2.080	10	5		DEBERN
O=C(C1CCC(=O)CC1)N1CCc2ccc([N+](=O)[O-])cc2C1	ZINC000408443375	405207938	/nfs/dbraw/zinc/20/79/38/405207938.db2.gz	PDEQQNKRDSHGCF-UHFFFAOYSA-N	0	0	302.330	2.239	10	5		DEBERN
CC(C)(c1noc(Cn2cnc([N+](=O)[O-])n2)n1)C1CCCCC1	ZINC000445530571	405352842	/nfs/dbraw/zinc/35/28/42/405352842.db2.gz	ATUPHFRWLCYDME-UHFFFAOYSA-N	0	0	320.353	2.476	10	5		DEBERN
CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccn(C)n1	ZINC000439880136	405295266	/nfs/dbraw/zinc/29/52/66/405295266.db2.gz	JBLYRDWPOCAPHG-UHFFFAOYSA-N	0	0	319.321	2.049	10	5		DEBERN
CCOc1ccc(C(=O)N2CC[C@H](CCCO)C2)cc1[N+](=O)[O-]	ZINC000457156957	405727251	/nfs/dbraw/zinc/72/72/51/405727251.db2.gz	RLLPITQIBGXIFF-LBPRGKRZSA-N	0	0	322.361	2.228	10	5		DEBERN
COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(N(C)C)nc1	ZINC000494637704	405734094	/nfs/dbraw/zinc/73/40/94/405734094.db2.gz	PYIARXFDMHFYNZ-UHFFFAOYSA-N	0	0	316.317	2.317	10	5		DEBERN
O=[N+]([O-])c1ccccc1/C=C\CN1CCO[C@@]2(CCOC2)C1	ZINC000588487003	405879118	/nfs/dbraw/zinc/87/91/18/405879118.db2.gz	MZDRORUKKLAPDE-IMMZDGJCSA-N	0	0	304.346	2.099	10	5		DEBERN
O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cn1	ZINC000450414437	405886396	/nfs/dbraw/zinc/88/63/96/405886396.db2.gz	XREZBBMJBIRWBR-LLVKDONJSA-N	0	0	314.349	2.369	10	5		DEBERN
C[C@@H]1C[C@H]1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1	ZINC000468341003	406096963	/nfs/dbraw/zinc/09/69/63/406096963.db2.gz	RLESRXSTGUMICK-MNOVXSKESA-N	0	0	305.334	2.023	10	5		DEBERN
O=C(NCCOCC1CCC1)NCc1ccc([N+](=O)[O-])cc1	ZINC000570017509	406332497	/nfs/dbraw/zinc/33/24/97/406332497.db2.gz	XBNBIESLLPPULH-UHFFFAOYSA-N	0	0	307.350	2.211	10	5		DEBERN
CC[C@H]1C(=O)N(CC)CCN1c1ncc([N+](=O)[O-])cc1Cl	ZINC000547965730	406461759	/nfs/dbraw/zinc/46/17/59/406461759.db2.gz	QTUJMCUBXSMLSD-NSHDSACASA-N	0	0	312.757	2.090	10	5		DEBERN
Nc1nc(Cl)nc(Oc2ccc([N+](=O)[O-])cc2Cl)n1	ZINC000129689534	196068288	/nfs/dbraw/zinc/06/82/88/196068288.db2.gz	RFEHLANIXVYUGO-UHFFFAOYSA-N	0	0	302.077	2.461	10	5		DEBERN
Nc1nc(Cl)nc(Oc2ccc([N+](=O)[O-])c(Cl)c2)n1	ZINC000129818821	196078014	/nfs/dbraw/zinc/07/80/14/196078014.db2.gz	ZZJKBFWPMORXBT-UHFFFAOYSA-N	0	0	302.077	2.461	10	5		DEBERN
Cc1noc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)n1	ZINC000131190849	196148788	/nfs/dbraw/zinc/14/87/88/196148788.db2.gz	YJSFSMDJIXHXOE-UHFFFAOYSA-N	0	0	308.319	2.158	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC=CCC2)cc1F	ZINC000131245961	196152849	/nfs/dbraw/zinc/15/28/49/196152849.db2.gz	PEYKBRPFJKOHDW-SECBINFHSA-N	0	0	300.311	2.121	10	5		DEBERN
C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1	ZINC000131810495	196201399	/nfs/dbraw/zinc/20/13/99/196201399.db2.gz	FAXUBHUBHVLMIQ-JOYOIKCWSA-N	0	0	313.379	2.034	10	5		DEBERN
CCOC(=O)c1ccnc(N[C@@](C)(CC)CCO)c1[N+](=O)[O-]	ZINC000131840244	196204151	/nfs/dbraw/zinc/20/41/51/196204151.db2.gz	NVMDYDFKRGRHJJ-AWEZNQCLSA-N	0	0	311.338	2.130	10	5		DEBERN
Nc1cc(S(=O)(=O)NC2CCCCCC2)ccc1[N+](=O)[O-]	ZINC000131871737	196205302	/nfs/dbraw/zinc/20/53/02/196205302.db2.gz	ULJYNTZKTNFYPX-UHFFFAOYSA-N	0	0	313.379	2.178	10	5		DEBERN
CCCN(CC)S(=O)(=O)c1ccc([N+](=O)[O-])c(NCC)c1	ZINC000131880668	196206022	/nfs/dbraw/zinc/20/60/22/196206022.db2.gz	UDWAOFLIOGTYJJ-UHFFFAOYSA-N	0	0	315.395	2.447	10	5		DEBERN
CNc1cc(S(=O)(=O)N(C)CC(C)(C)C)ccc1[N+](=O)[O-]	ZINC000132324864	196245184	/nfs/dbraw/zinc/24/51/84/196245184.db2.gz	BCMGORXLNQEZCI-UHFFFAOYSA-N	0	0	315.395	2.303	10	5		DEBERN
CCS(=O)(=O)CCn1nc(CC(C)C)c([N+](=O)[O-])c1Cl	ZINC000132498500	196260361	/nfs/dbraw/zinc/26/03/61/196260361.db2.gz	NOYLLVMRTLDKOJ-UHFFFAOYSA-N	0	0	323.802	2.078	10	5		DEBERN
CCC(C)(C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(NC)c1	ZINC000132704647	196277423	/nfs/dbraw/zinc/27/74/23/196277423.db2.gz	KNZDYGBEUZTGMQ-UHFFFAOYSA-N	0	0	315.395	2.446	10	5		DEBERN
CC[C@@H](CSC)Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-]	ZINC000133143948	196314873	/nfs/dbraw/zinc/31/48/73/196314873.db2.gz	WTAYSONYCISDMH-QMMMGPOBSA-N	0	0	308.363	2.385	10	5		DEBERN
CC[C@H](CSC)Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-]	ZINC000133144138	196315322	/nfs/dbraw/zinc/31/53/22/196315322.db2.gz	WTAYSONYCISDMH-MRVPVSSYSA-N	0	0	308.363	2.385	10	5		DEBERN
C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1nnc2n1CCCC2	ZINC000134079175	196358719	/nfs/dbraw/zinc/35/87/19/196358719.db2.gz	RFERRXCTDBMLNC-JTQLQIEISA-N	0	0	315.333	2.014	10	5		DEBERN
C[C@H](N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1(C)CC1	ZINC000176787083	224828805	/nfs/dbraw/zinc/82/88/05/224828805.db2.gz	LTEZCWOEHAXSNV-QMMMGPOBSA-N	0	0	304.393	2.465	10	5		DEBERN
O=C(NCC1(CCO)CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1	ZINC000187974124	225005187	/nfs/dbraw/zinc/00/51/87/225005187.db2.gz	GTSGLIMQSLRMCL-UHFFFAOYSA-N	0	0	319.361	2.062	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N(C)C[C@@H](C)c2nccs2)n1	ZINC000191707325	225116315	/nfs/dbraw/zinc/11/63/15/225116315.db2.gz	ZYPFDERNSHMNJU-SECBINFHSA-N	0	0	323.378	2.143	10	5		DEBERN
O=[N+]([O-])c1cnc2ccc(NCCC[C@@H]3CCCC[C@@H]3O)nn21	ZINC000301953637	230000749	/nfs/dbraw/zinc/00/07/49/230000749.db2.gz	JYUKQISOVFOCKL-RYUDHWBXSA-N	0	0	319.365	2.381	10	5		DEBERN
C[C@](O)(CNc1cc(CO)ccc1[N+](=O)[O-])c1ccccc1	ZINC000302041972	230057925	/nfs/dbraw/zinc/05/79/25/230057925.db2.gz	NWMQIYKTAOZQBT-INIZCTEOSA-N	0	0	302.330	2.407	10	5		DEBERN
CCOCCOCC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1	ZINC000177796180	267565170	/nfs/dbraw/zinc/56/51/70/267565170.db2.gz	BEBQQYAHWWMWRR-CQSZACIVSA-N	0	0	310.350	2.215	10	5		DEBERN
Cc1cc(COCC(=O)Nc2cccc([N+](=O)[O-])c2C)on1	ZINC000193280901	267755539	/nfs/dbraw/zinc/75/55/39/267755539.db2.gz	SZLOPOINZCKLCY-UHFFFAOYSA-N	0	0	305.290	2.355	10	5		DEBERN
CCOC(=O)[C@]1(C)CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1	ZINC000154898223	276296105	/nfs/dbraw/zinc/29/61/05/276296105.db2.gz	STYVFZRDHDGAAY-CQSZACIVSA-N	0	0	323.305	2.283	10	5		DEBERN
COc1cc(OCC(=O)N2CCCC2(C)C)ccc1[N+](=O)[O-]	ZINC000102918472	277837519	/nfs/dbraw/zinc/83/75/19/277837519.db2.gz	PEWIQQVXESRQOE-UHFFFAOYSA-N	0	0	308.334	2.383	10	5		DEBERN
Cc1c(C(=O)N2[C@H](C)COC[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000131127716	280213683	/nfs/dbraw/zinc/21/36/83/280213683.db2.gz	QZLPUKOLQNTLOO-RKDXNWHRSA-N	0	0	323.305	2.061	10	5		DEBERN
Cc1ccnc(N[C@H]2CCc3nnc(C(C)C)n3C2)c1[N+](=O)[O-]	ZINC000172278181	281474572	/nfs/dbraw/zinc/47/45/72/281474572.db2.gz	KRXZQUDOFQQTED-NSHDSACASA-N	0	0	316.365	2.440	10	5		DEBERN
Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc([N+](=O)[O-])c1C	ZINC000081585142	293523956	/nfs/dbraw/zinc/52/39/56/293523956.db2.gz	XLZLKWBDVDYZJE-GFCCVEGCSA-N	0	0	315.333	2.068	10	5		DEBERN
O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1COc2ccccc21	ZINC000058507207	304810488	/nfs/dbraw/zinc/81/04/88/304810488.db2.gz	ABANYPLXZBFDGM-NSHDSACASA-N	0	0	320.326	2.007	10	5		DEBERN
COc1ccc(O)cc1C(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000188541914	534212214	/nfs/dbraw/zinc/21/22/14/534212214.db2.gz	GNPJFMWYIJYUCF-UHFFFAOYSA-N	0	0	302.286	2.239	10	5		DEBERN
CC(C)(C(=O)NC[C@@H](CO)C1CC1)c1ccccc1[N+](=O)[O-]	ZINC000357832991	534341569	/nfs/dbraw/zinc/34/15/69/534341569.db2.gz	WQQKIPJJFFOPNK-LBPRGKRZSA-N	0	0	306.362	2.007	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC)cc2OC)n1	ZINC000191454207	529154375	/nfs/dbraw/zinc/15/43/75/529154375.db2.gz	XEQOHPQZCHCGPY-UHFFFAOYSA-N	0	0	320.305	2.081	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccnc2OC(C)C)n1	ZINC000191542790	529154696	/nfs/dbraw/zinc/15/46/96/529154696.db2.gz	VQFLBJMVTADCBT-UHFFFAOYSA-N	0	0	319.321	2.246	10	5		DEBERN
COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000249503721	536550678	/nfs/dbraw/zinc/55/06/78/536550678.db2.gz	XXXIWKYBTMGHTI-YUTCNCBUSA-N	0	0	318.329	2.009	10	5		DEBERN
COC[C@@](C)(NC(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F	ZINC000362200642	536805824	/nfs/dbraw/zinc/80/58/24/536805824.db2.gz	DUDGMIMTZBELRQ-LLVKDONJSA-N	0	0	306.240	2.292	10	5		DEBERN
CCOC(=O)CC(=O)CSCc1cc(F)ccc1[N+](=O)[O-]	ZINC000179389574	625641738	/nfs/dbraw/zinc/64/17/38/625641738.db2.gz	BAKDVRFLOAGALM-UHFFFAOYSA-N	0	0	315.322	2.489	10	5		DEBERN
COC[C@H](C)CNc1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-]	ZINC000255215671	623944003	/nfs/dbraw/zinc/94/40/03/623944003.db2.gz	OVFZZDRPBFJUGT-JPVGGKMYSA-N	0	0	308.334	2.475	10	5		DEBERN
Cc1cc([C@@H]2CN(Cn3nccc3[N+](=O)[O-])CCO2)ccc1F	ZINC000161123172	624808492	/nfs/dbraw/zinc/80/84/92/624808492.db2.gz	ONEVLFKLMJIRIB-AWEZNQCLSA-N	0	0	320.324	2.270	10	5		DEBERN
CC(=O)CCN(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000135585801	624942300	/nfs/dbraw/zinc/94/23/00/624942300.db2.gz	ZEKMEZIGARFQAM-UHFFFAOYSA-N	0	0	319.361	2.246	10	5		DEBERN
O=[N+]([O-])c1cc(Br)ccc1C[NH2+]CC1(O)CCC1	ZINC000162236777	636562219	/nfs/dbraw/zinc/56/22/19/636562219.db2.gz	CAQOMONLSHIBNF-UHFFFAOYSA-N	0	0	315.167	2.362	10	5		DEBERN
C/C(=C\C(=O)NCC1(O)CCCC1)c1ccc([N+](=O)[O-])cc1	ZINC000752372060	639176331	/nfs/dbraw/zinc/17/63/31/639176331.db2.gz	NRHPXHYNAVCABF-ZRDIBKRKSA-N	0	0	304.346	2.419	10	5		DEBERN
CCOC(=O)[C@@H](CC1CC1)NC(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000752383460	639177716	/nfs/dbraw/zinc/17/77/16/639177716.db2.gz	MSEHYAVIDOUQLS-CQSZACIVSA-N	0	0	320.345	2.365	10	5		DEBERN
C/C(=C\C(=O)O[C@H](C)c1nncn1C)c1ccc([N+](=O)[O-])cc1	ZINC000805529085	641984973	/nfs/dbraw/zinc/98/49/73/641984973.db2.gz	SJGSYIIADNYTHU-RJCSOLBVSA-N	0	0	316.317	2.431	10	5		DEBERN
COC(=O)c1ccoc1C(=O)OCc1ccccc1[N+](=O)[O-]	ZINC000800268031	645249518	/nfs/dbraw/zinc/24/95/18/645249518.db2.gz	AUGGXIVIVZOELG-UHFFFAOYSA-N	0	0	305.242	2.331	10	5		DEBERN
O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@@H](C(F)F)C1	ZINC000801171559	645348166	/nfs/dbraw/zinc/34/81/66/645348166.db2.gz	GLVATGZCPUYWPK-SNVBAGLBSA-N	0	0	320.679	2.354	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H](C(F)F)C1	ZINC000801561252	645414724	/nfs/dbraw/zinc/41/47/24/645414724.db2.gz	NNNRRYZSADSLLK-GFCCVEGCSA-N	0	0	302.277	2.069	10	5		DEBERN
Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc2nccn2c1	ZINC000801893377	645458344	/nfs/dbraw/zinc/45/83/44/645458344.db2.gz	UQHMNIHMJIYDKU-UHFFFAOYSA-N	0	0	315.264	2.216	10	5		DEBERN
COC(=O)[C@H](OC(=O)c1cc([N+](=O)[O-])cc(C)c1F)C1CC1	ZINC000803462679	645657352	/nfs/dbraw/zinc/65/73/52/645657352.db2.gz	WIINSTLMNCMCJV-GFCCVEGCSA-N	0	0	311.265	2.151	10	5		DEBERN
C[C@@H](OC(=O)C1=COCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000730852893	647420823	/nfs/dbraw/zinc/42/08/23/647420823.db2.gz	ULUHCDBLLOQTFQ-SNVBAGLBSA-N	0	0	320.301	2.159	10	5		DEBERN
COc1cccc([C@@H](C)OC(=O)Cn2cc([N+](=O)[O-])cn2)c1	ZINC000174858520	648055649	/nfs/dbraw/zinc/05/56/49/648055649.db2.gz	JYQKZNZBMQAQFC-SNVBAGLBSA-N	0	0	305.290	2.104	10	5		DEBERN
C[C@H]1C[C@@H]1COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000067901920	648374418	/nfs/dbraw/zinc/37/44/18/648374418.db2.gz	UYTFVCGRLXOBGI-NWDGAFQWSA-N	0	0	320.345	2.244	10	5		DEBERN
CCC1(COC(=O)CN(C)c2ccccc2[N+](=O)[O-])COC1	ZINC000179838442	648425429	/nfs/dbraw/zinc/42/54/29/648425429.db2.gz	DYUWLVPKPXOLOM-UHFFFAOYSA-N	0	0	308.334	2.001	10	5		DEBERN
CCOc1ccc(C(=O)OCc2noc(CC)n2)cc1[N+](=O)[O-]	ZINC000733418212	649626637	/nfs/dbraw/zinc/62/66/37/649626637.db2.gz	MLMYCARDDGJCFK-UHFFFAOYSA-N	0	0	321.289	2.296	10	5		DEBERN
Cc1ccc([C@H](C)OC(=O)[C@H]2CCNC(=O)C2)cc1[N+](=O)[O-]	ZINC000122735680	684118485	/nfs/dbraw/zinc/11/84/85/684118485.db2.gz	IOGITQBDEZZNNF-JQWIXIFHSA-N	0	0	306.318	2.034	10	5		DEBERN
Cc1cc(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nn1C	ZINC000128412160	684170351	/nfs/dbraw/zinc/17/03/51/684170351.db2.gz	JJDOOQGGBHNJNG-UHFFFAOYSA-N	0	0	324.724	2.308	10	5		DEBERN
CSCCCCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000128843964	684174061	/nfs/dbraw/zinc/17/40/61/684174061.db2.gz	YCYGQDVBLXGHGE-UHFFFAOYSA-N	0	0	322.383	2.155	10	5		DEBERN
CC(=O)N1CC[C@@H](OC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)C1	ZINC000588447867	777209748	/nfs/dbraw/zinc/20/97/48/777209748.db2.gz	RMCCLBWQJCPZSQ-ZHUYAKLQSA-N	0	0	318.329	2.162	10	5		DEBERN
CC[C@H](NC(=O)N[C@H](CO)C(C)C)c1cccc([N+](=O)[O-])c1	ZINC000079037123	185147948	/nfs/dbraw/zinc/14/79/48/185147948.db2.gz	RJYYUPJKMVBTMH-UONOGXRCSA-N	0	0	309.366	2.362	10	5		DEBERN
CCc1nc(NC(=O)c2nn(CC)cc2[N+](=O)[O-])sc1C	ZINC000191540857	529744294	/nfs/dbraw/zinc/74/42/94/529744294.db2.gz	LHNGMIOKLTVSLB-UHFFFAOYSA-N	0	0	309.351	2.391	10	5		DEBERN
CCOc1ccc(C(=O)N2CC[C@@H](C)[C@@H](OC)C2)cc1[N+](=O)[O-]	ZINC000187849445	282292247	/nfs/dbraw/zinc/29/22/47/282292247.db2.gz	IXBFOSAKLSOAIE-ABAIWWIYSA-N	0	0	322.361	2.491	10	5		DEBERN
CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)C	ZINC000050637670	190680289	/nfs/dbraw/zinc/68/02/89/190680289.db2.gz	MRWRQBVUXMMEKF-UHFFFAOYSA-N	0	0	315.395	2.351	10	5		DEBERN
CC(=O)c1cc(N2CCC(C(=O)N(C)C)CC2)ccc1[N+](=O)[O-]	ZINC000286902667	219217578	/nfs/dbraw/zinc/21/75/78/219217578.db2.gz	JUNBHVYJDJMSMM-UHFFFAOYSA-N	0	0	319.361	2.102	10	5		DEBERN
C[C@H](C(=O)NC1CCCCC1)n1cc(Cl)c([N+](=O)[O-])n1	ZINC000070218107	190873378	/nfs/dbraw/zinc/87/33/78/190873378.db2.gz	GDLQUBGMZKLZRM-MRVPVSSYSA-N	0	0	300.746	2.455	10	5		DEBERN
CC1(CNS(=O)(=O)c2cccc(N)c2[N+](=O)[O-])CCCC1	ZINC000127005965	185911857	/nfs/dbraw/zinc/91/18/57/185911857.db2.gz	TWMCFYIRSZWFGQ-UHFFFAOYSA-N	0	0	313.379	2.036	10	5		DEBERN
CS(=O)(=O)c1cccc(Oc2cccc(N)c2[N+](=O)[O-])c1	ZINC000147727182	186041455	/nfs/dbraw/zinc/04/14/55/186041455.db2.gz	WTULAQHVOXBGDJ-UHFFFAOYSA-N	0	0	308.315	2.373	10	5		DEBERN
O=[N+]([O-])c1cccc(-c2nc(I)no2)c1	ZINC000163896776	186141370	/nfs/dbraw/zinc/14/13/70/186141370.db2.gz	QGRLIEVUUZFJEL-UHFFFAOYSA-N	0	0	317.042	2.249	10	5		DEBERN
CO[C@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[C@@H]1C	ZINC000188037000	186247593	/nfs/dbraw/zinc/24/75/93/186247593.db2.gz	ORXGGQCAARLNFX-WFASDCNBSA-N	0	0	321.377	2.280	10	5		DEBERN
COC(C)(C)C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-]	ZINC000172478466	198102931	/nfs/dbraw/zinc/10/29/31/198102931.db2.gz	SYEYBTKIYRDBNJ-UHFFFAOYSA-N	0	0	309.366	2.246	10	5		DEBERN
Cc1nc2ccccc2n1S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000000287853	180749114	/nfs/dbraw/zinc/74/91/14/180749114.db2.gz	WATRXHCSXVHKEI-UHFFFAOYSA-N	0	0	317.326	2.490	10	5		DEBERN
O=C(Cc1cccc([N+](=O)[O-])c1)N1CCO[C@H]2CCCC[C@H]21	ZINC000172826946	198154722	/nfs/dbraw/zinc/15/47/22/198154722.db2.gz	HBRZZZRTZSNUJY-CABCVRRESA-N	0	0	304.346	2.307	10	5		DEBERN
Cc1csc(N2CCCN(c3ncccc3[N+](=O)[O-])CC2)n1	ZINC000057148358	354558241	/nfs/dbraw/zinc/55/82/41/354558241.db2.gz	DVMAJSCCWWBLIP-UHFFFAOYSA-N	0	0	319.390	2.471	10	5		DEBERN
Cc1cc(N2CCC(OC3CCOCC3)CC2)ncc1[N+](=O)[O-]	ZINC000074765144	355047294	/nfs/dbraw/zinc/04/72/94/355047294.db2.gz	BBQDWGWMNSOPHM-UHFFFAOYSA-N	0	0	321.377	2.463	10	5		DEBERN
Cn1ncnc1CNc1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000078677265	355274047	/nfs/dbraw/zinc/27/40/47/355274047.db2.gz	SCIFONLXUPQKLI-UHFFFAOYSA-N	0	0	301.228	2.354	10	5		DEBERN
O=[N+]([O-])c1cnc(N2CC[C@](O)(C(F)(F)F)C2)c(Cl)c1	ZINC000078299913	355252512	/nfs/dbraw/zinc/25/25/12/355252512.db2.gz	NWRPAMRRNUXETG-SECBINFHSA-N	0	0	311.647	2.147	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H](C)[C@@H](O)C1	ZINC000089406375	355530290	/nfs/dbraw/zinc/53/02/90/355530290.db2.gz	UVMPQUATHXKCKI-RNCFNFMXSA-N	0	0	306.362	2.363	10	5		DEBERN
Cc1ccnc(Nc2ccc3n[nH]c(C(N)=O)c3c2)c1[N+](=O)[O-]	ZINC000089651853	355539513	/nfs/dbraw/zinc/53/95/13/355539513.db2.gz	KQMUOBZHCHBSJV-UHFFFAOYSA-N	0	0	312.289	2.017	10	5		DEBERN
O=c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1Cc1ccncc1	ZINC000005380882	181237439	/nfs/dbraw/zinc/23/74/39/181237439.db2.gz	XSBWKCRQGQKYSV-UHFFFAOYSA-N	0	0	308.297	2.262	10	5		DEBERN
COC(=O)c1cncc(NCc2ccc(OC)c([N+](=O)[O-])c2)c1	ZINC000182215350	356114164	/nfs/dbraw/zinc/11/41/64/356114164.db2.gz	LENHPJXEAOJDLN-UHFFFAOYSA-N	0	0	317.301	2.397	10	5		DEBERN
Cc1cc(NC(=O)N(C)CC(=O)NC(C)(C)C)ccc1[N+](=O)[O-]	ZINC000193611329	356228253	/nfs/dbraw/zinc/22/82/53/356228253.db2.gz	XYTJBPFVIRHNRJ-UHFFFAOYSA-N	0	0	322.365	2.282	10	5		DEBERN
Cc1nc2c([nH]1)C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC2	ZINC000220591986	356274427	/nfs/dbraw/zinc/27/44/27/356274427.db2.gz	AHYASWAMKAOASI-SNVBAGLBSA-N	0	0	300.318	2.370	10	5		DEBERN
Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3CCC(C)(C)O3)n2)n1C	ZINC000350263624	356517824	/nfs/dbraw/zinc/51/78/24/356517824.db2.gz	IXDJKDXTLSVJOS-QMMMGPOBSA-N	0	0	307.310	2.317	10	5		DEBERN
C[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@@H](C)S1=O	ZINC000589865061	357501753	/nfs/dbraw/zinc/50/17/53/357501753.db2.gz	OOGBVYGDOXTQRO-GHMZBOCLSA-N	0	0	319.386	2.489	10	5		DEBERN
CC(=O)N1CC[C@@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1	ZINC000596235178	358648039	/nfs/dbraw/zinc/64/80/39/358648039.db2.gz	SNUIHKVLBMGJBO-LBPRGKRZSA-N	0	0	314.345	2.423	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@H]1c1nc[nH]n1	ZINC000181196187	199263694	/nfs/dbraw/zinc/26/36/94/199263694.db2.gz	SNFSPCKPCJJIGL-ZDUSSCGKSA-N	0	0	315.333	2.389	10	5		DEBERN
COCCCCS(=O)(=O)Oc1cccc(C)c1[N+](=O)[O-]	ZINC000185512273	199861334	/nfs/dbraw/zinc/86/13/34/199861334.db2.gz	DPQSWMOGSJXKEJ-UHFFFAOYSA-N	0	0	303.336	2.038	10	5		DEBERN
CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@H](C)C1	ZINC000187036226	200050609	/nfs/dbraw/zinc/05/06/09/200050609.db2.gz	QCJWQPDELHRDGP-RISCZKNCSA-N	0	0	321.377	2.103	10	5		DEBERN
O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(O)c1	ZINC000444637970	238215510	/nfs/dbraw/zinc/21/55/10/238215510.db2.gz	SXDYPVYVMJVITC-UHFFFAOYSA-N	0	0	312.285	2.107	10	5		DEBERN
Cc1csc([C@H]2CCCN(c3c([N+](=O)[O-])ncn3C)C2)n1	ZINC000604551228	360916974	/nfs/dbraw/zinc/91/69/74/360916974.db2.gz	FWSZAORUIYCIKH-JTQLQIEISA-N	0	0	307.379	2.477	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1CNC(=O)c1c[nH]nc1C(C)C	ZINC000193441501	201051943	/nfs/dbraw/zinc/05/19/43/201051943.db2.gz	QLODISULWUHJPD-UHFFFAOYSA-N	0	0	318.333	2.380	10	5		DEBERN
CC(C)c1n[nH]cc1C(=O)NCCc1ccc([N+](=O)[O-])cc1	ZINC000193450820	201052936	/nfs/dbraw/zinc/05/29/36/201052936.db2.gz	ZDHQZXIJYBFAPG-UHFFFAOYSA-N	0	0	302.334	2.414	10	5		DEBERN
Nc1ccc([N+](=O)[O-])c(N2C[C@@H](c3ccsc3)[C@H](CO)C2)c1	ZINC000193516645	201068346	/nfs/dbraw/zinc/06/83/46/201068346.db2.gz	SSXYAYFCFCEORB-AAEUAGOBSA-N	0	0	319.386	2.451	10	5		DEBERN
O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cnccn1	ZINC000006335431	181330941	/nfs/dbraw/zinc/33/09/41/181330941.db2.gz	UPVIRGATKDQATO-UHFFFAOYSA-N	0	0	301.287	2.247	10	5		DEBERN
CCOc1ccc(C(=O)N2CCC(=O)[C@H](C)C2)cc1[N+](=O)[O-]	ZINC000193926837	201146469	/nfs/dbraw/zinc/14/64/69/201146469.db2.gz	PUSULTWYQCKYRU-SNVBAGLBSA-N	0	0	306.318	2.045	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC(=O)N(C(C)(C)C)C2)n1	ZINC000611616769	361645300	/nfs/dbraw/zinc/64/53/00/361645300.db2.gz	LTXAOUAJRRHFAQ-NSHDSACASA-N	0	0	306.366	2.418	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(NCCN2CCOCC2(C)C)n1	ZINC000611616191	361645533	/nfs/dbraw/zinc/64/55/33/361645533.db2.gz	TVHFYSCURLTXAM-UHFFFAOYSA-N	0	0	308.382	2.129	10	5		DEBERN
O=C(C1CC1)[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1	ZINC000619781695	363875803	/nfs/dbraw/zinc/87/58/03/363875803.db2.gz	DXGIPZRINKXDEK-CQSZACIVSA-N	0	0	324.764	2.428	10	5		DEBERN
CC[C@@H](C)CN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N	ZINC000093265233	193223153	/nfs/dbraw/zinc/22/31/53/193223153.db2.gz	NZOIERRVEXDPEW-SNVBAGLBSA-N	0	0	315.395	2.234	10	5		DEBERN
CCOC(CNCc1cc([N+](=O)[O-])c(F)cc1F)OCC	ZINC000093447359	193252994	/nfs/dbraw/zinc/25/29/94/193252994.db2.gz	ZLISDWQOEWHCFD-UHFFFAOYSA-N	0	0	304.293	2.362	10	5		DEBERN
CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(NC)cc1C	ZINC000094780423	193397867	/nfs/dbraw/zinc/39/78/67/193397867.db2.gz	ACHYSYANCPWDGN-SECBINFHSA-N	0	0	301.368	2.022	10	5		DEBERN
CNc1cc(C)c(S(=O)(=O)NCC(C)(C)C)cc1[N+](=O)[O-]	ZINC000094780570	193397886	/nfs/dbraw/zinc/39/78/86/193397886.db2.gz	XSEHDIRJBKRTRE-UHFFFAOYSA-N	0	0	315.395	2.269	10	5		DEBERN
CCC(C)(C)NS(=O)(=O)c1cc([N+](=O)[O-])c(NC)cc1C	ZINC000094780400	193398140	/nfs/dbraw/zinc/39/81/40/193398140.db2.gz	WSYRXQFPTJBPCG-UHFFFAOYSA-N	0	0	315.395	2.412	10	5		DEBERN
CNc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC(C)(C)C2)c1	ZINC000094810476	193399741	/nfs/dbraw/zinc/39/97/41/193399741.db2.gz	FTXICYWDYLYXBN-UHFFFAOYSA-N	0	0	313.379	2.057	10	5		DEBERN
CN1CCN(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000096464629	193658476	/nfs/dbraw/zinc/65/84/76/193658476.db2.gz	CNMLTUPWNZWGHM-UHFFFAOYSA-N	0	0	304.272	2.188	10	5		DEBERN
CCn1nc(C)cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000013656626	181875164	/nfs/dbraw/zinc/87/51/64/181875164.db2.gz	YYJBWIRXVAQMCK-UHFFFAOYSA-N	0	0	319.277	2.280	10	5		DEBERN
Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-]	ZINC000017325882	182083541	/nfs/dbraw/zinc/08/35/41/182083541.db2.gz	BPZZCJIZNYQMOD-RKDXNWHRSA-N	0	0	323.305	2.061	10	5		DEBERN
C[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)c1cccc(Cl)c1	ZINC000160294796	197398119	/nfs/dbraw/zinc/39/81/19/197398119.db2.gz	YNQNJTTYIVAYJR-QMMMGPOBSA-N	0	0	308.725	2.473	10	5		DEBERN
CC1(C)SC[C@@H]1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F	ZINC000283712085	217730956	/nfs/dbraw/zinc/73/09/56/217730956.db2.gz	YTNYUIFFPOAGNO-JTQLQIEISA-N	0	0	302.302	2.497	10	5		DEBERN
CCOc1ccc(C(=O)N[C@H](C)c2ccn(C)n2)cc1[N+](=O)[O-]	ZINC000458298413	248251973	/nfs/dbraw/zinc/25/19/73/248251973.db2.gz	MONZGFWFWPZROQ-SNVBAGLBSA-N	0	0	318.333	2.218	10	5		DEBERN
C[C@@H](C(=O)NC(C)(C)C)n1cc(Br)c([N+](=O)[O-])n1	ZINC000040517322	183089606	/nfs/dbraw/zinc/08/96/06/183089606.db2.gz	FKPMHFQYITWRFK-LURJTMIESA-N	0	0	319.159	2.030	10	5		DEBERN
COc1ccccc1Oc1ncnc(-n2ccnc2)c1[N+](=O)[O-]	ZINC000040661620	183114819	/nfs/dbraw/zinc/11/48/19/183114819.db2.gz	XOTXVJDBUMNABQ-UHFFFAOYSA-N	0	0	313.273	2.371	10	5		DEBERN
O=C(Nc1ncc([N+](=O)[O-])s1)c1cc([N+](=O)[O-])ccc1F	ZINC000040690645	183118390	/nfs/dbraw/zinc/11/83/90/183118390.db2.gz	CNXQDOBKSXDLBS-UHFFFAOYSA-N	0	0	312.238	2.351	10	5		DEBERN
CCOC(=O)c1ccc(Nc2ncnc(NC)c2[N+](=O)[O-])cc1	ZINC000040595707	183106423	/nfs/dbraw/zinc/10/64/23/183106423.db2.gz	WEYQGGSJZJKVOK-UHFFFAOYSA-N	0	0	317.305	2.347	10	5		DEBERN
COc1ccc(C[S@](=O)c2ccc(N)cc2)cc1[N+](=O)[O-]	ZINC000042197172	183241105	/nfs/dbraw/zinc/24/11/05/183241105.db2.gz	ZNHVDMMIHIASID-OAQYLSRUSA-N	0	0	306.343	2.493	10	5		DEBERN
COC(=O)[C@@H](C)NC(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1	ZINC000042272806	183249197	/nfs/dbraw/zinc/24/91/97/183249197.db2.gz	YJEAFKJWCADZTH-RXMQYKEDSA-N	0	0	321.116	2.193	10	5		DEBERN
O=C(CCCO)Nc1cc([N+](=O)[O-])ccc1Br	ZINC000159528685	197360616	/nfs/dbraw/zinc/36/06/16/197360616.db2.gz	UEIVPWGGXWTFNR-UHFFFAOYSA-N	0	0	303.112	2.068	10	5		DEBERN
Cc1c(CN2CCO[C@@H](Cn3cccn3)C2)cccc1[N+](=O)[O-]	ZINC000105890324	194159565	/nfs/dbraw/zinc/15/95/65/194159565.db2.gz	SRSIXGPKGQBSSS-OAHLLOKOSA-N	0	0	316.361	2.001	10	5		DEBERN
CCNc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@@H](C)CC	ZINC000050651299	183794277	/nfs/dbraw/zinc/79/42/77/183794277.db2.gz	XLYJUCBSFOWZHM-JTQLQIEISA-N	0	0	315.395	2.446	10	5		DEBERN
CCC(C)(C)NC(=O)c1cc(Cl)c(NN)c([N+](=O)[O-])c1	ZINC000051095299	183814943	/nfs/dbraw/zinc/81/49/43/183814943.db2.gz	VBKOEOFDMQUNPM-UHFFFAOYSA-N	0	0	300.746	2.452	10	5		DEBERN
Cc1nc(Cc2noc(-c3cc([N+](=O)[O-])c(C)s3)n2)no1	ZINC000109509753	194270114	/nfs/dbraw/zinc/27/01/14/194270114.db2.gz	DMUJAMSTZXNRSG-UHFFFAOYSA-N	0	0	307.291	2.297	10	5		DEBERN
COC(=O)[C@H](COc1cc(Cl)ccc1[N+](=O)[O-])NC(C)C	ZINC000051625808	183832082	/nfs/dbraw/zinc/83/20/82/183832082.db2.gz	LXGINPULANIXKH-JTQLQIEISA-N	0	0	316.741	2.167	10	5		DEBERN
Cc1nn(C)c(C(=O)NC[C@H]2C[C@H]2c2ccccc2)c1[N+](=O)[O-]	ZINC000110440584	194330701	/nfs/dbraw/zinc/33/07/01/194330701.db2.gz	JCWWQWSLCUWUNI-OLZOCXBDSA-N	0	0	314.345	2.170	10	5		DEBERN
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc2c(c1)OCO2	ZINC000059487156	184138769	/nfs/dbraw/zinc/13/87/69/184138769.db2.gz	WBXBXKBTKRKQKV-UHFFFAOYSA-N	0	0	312.237	2.124	10	5		DEBERN
CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)nn1	ZINC000061978192	184199183	/nfs/dbraw/zinc/19/91/83/184199183.db2.gz	LANKRBBYEHMHRQ-UHFFFAOYSA-N	0	0	318.289	2.044	10	5		DEBERN
Cc1cc(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)[nH]1	ZINC000062576700	184243819	/nfs/dbraw/zinc/24/38/19/184243819.db2.gz	VYMZIOCHMHMOJP-UHFFFAOYSA-N	0	0	323.374	2.061	10	5		DEBERN
COC(=O)[C@@H](CCSc1ccc([N+](=O)[O-])cc1)NC1CC1	ZINC000062596633	184244991	/nfs/dbraw/zinc/24/49/91/184244991.db2.gz	VZMNRPKGTAFAGO-CYBMUJFWSA-N	0	0	310.375	2.371	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cccs2)s1	ZINC000064241693	184293423	/nfs/dbraw/zinc/29/34/23/184293423.db2.gz	RGJKLKSLDOEYJU-UHFFFAOYSA-N	0	0	304.374	2.196	10	5		DEBERN
C[C@@H]1C[C@H]1CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000159081622	197325422	/nfs/dbraw/zinc/32/54/22/197325422.db2.gz	NSJQTQSFNDBPLQ-SFYZADRCSA-N	0	0	304.755	2.183	10	5		DEBERN
COC(=O)c1ccnc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1	ZINC000114444120	194656513	/nfs/dbraw/zinc/65/65/13/194656513.db2.gz	QAENGQPYTLWSNF-UHFFFAOYSA-N	0	0	315.285	2.337	10	5		DEBERN
C/C=C/CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000114743944	194688979	/nfs/dbraw/zinc/68/89/79/194688979.db2.gz	JVYKNWZICPGRIU-NSCUHMNNSA-N	0	0	304.755	2.493	10	5		DEBERN
CCC1(O)CN(c2cc(Br)c(F)cc2[N+](=O)[O-])C1	ZINC000158794826	197302115	/nfs/dbraw/zinc/30/21/15/197302115.db2.gz	SHNYHPLKQWMHAJ-UHFFFAOYSA-N	0	0	319.130	2.458	10	5		DEBERN
C[C@@H](O)C(C)(C)Nc1ncc([N+](=O)[O-])cc1Br	ZINC000158789844	197301824	/nfs/dbraw/zinc/30/18/24/197301824.db2.gz	RXXDBNYWPGEOFU-ZCFIWIBFSA-N	0	0	304.144	2.324	10	5		DEBERN
CCO[C@@H]1C[C@@H](Nc2cc([N+](=O)[O-])c(F)cc2F)[C@@H]1OC	ZINC000157090564	197160951	/nfs/dbraw/zinc/16/09/51/197160951.db2.gz	SINWQJSYNRHCLP-RTXFEEFZSA-N	0	0	302.277	2.477	10	5		DEBERN
CCNc1nnc(Cn2ncc3ccc([N+](=O)[O-])cc32)s1	ZINC000157063156	197159334	/nfs/dbraw/zinc/15/93/34/197159334.db2.gz	POJMKVJJUICUTR-UHFFFAOYSA-N	0	0	304.335	2.276	10	5		DEBERN
CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H](C)CO	ZINC000156837470	197143901	/nfs/dbraw/zinc/14/39/01/197143901.db2.gz	LWTCKPFWHSPVKY-ZJUUUORDSA-N	0	0	312.391	2.454	10	5		DEBERN
CNC(=O)c1cc([N+](=O)[O-])ccc1NCCOCC1CCC1	ZINC000558650622	291898363	/nfs/dbraw/zinc/89/83/63/291898363.db2.gz	CJSDDYQQEPAHMB-UHFFFAOYSA-N	0	0	307.350	2.183	10	5		DEBERN
COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)[C@@H]1CCCO1	ZINC000156112700	197087585	/nfs/dbraw/zinc/08/75/85/197087585.db2.gz	NTVSMUUJXRENQU-SKDRFNHKSA-N	0	0	309.322	2.292	10	5		DEBERN
C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCCO1	ZINC000152879508	196831869	/nfs/dbraw/zinc/83/18/69/196831869.db2.gz	JBFWCRLOXLYNJT-BMIGLBTASA-N	0	0	317.345	2.302	10	5		DEBERN
CNc1sc(S(=O)(=O)N[C@@H](C)CC2CC2)cc1[N+](=O)[O-]	ZINC000125605254	195768163	/nfs/dbraw/zinc/76/81/63/195768163.db2.gz	JIWXPXFODSLNDZ-ZETCQYMHSA-N	0	0	319.408	2.165	10	5		DEBERN
COC(=O)[C@]12CCC[C@@H]1CN(c1ccc([N+](=O)[O-])c(C)n1)C2	ZINC000302156124	533638231	/nfs/dbraw/zinc/63/82/31/533638231.db2.gz	IVACQZVSQQKDIV-ABAIWWIYSA-N	0	0	305.334	2.078	10	5		DEBERN
COC(=O)[C@]12CCC[C@@H]1CN(c1cc(C)c([N+](=O)[O-])cn1)C2	ZINC000302163737	533639531	/nfs/dbraw/zinc/63/95/31/533639531.db2.gz	KIYWMMCDDFIGGO-ABAIWWIYSA-N	0	0	305.334	2.078	10	5		DEBERN
CC[C@H](C)[C@@H](C)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000362611008	133241431	/nfs/dbraw/zinc/24/14/31/133241431.db2.gz	PNQYJPNZYGPXKE-WDEREUQCSA-N	0	0	322.361	2.459	10	5		DEBERN
O=[N+]([O-])c1ccc(CO)cc1N1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000302025147	296504385	/nfs/dbraw/zinc/50/43/85/296504385.db2.gz	HLGJQAYOVXSTDO-CZUORRHYSA-N	0	0	306.362	2.219	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NCCC[C@H]1CCCCO1	ZINC000183422882	144928912	/nfs/dbraw/zinc/92/89/12/144928912.db2.gz	GYTAOGYACQBRMI-CYBMUJFWSA-N	0	0	307.350	2.377	10	5		DEBERN
Cc1cccc(NCc2cccnc2-n2cncn2)c1[N+](=O)[O-]	ZINC000188358845	145011289	/nfs/dbraw/zinc/01/12/89/145011289.db2.gz	JUWRLBPZDODILU-UHFFFAOYSA-N	0	0	310.317	2.491	10	5		DEBERN
Cc1cc(N2CCN(Cc3ccc([N+](=O)[O-])cc3C)CC2)n[nH]1	ZINC000189023704	145020885	/nfs/dbraw/zinc/02/08/85/145020885.db2.gz	NJCILRLQVVZBJR-UHFFFAOYSA-N	0	0	315.377	2.257	10	5		DEBERN
O=C([O-])[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C(F)(F)F	ZINC000263072431	145322865	/nfs/dbraw/zinc/32/28/65/145322865.db2.gz	WSZLJADUIWEWEX-GHMZBOCLSA-N	0	0	318.251	2.290	10	5		DEBERN
CC(=O)C[C@@H](C)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1	ZINC000359402560	147321462	/nfs/dbraw/zinc/32/14/62/147321462.db2.gz	SEIIADIAGRNDGC-SSDOTTSWSA-N	0	0	316.260	2.294	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1=O	ZINC000127188430	401723581	/nfs/dbraw/zinc/72/35/81/401723581.db2.gz	CNGVWTYEAAXPDF-SCDSUCTJSA-N	0	0	321.377	2.006	10	5		DEBERN
N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccccc1	ZINC000002045191	401711534	/nfs/dbraw/zinc/71/15/34/401711534.db2.gz	YYVFUPWYAZEXQN-HNNXBMFYSA-N	0	0	300.314	2.208	10	5		DEBERN
C[C@H](CS(C)(=O)=O)N(Cc1csc([N+](=O)[O-])c1)C1CC1	ZINC000113263130	401773347	/nfs/dbraw/zinc/77/33/47/401773347.db2.gz	CZTDURVYSDWVMX-SECBINFHSA-N	0	0	318.420	2.054	10	5		DEBERN
COc1cc(O)c2c(c1)oc1cc(O)c(OC)c(O)c1c2=O	ZINC000014648904	401812551	/nfs/dbraw/zinc/81/25/51/401812551.db2.gz	WWLABYIROBORPO-UHFFFAOYSA-N	0	0	304.254	2.080	10	5		DEBERN
COCCCCS(=O)(=O)Oc1ccc([N+](=O)[O-])c(C)c1	ZINC000132924617	401876248	/nfs/dbraw/zinc/87/62/48/401876248.db2.gz	LNQCUVOJFWZHCP-UHFFFAOYSA-N	0	0	303.336	2.038	10	5		DEBERN
CC(=O)c1cnc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)s1	ZINC000118685205	401904461	/nfs/dbraw/zinc/90/44/61/401904461.db2.gz	UXSNYRWBTGXUBF-UHFFFAOYSA-N	0	0	305.315	2.435	10	5		DEBERN
O=C(Cn1cnc([N+](=O)[O-])c1)c1cccc(Br)c1	ZINC000055483519	402083253	/nfs/dbraw/zinc/08/32/53/402083253.db2.gz	JMNUPDPCKAJYCC-UHFFFAOYSA-N	0	0	310.107	2.437	10	5		DEBERN
Cc1c(CC(=O)NC[C@@H]2CCCC[C@@H]2O)cccc1[N+](=O)[O-]	ZINC000125025797	402209870	/nfs/dbraw/zinc/20/98/70/402209870.db2.gz	YTFZRTHULNCUGQ-ZFWWWQNUSA-N	0	0	306.362	2.113	10	5		DEBERN
C[C@@H](C(=O)OC(C)(C)C)N(C)C[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC000154401243	402210638	/nfs/dbraw/zinc/21/06/38/402210638.db2.gz	RZSNDYVNSDGKTJ-FZMZJTMJSA-N	0	0	324.377	2.290	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](CO)c1ccccc1	ZINC000176479367	402313253	/nfs/dbraw/zinc/31/32/53/402313253.db2.gz	QOKKJTQIBATEAE-CQSZACIVSA-N	0	0	314.341	2.409	10	5		DEBERN
CC[C@@H]1CCN(S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)C1	ZINC000185123116	402326394	/nfs/dbraw/zinc/32/63/94/402326394.db2.gz	RKIPUPMNUNHWDG-SNVBAGLBSA-N	0	0	316.354	2.463	10	5		DEBERN
COc1cccc(N2CCC(n3cncn3)CC2)c1[N+](=O)[O-]	ZINC000185300996	402342236	/nfs/dbraw/zinc/34/22/36/402342236.db2.gz	WJXXFPWEDYTHNA-UHFFFAOYSA-N	0	0	303.322	2.036	10	5		DEBERN
CCOC(=O)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000160489214	402347378	/nfs/dbraw/zinc/34/73/78/402347378.db2.gz	OCUXPXMEDZVETN-ZETCQYMHSA-N	0	0	300.336	2.036	10	5		DEBERN
O=C(CCNc1ncc([N+](=O)[O-])cc1Cl)N1CCCCC1	ZINC000227649674	402332506	/nfs/dbraw/zinc/33/25/06/402332506.db2.gz	UXLKFPIMYYQTFX-UHFFFAOYSA-N	0	0	312.757	2.458	10	5		DEBERN
C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCC1=O	ZINC000186567350	402442404	/nfs/dbraw/zinc/44/24/04/402442404.db2.gz	GNAIHJYDCDRBRQ-SECBINFHSA-N	0	0	310.737	2.228	10	5		DEBERN
CSCCCCCNS(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000185974540	402394019	/nfs/dbraw/zinc/39/40/19/402394019.db2.gz	MPDUQOPXGHKIDX-UHFFFAOYSA-N	0	0	324.449	2.468	10	5		DEBERN
CO[C@@H]1C[C@@H](c2nc(C)no2)N(c2ccc([N+](=O)[O-])cc2F)C1	ZINC000190086048	402575201	/nfs/dbraw/zinc/57/52/01/402575201.db2.gz	WNGPZPOYWJFTCK-MFKMUULPSA-N	0	0	322.296	2.392	10	5		DEBERN
CCc1n[nH]c(C(=O)N[C@H]2CCOc3ccccc32)c1[N+](=O)[O-]	ZINC000171368409	402581374	/nfs/dbraw/zinc/58/13/74/402581374.db2.gz	TYGFZVHUCBWZOI-NSHDSACASA-N	0	0	316.317	2.134	10	5		DEBERN
CCOc1ccc(C(=O)N[C@H]2CCCC[C@@H]2CO)cc1[N+](=O)[O-]	ZINC000179242351	402582696	/nfs/dbraw/zinc/58/26/96/402582696.db2.gz	BFQNOTQFINKXKV-OLZOCXBDSA-N	0	0	322.361	2.274	10	5		DEBERN
CCc1nnc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)n1C	ZINC000179240556	402582775	/nfs/dbraw/zinc/58/27/75/402582775.db2.gz	BNOWJZIIHCHLBA-UHFFFAOYSA-N	0	0	315.377	2.450	10	5		DEBERN
C[C@H](NC(=O)N1CCN(C2CC2)CC1)c1cccc([N+](=O)[O-])c1	ZINC000171643319	402605192	/nfs/dbraw/zinc/60/51/92/402605192.db2.gz	JYMJSEMSNQLGHZ-LBPRGKRZSA-N	0	0	318.377	2.145	10	5		DEBERN
CC[C@H](NCc1nnnn1C(C)C)c1cccc([N+](=O)[O-])c1	ZINC000181562252	402649749	/nfs/dbraw/zinc/64/97/49/402649749.db2.gz	XKBXBTYVXDNYIC-ZDUSSCGKSA-N	0	0	304.354	2.403	10	5		DEBERN
C[C@@H]1CC(O)C[C@@H](C)N1Cc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000191286775	402657755	/nfs/dbraw/zinc/65/77/55/402657755.db2.gz	RWYRBXZASSEQIO-GHMZBOCLSA-N	0	0	322.361	2.195	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2CC[C@@H](O)[C@H]2C1	ZINC000252851390	402661341	/nfs/dbraw/zinc/66/13/41/402661341.db2.gz	FQZALDIMVNSIMR-LJUAHTATSA-N	0	0	310.737	2.091	10	5		DEBERN
CO[C@@H]1CN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@H]1C	ZINC000253339785	402662281	/nfs/dbraw/zinc/66/22/81/402662281.db2.gz	ANQPOUNDEGHAIU-TYNCELHUSA-N	0	0	321.377	2.279	10	5		DEBERN
C[C@@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCCO1	ZINC000183120419	402740696	/nfs/dbraw/zinc/74/06/96/402740696.db2.gz	LKQMMIWHROCUNH-ZWNOBZJWSA-N	0	0	318.333	2.302	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1CN1CCOC2(CCOCC2)C1	ZINC000183391556	402762710	/nfs/dbraw/zinc/76/27/10/402762710.db2.gz	XZXXMFBCQAXCID-UHFFFAOYSA-N	0	0	306.362	2.285	10	5		DEBERN
Nc1ccc([N+](=O)[O-])c(N2CCC(Cn3cccn3)CC2)c1	ZINC000193414751	402770786	/nfs/dbraw/zinc/77/07/86/402770786.db2.gz	WDNKKBDZIPNXFN-UHFFFAOYSA-N	0	0	301.350	2.290	10	5		DEBERN
CCOc1ccc([N+](=O)[O-])cc1CN(C)CC(=O)NC(C)(C)C	ZINC000175067337	402775787	/nfs/dbraw/zinc/77/57/87/402775787.db2.gz	CBKYGLCWTAEKCT-UHFFFAOYSA-N	0	0	323.393	2.340	10	5		DEBERN
CC(C)[C@H]1C[C@@H]1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000184195789	402826179	/nfs/dbraw/zinc/82/61/79/402826179.db2.gz	ORGVMBFWSNFNOT-OLZOCXBDSA-N	0	0	306.318	2.369	10	5		DEBERN
CC(C)c1nnc2n1C[C@@H](Nc1ccc([N+](=O)[O-])cn1)CC2	ZINC000195314459	402841553	/nfs/dbraw/zinc/84/15/53/402841553.db2.gz	RLAHJGRAUGJXIO-JTQLQIEISA-N	0	0	302.338	2.132	10	5		DEBERN
O=[N+]([O-])c1c(N2CCC(c3cc[nH]n3)CC2)nc2sccn21	ZINC000195498629	402847552	/nfs/dbraw/zinc/84/75/52/402847552.db2.gz	IYZQVKIFINPVED-UHFFFAOYSA-N	0	0	318.362	2.411	10	5		DEBERN
COc1ccccc1CNC(=O)c1cc([N+](=O)[O-])cnc1C	ZINC000195524172	402850559	/nfs/dbraw/zinc/85/05/59/402850559.db2.gz	OZXBVUYYRPKNNK-UHFFFAOYSA-N	0	0	301.302	2.237	10	5		DEBERN
CSc1nsc(NC(=O)c2cc([N+](=O)[O-])cnc2C)n1	ZINC000195524189	402850712	/nfs/dbraw/zinc/85/07/12/402850712.db2.gz	VXFZTMZUXWOLKS-UHFFFAOYSA-N	0	0	311.348	2.124	10	5		DEBERN
Cc1cc(N2CCCN(c3cccnn3)CC2)ccc1[N+](=O)[O-]	ZINC000265848961	402956311	/nfs/dbraw/zinc/95/63/11/402956311.db2.gz	UWUYBCGRMCWJMG-UHFFFAOYSA-N	0	0	313.361	2.410	10	5		DEBERN
Cc1nc(C[C@@H]2CCCN(c3cc(C)c([N+](=O)[O-])cn3)C2)no1	ZINC000266796914	402992278	/nfs/dbraw/zinc/99/22/78/402992278.db2.gz	AXBYQTVRHRDKJP-LBPRGKRZSA-N	0	0	317.349	2.449	10	5		DEBERN
COCc1cc([N+](=O)[O-])ccc1N1CC[C@@](O)(C(F)(F)F)C1	ZINC000267004654	403007485	/nfs/dbraw/zinc/00/74/85/403007485.db2.gz	GLUGWEOXFUKREM-LBPRGKRZSA-N	0	0	320.267	2.245	10	5		DEBERN
Cn1cc([C@@]2(C)CN(c3ccc([N+](=O)[O-])cc3F)CCO2)cn1	ZINC000268410524	403080772	/nfs/dbraw/zinc/08/07/72/403080772.db2.gz	SVNDUNICFBRWIF-OAHLLOKOSA-N	0	0	320.324	2.219	10	5		DEBERN
COC(=O)c1cc(N2CCC[C@H](OC)C2)cc(C)c1[N+](=O)[O-]	ZINC000268486354	403087455	/nfs/dbraw/zinc/08/74/55/403087455.db2.gz	MSBQSVRHBKTPMQ-LBPRGKRZSA-N	0	0	308.334	2.305	10	5		DEBERN
CC(=O)c1cnc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])s1	ZINC000269473064	403142022	/nfs/dbraw/zinc/14/20/22/403142022.db2.gz	UVRFZIJRNCHZPR-UHFFFAOYSA-N	0	0	323.334	2.353	10	5		DEBERN
CN(CC1CC(O)C1)c1ccc([N+](=O)[O-])c(OC(F)F)c1	ZINC000276070992	403143873	/nfs/dbraw/zinc/14/38/73/403143873.db2.gz	SODXWSXFQGZPBO-UHFFFAOYSA-N	0	0	302.277	2.403	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](O)C12CCCC2	ZINC000293861499	403584635	/nfs/dbraw/zinc/58/46/35/403584635.db2.gz	GNZGROIADPHMPL-CQSZACIVSA-N	0	0	304.346	2.423	10	5		DEBERN
CC[C@H](Nc1ccc(C(=O)NC)cc1[N+](=O)[O-])c1noc(C)n1	ZINC000301469762	403633738	/nfs/dbraw/zinc/63/37/38/403633738.db2.gz	IIFNUELUHPPXCS-JTQLQIEISA-N	0	0	319.321	2.209	10	5		DEBERN
Cn1cnnc1[C@H]1CCCN(c2cc(F)ccc2[N+](=O)[O-])C1	ZINC000302822569	403730786	/nfs/dbraw/zinc/73/07/86/403730786.db2.gz	SODBTZJUSGXENJ-JTQLQIEISA-N	0	0	305.313	2.246	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCOCC[C@H]2C)c1	ZINC000374005559	292290781	/nfs/dbraw/zinc/29/07/81/292290781.db2.gz	IVBBOFJKSARHAR-CYBMUJFWSA-N	0	0	322.361	2.310	10	5		DEBERN
C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCN(C2CC2)C(=O)C1	ZINC000337474811	404048470	/nfs/dbraw/zinc/04/84/70/404048470.db2.gz	OPWYHGMBEKLUSK-UKTHLTGXSA-N	0	0	315.373	2.305	10	5		DEBERN
CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@](O)(C(F)(F)F)C1	ZINC000361001624	404874486	/nfs/dbraw/zinc/87/44/86/404874486.db2.gz	HYLKZDYHZXWGEL-LBPRGKRZSA-N	0	0	318.251	2.301	10	5		DEBERN
CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](CO)c1ccccc1	ZINC000361003358	404874518	/nfs/dbraw/zinc/87/45/18/404874518.db2.gz	SORBISCXFUBMOR-CYBMUJFWSA-N	0	0	304.350	2.308	10	5		DEBERN
Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O	ZINC000408034287	405093845	/nfs/dbraw/zinc/09/38/45/405093845.db2.gz	DNEWGUMLPUBGGK-ZOWXZIJZSA-N	0	0	308.382	2.238	10	5		DEBERN
C[C@@H]1CN(C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000408111761	405115047	/nfs/dbraw/zinc/11/50/47/405115047.db2.gz	DYKSLFCDMXNNFD-SECBINFHSA-N	0	0	312.757	2.416	10	5		DEBERN
O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCc2ncc([N+](=O)[O-])cc2C1	ZINC000408132030	405118944	/nfs/dbraw/zinc/11/89/44/405118944.db2.gz	IHFZCSCJXDKNOK-NHAGDIPZSA-N	0	0	301.346	2.311	10	5		DEBERN
CC(=O)N1CCC[C@@H]1C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C	ZINC000361533679	405119938	/nfs/dbraw/zinc/11/99/38/405119938.db2.gz	QDDADJHLIIJYMT-CYBMUJFWSA-N	0	0	305.334	2.161	10	5		DEBERN
CCC1(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CCOCC1	ZINC000408145393	405123834	/nfs/dbraw/zinc/12/38/34/405123834.db2.gz	SCQNVCVBIQENOV-UHFFFAOYSA-N	0	0	319.361	2.081	10	5		DEBERN
O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1[C@@H]2CC[C@H]1CC(=O)C2	ZINC000584029165	405808127	/nfs/dbraw/zinc/80/81/27/405808127.db2.gz	PDTNUCCMPQFKKX-DTORHVGOSA-N	0	0	324.283	2.138	10	5		DEBERN
CCOc1ccc(C(=O)NC[C@@H]2CC[C@H](C)O2)cc1[N+](=O)[O-]	ZINC000457463223	405851820	/nfs/dbraw/zinc/85/18/20/405851820.db2.gz	XQPDGBCONWTNMO-JQWIXIFHSA-N	0	0	308.334	2.291	10	5		DEBERN
O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCC12CCC2	ZINC000530724060	405851962	/nfs/dbraw/zinc/85/19/62/405851962.db2.gz	CCKRVGPEDYTFBA-UHFFFAOYSA-N	0	0	305.334	2.312	10	5		DEBERN
CC(C)(C)OC(=O)CCSc1ccc2ncc([N+](=O)[O-])n2n1	ZINC000450499308	405930624	/nfs/dbraw/zinc/93/06/24/405930624.db2.gz	JPXRXXUZVIPCRW-UHFFFAOYSA-N	0	0	324.362	2.461	10	5		DEBERN
COc1ccc(NC(=O)N[C@@H]2CC[C@@H](OC)C2)cc1[N+](=O)[O-]	ZINC000471948775	406131090	/nfs/dbraw/zinc/13/10/90/406131090.db2.gz	NBJOAEPMUWCWHQ-MWLCHTKSSA-N	0	0	309.322	2.292	10	5		DEBERN
C[C@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](C(=O)C2CC2)C1	ZINC000547842851	406453991	/nfs/dbraw/zinc/45/39/91/406453991.db2.gz	LLNDSWUYDKCRHG-IAQYHMDHSA-N	0	0	304.346	2.336	10	5		DEBERN
O=C([C@@H]1CCC[C@H](O)C1)N1CCc2c(cccc2[N+](=O)[O-])C1	ZINC000525892199	406516574	/nfs/dbraw/zinc/51/65/74/406516574.db2.gz	RRYQRESITIGOHL-YPMHNXCESA-N	0	0	304.346	2.031	10	5		DEBERN
CCOC(=O)Cc1cc([N+](=O)[O-])cc(OC)c1Br	ZINC000575699567	406820446	/nfs/dbraw/zinc/82/04/46/406820446.db2.gz	JDJZYXCRESEWMC-UHFFFAOYSA-N	0	0	318.123	2.472	10	5		DEBERN
COC(=O)Cc1c(OC)cc(Br)cc1[N+](=O)[O-]	ZINC000575713242	406822262	/nfs/dbraw/zinc/82/22/62/406822262.db2.gz	YFAUSGRLECWDGV-UHFFFAOYSA-N	0	0	304.096	2.081	10	5		DEBERN
O=C(N[C@@H]1CCCC[C@@H]1O)c1ccc(NC2CC2)c([N+](=O)[O-])c1	ZINC000130522603	196087515	/nfs/dbraw/zinc/08/75/15/196087515.db2.gz	VWLLWNHXUFPAIF-HIFRSBDPSA-N	0	0	319.361	2.202	10	5		DEBERN
CSCC[C@@H](C)Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	ZINC000131081928	196137480	/nfs/dbraw/zinc/13/74/80/196137480.db2.gz	HYQNQRZRAOWOEQ-MRVPVSSYSA-N	0	0	311.363	2.479	10	5		DEBERN
CCCNc1cc(S(=O)(=O)NCCC)ccc1[N+](=O)[O-]	ZINC000131693235	196191590	/nfs/dbraw/zinc/19/15/90/196191590.db2.gz	IJQVUUSZKHLTOU-UHFFFAOYSA-N	0	0	301.368	2.105	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[C@@H](C)C1	ZINC000132075970	196223623	/nfs/dbraw/zinc/22/36/23/196223623.db2.gz	KKBWVLSFSODCOL-NXEZZACHSA-N	0	0	314.363	2.070	10	5		DEBERN
CCCCN(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1	ZINC000132109109	196226647	/nfs/dbraw/zinc/22/66/47/196226647.db2.gz	BQCVYPPDBDSPIX-UHFFFAOYSA-N	0	0	313.379	2.130	10	5		DEBERN
O=C(N[C@H]1CC[C@H](CO)CC1)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000132503993	196260565	/nfs/dbraw/zinc/26/05/65/196260565.db2.gz	XYJYPQXDTSFUSP-PHIMTYICSA-N	0	0	317.345	2.357	10	5		DEBERN
CC[C@H](CCO)Nc1cc(C(=O)OC)c(F)cc1[N+](=O)[O-]	ZINC000134435838	196391207	/nfs/dbraw/zinc/39/12/07/196391207.db2.gz	RFHWVJKUWLGZFD-MRVPVSSYSA-N	0	0	300.286	2.093	10	5		DEBERN
C[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCCC1	ZINC000134589430	196404491	/nfs/dbraw/zinc/40/44/91/196404491.db2.gz	OOLZHUSYPRZMGG-SNVBAGLBSA-N	0	0	311.769	2.349	10	5		DEBERN
CC[C@H](O)CCNc1cc(C(=O)OC)c(F)cc1[N+](=O)[O-]	ZINC000135067518	196442407	/nfs/dbraw/zinc/44/24/07/196442407.db2.gz	UBDRRYXZQBZMGP-QMMMGPOBSA-N	0	0	300.286	2.093	10	5		DEBERN
COC[C@H](Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C(C)C	ZINC000137975136	196581896	/nfs/dbraw/zinc/58/18/96/196581896.db2.gz	POPRDIMBEHGAJC-NSHDSACASA-N	0	0	316.379	2.081	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N(C)c2ccc(Cl)cn2)n1	ZINC000191607232	225112867	/nfs/dbraw/zinc/11/28/67/225112867.db2.gz	BSOUPHMXHSQBCK-UHFFFAOYSA-N	0	0	309.713	2.136	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCC2(CCOC)CCCC2)n1	ZINC000191670696	225115446	/nfs/dbraw/zinc/11/54/46/225115446.db2.gz	INHQCDJCEMDVRL-UHFFFAOYSA-N	0	0	324.381	2.138	10	5		DEBERN
CN(C)C(=O)C1(CNc2cc(CO)ccc2[N+](=O)[O-])CCCC1	ZINC000302056280	230068283	/nfs/dbraw/zinc/06/82/83/230068283.db2.gz	QODNYWCPJBAIEJ-UHFFFAOYSA-N	0	0	321.377	2.148	10	5		DEBERN
O=[N+]([O-])c1ccc(NCC[C@@H]2COc3ccccc3O2)nc1	ZINC000360783906	424839813	/nfs/dbraw/zinc/83/98/13/424839813.db2.gz	WZTYSEWNWKNEDW-GFCCVEGCSA-N	0	0	301.302	2.632	10	5		DEBERN
CC(C)c1nnc2n1C[C@@H](Nc1ncccc1[N+](=O)[O-])CC2	ZINC000195314495	275776922	/nfs/dbraw/zinc/77/69/22/275776922.db2.gz	FKNNPQHEEMEFHL-JTQLQIEISA-N	0	0	302.338	2.132	10	5		DEBERN
CC1(C)C[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])c2ccccc2O1	ZINC000154986505	276148167	/nfs/dbraw/zinc/14/81/67/276148167.db2.gz	HPTUYQZSBSSOFO-JTQLQIEISA-N	0	0	316.317	2.350	10	5		DEBERN
CCN(CC(F)F)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000186447405	276316059	/nfs/dbraw/zinc/31/60/59/276316059.db2.gz	ZIOLHZGMIWCLCY-UHFFFAOYSA-N	0	0	308.306	2.012	10	5		DEBERN
CC(=O)c1ccc(N2CCO[C@@]3(CCCOC3)C2)c([N+](=O)[O-])c1	ZINC000286395005	277111369	/nfs/dbraw/zinc/11/13/69/277111369.db2.gz	GYHWTVPCSRPFTJ-INIZCTEOSA-N	0	0	320.345	2.183	10	5		DEBERN
COc1cc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-]	ZINC000154370078	277368470	/nfs/dbraw/zinc/36/84/70/277368470.db2.gz	DDIIVRRUTHLLJP-GXTWGEPZSA-N	0	0	320.345	2.387	10	5		DEBERN
CC(=O)N1CCCC[C@@H]1C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-]	ZINC000271667133	277991751	/nfs/dbraw/zinc/99/17/51/277991751.db2.gz	BWOSOGJJCYGXPI-IAQYHMDHSA-N	0	0	319.361	2.173	10	5		DEBERN
CC(C)c1n[nH]c(C(=O)N2CCC[C@H]3COCC[C@@H]32)c1[N+](=O)[O-]	ZINC000408003079	278000213	/nfs/dbraw/zinc/00/02/13/278000213.db2.gz	IEYRUUVNZZXPJS-QWRGUYRKSA-N	0	0	322.365	2.082	10	5		DEBERN
C[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[C@H](C)[C@H](C)O1	ZINC000408103619	278811341	/nfs/dbraw/zinc/81/13/41/278811341.db2.gz	BMWBYTRBNOWSEJ-BBBLOLIVSA-N	0	0	318.333	2.246	10	5		DEBERN
CCN(CC(F)F)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-]	ZINC000186445049	279064457	/nfs/dbraw/zinc/06/44/57/279064457.db2.gz	CIIHXOJPTRXYCY-UHFFFAOYSA-N	0	0	322.333	2.487	10	5		DEBERN
C[C@H]1SCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H]1C	ZINC000118440192	280091309	/nfs/dbraw/zinc/09/13/09/280091309.db2.gz	UMAFEYRVZYHGPT-JGVFFNPUSA-N	0	0	322.433	2.171	10	5		DEBERN
Cc1ccc(N2CCN(c3ccc(N)nc3)CC2)c([N+](=O)[O-])c1	ZINC000269978851	280877094	/nfs/dbraw/zinc/87/70/94/280877094.db2.gz	ZUNKTWXDOZXUKN-UHFFFAOYSA-N	0	0	313.361	2.207	10	5		DEBERN
Cc1ccc2c(n1)OCCN2C(=O)c1ccc([N+](=O)[O-])s1	ZINC000180481501	281137534	/nfs/dbraw/zinc/13/75/34/281137534.db2.gz	ZETAMPJFKNTUQZ-UHFFFAOYSA-N	0	0	305.315	2.399	10	5		DEBERN
Cc1ccc([C@@H](C)NC(=O)CCCCC(N)=O)cc1[N+](=O)[O-]	ZINC000188908237	333058494	/nfs/dbraw/zinc/05/84/94/333058494.db2.gz	HCSANLFWSYMQAZ-LLVKDONJSA-N	0	0	307.350	2.126	10	5		DEBERN
O=C(Nc1nc(C(F)(F)F)cs1)c1c[nH]nc1[N+](=O)[O-]	ZINC000577868846	341945247	/nfs/dbraw/zinc/94/52/47/341945247.db2.gz	GXRNHQRXNBMGSJ-UHFFFAOYSA-N	0	0	307.213	2.046	10	5		DEBERN
Cc1nc(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)no1	ZINC000175582773	534373293	/nfs/dbraw/zinc/37/32/93/534373293.db2.gz	PMRQSVOORNAWJJ-UHFFFAOYSA-N	0	0	319.321	2.021	10	5		DEBERN
O=[N+]([O-])c1ccc(CO)cc1N1CC[C@@H](Oc2ccncc2)C1	ZINC000302070965	534881741	/nfs/dbraw/zinc/88/17/41/534881741.db2.gz	VTHKWMPINCMWQV-CQSZACIVSA-N	0	0	315.329	2.140	10	5		DEBERN
CC(C)[C@H](C)NC(=O)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1	ZINC000301134272	528962133	/nfs/dbraw/zinc/96/21/33/528962133.db2.gz	WXEGHXNZPYEYGG-LBPRGKRZSA-N	0	0	320.393	2.367	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2C(C)=O)n1	ZINC000191456502	529154788	/nfs/dbraw/zinc/15/47/88/529154788.db2.gz	BNXOKIHOEGXEOG-UHFFFAOYSA-N	0	0	302.290	2.266	10	5		DEBERN
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)[C@H](C)CO	ZINC000248837252	536134742	/nfs/dbraw/zinc/13/47/42/536134742.db2.gz	NEQNICWSAXVHKM-MBNYWOFBSA-N	0	0	308.378	2.297	10	5		DEBERN
COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H](CO)C1CC1	ZINC000357788208	536587222	/nfs/dbraw/zinc/58/72/22/536587222.db2.gz	WIOQKYYXUXKCMX-NSHDSACASA-N	0	0	308.334	2.120	10	5		DEBERN
O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@@H]1Cn1ccnc1	ZINC000177754415	625083385	/nfs/dbraw/zinc/08/33/85/625083385.db2.gz	DXPOULITIQNRNA-GFCCVEGCSA-N	0	0	318.308	2.235	10	5		DEBERN
O=C(OCCn1cc([N+](=O)[O-])cn1)c1cccc2ncccc21	ZINC000177758453	625084417	/nfs/dbraw/zinc/08/44/17/625084417.db2.gz	CNMWFXPDQNEKSK-UHFFFAOYSA-N	0	0	312.285	2.197	10	5		DEBERN
O=C1c2ccccc2S(=O)(=O)N1Cc1csc([N+](=O)[O-])c1	ZINC000047171730	625752150	/nfs/dbraw/zinc/75/21/50/625752150.db2.gz	CYZLBCSMLZULQE-UHFFFAOYSA-N	0	0	324.339	2.001	10	5		DEBERN
C[C@H](COC(=O)Cn1cc([N+](=O)[O-])cn1)COc1ccccc1	ZINC000177189925	625876780	/nfs/dbraw/zinc/87/67/80/625876780.db2.gz	ILWBWSFQPGSTHP-LBPRGKRZSA-N	0	0	319.317	2.050	10	5		DEBERN
CCC[C@@]1(C)NC(=O)N(Cc2cc(F)ccc2[N+](=O)[O-])C1=O	ZINC000047359702	636313343	/nfs/dbraw/zinc/31/33/43/636313343.db2.gz	LTAPUGPIOBUHIJ-CQSZACIVSA-N	0	0	309.297	2.345	10	5		DEBERN
COC(=O)/C=C/c1ccc(NCC[NH+]2CCCC2)c([N+](=O)[O-])c1	ZINC000073935320	636571383	/nfs/dbraw/zinc/57/13/83/636571383.db2.gz	YMOHAUBZNDHMHS-FNORWQNLSA-N	0	0	319.361	2.289	10	5		DEBERN
CCOc1ccc(C(=O)NCc2cccc(F)n2)cc1[N+](=O)[O-]	ZINC000748200423	638527059	/nfs/dbraw/zinc/52/70/59/638527059.db2.gz	GIUSCIFKOWWOIK-UHFFFAOYSA-N	0	0	319.292	2.458	10	5		DEBERN
COC(=O)/C(C)=C\COC(=O)Cc1cccc([N+](=O)[O-])c1C	ZINC000748477189	638561624	/nfs/dbraw/zinc/56/16/24/638561624.db2.gz	MXMTYWJJWVSHEA-YFHOEESVSA-N	0	0	307.302	2.108	10	5		DEBERN
C/C(=C\C(=O)OCCn1ccnc1)c1ccc([N+](=O)[O-])cc1	ZINC000752342612	639174069	/nfs/dbraw/zinc/17/40/69/639174069.db2.gz	FKKNGWLGESPMSX-ZRDIBKRKSA-N	0	0	301.302	2.438	10	5		DEBERN
CCOC(=O)[C@H](CC1CC1)NC(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000752383459	639177500	/nfs/dbraw/zinc/17/75/00/639177500.db2.gz	MSEHYAVIDOUQLS-AWEZNQCLSA-N	0	0	320.345	2.365	10	5		DEBERN
O=C(Cc1ccccc1[N+](=O)[O-])N1CCCc2cc[nH]c(=O)c21	ZINC000752932258	639237972	/nfs/dbraw/zinc/23/79/72/639237972.db2.gz	GJBAMJDTQGRSIE-UHFFFAOYSA-N	0	0	313.313	2.217	10	5		DEBERN
CC(C)[C@@H](OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C	ZINC000729694825	640827604	/nfs/dbraw/zinc/82/76/04/640827604.db2.gz	FZODXJRBAYCYDH-JOZWUWCOSA-N	0	0	320.345	2.264	10	5		DEBERN
Cc1cccc(C(=O)O[C@@H](C(=O)N(C)C)C(C)C)c1[N+](=O)[O-]	ZINC000729694441	640827735	/nfs/dbraw/zinc/82/77/35/640827735.db2.gz	IHLZLYYAPWNNKR-CYBMUJFWSA-N	0	0	308.334	2.173	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C(=O)N(C)C)C(C)C	ZINC000729708264	640829765	/nfs/dbraw/zinc/82/97/65/640829765.db2.gz	FPFOLZDWSQWSJC-CYBMUJFWSA-N	0	0	308.334	2.173	10	5		DEBERN
C[C@@H](OC(=O)CCCCNC(N)=O)c1ccc([N+](=O)[O-])cc1	ZINC000103675961	645515729	/nfs/dbraw/zinc/51/57/29/645515729.db2.gz	QFWQTEROWAPKAL-SNVBAGLBSA-N	0	0	309.322	2.038	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCCCC(=O)N(C)C	ZINC000802983230	645590725	/nfs/dbraw/zinc/59/07/25/645590725.db2.gz	UGJKUEABGGZJQR-VAWYXSNFSA-N	0	0	320.345	2.410	10	5		DEBERN
CC(=O)c1cc([N+](=O)[O-])ccc1NCC(=O)NCc1ccco1	ZINC000804332046	645756425	/nfs/dbraw/zinc/75/64/25/645756425.db2.gz	GXLVZABIDOHBDR-UHFFFAOYSA-N	0	0	317.301	2.119	10	5		DEBERN
Cn1cc(CCC(=O)OCCc2ccccc2[N+](=O)[O-])cn1	ZINC000151272305	646323528	/nfs/dbraw/zinc/32/35/28/646323528.db2.gz	ANLBBKCTBIMYDG-UHFFFAOYSA-N	0	0	303.318	2.047	10	5		DEBERN
COC(=O)[C@@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C	ZINC000227817950	646608068	/nfs/dbraw/zinc/60/80/68/646608068.db2.gz	SFYIYOOASFRODO-GXSJLCMTSA-N	0	0	312.753	2.489	10	5		DEBERN
Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)C1=COCCC1	ZINC000730852121	647420688	/nfs/dbraw/zinc/42/06/88/647420688.db2.gz	HOLCOJCNIUPFLC-UHFFFAOYSA-N	0	0	320.301	2.079	10	5		DEBERN
C[C@H](OC(=O)C1=COCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000730852594	647420830	/nfs/dbraw/zinc/42/08/30/647420830.db2.gz	SBIBCBZZXFNDGE-JTQLQIEISA-N	0	0	320.301	2.159	10	5		DEBERN
CC1(C)CCCC[C@H]1CC(=O)OCCn1cnc([N+](=O)[O-])n1	ZINC000154806511	648105808	/nfs/dbraw/zinc/10/58/08/648105808.db2.gz	XAORWXNSJZOLMG-NSHDSACASA-N	0	0	310.354	2.336	10	5		DEBERN
CCCOCCOC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000107413674	651442223	/nfs/dbraw/zinc/44/22/23/651442223.db2.gz	DEESDLCVOYKYSL-UHFFFAOYSA-N	0	0	319.317	2.364	10	5		DEBERN
O=Cc1cc([N+](=O)[O-])ccc1OCC(=O)NC1CCCCC1	ZINC000007202585	651799317	/nfs/dbraw/zinc/79/93/17/651799317.db2.gz	VBKGIWITBPILJM-UHFFFAOYSA-N	0	0	306.318	2.235	10	5		DEBERN
COc1ccccc1[C@H](O)CNC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000041453503	683890100	/nfs/dbraw/zinc/89/01/00/683890100.db2.gz	XKZPGZLPCCIZKL-CQSZACIVSA-N	0	0	316.313	2.067	10	5		DEBERN
CSCCCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000125728753	684148005	/nfs/dbraw/zinc/14/80/05/684148005.db2.gz	IUWKFRYRRHJNEJ-UHFFFAOYSA-N	0	0	313.335	2.376	10	5		DEBERN
C[C@H]1CN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CCS1	ZINC000137351448	684244145	/nfs/dbraw/zinc/24/41/45/684244145.db2.gz	RHCCRKAMPNVBJV-ZETCQYMHSA-N	0	0	315.782	2.408	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCc1cnn(C)c1	ZINC000588445227	777199993	/nfs/dbraw/zinc/19/99/93/777199993.db2.gz	UVFNNVLRMLJYEO-XFFZJAGNSA-N	0	0	301.302	2.475	10	5		DEBERN
CSC[C@@H](CCO)NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1	ZINC000588446957	777203132	/nfs/dbraw/zinc/20/31/32/777203132.db2.gz	XQWXEIQSEZTHJW-PRWOLLLXSA-N	0	0	324.402	2.228	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[C@@H](O)C1	ZINC000588575860	777471797	/nfs/dbraw/zinc/47/17/97/777471797.db2.gz	UGWXWDUNYNOEIB-JPAZDARGSA-N	0	0	304.346	2.275	10	5		DEBERN
CS(=O)(=O)[C@H]1C[C@H](Nc2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000714247228	792304419	/nfs/dbraw/zinc/30/44/19/792304419.db2.gz	IWGDRMHCOOBPJB-KYZUINATSA-N	0	0	304.755	2.236	10	5		DEBERN
Nc1c(Cl)cc(C(=O)NCc2ccccn2)cc1[N+](=O)[O-]	ZINC000050699631	1078475712	/nfs/dbraw/zinc/47/57/12/1078475712.db2.gz	QTGRGECAIWBKJO-UHFFFAOYSA-N	0	0	306.709	2.155	10	5		DEBERN
COC[C@@H](NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C(C)C	ZINC000086707753	1084188470	/nfs/dbraw/zinc/18/84/70/1084188470.db2.gz	RBVMYSACIKMYCG-SNVBAGLBSA-N	0	0	315.757	2.231	10	5		DEBERN
O=[N+]([O-])c1cnc2c(c1)CN(Cc1ncc(C3CC3)o1)CC2	ZINC000612469302	361836928	/nfs/dbraw/zinc/83/69/28/361836928.db2.gz	OBTQBJUZAYJLPT-UHFFFAOYSA-N	0	0	300.318	2.414	10	5		DEBERN
COc1c(Cl)ncn(Cc2cccc([N+](=O)[O-])c2C)c1=O	ZINC000165137141	197670602	/nfs/dbraw/zinc/67/06/02/197670602.db2.gz	GEQBVVYUXVGAKV-UHFFFAOYSA-N	0	0	309.709	2.170	10	5		DEBERN
COC[C@@](C)(CO)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1	ZINC000613534241	362139227	/nfs/dbraw/zinc/13/92/27/362139227.db2.gz	KPEHQDQRZRZCIX-MRXNPFEDSA-N	0	0	324.377	2.020	10	5		DEBERN
CCCCCCC(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000092518746	185323739	/nfs/dbraw/zinc/32/37/39/185323739.db2.gz	JMODCSOKWIICIR-HOCLYGCPSA-N	0	0	324.377	2.076	10	5		DEBERN
C[C@@H]1CO[C@@H](CO)CN1c1cc(Cl)c(Cl)cc1[N+](=O)[O-]	ZINC000167775221	197713836	/nfs/dbraw/zinc/71/38/36/197713836.db2.gz	LUGJZKPZTBZQMO-HTQZYQBOSA-N	0	0	321.160	2.488	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)CC[NH+]2CCN(C)CC2)n1	ZINC000613704757	362185618	/nfs/dbraw/zinc/18/56/18/362185618.db2.gz	QESXCWFLFUQRTF-ZDUSSCGKSA-N	0	0	321.425	2.045	10	5		DEBERN
CCOC(=O)c1cc(NCC2(CCO)CC2)ccc1[N+](=O)[O-]	ZINC000186162894	282268798	/nfs/dbraw/zinc/26/87/98/282268798.db2.gz	PRTFXHJETZJIRI-UHFFFAOYSA-N	0	0	308.334	2.346	10	5		DEBERN
CC(C)[C@H]1C[C@@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1	ZINC000188450239	282300946	/nfs/dbraw/zinc/30/09/46/282300946.db2.gz	ZHQMYVDAFBUGEP-CABCVRRESA-N	0	0	304.346	2.477	10	5		DEBERN
O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1cc(F)ccc1[N+](=O)[O-]	ZINC000247652957	295738628	/nfs/dbraw/zinc/73/86/28/295738628.db2.gz	WRMPTOHUFWMXJN-SUHUHFCYSA-N	0	0	308.309	2.421	10	5		DEBERN
CN(C)c1nnc(Sc2ccc(CO)cc2[N+](=O)[O-])s1	ZINC000111574634	185614044	/nfs/dbraw/zinc/61/40/44/185614044.db2.gz	VASAPZDUKAXMMV-UHFFFAOYSA-N	0	0	312.376	2.156	10	5		DEBERN
C[C@H](CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[S@@](C)=O	ZINC000130416511	185965370	/nfs/dbraw/zinc/96/53/70/185965370.db2.gz	OHKFZGUMLCELOM-SQFXPLBJSA-N	0	0	301.324	2.072	10	5		DEBERN
CNS(=O)(=O)c1ccc(-c2cc([N+](=O)[O-])ccc2C)cc1	ZINC000071709076	191011442	/nfs/dbraw/zinc/01/14/42/191011442.db2.gz	UUCWSGLQMGLLRK-UHFFFAOYSA-N	0	0	306.343	2.478	10	5		DEBERN
COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)c(N)c1	ZINC000071699621	191010047	/nfs/dbraw/zinc/01/00/47/191010047.db2.gz	MPDXZACGQPDTTL-UHFFFAOYSA-N	0	0	317.301	2.447	10	5		DEBERN
CNc1cccc(S(=O)(=O)N[C@@H](C)C2CCC2)c1[N+](=O)[O-]	ZINC000138105259	186014433	/nfs/dbraw/zinc/01/44/33/186014433.db2.gz	QUEHPYBKAFCXAN-VIFPVBQESA-N	0	0	313.379	2.103	10	5		DEBERN
O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCn2ccnc2C1	ZINC000149245301	186048691	/nfs/dbraw/zinc/04/86/91/186048691.db2.gz	ZJJOSJAPXAKWQU-UHFFFAOYSA-N	0	0	306.709	2.101	10	5		DEBERN
CCNc1nc(OC)nc(Sc2ccccc2[N+](=O)[O-])n1	ZINC000150175724	186055415	/nfs/dbraw/zinc/05/54/15/186055415.db2.gz	UNYPULQVQFVPSL-UHFFFAOYSA-N	0	0	307.335	2.371	10	5		DEBERN
CCNc1cccc(N[C@@H]2CCCS(=O)(=O)C2)c1[N+](=O)[O-]	ZINC000155790275	186113198	/nfs/dbraw/zinc/11/31/98/186113198.db2.gz	ANZNRKJNBHITNN-SNVBAGLBSA-N	0	0	313.379	2.016	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(CC(=O)N(C)[C@H]2CCCC[C@H]2C)c1=O	ZINC000155815382	186115250	/nfs/dbraw/zinc/11/52/50/186115250.db2.gz	LWPOPUCTFKVULJ-RISCZKNCSA-N	0	0	321.377	2.102	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(Cc2cc(-c3ccco3)on2)c1=O	ZINC000155902922	186121700	/nfs/dbraw/zinc/12/17/00/186121700.db2.gz	FKVNIKZWJSODTM-UHFFFAOYSA-N	0	0	301.258	2.361	10	5		DEBERN
Nc1nnn(-c2cc([N+](=O)[O-])ccc2Br)c1C1CC1	ZINC000159533617	186125307	/nfs/dbraw/zinc/12/53/07/186125307.db2.gz	QIWZCNOEZXDAGH-UHFFFAOYSA-N	0	0	324.138	2.398	10	5		DEBERN
O=C1C[C@H](CNc2ncc([N+](=O)[O-])cc2Cl)CN1C1CC1	ZINC000272425786	209828056	/nfs/dbraw/zinc/82/80/56/209828056.db2.gz	FMSWLYUSIITHCW-MRVPVSSYSA-N	0	0	310.741	2.066	10	5		DEBERN
Cn1cc([N+](=O)[O-])c(C(=O)N(c2ccccn2)C2CCCC2)n1	ZINC000272423336	209826140	/nfs/dbraw/zinc/82/61/40/209826140.db2.gz	DOLQESPDFMRUCP-UHFFFAOYSA-N	0	0	315.333	2.313	10	5		DEBERN
Cc1ccnc(N[C@H]2CCCN(c3ncccn3)C2)c1[N+](=O)[O-]	ZINC000172277691	198070136	/nfs/dbraw/zinc/07/01/36/198070136.db2.gz	KJDSHXFCWJUYLK-LBPRGKRZSA-N	0	0	314.349	2.169	10	5		DEBERN
COc1ccc(OCCN2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1	ZINC000173453488	198216434	/nfs/dbraw/zinc/21/64/34/198216434.db2.gz	MKSHMIGTYUWMJO-VXGBXAGGSA-N	0	0	310.350	2.091	10	5		DEBERN
CC(F)(F)CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000451614908	535205978	/nfs/dbraw/zinc/20/59/78/535205978.db2.gz	UABFYQANTKMWCD-UHFFFAOYSA-N	0	0	308.306	2.060	10	5		DEBERN
Cc1nc(CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)no1	ZINC000176332636	198574721	/nfs/dbraw/zinc/57/47/21/198574721.db2.gz	LRTPTCVFOJYDMS-SECBINFHSA-N	0	0	319.321	2.155	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccccc1	ZINC000030493498	354124840	/nfs/dbraw/zinc/12/48/40/354124840.db2.gz	GQDGEXSUEZXLKN-UHFFFAOYSA-N	0	0	322.342	2.082	10	5		DEBERN
CC[C@](C)(CCO)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21	ZINC000182792872	199490990	/nfs/dbraw/zinc/49/09/90/199490990.db2.gz	OCZIBCFGFOIPKM-OAHLLOKOSA-N	0	0	305.334	2.357	10	5		DEBERN
Cc1ccsc1[C@H](O)CNC(=O)c1ccccc1[N+](=O)[O-]	ZINC000077172061	191669385	/nfs/dbraw/zinc/66/93/85/191669385.db2.gz	CMOXBHUZPGHNNH-GFCCVEGCSA-N	0	0	306.343	2.428	10	5		DEBERN
COc1cc(F)c([N+](=O)[O-])c(Sc2nnnn2C(C)C)c1	ZINC000092583894	355640318	/nfs/dbraw/zinc/64/03/18/355640318.db2.gz	QQIIULOYTOGELM-UHFFFAOYSA-N	0	0	313.314	2.461	10	5		DEBERN
CC[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1)c1nnc(C)[nH]1	ZINC000092664678	355644865	/nfs/dbraw/zinc/64/48/65/355644865.db2.gz	RWVNIMLRJJCWDV-LLVKDONJSA-N	0	0	319.321	2.371	10	5		DEBERN
CCc1nn(C)c(NC[C@H]2COc3ccccc3O2)c1[N+](=O)[O-]	ZINC000094131524	355693636	/nfs/dbraw/zinc/69/36/36/355693636.db2.gz	UGHBLQJQCJQHMV-JTQLQIEISA-N	0	0	318.333	2.143	10	5		DEBERN
COC(=O)C[C@H](C[N+](=O)[O-])c1ccc(Br)cc1	ZINC000136414084	355867932	/nfs/dbraw/zinc/86/79/32/355867932.db2.gz	UZDIBTNDTOPDDC-SECBINFHSA-N	0	0	302.124	2.373	10	5		DEBERN
CCN(Cc1ccc([N+](=O)[O-])cc1C)[C@H](C)CS(C)(=O)=O	ZINC000183347481	356168971	/nfs/dbraw/zinc/16/89/71/356168971.db2.gz	RSFOBCBFUOVJCF-GFCCVEGCSA-N	0	0	314.407	2.158	10	5		DEBERN
O=[N+]([O-])c1cncc(Cl)c1N1CC[C@@](O)(C(F)(F)F)C1	ZINC000312226154	356412653	/nfs/dbraw/zinc/41/26/53/356412653.db2.gz	GDMFJNGLMHWAQQ-VIFPVBQESA-N	0	0	311.647	2.147	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@]2(O)CCCC[C@H]2C1	ZINC000005763343	181281433	/nfs/dbraw/zinc/28/14/33/181281433.db2.gz	ASKYTQIXIOPGOO-XJKSGUPXSA-N	0	0	304.346	2.362	10	5		DEBERN
C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000081450413	192269249	/nfs/dbraw/zinc/26/92/49/192269249.db2.gz	SSZHTSAZCMHNHS-LLVKDONJSA-N	0	0	322.361	2.326	10	5		DEBERN
CCc1nn(C)c(N2CC[C@H](C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-]	ZINC000179603891	199062796	/nfs/dbraw/zinc/06/27/96/199062796.db2.gz	RJYFKYOZUZQGEF-JTQLQIEISA-N	0	0	324.381	2.059	10	5		DEBERN
CC(=O)c1ccc(N[C@@H]2CCN(C3CCC3)C2=O)c([N+](=O)[O-])c1	ZINC000599199633	359430812	/nfs/dbraw/zinc/43/08/12/359430812.db2.gz	NWYICBYJTIRONJ-CQSZACIVSA-N	0	0	317.345	2.363	10	5		DEBERN
CC(=O)c1ccc(NC2CC(N3CCOCC3)C2)c([N+](=O)[O-])c1	ZINC000599093996	359402084	/nfs/dbraw/zinc/40/20/84/359402084.db2.gz	CJPSYDVJDWWYRD-UHFFFAOYSA-N	0	0	319.361	2.073	10	5		DEBERN
O=C(NC[C@@H]1CCC[C@@H]1CO)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000089484454	192800109	/nfs/dbraw/zinc/80/01/09/192800109.db2.gz	KKTHKUOETCSVJC-VHSXEESVSA-N	0	0	312.753	2.387	10	5		DEBERN
COc1ccc(CCNc2cc([N+](=O)[O-])c(C)c[n+]2[O-])cc1	ZINC000280981054	216001850	/nfs/dbraw/zinc/00/18/50/216001850.db2.gz	NJWHZEDCSFAYIW-UHFFFAOYSA-N	0	0	303.318	2.200	10	5		DEBERN
C[C@H](NC(=O)N(C)CC1(CO)CC1)c1cccc([N+](=O)[O-])c1	ZINC000186981977	200043407	/nfs/dbraw/zinc/04/34/07/200043407.db2.gz	SCBNBEVERNWQCD-NSHDSACASA-N	0	0	307.350	2.070	10	5		DEBERN
COc1cc(C(=O)N2CC[C@@H](C)[C@@H](OC)C2)ccc1[N+](=O)[O-]	ZINC000187817748	200161451	/nfs/dbraw/zinc/16/14/51/200161451.db2.gz	CSKKPRATCNXKJG-YGRLFVJLSA-N	0	0	308.334	2.100	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NOC[C@H]1CCOC1	ZINC000187973196	200185421	/nfs/dbraw/zinc/18/54/21/200185421.db2.gz	CJOJXRJICLZENY-ZWXCPPHNSA-N	0	0	306.318	2.082	10	5		DEBERN
O=C(NCCOCC(F)F)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000188054190	200186826	/nfs/dbraw/zinc/18/68/26/200186826.db2.gz	JRJHBTZPYCSOIO-UHFFFAOYSA-N	0	0	313.260	2.088	10	5		DEBERN
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC1(CO)CC1	ZINC000189154102	200357439	/nfs/dbraw/zinc/35/74/39/200357439.db2.gz	LKMZYACYALMIRX-NSHDSACASA-N	0	0	324.402	2.306	10	5		DEBERN
CO[C@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[C@H]1C	ZINC000189324315	200381874	/nfs/dbraw/zinc/38/18/74/200381874.db2.gz	OVILPBUUFKJOEM-ABAIWWIYSA-N	0	0	322.361	2.318	10	5		DEBERN
COC(=O)[C@H]1CC12CCN(c1nc(C)cc(C)c1[N+](=O)[O-])CC2	ZINC000611616230	361645678	/nfs/dbraw/zinc/64/56/78/361645678.db2.gz	AXVNXCJQUODXAS-GFCCVEGCSA-N	0	0	319.361	2.386	10	5		DEBERN
Cc1cc(N2C[C@@H]3COC[C@H](C2)O3)c2cccc([N+](=O)[O-])c2n1	ZINC000619747484	363870804	/nfs/dbraw/zinc/87/08/04/363870804.db2.gz	RWYPSZWTBAIJAC-TXEJJXNPSA-N	0	0	315.329	2.055	10	5		DEBERN
CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1=O	ZINC000619794505	363877703	/nfs/dbraw/zinc/87/77/03/363877703.db2.gz	BYYWSFVWGLDAHC-CYBMUJFWSA-N	0	0	300.318	2.176	10	5		DEBERN
C[C@H](O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1Br	ZINC000092153241	193168456	/nfs/dbraw/zinc/16/84/56/193168456.db2.gz	ISCSZKQVHZGJIR-ZETCQYMHSA-N	0	0	317.139	2.457	10	5		DEBERN
Cc1cc(N)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)C(C)C	ZINC000094780695	193397637	/nfs/dbraw/zinc/39/76/37/193397637.db2.gz	QXNWXQPZBWUINI-JTQLQIEISA-N	0	0	315.395	2.056	10	5		DEBERN
CCN(C1CC1)S(=O)(=O)c1cc([N+](=O)[O-])c(NC)cc1C	ZINC000094780496	193397811	/nfs/dbraw/zinc/39/78/11/193397811.db2.gz	KQQVXSBGSAVGEV-UHFFFAOYSA-N	0	0	313.379	2.118	10	5		DEBERN
CNc1cc(C)c(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-]	ZINC000094780471	193398145	/nfs/dbraw/zinc/39/81/45/193398145.db2.gz	HRFCCWLVFSLSHB-UHFFFAOYSA-N	0	0	313.379	2.120	10	5		DEBERN
CCS[C@H]1CCCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1	ZINC000264956159	204299953	/nfs/dbraw/zinc/29/99/53/204299953.db2.gz	WNKFPHQTHNOQLV-NSHDSACASA-N	0	0	324.406	2.201	10	5		DEBERN
Cc1cc([N+](=O)[O-])c(Cl)cc1NCCNC(=O)N(C)C	ZINC000161055311	197460781	/nfs/dbraw/zinc/46/07/81/197460781.db2.gz	HKGWDLYTZWZFAL-UHFFFAOYSA-N	0	0	300.746	2.240	10	5		DEBERN
CC(=O)N1CCCC[C@H]1C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-]	ZINC000271667135	209109241	/nfs/dbraw/zinc/10/92/41/209109241.db2.gz	BWOSOGJJCYGXPI-NHYWBVRUSA-N	0	0	319.361	2.173	10	5		DEBERN
NN=c1nc[nH]c(NCc2ccc(F)c(Cl)c2)c1[N+](=O)[O-]	ZINC000160038220	197381450	/nfs/dbraw/zinc/38/14/50/197381450.db2.gz	IRTFTQDIABHHQX-UHFFFAOYSA-N	0	0	312.692	2.075	10	5		DEBERN
O=C(NCCn1cc([N+](=O)[O-])cn1)NCC1CCCCCC1	ZINC000454706970	246083793	/nfs/dbraw/zinc/08/37/93/246083793.db2.gz	KXTXSQBGTFKFDU-UHFFFAOYSA-N	0	0	309.370	2.061	10	5		DEBERN
COCCNc1ncnc(Nc2ccc(C)cc2)c1[N+](=O)[O-]	ZINC000040648948	183114022	/nfs/dbraw/zinc/11/40/22/183114022.db2.gz	XULCEVAJVGHJFL-UHFFFAOYSA-N	0	0	303.322	2.495	10	5		DEBERN
O=[N+]([O-])c1c(Nc2ccccc2F)ncnc1-n1ccnc1	ZINC000040627876	183110935	/nfs/dbraw/zinc/11/09/35/183110935.db2.gz	DDDYWLSJUKZUSJ-UHFFFAOYSA-N	0	0	300.253	2.453	10	5		DEBERN
C[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1cccc(Cl)c1	ZINC000043269236	183349722	/nfs/dbraw/zinc/34/97/22/183349722.db2.gz	XCHFSAOEDBVMLV-VIFPVBQESA-N	0	0	308.725	2.322	10	5		DEBERN
CCOC(=O)C[C@H](C)n1cc(Br)c([N+](=O)[O-])n1	ZINC000043622162	183376083	/nfs/dbraw/zinc/37/60/83/183376083.db2.gz	CCSZCYMYMXPAKD-LURJTMIESA-N	0	0	306.116	2.068	10	5		DEBERN
Cc1nn(Cc2ccc(Br)o2)c(N)c1[N+](=O)[O-]	ZINC000043670361	183378142	/nfs/dbraw/zinc/37/81/42/183378142.db2.gz	HGARKFDPEQPLQM-UHFFFAOYSA-N	0	0	301.100	2.086	10	5		DEBERN
COC(=O)[C@@](C)(CSc1ccc([N+](=O)[O-])cc1)NC1CC1	ZINC000045549537	183514709	/nfs/dbraw/zinc/51/47/09/183514709.db2.gz	OFVLWBDKCTZUFX-CQSZACIVSA-N	0	0	310.375	2.371	10	5		DEBERN
C[C@@]([NH3+])(CCCCOc1cc(F)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000045463117	183510416	/nfs/dbraw/zinc/51/04/16/183510416.db2.gz	MVPUWVPGSYJZSD-CYBMUJFWSA-N	0	0	300.286	2.085	10	5		DEBERN
COC(=O)c1cc(N2CCC([C@H](C)O)CC2)cc(C)c1[N+](=O)[O-]	ZINC000268501631	206758913	/nfs/dbraw/zinc/75/89/13/206758913.db2.gz	SLGKDBSAXKXIOS-NSHDSACASA-N	0	0	322.361	2.287	10	5		DEBERN
[NH3+][C@H](CCSCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000050444137	183786515	/nfs/dbraw/zinc/78/65/15/183786515.db2.gz	IIOZYLYAYBQQKU-SECBINFHSA-N	0	0	304.755	2.283	10	5		DEBERN
CCNc1ccc(S(=O)(=O)N2CCC[C@H]2C)c([N+](=O)[O-])c1	ZINC000050630916	183791042	/nfs/dbraw/zinc/79/10/42/183791042.db2.gz	HHUPNEZFTUPZHM-SNVBAGLBSA-N	0	0	313.379	2.200	10	5		DEBERN
CC[C@H]1CCCN1S(=O)(=O)c1ccc(NC)cc1[N+](=O)[O-]	ZINC000050630639	183791064	/nfs/dbraw/zinc/79/10/64/183791064.db2.gz	DEZNZXKPBMJISU-NSHDSACASA-N	0	0	313.379	2.200	10	5		DEBERN
CCC[C@H](CC)NS(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F	ZINC000050661381	183796370	/nfs/dbraw/zinc/79/63/70/183796370.db2.gz	MRPPZDUQPJBXHB-QMMMGPOBSA-N	0	0	319.358	2.173	10	5		DEBERN
O=[N+]([O-])c1cc(Br)cnc1N[C@H]1CCCC[C@@H]1O	ZINC000052005918	183846950	/nfs/dbraw/zinc/84/69/50/183846950.db2.gz	GQGNRRZAXABILE-WPRPVWTQSA-N	0	0	316.155	2.468	10	5		DEBERN
O=[N+]([O-])c1ccc2c(c1)ncn2S(=O)(=O)c1ccccc1	ZINC000058901050	184130993	/nfs/dbraw/zinc/13/09/93/184130993.db2.gz	XRQSNWUKXQCNLD-UHFFFAOYSA-N	0	0	303.299	2.182	10	5		DEBERN
CC(C)[NH2+][C@@H](CCOc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000062595832	184244157	/nfs/dbraw/zinc/24/41/57/184244157.db2.gz	XQDJJOOLZXSHPV-JTQLQIEISA-N	0	0	316.741	2.468	10	5		DEBERN
Cc1nc2cc(NC(=O)CCn3cc([N+](=O)[O-])cn3)ccc2o1	ZINC000065771816	184379833	/nfs/dbraw/zinc/37/98/33/184379833.db2.gz	HZJRXASXRANPMO-UHFFFAOYSA-N	0	0	315.289	2.270	10	5		DEBERN
CCNc1nnc(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)s1	ZINC000157364839	197181342	/nfs/dbraw/zinc/18/13/42/197181342.db2.gz	RYZPFNUJHDPYMO-UHFFFAOYSA-N	0	0	307.335	2.439	10	5		DEBERN
C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000155337468	197044983	/nfs/dbraw/zinc/04/49/83/197044983.db2.gz	RGKALVOTVRJFFL-NSHDSACASA-N	0	0	312.391	2.165	10	5		DEBERN
Cc1nn(C)c(C)c1CCNC(=O)c1ccc(F)cc1[N+](=O)[O-]	ZINC000120660602	195210508	/nfs/dbraw/zinc/21/05/08/195210508.db2.gz	ONWKJULGFPGZBG-UHFFFAOYSA-N	0	0	320.324	2.057	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000126309531	195828722	/nfs/dbraw/zinc/82/87/22/195828722.db2.gz	OMQDUOFXGOMSQI-CVEARBPZSA-N	0	0	312.325	2.291	10	5		DEBERN
C[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)C1	ZINC000125646270	195772586	/nfs/dbraw/zinc/77/25/86/195772586.db2.gz	WPPLDGLKFKEUID-HTQZYQBOSA-N	0	0	319.408	2.048	10	5		DEBERN
CSC1(CNc2cc(CO)ccc2[N+](=O)[O-])CCOCC1	ZINC000302014596	533511949	/nfs/dbraw/zinc/51/19/49/533511949.db2.gz	BRUZMMSAOIPLBK-UHFFFAOYSA-N	0	0	312.391	2.411	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCS[C@@H](C)C1	ZINC000171711914	291997365	/nfs/dbraw/zinc/99/73/65/291997365.db2.gz	DDDMNHKPCDYHHD-JTQLQIEISA-N	0	0	316.404	2.029	10	5		DEBERN
O=C(NCc1cccc(-c2ccccn2)c1)c1[nH]ncc1[N+](=O)[O-]	ZINC000164151477	132131626	/nfs/dbraw/zinc/13/16/26/132131626.db2.gz	HGJFJLATBDRWQB-UHFFFAOYSA-N	0	0	323.312	2.310	10	5		DEBERN
O=C(NC[C@@H](CO)C1CC1)c1cc2cc([N+](=O)[O-])ccc2o1	ZINC000359821607	133147205	/nfs/dbraw/zinc/14/72/05/133147205.db2.gz	LKMCXPJLROWVPZ-NSHDSACASA-N	0	0	304.302	2.089	10	5		DEBERN
CCc1cc(C)cc(CC)c1NC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000362138388	133213668	/nfs/dbraw/zinc/21/36/68/133213668.db2.gz	BRKDUVFYHGJHKV-UHFFFAOYSA-N	0	0	317.349	2.258	10	5		DEBERN
C/C=C\C[C@H](CO)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000354218258	146697040	/nfs/dbraw/zinc/69/70/40/146697040.db2.gz	TWFUHDWZQYZGJO-MXQLGCADSA-N	0	0	303.318	2.133	10	5		DEBERN
C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cc([N+](=O)[O-])cn1C	ZINC000548421099	285735849	/nfs/dbraw/zinc/73/58/49/285735849.db2.gz	OKDLLTOMEGIYQJ-CBAPKCEASA-N	0	0	305.256	2.346	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N(Cc1ccccn1)C1CC1	ZINC000178524874	144859681	/nfs/dbraw/zinc/85/96/81/144859681.db2.gz	PIPRCMVKMPSHQD-UHFFFAOYSA-N	0	0	312.329	2.498	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2CCCO2)CC1	ZINC000187606094	145001524	/nfs/dbraw/zinc/00/15/24/145001524.db2.gz	JEHXQZHTSHRXOV-HNNXBMFYSA-N	0	0	319.361	2.329	10	5		DEBERN
CCN1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1=O	ZINC000190517796	145043909	/nfs/dbraw/zinc/04/39/09/145043909.db2.gz	ZJPXIHWTHGWNRI-UHFFFAOYSA-N	0	0	319.342	2.071	10	5		DEBERN
CCN1CN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1=O	ZINC000191552034	145060471	/nfs/dbraw/zinc/06/04/71/145060471.db2.gz	GNXRHVNPLIMCGN-UHFFFAOYSA-N	0	0	307.350	2.004	10	5		DEBERN
COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cccc([N+](=O)[O-])c1	ZINC000248873999	145171211	/nfs/dbraw/zinc/17/12/11/145171211.db2.gz	VNHQSSZZUKLUMT-QEJZJMRPSA-N	0	0	304.346	2.368	10	5		DEBERN
C[C@H](CCNc1ncnc2sc([N+](=O)[O-])cc21)[S@](C)=O	ZINC000312241960	145354547	/nfs/dbraw/zinc/35/45/47/145354547.db2.gz	GYYIPJJHZPQLQG-GLEHDBDLSA-N	0	0	314.392	2.169	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@H](c2nc(C3CC3)no2)C1	ZINC000375673296	148398368	/nfs/dbraw/zinc/39/83/68/148398368.db2.gz	FJILSQUSNCMYNF-VIFPVBQESA-N	0	0	318.289	2.078	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[S@@](=O)C(C)(C)CC1	ZINC000408471876	148611548	/nfs/dbraw/zinc/61/15/48/148611548.db2.gz	YBTTWHIKZBAWJG-JOCHJYFZSA-N	0	0	324.402	2.276	10	5		DEBERN
CCOC(=O)c1ccnc(N[C@H]2CCCC[C@H]2CO)c1[N+](=O)[O-]	ZINC000077209845	401806641	/nfs/dbraw/zinc/80/66/41/401806641.db2.gz	YDHCJLGVUSZJQI-JQWIXIFHSA-N	0	0	323.349	2.130	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C(=O)OC(C)(C)C	ZINC000128141831	401764604	/nfs/dbraw/zinc/76/46/04/401764604.db2.gz	QIUUFSVVGXLJKG-JTQLQIEISA-N	0	0	308.334	2.363	10	5		DEBERN
COC(=O)c1cc(F)ccc1Cn1cc([N+](=O)[O-])c(C)cc1=O	ZINC000128622783	401785346	/nfs/dbraw/zinc/78/53/46/401785346.db2.gz	HZIWPVLOJVSQHO-UHFFFAOYSA-N	0	0	320.276	2.039	10	5		DEBERN
COCc1csc(NC(=O)COc2ccc([N+](=O)[O-])cc2)n1	ZINC000115246652	401822038	/nfs/dbraw/zinc/82/20/38/401822038.db2.gz	DHLOKUVVKXNAGI-UHFFFAOYSA-N	0	0	323.330	2.215	10	5		DEBERN
Cc1ccc2c(I)n[nH]c2c1[N+](=O)[O-]	ZINC000014986294	401814465	/nfs/dbraw/zinc/81/44/65/401814465.db2.gz	YUUVGRPLNQJQOD-UHFFFAOYSA-N	0	0	303.059	2.384	10	5		DEBERN
CN(C[C@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12	ZINC000133543238	401890343	/nfs/dbraw/zinc/89/03/43/401890343.db2.gz	SJBTUCKUIJIUIU-LLVKDONJSA-N	0	0	315.329	2.394	10	5		DEBERN
C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(F)cc1[N+](=O)[O-]	ZINC000134351036	401902143	/nfs/dbraw/zinc/90/21/43/401902143.db2.gz	OFRZOSBFNSKYKL-CMPLNLGQSA-N	0	0	307.325	2.043	10	5		DEBERN
CC[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)OC	ZINC000084372723	401905280	/nfs/dbraw/zinc/90/52/80/401905280.db2.gz	OLXGHPOXJSHZCB-SNVBAGLBSA-N	0	0	322.342	2.491	10	5		DEBERN
CCc1ccc(OS(=O)(=O)[C@@H]2CCO[C@@H]2C)c([N+](=O)[O-])c1	ZINC000135680987	401950637	/nfs/dbraw/zinc/95/06/37/401950637.db2.gz	QKLXOMKWFRVWAK-NOZJJQNGSA-N	0	0	315.347	2.043	10	5		DEBERN
O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)[C@H]1CCCO1	ZINC000119601400	401961176	/nfs/dbraw/zinc/96/11/76/401961176.db2.gz	MKUHLLCAWMIQPC-SNVBAGLBSA-N	0	0	315.123	2.475	10	5		DEBERN
CCOC(=O)C[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000089788917	401963623	/nfs/dbraw/zinc/96/36/23/401963623.db2.gz	SAUWIBIWYXHERY-JTQLQIEISA-N	0	0	308.334	2.222	10	5		DEBERN
CCOC(=O)C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000089788346	401963829	/nfs/dbraw/zinc/96/38/29/401963829.db2.gz	MULSTUZXHGZWNX-MRVPVSSYSA-N	0	0	314.363	2.284	10	5		DEBERN
C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@H]1CCCO1	ZINC000123143330	402112895	/nfs/dbraw/zinc/11/28/95/402112895.db2.gz	WAJJQNPJVVTWDV-QMTHXVAHSA-N	0	0	315.329	2.440	10	5		DEBERN
Cc1cc(C(=O)Nc2cnn(-c3ncccn3)c2)ccc1[N+](=O)[O-]	ZINC000151952329	402067538	/nfs/dbraw/zinc/06/75/38/402067538.db2.gz	HSBZIOFXYDOXGI-UHFFFAOYSA-N	0	0	324.300	2.131	10	5		DEBERN
O=C(Nc1cccc(-c2ncon2)c1)c1ccc([N+](=O)[O-])o1	ZINC000101526396	402145887	/nfs/dbraw/zinc/14/58/87/402145887.db2.gz	BNQVECMZNLPLNX-UHFFFAOYSA-N	0	0	300.230	2.490	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(N2CCC(Nc3cccnn3)CC2)n1	ZINC000124658583	402190398	/nfs/dbraw/zinc/19/03/98/402190398.db2.gz	VEHBTRMNABUJMV-UHFFFAOYSA-N	0	0	314.349	2.169	10	5		DEBERN
CCOC(=O)CC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])s1	ZINC000124917618	402203788	/nfs/dbraw/zinc/20/37/88/402203788.db2.gz	PTBLKMIAYRLQPT-QMMMGPOBSA-N	0	0	300.336	2.118	10	5		DEBERN
CCN(CCC(=O)OC)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000102636741	402169781	/nfs/dbraw/zinc/16/97/81/402169781.db2.gz	XVZVOEMWIGKKLY-UHFFFAOYSA-N	0	0	319.317	2.101	10	5		DEBERN
CCOC(=O)CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C	ZINC000154474717	402214494	/nfs/dbraw/zinc/21/44/94/402214494.db2.gz	XFCUALXLWIMLSX-AWEZNQCLSA-N	0	0	324.377	2.292	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1OCc1nsc(N(C)C)n1	ZINC000125261423	402222133	/nfs/dbraw/zinc/22/21/33/402222133.db2.gz	MXXDSMHDQPFJOK-UHFFFAOYSA-N	0	0	310.335	2.100	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCOC[C@@H]1CCOC1	ZINC000125088428	402212553	/nfs/dbraw/zinc/21/25/53/402212553.db2.gz	YESKUUFYUDPIIW-ZDUSSCGKSA-N	0	0	322.361	2.076	10	5		DEBERN
Cc1c(F)cc(S(=O)(=O)N[C@@H]2CC=CCC2)cc1[N+](=O)[O-]	ZINC000184779154	402299390	/nfs/dbraw/zinc/29/93/90/402299390.db2.gz	QHGUZZDAMJQSAT-SNVBAGLBSA-N	0	0	314.338	2.429	10	5		DEBERN
O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1Cn1ccnc1	ZINC000176340949	402301150	/nfs/dbraw/zinc/30/11/50/402301150.db2.gz	BUEXMYFWFYJDAU-CQSZACIVSA-N	0	0	315.333	2.488	10	5		DEBERN
COCCOCC(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21	ZINC000161856444	402401820	/nfs/dbraw/zinc/40/18/20/402401820.db2.gz	MJZPBCJTRNJYLY-UHFFFAOYSA-N	0	0	319.317	2.053	10	5		DEBERN
O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CCCc2n[nH]cc21	ZINC000177455857	402404472	/nfs/dbraw/zinc/40/44/72/402404472.db2.gz	RAKZYOQULNUTIC-LBPRGKRZSA-N	0	0	300.318	2.054	10	5		DEBERN
Cc1cc(C[C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2C)[nH]n1	ZINC000162064023	402408652	/nfs/dbraw/zinc/40/86/52/402408652.db2.gz	VCSHCOFAGUYXOE-JTQLQIEISA-N	0	0	302.334	2.296	10	5		DEBERN
CCc1ccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1F	ZINC000162079122	402409069	/nfs/dbraw/zinc/40/90/69/402409069.db2.gz	DRZIEHYEJPOIJX-UHFFFAOYSA-N	0	0	319.292	2.097	10	5		DEBERN
CC[C@@H](NC(=O)CN1CCCCC1=O)c1cccc([N+](=O)[O-])c1	ZINC000177803809	402437721	/nfs/dbraw/zinc/43/77/21/402437721.db2.gz	BQMWRBAFMCKLGN-CQSZACIVSA-N	0	0	319.361	2.175	10	5		DEBERN
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCC[C@H]1O	ZINC000245670980	402477755	/nfs/dbraw/zinc/47/77/55/402477755.db2.gz	DAKYABGOJXFMPN-LEWSCRJBSA-N	0	0	324.402	2.495	10	5		DEBERN
C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1C	ZINC000166204276	402482903	/nfs/dbraw/zinc/48/29/03/402482903.db2.gz	TVRVQTSRQVVCJM-BDAKNGLRSA-N	0	0	304.393	2.323	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC(C)(C)O1	ZINC000187336419	402494995	/nfs/dbraw/zinc/49/49/95/402494995.db2.gz	MBGLGNAJXKGESS-LLVKDONJSA-N	0	0	308.334	2.291	10	5		DEBERN
COc1ccc([N+](=O)[O-])c(C(=O)NCCCc2ccccn2)c1	ZINC000178827402	402544594	/nfs/dbraw/zinc/54/45/94/402544594.db2.gz	OEYVPEWLMJWFHW-UHFFFAOYSA-N	0	0	315.329	2.361	10	5		DEBERN
Cc1nc(CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)no1	ZINC000189817608	402560418	/nfs/dbraw/zinc/56/04/18/402560418.db2.gz	XFSWXOZKLDYDBB-UHFFFAOYSA-N	0	0	304.306	2.340	10	5		DEBERN
CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000190099055	402575608	/nfs/dbraw/zinc/57/56/08/402575608.db2.gz	DJNRHUCJGBOTPC-ZIAGYGMSSA-N	0	0	318.333	2.248	10	5		DEBERN
CC(C)[C@H](C)CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000178720019	402530291	/nfs/dbraw/zinc/53/02/91/402530291.db2.gz	HHKSETKBVKKSDB-LLVKDONJSA-N	0	0	300.380	2.306	10	5		DEBERN
CN(C)C(=O)[C@@H](Cc1ccccc1)Nc1ncc([N+](=O)[O-])s1	ZINC000190337588	402594018	/nfs/dbraw/zinc/59/40/18/402594018.db2.gz	LKCWUZRZCYNROX-LLVKDONJSA-N	0	0	320.374	2.163	10	5		DEBERN
C[C@@H](NC(=O)N(C)CC1CC(O)C1)c1cccc([N+](=O)[O-])c1	ZINC000190354719	402594463	/nfs/dbraw/zinc/59/44/63/402594463.db2.gz	ABMJPEBHUDCRBI-CDWSIMAYSA-N	0	0	307.350	2.068	10	5		DEBERN
CO[C@H]1C[C@@H](c2nc(C)no2)N(Cc2csc([N+](=O)[O-])c2)C1	ZINC000190104887	402576116	/nfs/dbraw/zinc/57/61/16/402576116.db2.gz	HAXCNEUORURRRW-QWRGUYRKSA-N	0	0	324.362	2.310	10	5		DEBERN
CC(C)[C@@H](C)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000172666166	402668923	/nfs/dbraw/zinc/66/89/23/402668923.db2.gz	AOHSBWPZSCENPT-NSHDSACASA-N	0	0	300.380	2.306	10	5		DEBERN
CN(CCc1ccc(F)cc1)C(=O)c1cc([N+](=O)[O-])cnc1N	ZINC000183707560	402790210	/nfs/dbraw/zinc/79/02/10/402790210.db2.gz	PWFGLSMWOLROHS-UHFFFAOYSA-N	0	0	318.308	2.026	10	5		DEBERN
CC(C)[C@@H]1C[C@@H]1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000184195769	402826021	/nfs/dbraw/zinc/82/60/21/402826021.db2.gz	ORGVMBFWSNFNOT-STQMWFEESA-N	0	0	306.318	2.369	10	5		DEBERN
CSc1ccc(CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)cc1	ZINC000194149691	402785713	/nfs/dbraw/zinc/78/57/13/402785713.db2.gz	PCSDSCOXAPMCMI-UHFFFAOYSA-N	0	0	320.374	2.289	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](O)C(F)(F)F	ZINC000273435560	403004963	/nfs/dbraw/zinc/00/49/63/403004963.db2.gz	PZFCIZDUWSPRBS-IOCXFXADSA-N	0	0	318.251	2.038	10	5		DEBERN
CC[C@H]1CN(c2ncccc2[N+](=O)[O-])CCN1CC(F)F	ZINC000270822640	403228327	/nfs/dbraw/zinc/22/83/27/403228327.db2.gz	RYAZYYUZFYVMLH-JTQLQIEISA-N	0	0	300.309	2.156	10	5		DEBERN
CC(=O)c1cc(NCc2cc(C(N)=O)co2)ccc1[N+](=O)[O-]	ZINC000343037381	403438500	/nfs/dbraw/zinc/43/85/00/403438500.db2.gz	JIRXCHKGRHQTMT-UHFFFAOYSA-N	0	0	303.274	2.101	10	5		DEBERN
CC(=O)c1cc(N2CCO[C@@]3(CCCOC3)C2)ccc1[N+](=O)[O-]	ZINC000286683470	403541674	/nfs/dbraw/zinc/54/16/74/403541674.db2.gz	WZDJMDZWVLZONW-INIZCTEOSA-N	0	0	320.345	2.183	10	5		DEBERN
C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCO[C@@H](C2CC2)C1	ZINC000368786310	403856289	/nfs/dbraw/zinc/85/62/89/403856289.db2.gz	XRFNWRBQJFYNFM-XHDPSFHLSA-N	0	0	319.361	2.033	10	5		DEBERN
CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](CO)c1ccccc1	ZINC000361003373	404874450	/nfs/dbraw/zinc/87/44/50/404874450.db2.gz	SORBISCXFUBMOR-ZDUSSCGKSA-N	0	0	304.350	2.308	10	5		DEBERN
Cc1sc(C(=O)N2CCN(C)[C@@H](C(C)C)C2)cc1[N+](=O)[O-]	ZINC000408358398	405184952	/nfs/dbraw/zinc/18/49/52/405184952.db2.gz	OPDHGMBXTWTKOP-GFCCVEGCSA-N	0	0	311.407	2.377	10	5		DEBERN
C[C@@H]1C[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1	ZINC000448699793	405438335	/nfs/dbraw/zinc/43/83/35/405438335.db2.gz	NHVOSKRGQJVVBF-ZYHUDNBSSA-N	0	0	300.318	2.166	10	5		DEBERN
Cc1nn(C)cc1CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1	ZINC000448741541	405442896	/nfs/dbraw/zinc/44/28/96/405442896.db2.gz	WVUFLVQLIZMJOA-JTQLQIEISA-N	0	0	302.334	2.057	10	5		DEBERN
CC1(C)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1	ZINC000448773837	405447133	/nfs/dbraw/zinc/44/71/33/405447133.db2.gz	WYCCCTMEFYYRHC-CYBMUJFWSA-N	0	0	300.318	2.309	10	5		DEBERN
CO[C@@H]1CC[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000451107391	406053591	/nfs/dbraw/zinc/05/35/91/406053591.db2.gz	IMUPFLZEWYOKMA-GXTWGEPZSA-N	0	0	320.345	2.241	10	5		DEBERN
C/C=C\C[C@@H](CO)Nc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1	ZINC000472653330	406140985	/nfs/dbraw/zinc/14/09/85/406140985.db2.gz	XBZYLOMJUKLCLR-WYGGZMRJSA-N	0	0	308.334	2.429	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H](CO)[C@@H]1C	ZINC000488941727	406362650	/nfs/dbraw/zinc/36/26/50/406362650.db2.gz	SYQYNYTXAPTPIM-NWDGAFQWSA-N	0	0	307.350	2.446	10	5		DEBERN
CS[C@H](C)CCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	ZINC000130893254	196120138	/nfs/dbraw/zinc/12/01/38/196120138.db2.gz	JNIGKTDWMBSPDX-MRVPVSSYSA-N	0	0	311.363	2.479	10	5		DEBERN
CC[C@@H](C)[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131199897	196149069	/nfs/dbraw/zinc/14/90/69/196149069.db2.gz	ZPNSXAPYSIYFPF-BDAKNGLRSA-N	0	0	304.343	2.447	10	5		DEBERN
CCN(CCc1nccs1)C(=O)c1cc([N+](=O)[O-])cnc1C	ZINC000131213949	196150672	/nfs/dbraw/zinc/15/06/72/196150672.db2.gz	LFWPXVSMNVGPBF-UHFFFAOYSA-N	0	0	320.374	2.460	10	5		DEBERN
CCNc1cc(S(=O)(=O)N2CCC[C@H]2C)ccc1[N+](=O)[O-]	ZINC000131445319	196169803	/nfs/dbraw/zinc/16/98/03/196169803.db2.gz	XQTLFJKDQIBXOO-SNVBAGLBSA-N	0	0	313.379	2.200	10	5		DEBERN
CCN(CC(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])c(NC)c1	ZINC000131893425	196208326	/nfs/dbraw/zinc/20/83/26/196208326.db2.gz	JIHJTTFHNYZERI-UHFFFAOYSA-N	0	0	315.395	2.303	10	5		DEBERN
CCCNc1cc(S(=O)(=O)N[C@H]2C[C@@H]2C)ccc1[N+](=O)[O-]	ZINC000132417718	196254370	/nfs/dbraw/zinc/25/43/70/196254370.db2.gz	HNKSYWFNQRSHAP-ONGXEEELSA-N	0	0	313.379	2.103	10	5		DEBERN
CCNc1cc(S(=O)(=O)NC[C@H](C)CC)ccc1[N+](=O)[O-]	ZINC000132444429	196255917	/nfs/dbraw/zinc/25/59/17/196255917.db2.gz	QMJTYTWUTZNKBV-SNVBAGLBSA-N	0	0	315.395	2.351	10	5		DEBERN
C[C@H](CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[S@@](C)=O	ZINC000132930991	196297335	/nfs/dbraw/zinc/29/73/35/196297335.db2.gz	SLDNHZCDKSYZPO-SQFXPLBJSA-N	0	0	318.782	2.135	10	5		DEBERN
CC1(C)CCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1	ZINC000132944268	196298675	/nfs/dbraw/zinc/29/86/75/196298675.db2.gz	XQCQKLYRUHHCJO-GFCCVEGCSA-N	0	0	313.379	2.034	10	5		DEBERN
CCC(O)(CC)CNC(=O)c1cc(F)c([N+](=O)[O-])cc1F	ZINC000134055940	196357565	/nfs/dbraw/zinc/35/75/65/196357565.db2.gz	FMBWGCHUVPVJFD-UHFFFAOYSA-N	0	0	302.277	2.154	10	5		DEBERN
Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2CCCC[C@@H]21	ZINC000183356568	224923392	/nfs/dbraw/zinc/92/33/92/224923392.db2.gz	WQIPIJRRWVEILO-MFKMUULPSA-N	0	0	304.350	2.367	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)c2nc(C)cs2)n1	ZINC000191707995	225116035	/nfs/dbraw/zinc/11/60/35/225116035.db2.gz	ISHMSXVEXOBOBQ-MRVPVSSYSA-N	0	0	323.378	2.110	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)n1	ZINC000191888737	225118993	/nfs/dbraw/zinc/11/89/93/225118993.db2.gz	RJSVGTNVZNXJSX-SRVKXCTJSA-N	0	0	306.366	2.462	10	5		DEBERN
Cc1cc(S(=O)(=O)N2C[C@H](C)[C@H]2C)cc([N+](=O)[O-])c1F	ZINC000297086262	226741658	/nfs/dbraw/zinc/74/16/58/226741658.db2.gz	NRTBIBSTLIUFRB-DTWKUNHWSA-N	0	0	302.327	2.071	10	5		DEBERN
C[C@H](CNc1cc(CO)ccc1[N+](=O)[O-])CC1(C)OCCO1	ZINC000302041163	230055799	/nfs/dbraw/zinc/05/57/99/230055799.db2.gz	NRXANTHTUKOXCL-NSHDSACASA-N	0	0	310.350	2.288	10	5		DEBERN
Cc1nn(C)c(Nc2ccc(OCCO)c(C)c2)c1[N+](=O)[O-]	ZINC000302176962	230142107	/nfs/dbraw/zinc/14/21/07/230142107.db2.gz	NADSOMOJPNRWJH-UHFFFAOYSA-N	0	0	306.322	2.060	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)Cn1ccnc1	ZINC000153806214	424860406	/nfs/dbraw/zinc/86/04/06/424860406.db2.gz	PNTLWXFHSXOTEJ-LLVKDONJSA-N	0	0	302.334	2.166	10	5		DEBERN
O=[N+]([O-])c1cc(Br)cnc1NC[C@@H](CO)C1CC1	ZINC000357773462	269040517	/nfs/dbraw/zinc/04/05/17/269040517.db2.gz	HEUGSXJAYDXDOS-QMMMGPOBSA-N	0	0	316.155	2.183	10	5		DEBERN
CC(C)NC(=O)c1ccc(N2C[C@H]3CC[C@@H](C2)O3)c([N+](=O)[O-])c1	ZINC000374090410	277661603	/nfs/dbraw/zinc/66/16/03/277661603.db2.gz	CGSROYFGJWZQLH-BETUJISGSA-N	0	0	319.361	2.101	10	5		DEBERN
COc1cccc(N2CCC[C@@H](Cn3cncn3)C2)c1[N+](=O)[O-]	ZINC000185390796	278015710	/nfs/dbraw/zinc/01/57/10/278015710.db2.gz	SWOWUYQUABFVQR-GFCCVEGCSA-N	0	0	317.349	2.112	10	5		DEBERN
Cc1nc2[nH]cc(I)c2cc1[N+](=O)[O-]	ZINC000016678051	279109515	/nfs/dbraw/zinc/10/95/15/279109515.db2.gz	PFKCPXGLEZHIIY-UHFFFAOYSA-N	0	0	303.059	2.384	10	5		DEBERN
Cc1cc(N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(F)cc1[N+](=O)[O-]	ZINC000292589993	280583444	/nfs/dbraw/zinc/58/34/44/280583444.db2.gz	LOXXDTHMMGYLTH-WBMJQRKESA-N	0	0	323.368	2.199	10	5		DEBERN
C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1	ZINC000028416015	281422379	/nfs/dbraw/zinc/42/23/79/281422379.db2.gz	HQMRTDYJSMWXKL-SECBINFHSA-N	0	0	308.725	2.322	10	5		DEBERN
Cc1ccc(C)c(S(=O)(=O)N2CCCCCO2)c1[N+](=O)[O-]	ZINC000408337092	301550412	/nfs/dbraw/zinc/55/04/12/301550412.db2.gz	SMWFYQVTTCKZNK-UHFFFAOYSA-N	0	0	314.363	2.318	10	5		DEBERN
COc1ccc(O)cc1C(=O)NCc1cccc([N+](=O)[O-])c1	ZINC000188946971	333059295	/nfs/dbraw/zinc/05/92/95/333059295.db2.gz	NLGMTSHMTPHZAF-UHFFFAOYSA-N	0	0	302.286	2.239	10	5		DEBERN
O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCO[C@H](C2CCCCC2)C1	ZINC000408199143	501074797	/nfs/dbraw/zinc/07/47/97/501074797.db2.gz	QFXFOPYPCQJTPE-AWEZNQCLSA-N	0	0	307.350	2.344	10	5		DEBERN
CC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1Cl	ZINC000355887017	534867899	/nfs/dbraw/zinc/86/78/99/534867899.db2.gz	WSVNDTXBXNWFKC-UHFFFAOYSA-N	0	0	308.681	2.426	10	5		DEBERN
Cc1ccc([C@H](C)NC(=O)CCc2ccnn2C)cc1[N+](=O)[O-]	ZINC000128405210	525887965	/nfs/dbraw/zinc/88/79/65/525887965.db2.gz	KWDZFIOHBBXSRI-LBPRGKRZSA-N	0	0	316.361	2.447	10	5		DEBERN
CCOc1ccc(C(=O)N2CCC[C@](C)(O)CC2)cc1[N+](=O)[O-]	ZINC000377059542	535700948	/nfs/dbraw/zinc/70/09/48/535700948.db2.gz	AAIAKKOKWSDGGF-INIZCTEOSA-N	0	0	322.361	2.371	10	5		DEBERN
Cc1nn(CN(C)[C@@H](C)C(=O)OC(C)(C)C)c(C)c1[N+](=O)[O-]	ZINC000177644420	625046070	/nfs/dbraw/zinc/04/60/70/625046070.db2.gz	QLKPLIRLLJVIIU-NSHDSACASA-N	0	0	312.370	2.028	10	5		DEBERN
O=[N+]([O-])c1ccc(NCC[S@](=O)Cc2ccccc2)cn1	ZINC000735487633	633513003	/nfs/dbraw/zinc/51/30/03/633513003.db2.gz	QXMPDEXTPLJCNH-NRFANRHFSA-N	0	0	305.359	2.351	10	5		DEBERN
CCc1ccc(C(=O)OC/C=C(/C)C(=O)OC)cc1[N+](=O)[O-]	ZINC000748194492	638526753	/nfs/dbraw/zinc/52/67/53/638526753.db2.gz	WWAOEUNIZSCQQU-YFHOEESVSA-N	0	0	307.302	2.433	10	5		DEBERN
C/C(=C\C(=O)O[C@H](C)C(=O)NC(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000752355702	639174655	/nfs/dbraw/zinc/17/46/55/639174655.db2.gz	QZUUOUUQIJEZIL-LMMOQWNQSA-N	0	0	320.345	2.454	10	5		DEBERN
C/C(=C\C(=O)O[C@H]1CCCN(C)C1=O)c1ccc([N+](=O)[O-])cc1	ZINC000752348780	639174762	/nfs/dbraw/zinc/17/47/62/639174762.db2.gz	GUJNBLZBXWHCIQ-VNDWYCCKSA-N	0	0	318.329	2.162	10	5		DEBERN
C/C(=C\C(=O)N1CCC[C@@](C)(O)C1)c1ccc([N+](=O)[O-])cc1	ZINC000752718130	639211090	/nfs/dbraw/zinc/21/10/90/639211090.db2.gz	AKZVFJIEBZBLND-YBHKSSGVSA-N	0	0	304.346	2.372	10	5		DEBERN
Cc1c(C(=O)O[C@@H](C(=O)N(C)C)C(C)C)cccc1[N+](=O)[O-]	ZINC000729695733	640827613	/nfs/dbraw/zinc/82/76/13/640827613.db2.gz	JNQVKIKWCANLMH-CYBMUJFWSA-N	0	0	308.334	2.173	10	5		DEBERN
O=C(CCn1cc([N+](=O)[O-])cn1)OC[C@H]1Cc2ccccc21	ZINC000803321320	645634894	/nfs/dbraw/zinc/63/48/94/645634894.db2.gz	JUHKLOYHIPEWGX-GFCCVEGCSA-N	0	0	301.302	2.065	10	5		DEBERN
C[C@@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])N1CCCCC1=O	ZINC000804646363	645799969	/nfs/dbraw/zinc/79/99/69/645799969.db2.gz	ZVGUKLGIPRNBTC-JTQLQIEISA-N	0	0	322.321	2.316	10	5		DEBERN
C[C@H](OC(=O)COc1cccc([N+](=O)[O-])c1)C1CCOCC1	ZINC000151458015	646387443	/nfs/dbraw/zinc/38/74/43/646387443.db2.gz	HQYGFCCMBHHJLP-NSHDSACASA-N	0	0	309.318	2.332	10	5		DEBERN
CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCCSCC1	ZINC000060834016	646640389	/nfs/dbraw/zinc/64/03/89/646640389.db2.gz	ISQHAUWPFMUOAZ-UHFFFAOYSA-N	0	0	309.391	2.240	10	5		DEBERN
CCOCCCCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	ZINC000130052481	684184753	/nfs/dbraw/zinc/18/47/53/684184753.db2.gz	VRDPCNYXIUNDND-UHFFFAOYSA-N	0	0	309.322	2.154	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](CO)C1	ZINC000588444158	777199175	/nfs/dbraw/zinc/19/91/75/777199175.db2.gz	NPWHMVVQGDVHQZ-UQTJOTSZSA-N	0	0	304.346	2.229	10	5		DEBERN
CC(=O)NCCCOC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1	ZINC000588445281	777199928	/nfs/dbraw/zinc/19/99/28/777199928.db2.gz	ZITYIFZEIGESDU-KHPPLWFESA-N	0	0	306.318	2.068	10	5		DEBERN
CCOC(=O)C[C@@H](C)NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1	ZINC000588446575	777202390	/nfs/dbraw/zinc/20/23/90/777202390.db2.gz	AIFCNFXOEYRNAR-UCQJPZFISA-N	0	0	320.345	2.456	10	5		DEBERN
Nc1ccc(C(=O)NCc2cnc(Cl)s2)cc1[N+](=O)[O-]	ZINC000718882218	1088690042	/nfs/dbraw/zinc/69/00/42/1088690042.db2.gz	ZDZIHCCFIFGETF-UHFFFAOYSA-N	0	0	312.738	2.217	10	5		DEBERN
O=[N+]([O-])c1cnc(NCc2sncc2Br)nc1	ZINC000722819876	1140425281	/nfs/dbraw/zinc/42/52/81/1140425281.db2.gz	OFJZWKOXHOWXAV-UHFFFAOYSA-N	0	0	316.140	2.216	10	5		DEBERN
COc1cc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc([N+](=O)[O-])c1	ZINC000164421933	197653138	/nfs/dbraw/zinc/65/31/38/197653138.db2.gz	LFFVBALKLHAIIP-UHFFFAOYSA-N	0	0	312.669	2.410	10	5		DEBERN
C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccncc1	ZINC000612794055	361917186	/nfs/dbraw/zinc/91/71/86/361917186.db2.gz	XKNPPFQQQMDKNH-LLVKDONJSA-N	0	0	321.358	2.072	10	5		DEBERN
CC[C@H](CSC)N(C)C(=O)c1nn(CC)cc1[N+](=O)[O-]	ZINC000191698975	529409792	/nfs/dbraw/zinc/40/97/92/529409792.db2.gz	AODBKRJUHDLQLA-SECBINFHSA-N	0	0	300.384	2.025	10	5		DEBERN
CN(Cc1cccnc1)C(=O)c1ccnc(Cl)c1[N+](=O)[O-]	ZINC000088801405	185266214	/nfs/dbraw/zinc/26/62/14/185266214.db2.gz	UFWJQTLQHHSXRL-UHFFFAOYSA-N	0	0	306.709	2.310	10	5		DEBERN
COc1cc(N)ccc1[S@@](=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000166187724	197688846	/nfs/dbraw/zinc/68/88/46/197688846.db2.gz	SKRVNBJCDJAANR-OAQYLSRUSA-N	0	0	306.343	2.493	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]2c2ccccc2)cc1	ZINC000090676847	185308988	/nfs/dbraw/zinc/30/89/88/185308988.db2.gz	CODOBECVWICGFR-GICMACPYSA-N	0	0	304.327	2.340	10	5		DEBERN
CCCCCCC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000092518745	185323737	/nfs/dbraw/zinc/32/37/37/185323737.db2.gz	JMODCSOKWIICIR-GDBMZVCRSA-N	0	0	324.377	2.076	10	5		DEBERN
CCCN(CCC)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N	ZINC000005002618	190620670	/nfs/dbraw/zinc/62/06/70/190620670.db2.gz	NSKGMPCMICMCAL-UHFFFAOYSA-N	0	0	310.310	2.347	10	5		DEBERN
CCC1(CC)CN(c2nc(C)ccc2[N+](=O)[O-])CC[S@]1=O	ZINC000184350321	282252433	/nfs/dbraw/zinc/25/24/33/282252433.db2.gz	CGWCBMXOWWUXJU-OAQYLSRUSA-N	0	0	311.407	2.426	10	5		DEBERN
CCc1nc(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])s2)no1	ZINC000441738652	529713454	/nfs/dbraw/zinc/71/34/54/529713454.db2.gz	JNBDZIKYYYZGJM-UHFFFAOYSA-N	0	0	310.335	2.267	10	5		DEBERN
CCc1nc(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])cc2)no1	ZINC000441698033	529713482	/nfs/dbraw/zinc/71/34/82/529713482.db2.gz	GASJDPBETVKONQ-UHFFFAOYSA-N	0	0	304.306	2.205	10	5		DEBERN
CC1(C)CC[C@@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])O1	ZINC000186220340	282270191	/nfs/dbraw/zinc/27/01/91/282270191.db2.gz	KDTNHNOGNRVYFW-LBPRGKRZSA-N	0	0	307.350	2.352	10	5		DEBERN
CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC(C)(C)O1	ZINC000302404616	529933116	/nfs/dbraw/zinc/93/31/16/529933116.db2.gz	KNSOUOGCVVCBLN-NSHDSACASA-N	0	0	307.350	2.324	10	5		DEBERN
COc1cc(C(=O)N(C)[C@H](CO)CC(C)C)cc([N+](=O)[O-])c1C	ZINC000190378668	282319543	/nfs/dbraw/zinc/31/95/43/282319543.db2.gz	PFNXFSAZURIDFM-ZDUSSCGKSA-N	0	0	324.377	2.391	10	5		DEBERN
CSC[C@H](C)CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	ZINC000083408839	192369618	/nfs/dbraw/zinc/36/96/18/192369618.db2.gz	BVOYVCMWFRYATE-MRVPVSSYSA-N	0	0	311.363	2.337	10	5		DEBERN
NC(=O)c1ccc(Oc2ncc(Cl)cc2N)c([N+](=O)[O-])c1	ZINC000148334164	186044574	/nfs/dbraw/zinc/04/45/74/186044574.db2.gz	WCWNHHFQINWHPQ-UHFFFAOYSA-N	0	0	308.681	2.117	10	5		DEBERN
CC(C)(C)ONS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000148833806	186046533	/nfs/dbraw/zinc/04/65/33/186046533.db2.gz	UDCFCFLXBDJFSV-UHFFFAOYSA-N	0	0	308.743	2.257	10	5		DEBERN
CCNc1ncnc(OCC(F)(F)C(F)(F)F)c1[N+](=O)[O-]	ZINC000149277817	186049291	/nfs/dbraw/zinc/04/92/91/186049291.db2.gz	UVCRBMLSHHXCPE-UHFFFAOYSA-N	0	0	316.186	2.393	10	5		DEBERN
O=[N+]([O-])c1ccc(-c2nc(I)no2)cc1	ZINC000163896651	186141803	/nfs/dbraw/zinc/14/18/03/186141803.db2.gz	YTSMHKHVJDWBKK-UHFFFAOYSA-N	0	0	317.042	2.249	10	5		DEBERN
CC1(CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCC1	ZINC000175121706	198430801	/nfs/dbraw/zinc/43/08/01/198430801.db2.gz	KEWAKACMHYZABZ-UHFFFAOYSA-N	0	0	315.333	2.096	10	5		DEBERN
CC(C)c1nc([C@H]2CCCN2CCn2ccc([N+](=O)[O-])n2)no1	ZINC000176222919	198561079	/nfs/dbraw/zinc/56/10/79/198561079.db2.gz	SNSNCFFLEAGRIY-LLVKDONJSA-N	0	0	320.353	2.135	10	5		DEBERN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1F	ZINC000004670169	181134809	/nfs/dbraw/zinc/13/48/09/181134809.db2.gz	XIBSMTOTQYNEMM-UHFFFAOYSA-N	0	0	302.327	2.299	10	5		DEBERN
Cc1cc(N2CCC[C@@H](C(=O)N3CCCC3)C2)ncc1[N+](=O)[O-]	ZINC000074750621	355046825	/nfs/dbraw/zinc/04/68/25/355046825.db2.gz	IZWSMMWLENGVOV-CYBMUJFWSA-N	0	0	318.377	2.137	10	5		DEBERN
CCN(CC)C(=O)C1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1	ZINC000078655810	355272136	/nfs/dbraw/zinc/27/21/36/355272136.db2.gz	PZTSJRBHEGJQTI-UHFFFAOYSA-N	0	0	320.393	2.383	10	5		DEBERN
Cc1cc(C(=O)NCC(=O)N[C@H](C)C(C)(C)C)ccc1[N+](=O)[O-]	ZINC000183563540	356175892	/nfs/dbraw/zinc/17/58/92/356175892.db2.gz	CEZHCWYOYREFPZ-LLVKDONJSA-N	0	0	321.377	2.184	10	5		DEBERN
CCc1ccc(OS(=O)(=O)CCCCOC)c([N+](=O)[O-])c1	ZINC000184738368	199758946	/nfs/dbraw/zinc/75/89/46/199758946.db2.gz	JLADOADRCAZGMO-UHFFFAOYSA-N	0	0	317.363	2.292	10	5		DEBERN
O=C1CC[C@@H](CNc2c(Br)cccc2[N+](=O)[O-])N1	ZINC000596496016	358699624	/nfs/dbraw/zinc/69/96/24/358699624.db2.gz	LSWPRYNTVLUXSP-ZETCQYMHSA-N	0	0	314.139	2.048	10	5		DEBERN
CC(=O)c1ccc(N[C@H]2CCN(C3CCC3)C2=O)c([N+](=O)[O-])c1	ZINC000599199632	359430926	/nfs/dbraw/zinc/43/09/26/359430926.db2.gz	NWYICBYJTIRONJ-AWEZNQCLSA-N	0	0	317.345	2.363	10	5		DEBERN
CCCC1(O)CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1	ZINC000089654220	192835133	/nfs/dbraw/zinc/83/51/33/192835133.db2.gz	QLKDRRKXBQFKKB-UHFFFAOYSA-N	0	0	310.375	2.060	10	5		DEBERN
CC(C)C[C@@H](CO)N(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1	ZINC000188487044	200254175	/nfs/dbraw/zinc/25/41/75/200254175.db2.gz	DULNPWJLMGOERT-HNNXBMFYSA-N	0	0	323.393	2.186	10	5		DEBERN
O=C(COc1ccc2c(c1)OCO2)Nc1cccc([N+](=O)[O-])c1	ZINC000006128811	181315430	/nfs/dbraw/zinc/31/54/30/181315430.db2.gz	IUHOXHDXGBUSTJ-UHFFFAOYSA-N	0	0	316.269	2.341	10	5		DEBERN
CC(=O)N1CCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C	ZINC000194071484	201173445	/nfs/dbraw/zinc/17/34/45/201173445.db2.gz	ACUGBMWMNRXYMV-ZDUSSCGKSA-N	0	0	305.334	2.161	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H](NC(=O)C(C)C)C2)n1	ZINC000611616305	361645345	/nfs/dbraw/zinc/64/53/45/361645345.db2.gz	VMUCBBWJFHCACH-ZDUSSCGKSA-N	0	0	320.393	2.348	10	5		DEBERN
COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]([C@H]3CCOC3)C2)c1	ZINC000611762161	361676721	/nfs/dbraw/zinc/67/67/21/361676721.db2.gz	PQHAULYXCBFTNC-OLZOCXBDSA-N	0	0	320.345	2.244	10	5		DEBERN
Cc1ccc(C2CCN(c3c([N+](=O)[O-])ncn3C)CC2)cn1	ZINC000611931612	361707205	/nfs/dbraw/zinc/70/72/05/361707205.db2.gz	FCBYRXXVODBAJY-UHFFFAOYSA-N	0	0	301.350	2.416	10	5		DEBERN
Cc1cc(N2CC(=O)N(C)[C@H](C)C2)c2cccc([N+](=O)[O-])c2n1	ZINC000619704973	363860783	/nfs/dbraw/zinc/86/07/83/363860783.db2.gz	XQBPEZVYNHDRBF-LLVKDONJSA-N	0	0	314.345	2.118	10	5		DEBERN
C[C@@H](c1ccccc1[N+](=O)[O-])N1CCO[C@@H](C(=O)C2CC2)C1	ZINC000619781700	363875640	/nfs/dbraw/zinc/87/56/40/363875640.db2.gz	FVMHMSMCWNHVOZ-XHDPSFHLSA-N	0	0	304.346	2.336	10	5		DEBERN
O=C(C1CC1)[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1	ZINC000619781694	363875875	/nfs/dbraw/zinc/87/58/75/363875875.db2.gz	DXGIPZRINKXDEK-AWEZNQCLSA-N	0	0	324.764	2.428	10	5		DEBERN
CCN1CC[C@H](NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1=O	ZINC000619801549	363878712	/nfs/dbraw/zinc/87/87/12/363878712.db2.gz	GLLPLKSMDYSBKM-ZDUSSCGKSA-N	0	0	319.361	2.069	10	5		DEBERN
CC(C)S(=O)(=O)CCN[C@H](C)c1ccccc1[N+](=O)[O-]	ZINC000271788560	209214863	/nfs/dbraw/zinc/21/48/63/209214863.db2.gz	UGDIFVYSMSRCCJ-LLVKDONJSA-N	0	0	300.380	2.069	10	5		DEBERN
O=C(CCCO)Nc1ccc(Br)cc1[N+](=O)[O-]	ZINC000092153326	193168603	/nfs/dbraw/zinc/16/86/03/193168603.db2.gz	ZYLFNMWHPDFVOL-UHFFFAOYSA-N	0	0	303.112	2.068	10	5		DEBERN
O=c1cc(CO)occ1OCc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000094333730	193360261	/nfs/dbraw/zinc/36/02/61/193360261.db2.gz	FFMRCPBJRHHFDR-UHFFFAOYSA-N	0	0	311.677	2.273	10	5		DEBERN
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@@H]1C[C@@H]1C	ZINC000094780210	193397405	/nfs/dbraw/zinc/39/74/05/193397405.db2.gz	ZFFRTFLHWSNHNF-WPRPVWTQSA-N	0	0	316.354	2.319	10	5		DEBERN
Cc1cc(N)c([N+](=O)[O-])cc1S(=O)(=O)N(C)C1CCCC1	ZINC000094780503	193397991	/nfs/dbraw/zinc/39/79/91/193397991.db2.gz	ARIBINMYUORQFX-UHFFFAOYSA-N	0	0	313.379	2.049	10	5		DEBERN
CCCNc1cc(C)c(S(=O)(=O)NC2CC2)cc1[N+](=O)[O-]	ZINC000094780429	193398026	/nfs/dbraw/zinc/39/80/26/193398026.db2.gz	HSTWGCKJCPYJAY-UHFFFAOYSA-N	0	0	313.379	2.166	10	5		DEBERN
COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1csc([N+](=O)[O-])c1	ZINC000191174017	284215942	/nfs/dbraw/zinc/21/59/42/284215942.db2.gz	GHMMKZYPHHIRAN-MDZLAQPJSA-N	0	0	310.375	2.430	10	5		DEBERN
CCCCN1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1=O	ZINC000021450936	182274327	/nfs/dbraw/zinc/27/43/27/182274327.db2.gz	FFDHVIQMWYPHEO-LBPRGKRZSA-N	0	0	319.361	2.490	10	5		DEBERN
COC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000035100040	182752743	/nfs/dbraw/zinc/75/27/43/182752743.db2.gz	OMVQHIRLGRUIIQ-NSHDSACASA-N	0	0	312.709	2.026	10	5		DEBERN
COC(=O)c1cc(N[C@@H]2CCCC[C@@H]2O)cc(C)c1[N+](=O)[O-]	ZINC000267932683	206344725	/nfs/dbraw/zinc/34/47/25/206344725.db2.gz	GYNSZNMIVLCFPG-OLZOCXBDSA-N	0	0	308.334	2.405	10	5		DEBERN
O=[N+]([O-])c1c(Nc2ccc(F)cc2)ncnc1-n1ccnc1	ZINC000040649451	183114225	/nfs/dbraw/zinc/11/42/25/183114225.db2.gz	JYJSDCHPZVLZSV-UHFFFAOYSA-N	0	0	300.253	2.453	10	5		DEBERN
O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCCC1=O	ZINC000040690738	183118669	/nfs/dbraw/zinc/11/86/69/183118669.db2.gz	ZSTVGCMAGVVZDW-UHFFFAOYSA-N	0	0	313.107	2.120	10	5		DEBERN
Nc1cccc(OCC[S@](=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000040970174	183152756	/nfs/dbraw/zinc/15/27/56/183152756.db2.gz	RCXHMYRTORHGSY-OAQYLSRUSA-N	0	0	306.343	2.364	10	5		DEBERN
Nc1cccc(OCC[S@@](=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000040970172	183152918	/nfs/dbraw/zinc/15/29/18/183152918.db2.gz	RCXHMYRTORHGSY-NRFANRHFSA-N	0	0	306.343	2.364	10	5		DEBERN
CO[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccccc1	ZINC000042750469	183304353	/nfs/dbraw/zinc/30/43/53/183304353.db2.gz	SLIIZJUWIYTYPN-HNNXBMFYSA-N	0	0	315.329	2.416	10	5		DEBERN
O=C(Cn1ccc([N+](=O)[O-])n1)N1CC=C(c2ccccc2)CC1	ZINC000043272285	183349876	/nfs/dbraw/zinc/34/98/76/183349876.db2.gz	IIILEBPPNJDDGT-UHFFFAOYSA-N	0	0	312.329	2.107	10	5		DEBERN
COC(=O)[C@@](C)(CSc1ccccc1[N+](=O)[O-])NC1CC1	ZINC000045549943	183515137	/nfs/dbraw/zinc/51/51/37/183515137.db2.gz	SNDSIKWHGPCLGP-CQSZACIVSA-N	0	0	310.375	2.371	10	5		DEBERN
CCCN(C1CC1)S(=O)(=O)c1cc(NC)ccc1[N+](=O)[O-]	ZINC000050652534	183794568	/nfs/dbraw/zinc/79/45/68/183794568.db2.gz	CTDSFRKEZPRDDF-UHFFFAOYSA-N	0	0	313.379	2.200	10	5		DEBERN
CC[C@@H](C)N(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NC	ZINC000050652309	183794670	/nfs/dbraw/zinc/79/46/70/183794670.db2.gz	ABXWRISVRQHJBE-SNVBAGLBSA-N	0	0	315.395	2.446	10	5		DEBERN
CC[C@@H](C)N(CC)S(=O)(=O)c1ccc(NC)c([N+](=O)[O-])c1	ZINC000050652316	183794692	/nfs/dbraw/zinc/79/46/92/183794692.db2.gz	HNMTZQYIPFCKNL-SNVBAGLBSA-N	0	0	315.395	2.446	10	5		DEBERN
C[C@@H]1CCC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N)C1	ZINC000050653672	183795079	/nfs/dbraw/zinc/79/50/79/183795079.db2.gz	ISXFEYVGSWUHPL-NXEZZACHSA-N	0	0	313.379	2.034	10	5		DEBERN
CCC(CC)N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NC	ZINC000050657487	183795659	/nfs/dbraw/zinc/79/56/59/183795659.db2.gz	IIGDXCIAQCQSOX-UHFFFAOYSA-N	0	0	315.395	2.446	10	5		DEBERN
O=[N+]([O-])c1cccc(-c2noc(C[C@H](O)C(F)(F)F)n2)c1	ZINC000109486155	194267910	/nfs/dbraw/zinc/26/79/10/194267910.db2.gz	XKDABPCHWXWSFG-QMMMGPOBSA-N	0	0	303.196	2.111	10	5		DEBERN
C[C@@H]1CCC[C@](CO)(Nc2ncnc(Cl)c2[N+](=O)[O-])C1	ZINC000053128527	183889554	/nfs/dbraw/zinc/88/95/54/183889554.db2.gz	OCPOLDDKVAUJNW-PELKAZGASA-N	0	0	300.746	2.391	10	5		DEBERN
O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@H](CCO)C1	ZINC000111009797	194381964	/nfs/dbraw/zinc/38/19/64/194381964.db2.gz	UBFRGVJOOAAKOX-SNVBAGLBSA-N	0	0	312.753	2.483	10	5		DEBERN
CCOCc1nnc(NC(=O)Cc2ccccc2[N+](=O)[O-])s1	ZINC000059132942	184135173	/nfs/dbraw/zinc/13/51/73/184135173.db2.gz	ZINMQVJJCRJMKJ-UHFFFAOYSA-N	0	0	322.346	2.164	10	5		DEBERN
CNc1c(Cl)cc(C(=O)NC[C@H]2CCOC2)cc1[N+](=O)[O-]	ZINC000061148735	184163334	/nfs/dbraw/zinc/16/33/34/184163334.db2.gz	YZTOZQBVFVFUJG-MRVPVSSYSA-N	0	0	313.741	2.056	10	5		DEBERN
Cc1cnc(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cn1	ZINC000061322107	184168200	/nfs/dbraw/zinc/16/82/00/184168200.db2.gz	OSIJSQYEYLDPSW-UHFFFAOYSA-N	0	0	306.709	2.277	10	5		DEBERN
CCOCC(=O)Nc1ccc([N+](=O)[O-])c(Br)c1	ZINC000119646331	195008194	/nfs/dbraw/zinc/00/81/94/195008194.db2.gz	ZNSFFVARNXZXIT-UHFFFAOYSA-N	0	0	303.112	2.332	10	5		DEBERN
C[C@@H]1CO[C@@H](C)CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000119861211	195051371	/nfs/dbraw/zinc/05/13/71/195051371.db2.gz	WKZQAGBYWHJMSN-ZJUUUORDSA-N	0	0	303.318	2.326	10	5		DEBERN
O=[N+]([O-])c1cc(F)c(Br)cc1N1CC[C@H](CO)C1	ZINC000158792690	197301899	/nfs/dbraw/zinc/30/18/99/197301899.db2.gz	LRZOWVXTPITCBT-ZETCQYMHSA-N	0	0	319.130	2.315	10	5		DEBERN
CCOC(=O)CNc1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000158099885	197243411	/nfs/dbraw/zinc/24/34/11/197243411.db2.gz	QRAPPFMWMOIKQX-UHFFFAOYSA-N	0	0	321.102	2.471	10	5		DEBERN
COc1cc(N)ccc1[S@@](=O)Cc1cccc([N+](=O)[O-])c1	ZINC000157499183	197191979	/nfs/dbraw/zinc/19/19/79/197191979.db2.gz	QCLKXKHISDYYGU-OAQYLSRUSA-N	0	0	306.343	2.493	10	5		DEBERN
C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)s2)C1	ZINC000157418847	197186228	/nfs/dbraw/zinc/18/62/28/197186228.db2.gz	KXDIJYAFRPNVHF-ZCFIWIBFSA-N	0	0	310.784	2.340	10	5		DEBERN
CNc1cccc(C(=O)NCc2cnc(C)s2)c1[N+](=O)[O-]	ZINC000156970268	197153747	/nfs/dbraw/zinc/15/37/47/197153747.db2.gz	UIXXYZMXVXSSLP-UHFFFAOYSA-N	0	0	306.347	2.331	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000151330252	196666195	/nfs/dbraw/zinc/66/61/95/196666195.db2.gz	ULKKLQRRSWSHPO-WBMJQRKESA-N	0	0	319.361	2.065	10	5		DEBERN
CN(C)C(=O)[C@H]1CCCN1Cc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000121969938	195383879	/nfs/dbraw/zinc/38/38/79/195383879.db2.gz	UBEJQWDHSLJEJW-GFCCVEGCSA-N	0	0	311.769	2.301	10	5		DEBERN
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCCC[C@@H]1c1nccs1	ZINC000122000242	195388450	/nfs/dbraw/zinc/38/84/50/195388450.db2.gz	YCEIWULRELZBGS-MRVPVSSYSA-N	0	0	307.335	2.142	10	5		DEBERN
Cc1cc(NN)nc(COc2ccc(Cl)cc2[N+](=O)[O-])n1	ZINC000122022480	195391407	/nfs/dbraw/zinc/39/14/07/195391407.db2.gz	ITDKDYAVSFSLMP-UHFFFAOYSA-N	0	0	309.713	2.211	10	5		DEBERN
CNc1sc(S(=O)(=O)N(C)[C@@H](C)C2CC2)cc1[N+](=O)[O-]	ZINC000125444311	195750266	/nfs/dbraw/zinc/75/02/66/195750266.db2.gz	PKEBFDUIDJSUKP-ZETCQYMHSA-N	0	0	319.408	2.117	10	5		DEBERN
C[C@@H](C(=O)NCC1(CCO)CC1)c1ccc([N+](=O)[O-])cc1F	ZINC000187957650	533251724	/nfs/dbraw/zinc/25/17/24/533251724.db2.gz	APVUXPYYWYKVOE-SNVBAGLBSA-N	0	0	310.325	2.116	10	5		DEBERN
COc1cccc(C(=O)N2CC[C@H](C)[C@H](OC)C2)c1[N+](=O)[O-]	ZINC000192912871	533402595	/nfs/dbraw/zinc/40/25/95/533402595.db2.gz	ZOTOIADJYVNTOY-GXFFZTMASA-N	0	0	308.334	2.100	10	5		DEBERN
C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H]1C	ZINC000246253885	132578490	/nfs/dbraw/zinc/57/84/90/132578490.db2.gz	SWGRCAGRFNFACG-IUCAKERBSA-N	0	0	304.393	2.465	10	5		DEBERN
O=[N+]([O-])c1cnc(NCCc2cn[nH]c2)c(Br)c1	ZINC000357632481	133089954	/nfs/dbraw/zinc/08/99/54/133089954.db2.gz	VNQHLLCFWFBKTK-UHFFFAOYSA-N	0	0	312.127	2.130	10	5		DEBERN
Cn1ccc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)n1	ZINC000357848493	133104352	/nfs/dbraw/zinc/10/43/52/133104352.db2.gz	MEANOOVIBDSDRO-UHFFFAOYSA-N	0	0	320.324	2.061	10	5		DEBERN
CCOc1ccc(C(=O)NC[C@H](OC)C2CC2)cc1[N+](=O)[O-]	ZINC000358119374	133122332	/nfs/dbraw/zinc/12/23/32/133122332.db2.gz	JUVKNVAFHWUKGG-AWEZNQCLSA-N	0	0	308.334	2.148	10	5		DEBERN
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](CO)C1CC1	ZINC000359775233	133143941	/nfs/dbraw/zinc/14/39/41/133143941.db2.gz	PUXATOUQPFVLRX-PWSUYJOCSA-N	0	0	324.402	2.210	10	5		DEBERN
O=[N+]([O-])c1c(F)cccc1N1CCCN(c2cccnn2)CC1	ZINC000265775728	296495755	/nfs/dbraw/zinc/49/57/55/296495755.db2.gz	DXFQLOQVFDKWBX-UHFFFAOYSA-N	0	0	317.324	2.241	10	5		DEBERN
O=[N+]([O-])c1cc(Cl)ccc1N1CCO[C@H](Cn2cccn2)C1	ZINC000108949758	296499097	/nfs/dbraw/zinc/49/90/97/296499097.db2.gz	JGBLYOKSTVNCEY-LBPRGKRZSA-N	0	0	322.752	2.350	10	5		DEBERN
COc1cnccc1[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000189572775	145030028	/nfs/dbraw/zinc/03/00/28/145030028.db2.gz	XPXAHQOEKDQJMV-SNVBAGLBSA-N	0	0	301.302	2.489	10	5		DEBERN
CCN1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1=O	ZINC000191841398	145065574	/nfs/dbraw/zinc/06/55/74/145065574.db2.gz	XKJGSBFEKYJTST-UHFFFAOYSA-N	0	0	315.329	2.476	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C	ZINC000246925438	145119836	/nfs/dbraw/zinc/11/98/36/145119836.db2.gz	DKWOOQDWYPBPEV-MGPQQGTHSA-N	0	0	304.346	2.447	10	5		DEBERN
CO[C@@H]1CC[C@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1	ZINC000247153528	145127371	/nfs/dbraw/zinc/12/73/71/145127371.db2.gz	XLWDARDVDMVLPJ-OWCLPIDISA-N	0	0	306.362	2.363	10	5		DEBERN
O=C(Cn1cnc([N+](=O)[O-])n1)c1ccc(C(F)(F)F)cc1	ZINC000359171486	147275184	/nfs/dbraw/zinc/27/51/84/147275184.db2.gz	FFESBFUUNJMWOC-UHFFFAOYSA-N	0	0	300.196	2.088	10	5		DEBERN
COC(=O)c1ccc(Cn2cc([N+](=O)[O-])cc(C)c2=O)c(F)c1	ZINC000126932354	401713719	/nfs/dbraw/zinc/71/37/19/401713719.db2.gz	AGUHGONKTCCFLN-UHFFFAOYSA-N	0	0	320.276	2.039	10	5		DEBERN
CSc1ccc(C(=O)N2CC[C@@H](CCO)C2)cc1[N+](=O)[O-]	ZINC000126966369	401714861	/nfs/dbraw/zinc/71/48/61/401714861.db2.gz	PBRCBYBQEOPBQX-JTQLQIEISA-N	0	0	310.375	2.161	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000127737149	401748107	/nfs/dbraw/zinc/74/81/07/401748107.db2.gz	GQYIYGDAKIRIFL-YGRLFVJLSA-N	0	0	310.375	2.424	10	5		DEBERN
CCOC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2C)C1	ZINC000113828471	401786166	/nfs/dbraw/zinc/78/61/66/401786166.db2.gz	OYXDINDHJVWNPY-LBPRGKRZSA-N	0	0	307.350	2.187	10	5		DEBERN
Cn1nccc1CCC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1	ZINC000128654765	401786701	/nfs/dbraw/zinc/78/67/01/401786701.db2.gz	DLDZGBRQXKCLQV-UHFFFAOYSA-N	0	0	316.361	2.312	10	5		DEBERN
COc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(C)n2)c1	ZINC000130220917	401823490	/nfs/dbraw/zinc/82/34/90/401823490.db2.gz	LLCMCWSFKRYHMT-UHFFFAOYSA-N	0	0	301.302	2.237	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	ZINC000078157081	401842241	/nfs/dbraw/zinc/84/22/41/401842241.db2.gz	DKWOOQDWYPBPEV-MJBXVCDLSA-N	0	0	304.346	2.447	10	5		DEBERN
CSc1ccc(C(=O)NC[C@@H]2CCC[C@@H]2O)cc1[N+](=O)[O-]	ZINC000089162924	401937558	/nfs/dbraw/zinc/93/75/58/401937558.db2.gz	CQZCQDLTMSLNFJ-JQWIXIFHSA-N	0	0	310.375	2.208	10	5		DEBERN
Cc1ccc([C@H](C)NC(=O)c2c[nH]c(=O)cc2C)cc1[N+](=O)[O-]	ZINC000133561938	401890505	/nfs/dbraw/zinc/89/05/05/401890505.db2.gz	PDJOXRLWXWZYBY-NSHDSACASA-N	0	0	315.329	2.391	10	5		DEBERN
Cc1nc(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)no1	ZINC000118648079	401903226	/nfs/dbraw/zinc/90/32/26/401903226.db2.gz	IDIWJTNNYAORLO-QMMMGPOBSA-N	0	0	322.346	2.083	10	5		DEBERN
CC[C@H](NC(=O)CNC(=O)C(C)(C)C)c1cccc([N+](=O)[O-])c1	ZINC000090466108	401983515	/nfs/dbraw/zinc/98/35/15/401983515.db2.gz	ZYAHCTPZQQJBOF-ZDUSSCGKSA-N	0	0	321.377	2.324	10	5		DEBERN
O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1cscn1	ZINC000050408050	402027974	/nfs/dbraw/zinc/02/79/74/402027974.db2.gz	KPMZOSITRZTKGR-UHFFFAOYSA-N	0	0	309.372	2.460	10	5		DEBERN
C[C@H](CO)[C@H](C)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000097597563	402128095	/nfs/dbraw/zinc/12/80/95/402128095.db2.gz	SSBMJWRNNDAFOF-SFYZADRCSA-N	0	0	301.730	2.387	10	5		DEBERN
CCOC(=O)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2C)C1	ZINC000066290344	402130080	/nfs/dbraw/zinc/13/00/80/402130080.db2.gz	ZQRORUSQVOGMHU-LBPRGKRZSA-N	0	0	320.345	2.319	10	5		DEBERN
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC000066327105	402130971	/nfs/dbraw/zinc/13/09/71/402130971.db2.gz	QOZLNYNNMZKOEH-RKDXNWHRSA-N	0	0	304.393	2.323	10	5		DEBERN
COC(=O)N[C@@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C	ZINC000101933268	402158386	/nfs/dbraw/zinc/15/83/86/402158386.db2.gz	YAIHJTMQGBONJU-GXFFZTMASA-N	0	0	323.349	2.153	10	5		DEBERN
COC[C@H](C)C(=O)Nc1cc(C)nn1-c1ccc([N+](=O)[O-])cc1	ZINC000103435065	402188090	/nfs/dbraw/zinc/18/80/90/402188090.db2.gz	NNCYHMYBWJXXNQ-JTQLQIEISA-N	0	0	318.333	2.310	10	5		DEBERN
Cc1cc(C)n(C[C@@H]2CN(c3ccc([N+](=O)[O-])cc3)CCO2)n1	ZINC000108950962	402265186	/nfs/dbraw/zinc/26/51/86/402265186.db2.gz	IBHCLNUJHGBCBK-INIZCTEOSA-N	0	0	316.361	2.314	10	5		DEBERN
C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1	ZINC000126020819	402260702	/nfs/dbraw/zinc/26/07/02/402260702.db2.gz	XZBZNZKWPJYVHA-IINYFYTJSA-N	0	0	324.768	2.156	10	5		DEBERN
CCOC(=O)C[C@H](C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000160348847	402342168	/nfs/dbraw/zinc/34/21/68/402342168.db2.gz	IWPYABKDILTTGD-VIFPVBQESA-N	0	0	319.317	2.148	10	5		DEBERN
CC(C)[C@H](O)CNc1c(Br)cncc1[N+](=O)[O-]	ZINC000232730851	402357718	/nfs/dbraw/zinc/35/77/18/402357718.db2.gz	YTRRDYYGZFVPPN-SECBINFHSA-N	0	0	304.144	2.181	10	5		DEBERN
Cc1nccn1C[C@@H]1CCCN1C(=O)c1csc([N+](=O)[O-])c1	ZINC000177150234	402375754	/nfs/dbraw/zinc/37/57/54/402375754.db2.gz	YINQPVOEALTKFT-LBPRGKRZSA-N	0	0	320.374	2.466	10	5		DEBERN
COCCCCS(=O)(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1	ZINC000186361853	402424968	/nfs/dbraw/zinc/42/49/68/402424968.db2.gz	CXLFGJFPDNJUJW-NSHDSACASA-N	0	0	316.379	2.002	10	5		DEBERN
CC[C@@H](NC(=O)NC1(CO)CCC1)c1cccc([N+](=O)[O-])c1	ZINC000186396874	402427887	/nfs/dbraw/zinc/42/78/87/402427887.db2.gz	RFAJOKSMIKJUFH-CYBMUJFWSA-N	0	0	307.350	2.260	10	5		DEBERN
Cc1ccc(NC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)cc1[N+](=O)[O-]	ZINC000163093955	402441407	/nfs/dbraw/zinc/44/14/07/402441407.db2.gz	PGFAUBLGRGYOGH-WDEREUQCSA-N	0	0	320.349	2.069	10	5		DEBERN
CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)OC(C)(C)C	ZINC000161544722	402390842	/nfs/dbraw/zinc/39/08/42/402390842.db2.gz	WTZKYRWJDRLFFJ-VIFPVBQESA-N	0	0	312.322	2.428	10	5		DEBERN
Cc1nc(N[C@@H]2CCc3nnc(C(C)C)n3C2)ccc1[N+](=O)[O-]	ZINC000178032952	402454618	/nfs/dbraw/zinc/45/46/18/402454618.db2.gz	DWGHRQFIENBUOJ-LLVKDONJSA-N	0	0	316.365	2.440	10	5		DEBERN
O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCOC1	ZINC000170936442	402543151	/nfs/dbraw/zinc/54/31/51/402543151.db2.gz	RTSSDLJIDYGGOH-CYBMUJFWSA-N	0	0	307.350	2.082	10	5		DEBERN
CC(C)[C@@H](C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-]	ZINC000178929246	402555992	/nfs/dbraw/zinc/55/59/92/402555992.db2.gz	MIPBOJNOBHJBFT-LLVKDONJSA-N	0	0	300.380	2.101	10	5		DEBERN
CC(C)Oc1ccc(F)cc1NC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000171250060	402571176	/nfs/dbraw/zinc/57/11/76/402571176.db2.gz	ATFHIFOHELVSLQ-UHFFFAOYSA-N	0	0	322.296	2.356	10	5		DEBERN
Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCCN(c2ncccn2)C1	ZINC000171277396	402573490	/nfs/dbraw/zinc/57/34/90/402573490.db2.gz	XAYWLNKFVCOXAB-LBPRGKRZSA-N	0	0	314.349	2.169	10	5		DEBERN
O=C1[C@@H]2[C@@H]3CCC[C@H]3CN2C(=O)N1c1cccc([N+](=O)[O-])c1	ZINC000248818140	402609328	/nfs/dbraw/zinc/60/93/28/402609328.db2.gz	IRXALNCPAJHBIU-BIMULSAOSA-N	0	0	301.302	2.162	10	5		DEBERN
CCc1noc(C)c1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2	ZINC000182678779	402708204	/nfs/dbraw/zinc/70/82/04/402708204.db2.gz	RCKPPFAGXJGEDC-UHFFFAOYSA-N	0	0	319.273	2.435	10	5		DEBERN
Nc1c(C(=O)NCc2ccc(Cl)cn2)cc(F)cc1[N+](=O)[O-]	ZINC000182132463	402668329	/nfs/dbraw/zinc/66/83/29/402668329.db2.gz	DAFHTQQNAUCMLL-UHFFFAOYSA-N	0	0	324.699	2.295	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C)(O)CC1	ZINC000183214667	402747456	/nfs/dbraw/zinc/74/74/56/402747456.db2.gz	GCQSFOVJJPFAFV-VAWYXSNFSA-N	0	0	304.346	2.372	10	5		DEBERN
CC[C@@H](NCc1nc(N(C)C)no1)c1cccc([N+](=O)[O-])c1	ZINC000192785959	402749776	/nfs/dbraw/zinc/74/97/76/402749776.db2.gz	QGIAHNYQFBWTJC-GFCCVEGCSA-N	0	0	305.338	2.285	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCc1nc(C)no1	ZINC000183416385	402765127	/nfs/dbraw/zinc/76/51/27/402765127.db2.gz	MMXVLOYXKIDXJT-KTKRTIGZSA-N	0	0	316.317	2.048	10	5		DEBERN
Nc1ccc([N+](=O)[O-])c(N2CCCN(c3ccccn3)CC2)c1	ZINC000193499876	402771467	/nfs/dbraw/zinc/77/14/67/402771467.db2.gz	CVYUNNWRTJGTSI-UHFFFAOYSA-N	0	0	313.361	2.289	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1CNc1nnc(-c2nccn2C)o1	ZINC000195030319	402827475	/nfs/dbraw/zinc/82/74/75/402827475.db2.gz	IOAHQVIWLOJMPM-UHFFFAOYSA-N	0	0	314.305	2.299	10	5		DEBERN
CC[C@@H](C)N(C)S(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1	ZINC000184329603	402836060	/nfs/dbraw/zinc/83/60/60/402836060.db2.gz	XNOIEGKLNAVENA-MRVPVSSYSA-N	0	0	304.343	2.461	10	5		DEBERN
CCC[C@H](CC)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000195213158	402837119	/nfs/dbraw/zinc/83/71/19/402837119.db2.gz	SRPXPNRWUWMARH-JTQLQIEISA-N	0	0	316.379	2.460	10	5		DEBERN
COc1ccc(C(=O)N2CC[C@H](C)[C@H](OC)C2)cc1[N+](=O)[O-]	ZINC000187969095	286280677	/nfs/dbraw/zinc/28/06/77/286280677.db2.gz	HDQVRULPTJPIFK-IINYFYTJSA-N	0	0	308.334	2.100	10	5		DEBERN
Cc1nc(C2CCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)n[nH]1	ZINC000301422318	403627006	/nfs/dbraw/zinc/62/70/06/403627006.db2.gz	FWGDZTBONUTFQL-UHFFFAOYSA-N	0	0	302.338	2.109	10	5		DEBERN
COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CCC[C@@H](C(N)=O)C2)c1	ZINC000301487255	403636194	/nfs/dbraw/zinc/63/61/94/403636194.db2.gz	YKAZYJLSDAKRHT-RKDXNWHRSA-N	0	0	311.313	2.199	10	5		DEBERN
COC(=O)c1cc(N2CCC[C@H]([C@@H](C)O)C2)cc(C)c1[N+](=O)[O-]	ZINC000301779470	403677902	/nfs/dbraw/zinc/67/79/02/403677902.db2.gz	MUEPLIDAXVOOQN-NEPJUHHUSA-N	0	0	322.361	2.287	10	5		DEBERN
C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCO[C@H](C2CC2)C1	ZINC000364424403	404387708	/nfs/dbraw/zinc/38/77/08/404387708.db2.gz	ZWFQPPLCGIGWJG-ABAIWWIYSA-N	0	0	319.361	2.033	10	5		DEBERN
O=C(NCC[C@@H]1COc2ccccc2O1)c1ccc([N+](=O)[O-])o1	ZINC000361165784	404954093	/nfs/dbraw/zinc/95/40/93/404954093.db2.gz	KFGPKHDHQYDHGU-SNVBAGLBSA-N	0	0	318.285	2.148	10	5		DEBERN
C[C@H]1C[C@H]1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1	ZINC000468341004	406097588	/nfs/dbraw/zinc/09/75/88/406097588.db2.gz	RLESRXSTGUMICK-QWRGUYRKSA-N	0	0	305.334	2.023	10	5		DEBERN
CCOC(=O)c1[nH]c(C)nc1NC(=O)c1ccc([N+](=O)[O-])s1	ZINC000525150767	406469848	/nfs/dbraw/zinc/46/98/48/406469848.db2.gz	ONFOELSGWVIQIC-UHFFFAOYSA-N	0	0	324.318	2.117	10	5		DEBERN
COC(=O)c1c(C)c(I)ccc1[N+](=O)[O-]	ZINC000575715319	406822828	/nfs/dbraw/zinc/82/28/28/406822828.db2.gz	WIVDHIPQVIHSDX-UHFFFAOYSA-N	0	0	321.070	2.294	10	5		DEBERN
COc1c(C=O)ccc(I)c1[N+](=O)[O-]	ZINC000575728070	406825395	/nfs/dbraw/zinc/82/53/95/406825395.db2.gz	NSCAFSPQLBHUOL-UHFFFAOYSA-N	0	0	307.043	2.021	10	5		DEBERN
COc1cc(I)c(C=O)cc1[N+](=O)[O-]	ZINC000575728986	406825873	/nfs/dbraw/zinc/82/58/73/406825873.db2.gz	XUTTVQBWGPEZID-UHFFFAOYSA-N	0	0	307.043	2.021	10	5		DEBERN
O=[N+]([O-])c1ccc(N2CCC([C@@H](O)C(F)(F)F)CC2)cn1	ZINC000555415770	406843391	/nfs/dbraw/zinc/84/33/91/406843391.db2.gz	DJPKRJOSTZMRHA-LLVKDONJSA-N	0	0	305.256	2.129	10	5		DEBERN
CC(C)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131189194	196148485	/nfs/dbraw/zinc/14/84/85/196148485.db2.gz	UHWUYFQLWSOLCO-UHFFFAOYSA-N	0	0	304.343	2.448	10	5		DEBERN
CSC[C@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131229771	196151928	/nfs/dbraw/zinc/15/19/28/196151928.db2.gz	BTCNASJVYBEMTL-MRVPVSSYSA-N	0	0	322.383	2.011	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1nccn1CC(C)C	ZINC000131505842	196175843	/nfs/dbraw/zinc/17/58/43/196175843.db2.gz	HQEMSXHQRKXOPC-UHFFFAOYSA-N	0	0	317.349	2.081	10	5		DEBERN
CCNc1cc(S(=O)(=O)NC(C)(C)C)ccc1[N+](=O)[O-]	ZINC000131706555	196192493	/nfs/dbraw/zinc/19/24/93/196192493.db2.gz	APQYCRPHXQYFSH-UHFFFAOYSA-N	0	0	301.368	2.103	10	5		DEBERN
CCNc1cc(S(=O)(=O)N2CC[C@@H](C)C2)ccc1[N+](=O)[O-]	ZINC000132062220	196222983	/nfs/dbraw/zinc/22/29/83/196222983.db2.gz	XANFIEFNZXLFKD-SNVBAGLBSA-N	0	0	313.379	2.057	10	5		DEBERN
CC(C)CCCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1	ZINC000132954338	196299352	/nfs/dbraw/zinc/29/93/52/196299352.db2.gz	CIGFCEONQDBZNZ-UHFFFAOYSA-N	0	0	315.395	2.282	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3ccccc3)C2)n1	ZINC000191581383	225113177	/nfs/dbraw/zinc/11/31/77/225113177.db2.gz	BKWSDANZNRVWBB-CYBMUJFWSA-N	0	0	314.345	2.441	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)c2ccncc2)n1	ZINC000191579420	225113357	/nfs/dbraw/zinc/11/33/57/225113357.db2.gz	KTGSUCPVSWQVOC-SNVBAGLBSA-N	0	0	303.322	2.039	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(F)c(F)cc2F)n1	ZINC000191601560	225113426	/nfs/dbraw/zinc/11/34/26/225113426.db2.gz	XSLXUDBQMRYUQJ-UHFFFAOYSA-N	0	0	314.223	2.481	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N(C)c2c(F)cccc2F)n1	ZINC000191567025	225113933	/nfs/dbraw/zinc/11/39/33/225113933.db2.gz	CUTOYHSKMQRROP-UHFFFAOYSA-N	0	0	310.260	2.366	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](OCCC(C)C)C2)n1	ZINC000191660196	225114616	/nfs/dbraw/zinc/11/46/16/225114616.db2.gz	DAESJIXTAWHKBQ-GFCCVEGCSA-N	0	0	324.381	2.088	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N(c2nc(C)cs2)C2CC2)n1	ZINC000191628018	225114977	/nfs/dbraw/zinc/11/49/77/225114977.db2.gz	VYZOZYFNMGBWAY-UHFFFAOYSA-N	0	0	321.362	2.385	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2cccnc2)C2CC2)n1	ZINC000191765389	225115861	/nfs/dbraw/zinc/11/58/61/225115861.db2.gz	XAIYXGBAFRBXPH-UHFFFAOYSA-N	0	0	315.333	2.011	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCCO[C@H]2CCCC[C@@H]2C)n1	ZINC000191773361	225117279	/nfs/dbraw/zinc/11/72/79/225117279.db2.gz	HKZCSSMGLMODCV-AAEUAGOBSA-N	0	0	324.381	2.136	10	5		DEBERN
CC(C)O[C@@H]1C[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C1(C)C	ZINC000361621705	424845870	/nfs/dbraw/zinc/84/58/70/424845870.db2.gz	NFUZXHSMMWTNMX-GHMZBOCLSA-N	0	0	319.365	2.642	10	5		DEBERN
CC1(C)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[C@H]1C(F)(F)F	ZINC000190748688	276130792	/nfs/dbraw/zinc/13/07/92/276130792.db2.gz	DPQCJLOJABDSHK-MRVPVSSYSA-N	0	0	320.271	2.369	10	5		DEBERN
CCOC(=O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000301115287	276287143	/nfs/dbraw/zinc/28/71/43/276287143.db2.gz	UDDLNFFNASOYHE-NSHDSACASA-N	0	0	309.278	2.035	10	5		DEBERN
COC(=O)CN(C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1)C(C)C	ZINC000182672985	277059503	/nfs/dbraw/zinc/05/95/03/277059503.db2.gz	ZGUIOELRKWDJIQ-FMIVXFBMSA-N	0	0	320.345	2.408	10	5		DEBERN
COC(=O)c1cc(C)cc([N+](=O)[O-])c1I	ZINC000078210632	277420174	/nfs/dbraw/zinc/42/01/74/277420174.db2.gz	ZDMNZQRGKMTCGZ-UHFFFAOYSA-N	0	0	321.070	2.294	10	5		DEBERN
CSC[C@@](C)(O)CNC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1	ZINC000182804488	277513752	/nfs/dbraw/zinc/51/37/52/277513752.db2.gz	VQBUWSSTFFKJSR-SHQCLWGWSA-N	0	0	324.402	2.228	10	5		DEBERN
C[C@@H]1[C@H](C(F)(F)F)CCN1c1ccc2ncc([N+](=O)[O-])n2n1	ZINC000359857750	279098585	/nfs/dbraw/zinc/09/85/85/279098585.db2.gz	QOWOGYUHOZASBT-HTQZYQBOSA-N	0	0	315.255	2.415	10	5		DEBERN
CC[C@H]1CCCCN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000067949449	288201979	/nfs/dbraw/zinc/20/19/79/288201979.db2.gz	USMUYZPNRJTCGV-JTQLQIEISA-N	0	0	313.379	2.011	10	5		DEBERN
O=[N+]([O-])c1ccc(F)cc1N1CCN(Cc2cccnc2)CC1	ZINC000302856596	280365376	/nfs/dbraw/zinc/36/53/76/280365376.db2.gz	LWSLHABTCFYLQH-UHFFFAOYSA-N	0	0	316.336	2.451	10	5		DEBERN
CC(C)(C)OC(=O)NCCn1cc2cc([N+](=O)[O-])ccc2n1	ZINC000584600966	337370853	/nfs/dbraw/zinc/37/08/53/337370853.db2.gz	AZAHOGYLUVCKOY-UHFFFAOYSA-N	0	0	306.322	2.469	10	5		DEBERN
CC(=O)N(C)c1cccc(NC(=O)CCC(C)(C)[N+](=O)[O-])c1	ZINC000294788418	526480336	/nfs/dbraw/zinc/48/03/36/526480336.db2.gz	AQPNGZIPGUKDEF-UHFFFAOYSA-N	0	0	307.350	2.443	10	5		DEBERN
Cc1sc(C(=O)NCCC(=O)OC(C)(C)C)cc1[N+](=O)[O-]	ZINC000124325637	526871841	/nfs/dbraw/zinc/87/18/41/526871841.db2.gz	MWJYRCMUVIXFLT-UHFFFAOYSA-N	0	0	314.363	2.426	10	5		DEBERN
CC1(C)C(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1(C)C	ZINC000443783500	528877731	/nfs/dbraw/zinc/87/77/31/528877731.db2.gz	RCXXDXCDELFMGD-UHFFFAOYSA-N	0	0	312.391	2.449	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(OCCF)c2)n1	ZINC000191669967	529154359	/nfs/dbraw/zinc/15/43/59/529154359.db2.gz	XCPOHANGSZKXOM-UHFFFAOYSA-N	0	0	322.296	2.412	10	5		DEBERN
CC[C@@H](CC1CCCC1)C(=O)OCCn1cnc([N+](=O)[O-])n1	ZINC000176687036	625146029	/nfs/dbraw/zinc/14/60/29/625146029.db2.gz	SBESTBFXTCOTLN-LBPRGKRZSA-N	0	0	310.354	2.336	10	5		DEBERN
O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCn2ccnc2C1	ZINC000062253353	625870747	/nfs/dbraw/zinc/87/07/47/625870747.db2.gz	ZPWGVSFXWNQITJ-UHFFFAOYSA-N	0	0	306.709	2.101	10	5		DEBERN
CC[C@@H](O)C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-]	ZINC000162232230	636562066	/nfs/dbraw/zinc/56/20/66/636562066.db2.gz	FXGNJAGHACNUFV-SNVBAGLBSA-N	0	0	303.156	2.218	10	5		DEBERN
C/C(=C/C(=O)N(C)Cc1ncc[nH]1)c1ccc([N+](=O)[O-])cc1	ZINC000752102510	639156482	/nfs/dbraw/zinc/15/64/82/639156482.db2.gz	KZQLFZIHHUZLKZ-LUAWRHEFSA-N	0	0	300.318	2.380	10	5		DEBERN
CCOC(=O)[C@@H](CC1CC1)NC(=O)c1cc([N+](=O)[O-])ccc1F	ZINC000752387142	639179731	/nfs/dbraw/zinc/17/97/31/639179731.db2.gz	NIHDFOISHLFTOX-CYBMUJFWSA-N	0	0	324.308	2.196	10	5		DEBERN
Cc1cc(F)cc(C(=O)OCC(=O)N(C)CC2CC2)c1[N+](=O)[O-]	ZINC000752552243	639196835	/nfs/dbraw/zinc/19/68/35/639196835.db2.gz	AOSRVVYSIBHVOF-UHFFFAOYSA-N	0	0	324.308	2.068	10	5		DEBERN
C/C(=C/C(=O)N[C@H](CO)CC1CC1)c1ccc([N+](=O)[O-])cc1	ZINC000752741694	639214282	/nfs/dbraw/zinc/21/42/82/639214282.db2.gz	ROIBVGJIKIXGIC-MSKHEQNASA-N	0	0	304.346	2.275	10	5		DEBERN
Cc1cccc(C(=O)O[C@H](C(=O)N(C)C)C(C)C)c1[N+](=O)[O-]	ZINC000729694445	640827652	/nfs/dbraw/zinc/82/76/52/640827652.db2.gz	IHLZLYYAPWNNKR-ZDUSSCGKSA-N	0	0	308.334	2.173	10	5		DEBERN
Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NOCc1ccc(F)cc1	ZINC000801950305	645468209	/nfs/dbraw/zinc/46/82/09/645468209.db2.gz	ULUBOWYVOGIVRC-UHFFFAOYSA-N	0	0	323.255	2.317	10	5		DEBERN
C/C(=C/C(=O)OC[C@@]1(C)CNC(=O)C1)c1ccc([N+](=O)[O-])cc1	ZINC000802191542	645495264	/nfs/dbraw/zinc/49/52/64/645495264.db2.gz	INPXFMOBWOJBNM-MRDWYFFCSA-N	0	0	318.329	2.068	10	5		DEBERN
C[C@H](OC(=O)CCCCNC(N)=O)c1ccc([N+](=O)[O-])cc1	ZINC000103675953	645515920	/nfs/dbraw/zinc/51/59/20/645515920.db2.gz	QFWQTEROWAPKAL-JTQLQIEISA-N	0	0	309.322	2.038	10	5		DEBERN
O=C(CCn1cc([N+](=O)[O-])cn1)OC[C@@H]1Cc2ccccc21	ZINC000803321322	645635388	/nfs/dbraw/zinc/63/53/88/645635388.db2.gz	JUHKLOYHIPEWGX-LBPRGKRZSA-N	0	0	301.302	2.065	10	5		DEBERN
Cc1nn(C)cc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1	ZINC000172756070	646749531	/nfs/dbraw/zinc/74/95/31/646749531.db2.gz	KUOUHFNXZXWFDJ-UHFFFAOYSA-N	0	0	319.277	2.106	10	5		DEBERN
C[C@@H]1C[C@H]1COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000063246604	646762449	/nfs/dbraw/zinc/76/24/49/646762449.db2.gz	UYTFVCGRLXOBGI-NEPJUHHUSA-N	0	0	320.345	2.244	10	5		DEBERN
COc1cccc([C@H](C)OC(=O)CCn2cc([N+](=O)[O-])cn2)c1	ZINC000174850873	648018479	/nfs/dbraw/zinc/01/84/79/648018479.db2.gz	KUMWOISZZFHPHI-NSHDSACASA-N	0	0	319.317	2.494	10	5		DEBERN
CC(C)C(=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-]	ZINC000107415981	651442500	/nfs/dbraw/zinc/44/25/00/651442500.db2.gz	OZMILTOLDZEBIO-GFCCVEGCSA-N	0	0	320.345	2.399	10	5		DEBERN
O=C(CCn1cc([N+](=O)[O-])cn1)OCCc1ccc(F)cc1	ZINC000077944253	683957850	/nfs/dbraw/zinc/95/78/50/683957850.db2.gz	MWUSUHKIVZZXET-UHFFFAOYSA-N	0	0	307.281	2.106	10	5		DEBERN
O=[N+]([O-])c1ccnn1CNC1(c2noc(C3CC3)n2)CCCC1	ZINC000132266477	684207073	/nfs/dbraw/zinc/20/70/73/684207073.db2.gz	NJEJGVWSTJHJEE-UHFFFAOYSA-N	0	0	318.337	2.068	10	5		DEBERN
C[C@@H](O)c1ccn(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n1	ZINC000133797546	684223211	/nfs/dbraw/zinc/22/32/11/684223211.db2.gz	VNIUFLNWLTWLRX-MRVPVSSYSA-N	0	0	324.724	2.137	10	5		DEBERN
CC(C)(CNc1c(F)cccc1[N+](=O)[O-])CS(C)(=O)=O	ZINC000723878346	777198108	/nfs/dbraw/zinc/19/81/08/777198108.db2.gz	AGENBRQMEFHTOT-UHFFFAOYSA-N	0	0	304.343	2.217	10	5		DEBERN
CCOC(=O)[C@@H](C)OC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1	ZINC000588447900	777209963	/nfs/dbraw/zinc/20/99/63/777209963.db2.gz	ACDRRFLTPXWLGF-DWOQACPDSA-N	0	0	307.302	2.493	10	5		DEBERN
CS[C@H](CO)[C@H](C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000228244743	796666649	/nfs/dbraw/zinc/66/66/49/796666649.db2.gz	CFDCWPYOMCTCGA-OIBJUYFYSA-N	0	0	318.782	2.090	10	5		DEBERN
O=[N+]([O-])c1cnc(N[C@@H]2CCC[C@@H]2CO)c(Br)c1	ZINC000226360049	1138294781	/nfs/dbraw/zinc/29/47/81/1138294781.db2.gz	RASQAZOAAOKBSV-GMSGAONNSA-N	0	0	316.155	2.325	10	5		DEBERN
CCCCOCCNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1	ZINC000050710514	1078476558	/nfs/dbraw/zinc/47/65/58/1078476558.db2.gz	BVFURUMJAJQELF-UHFFFAOYSA-N	0	0	315.757	2.377	10	5		DEBERN
O=[N+]([O-])c1cnccc1NCc1ncc(Br)s1	ZINC000714935999	1078827875	/nfs/dbraw/zinc/82/78/75/1078827875.db2.gz	DISPXMCSVKLBSA-UHFFFAOYSA-N	0	0	315.152	2.243	10	5		DEBERN
Cc1nc2ccccn2c1CNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000075300904	1080237566	/nfs/dbraw/zinc/23/75/66/1080237566.db2.gz	RXOGCLGNDDBBJW-UHFFFAOYSA-N	0	0	310.313	2.481	10	5		DEBERN
CN1CCOC[C@@H]1CNc1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000700131874	1086309035	/nfs/dbraw/zinc/30/90/35/1086309035.db2.gz	PKJZOHBRHZNMHZ-QMMMGPOBSA-N	0	0	303.721	2.130	10	5		DEBERN
COC1(OC)CC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl	ZINC000711442597	1087113675	/nfs/dbraw/zinc/11/36/75/1087113675.db2.gz	YIHOCRYGKIRYRL-LBPRGKRZSA-N	0	0	300.742	2.489	10	5		DEBERN
O=[N+]([O-])c1cnc2ccccc2c1N1CC[C@@H](C2OCCO2)C1	ZINC000718995118	1088750370	/nfs/dbraw/zinc/75/03/70/1088750370.db2.gz	WPPJTHGSWHLEFQ-LLVKDONJSA-N	0	0	315.329	2.342	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H](C)C(=O)OC(C)C	ZINC000162169946	197548989	/nfs/dbraw/zinc/54/89/89/197548989.db2.gz	PBGQJWTUFKSYNV-NSHDSACASA-N	0	0	308.334	2.315	10	5		DEBERN
C[C@@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C(C)(C)C	ZINC000162683446	197585247	/nfs/dbraw/zinc/58/52/47/197585247.db2.gz	CPFCMAXFTASCFG-LLVKDONJSA-N	0	0	314.407	2.491	10	5		DEBERN
CCOC(=O)[C@H](C)CN(C(=O)c1cccc([N+](=O)[O-])c1)C1CC1	ZINC000096759741	185386560	/nfs/dbraw/zinc/38/65/60/185386560.db2.gz	YYWWKVXJBMNIKB-LLVKDONJSA-N	0	0	320.345	2.399	10	5		DEBERN
CCCC(=O)NCC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1	ZINC000152245467	282138443	/nfs/dbraw/zinc/13/84/43/282138443.db2.gz	YBCACYHECHJQAY-UHFFFAOYSA-N	0	0	319.361	2.002	10	5		DEBERN
CC(C)C[C@](C)(O)CNC(=O)c1ccnc(Cl)c1[N+](=O)[O-]	ZINC000090272494	185288798	/nfs/dbraw/zinc/28/87/98/185288798.db2.gz	RCJAWRNHSZGRHN-ZDUSSCGKSA-N	0	0	315.757	2.170	10	5		DEBERN
CC(C)N(C(=O)COc1cccc([N+](=O)[O-])c1)C1CCOCC1	ZINC000078183621	534941000	/nfs/dbraw/zinc/94/10/00/534941000.db2.gz	ZAWOHHDIRCSERP-UHFFFAOYSA-N	0	0	322.361	2.390	10	5		DEBERN
CCc1nc2n(n1)C[C@@H](Nc1c(C)cccc1[N+](=O)[O-])CC2	ZINC000108948574	185542641	/nfs/dbraw/zinc/54/26/41/185542641.db2.gz	NPCIUAXLIJCVQF-NSHDSACASA-N	0	0	301.350	2.484	10	5		DEBERN
O=[N+]([O-])c1ccc2cnn(-c3ncc(Br)cn3)c2c1	ZINC000111752157	185633752	/nfs/dbraw/zinc/63/37/52/185633752.db2.gz	DIDHXXTWHVXCLC-UHFFFAOYSA-N	0	0	320.106	2.486	10	5		DEBERN
CNc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1(C)CCCC1	ZINC000084237009	192415571	/nfs/dbraw/zinc/41/55/71/192415571.db2.gz	UHZSKIDRXSRQHN-UHFFFAOYSA-N	0	0	313.379	2.248	10	5		DEBERN
C[C@H](C(=O)Nc1ccc(F)cc1)n1cc([N+](=O)[O-])ccc1=O	ZINC000071515072	190986315	/nfs/dbraw/zinc/98/63/15/190986315.db2.gz	RPNLWCVKMZEXOU-SECBINFHSA-N	0	0	305.265	2.095	10	5		DEBERN
O=[N+]([O-])c1c2ncsc2ccc1NCCCc1nnc[nH]1	ZINC000080606497	192171565	/nfs/dbraw/zinc/17/15/65/192171565.db2.gz	DIVRTTNHUFYHJD-UHFFFAOYSA-N	0	0	304.335	2.367	10	5		DEBERN
CNS(=O)(=O)c1ccc(-c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000071709075	191010863	/nfs/dbraw/zinc/01/08/63/191010863.db2.gz	PFRACQAIBDEXPG-UHFFFAOYSA-N	0	0	306.343	2.478	10	5		DEBERN
CS(=O)(=O)[C@@H]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(F)c2)C1	ZINC000133545659	185994368	/nfs/dbraw/zinc/99/43/68/185994368.db2.gz	PRYFKGJYCBIWDA-MWLCHTKSSA-N	0	0	317.338	2.469	10	5		DEBERN
CN(C1CCC1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1	ZINC000143741763	186034491	/nfs/dbraw/zinc/03/44/91/186034491.db2.gz	MKERBLZWYWSXTQ-UHFFFAOYSA-N	0	0	310.784	2.483	10	5		DEBERN
CS(=O)(=O)[C@H]1CCC[C@@H]1Nc1cc(F)ccc1[N+](=O)[O-]	ZINC000148929723	186046087	/nfs/dbraw/zinc/04/60/87/186046087.db2.gz	KCYBXPCWXMMLER-CABZTGNLSA-N	0	0	302.327	2.112	10	5		DEBERN
CC(C)Oc1nc(N)nc(Sc2ccccc2[N+](=O)[O-])n1	ZINC000150172942	186055500	/nfs/dbraw/zinc/05/55/00/186055500.db2.gz	PBNZIFKEUAJNJL-UHFFFAOYSA-N	0	0	307.335	2.300	10	5		DEBERN
COc1cc(C[S@](=O)c2cccc(N)c2)cc([N+](=O)[O-])c1	ZINC000150168663	186055723	/nfs/dbraw/zinc/05/57/23/186055723.db2.gz	FJTDOIMHWVLRRY-OAQYLSRUSA-N	0	0	306.343	2.493	10	5		DEBERN
CCNc1sc(S(=O)(=O)NC2CC(C)C2)cc1[N+](=O)[O-]	ZINC000163900981	186141364	/nfs/dbraw/zinc/14/13/64/186141364.db2.gz	MXDQOZOQARELRD-UHFFFAOYSA-N	0	0	319.408	2.165	10	5		DEBERN
CCn1cnnc1[C@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1	ZINC000189989497	186259623	/nfs/dbraw/zinc/25/96/23/186259623.db2.gz	SMNPANWOFNBNSN-VIFPVBQESA-N	0	0	308.367	2.047	10	5		DEBERN
Cc1cc(N2CCO[C@H](c3nccs3)C2)ncc1[N+](=O)[O-]	ZINC000266860114	186362595	/nfs/dbraw/zinc/36/25/95/186362595.db2.gz	WIFKNXCIDWQVNJ-NSHDSACASA-N	0	0	306.347	2.333	10	5		DEBERN
COC[C@@H](C)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1	ZINC000173639557	198235559	/nfs/dbraw/zinc/23/55/59/198235559.db2.gz	HRRGXXDGQDGOCZ-GFCCVEGCSA-N	0	0	322.361	2.247	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)C(=O)OC(C)C	ZINC000174114599	198294000	/nfs/dbraw/zinc/29/40/00/198294000.db2.gz	HDICXBYOCQDVJR-NSHDSACASA-N	0	0	308.334	2.221	10	5		DEBERN
C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc2c(c1)OCO2	ZINC000020448632	354046661	/nfs/dbraw/zinc/04/66/61/354046661.db2.gz	AVHBSXDIAIXHSI-QMMMGPOBSA-N	0	0	304.258	2.408	10	5		DEBERN
Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)C(C)C)ccc1[N+](=O)[O-]	ZINC000182414887	199435028	/nfs/dbraw/zinc/43/50/28/199435028.db2.gz	MXGAAOOLZQEGJG-AWEZNQCLSA-N	0	0	319.361	2.489	10	5		DEBERN
CCc1cnc(CCNc2ccc([N+](=O)[O-])cc2C(N)=O)s1	ZINC000078513237	355264982	/nfs/dbraw/zinc/26/49/82/355264982.db2.gz	BSBDICYXZKQVAE-UHFFFAOYSA-N	0	0	320.374	2.367	10	5		DEBERN
CCOc1cc(N2CCC(C(=O)N(C)C)CC2)ccc1[N+](=O)[O-]	ZINC000080764002	355384430	/nfs/dbraw/zinc/38/44/30/355384430.db2.gz	XQVBMTKLJLCLGU-UHFFFAOYSA-N	0	0	321.377	2.298	10	5		DEBERN
CC[C@H](Nc1ccc(Br)cc1[N+](=O)[O-])C(N)=O	ZINC000115828826	355771306	/nfs/dbraw/zinc/77/13/06/355771306.db2.gz	CZYMGALOFHOZMD-ZETCQYMHSA-N	0	0	302.128	2.033	10	5		DEBERN
Cc1ccc([C@@H](C)NCc2nnnn2C(C)C)cc1[N+](=O)[O-]	ZINC000181841468	356098692	/nfs/dbraw/zinc/09/86/92/356098692.db2.gz	HPOOUMOQUZIBPM-LLVKDONJSA-N	0	0	304.354	2.321	10	5		DEBERN
O=[N+]([O-])c1ccc2c(c1)ncn2S(=O)(=O)c1ccc(F)cc1	ZINC000005569733	181258487	/nfs/dbraw/zinc/25/84/87/181258487.db2.gz	KRDDJQJTDATXJC-UHFFFAOYSA-N	0	0	321.289	2.321	10	5		DEBERN
CCOC(=O)c1cc(I)ccc1[N+](=O)[O-]	ZINC000238257985	356302862	/nfs/dbraw/zinc/30/28/62/356302862.db2.gz	CERLIDWRLIIKCY-UHFFFAOYSA-N	0	0	321.070	2.376	10	5		DEBERN
C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000081451138	192269013	/nfs/dbraw/zinc/26/90/13/192269013.db2.gz	GTCDLYAGDAHHLY-SNVBAGLBSA-N	0	0	308.334	2.397	10	5		DEBERN
C[C@@H]1CCC[C@](O)(CNc2ncnc(Cl)c2[N+](=O)[O-])C1	ZINC000087087901	192622460	/nfs/dbraw/zinc/62/24/60/192622460.db2.gz	RPUIETQCFAUBMV-PRHODGIISA-N	0	0	300.746	2.391	10	5		DEBERN
COC[C@@H]1CN(c2nc(C)cc(C)c2[N+](=O)[O-])CC(C)(C)O1	ZINC000585780803	357354438	/nfs/dbraw/zinc/35/44/38/357354438.db2.gz	XGGLSLXJVUYIOJ-LBPRGKRZSA-N	0	0	309.366	2.237	10	5		DEBERN
CCc1n[nH]cc1C(=O)N(C)CCc1ccccc1[N+](=O)[O-]	ZINC000586865457	357377806	/nfs/dbraw/zinc/37/78/06/357377806.db2.gz	GQKVXQQGLPXSAO-UHFFFAOYSA-N	0	0	302.334	2.195	10	5		DEBERN
CC(=O)c1cc(N2C[C@H](O)CC(F)(F)C2)ccc1[N+](=O)[O-]	ZINC000588029129	357390159	/nfs/dbraw/zinc/39/01/59/357390159.db2.gz	MYITWOKVUPSOJK-SNVBAGLBSA-N	0	0	300.261	2.004	10	5		DEBERN
C[C@H]1C[C@@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)CC(C)(C)C1	ZINC000180490031	199166343	/nfs/dbraw/zinc/16/63/43/199166343.db2.gz	SGYRHDYGTYHLMF-NWDGAFQWSA-N	0	0	308.382	2.370	10	5		DEBERN
O=C(c1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1nc[nH]n1	ZINC000181194463	199263947	/nfs/dbraw/zinc/26/39/47/199263947.db2.gz	WMXGCPRINSUNLK-GFCCVEGCSA-N	0	0	301.306	2.080	10	5		DEBERN
CCS(=O)(=O)C1(CNc2ncc([N+](=O)[O-])cc2Cl)CC1	ZINC000596522232	358705737	/nfs/dbraw/zinc/70/57/37/358705737.db2.gz	YTGVWDUUWUUVPT-UHFFFAOYSA-N	0	0	319.770	2.022	10	5		DEBERN
O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCc1ccccc1	ZINC000005946992	181299179	/nfs/dbraw/zinc/29/91/79/181299179.db2.gz	OCZZWIJFXFWCRB-UHFFFAOYSA-N	0	0	315.285	2.362	10	5		DEBERN
CC(=O)c1cc(N[C@@H]2CCN(C3CCC3)C2=O)ccc1[N+](=O)[O-]	ZINC000599208116	359433921	/nfs/dbraw/zinc/43/39/21/359433921.db2.gz	ZQVABRBJWHAIHE-CQSZACIVSA-N	0	0	317.345	2.363	10	5		DEBERN
C[C@@H](NC(=O)N(C)CC1(CO)CC1)c1cccc([N+](=O)[O-])c1	ZINC000186981997	200043252	/nfs/dbraw/zinc/04/32/52/200043252.db2.gz	SCBNBEVERNWQCD-LLVKDONJSA-N	0	0	307.350	2.070	10	5		DEBERN
CCCN1CCN(Cc2csc([N+](=O)[O-])c2)C(C)(C)C1=O	ZINC000187881886	200171088	/nfs/dbraw/zinc/17/10/88/200171088.db2.gz	PVJIDXJKFLGNNJ-UHFFFAOYSA-N	0	0	311.407	2.489	10	5		DEBERN
COc1ccc([N+](=O)[O-])c(N2CC[C@@H](c3cnn(C)c3)C2)c1	ZINC000610250087	361373831	/nfs/dbraw/zinc/37/38/31/361373831.db2.gz	ZUSWZEAHGHAEDV-LLVKDONJSA-N	0	0	302.334	2.331	10	5		DEBERN
CCOc1ccc(C(=O)N2CCC(=O)[C@@H](C)C2)cc1[N+](=O)[O-]	ZINC000193926852	201146406	/nfs/dbraw/zinc/14/64/06/201146406.db2.gz	PUSULTWYQCKYRU-JTQLQIEISA-N	0	0	306.318	2.045	10	5		DEBERN
Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN2CCCC[C@@H]2C1	ZINC000194496796	201239154	/nfs/dbraw/zinc/23/91/54/201239154.db2.gz	APMFUPZOADWPMJ-CYBMUJFWSA-N	0	0	303.362	2.214	10	5		DEBERN
COCc1nn(-c2nc3ccccc3[nH]2)c(Cl)c1[N+](=O)[O-]	ZINC000091559363	193073884	/nfs/dbraw/zinc/07/38/84/193073884.db2.gz	PLXKFFSRYBLRGR-UHFFFAOYSA-N	0	0	307.697	2.457	10	5		DEBERN
CC[C@@H](C)CN(CC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1N	ZINC000093265205	193222743	/nfs/dbraw/zinc/22/27/43/193222743.db2.gz	DYUOJCFCYBQSEH-SNVBAGLBSA-N	0	0	315.395	2.234	10	5		DEBERN
O=[N+]([O-])c1ccc(Cl)cc1Cn1ncnc1CNC1CC1	ZINC000093634080	193277223	/nfs/dbraw/zinc/27/72/23/193277223.db2.gz	VGSUDPRCKBFCEX-UHFFFAOYSA-N	0	0	307.741	2.140	10	5		DEBERN
[NH3+][C@@H](CCSCc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000093633086	193277354	/nfs/dbraw/zinc/27/73/54/193277354.db2.gz	LSPHFIPIBLOKCW-VIFPVBQESA-N	0	0	304.755	2.283	10	5		DEBERN
C[NH2+][C@@]1(C(=O)[O-])CC[C@@H](Oc2cc([N+](=O)[O-])ccc2Cl)C1	ZINC000093847792	193317196	/nfs/dbraw/zinc/31/71/96/193317196.db2.gz	AKQOFIUXNFEGSD-RNCFNFMXSA-N	0	0	314.725	2.222	10	5		DEBERN
CN[C@]1(C(=O)OC)CC[C@H](Sc2ccc([N+](=O)[O-])cc2)C1	ZINC000093848693	193317601	/nfs/dbraw/zinc/31/76/01/193317601.db2.gz	BSBINFLGJYIWSV-GXTWGEPZSA-N	0	0	310.375	2.371	10	5		DEBERN
Cc1nn(-c2ccc([N+](=O)[O-])c(N)n2)c(C)c1Br	ZINC000094262083	193355337	/nfs/dbraw/zinc/35/53/37/193355337.db2.gz	XCRKHDBLQQOMHR-UHFFFAOYSA-N	0	0	312.127	2.137	10	5		DEBERN
CC(C)(C)C(=O)CNC(=O)c1c(F)ccc([N+](=O)[O-])c1F	ZINC000094190569	193347727	/nfs/dbraw/zinc/34/77/27/193347727.db2.gz	IBZXUPMDCZAAPI-UHFFFAOYSA-N	0	0	300.261	2.218	10	5		DEBERN
CCCNc1cc(C)c(S(=O)(=O)NCC)cc1[N+](=O)[O-]	ZINC000094780445	193398134	/nfs/dbraw/zinc/39/81/34/193398134.db2.gz	LVCMMKJNVRALNM-UHFFFAOYSA-N	0	0	301.368	2.023	10	5		DEBERN
CC(C)CCOC(=O)CN1C(=O)CCc2cc([N+](=O)[O-])ccc21	ZINC000096541489	193677436	/nfs/dbraw/zinc/67/74/36/193677436.db2.gz	KQGNBCZOQPLYCJ-UHFFFAOYSA-N	0	0	320.345	2.463	10	5		DEBERN
CCCOc1ccc(/C=C/C(=O)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000096574624	193680478	/nfs/dbraw/zinc/68/04/78/193680478.db2.gz	DQZBAUNWZPEXIP-GQCTYLIASA-N	0	0	320.345	2.256	10	5		DEBERN
CCCN1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1	ZINC000021009225	182259288	/nfs/dbraw/zinc/25/92/88/182259288.db2.gz	ONBITSCWPSDDNZ-UHFFFAOYSA-N	0	0	311.769	2.416	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCCO1	ZINC000152605410	296226743	/nfs/dbraw/zinc/22/67/43/296226743.db2.gz	AZYUEWSJOQCKIH-UHFFFAOYSA-N	0	0	301.096	2.135	10	5		DEBERN
CCOc1ccc(C(=O)NCc2cnc(C)o2)cc1[N+](=O)[O-]	ZINC000458060468	248131759	/nfs/dbraw/zinc/13/17/59/248131759.db2.gz	POLBFVLNPMGUAC-UHFFFAOYSA-N	0	0	305.290	2.220	10	5		DEBERN
COCCNc1ncnc(Oc2ccccc2OC)c1[N+](=O)[O-]	ZINC000040657026	183114801	/nfs/dbraw/zinc/11/48/01/183114801.db2.gz	DKFQQFDYGBSOBB-UHFFFAOYSA-N	0	0	320.305	2.244	10	5		DEBERN
C[C@H]1COC[C@H](C)N1C(=O)c1cc([N+](=O)[O-])c(F)c(F)c1F	ZINC000041114549	183166579	/nfs/dbraw/zinc/16/65/79/183166579.db2.gz	YHJSCSVDIJIRIN-BQBZGAKWSA-N	0	0	318.251	2.262	10	5		DEBERN
CC(C)N(CC(N)=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000042441194	183270132	/nfs/dbraw/zinc/27/01/32/183270132.db2.gz	ZMIFHROEFRXPBC-UHFFFAOYSA-N	0	0	316.155	2.057	10	5		DEBERN
CCc1ccc([C@H](C)NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1	ZINC000043269138	183349820	/nfs/dbraw/zinc/34/98/20/183349820.db2.gz	TWWXKWCLLPCLRG-NSHDSACASA-N	0	0	302.334	2.231	10	5		DEBERN
O=[N+]([O-])c1cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2c([N+](=O)[O-])c1	ZINC000043427356	183361437	/nfs/dbraw/zinc/36/14/37/183361437.db2.gz	BFMBQYIQQLBGJA-UHFFFAOYSA-N	0	0	308.162	2.473	10	5		DEBERN
CCN[C@@](C)(COc1ccc([N+](=O)[O-])cc1Cl)C(=O)OC	ZINC000045462468	183510359	/nfs/dbraw/zinc/51/03/59/183510359.db2.gz	CVXRXCJKEUSNGU-ZDUSSCGKSA-N	0	0	316.741	2.168	10	5		DEBERN
O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H](Cn2cncn2)C1	ZINC000105884592	194158191	/nfs/dbraw/zinc/15/81/91/194158191.db2.gz	CSYYDRXUZSEQMI-GFCCVEGCSA-N	0	0	319.340	2.238	10	5		DEBERN
CCNc1ccc(S(=O)(=O)N(C)[C@H](C)CC)cc1[N+](=O)[O-]	ZINC000050651303	183794335	/nfs/dbraw/zinc/79/43/35/183794335.db2.gz	OXVMMQRBBDMOBC-SNVBAGLBSA-N	0	0	315.395	2.446	10	5		DEBERN
CCCNc1ccc(S(=O)(=O)N(C)CC)cc1[N+](=O)[O-]	ZINC000050651681	183794696	/nfs/dbraw/zinc/79/46/96/183794696.db2.gz	CXJCGCTZWMQNKM-UHFFFAOYSA-N	0	0	301.368	2.057	10	5		DEBERN
CCCNc1ccc(S(=O)(=O)N(C)C2CC2)c([N+](=O)[O-])c1	ZINC000050651874	183794755	/nfs/dbraw/zinc/79/47/55/183794755.db2.gz	MQTQOWZAIHWOTQ-UHFFFAOYSA-N	0	0	313.379	2.200	10	5		DEBERN
O=[N+]([O-])c1cc(Cl)c(-n2cc(CCO)nn2)c(Cl)c1	ZINC000052221060	183854886	/nfs/dbraw/zinc/85/48/86/183854886.db2.gz	CTZPAMRSDCPQSF-UHFFFAOYSA-N	0	0	303.105	2.017	10	5		DEBERN
O=C(c1ccccc1[N+](=O)[O-])N1CCO[C@H](c2nccs2)C1	ZINC000110886217	194367121	/nfs/dbraw/zinc/36/71/21/194367121.db2.gz	BCJYZMUEFPRDNL-LBPRGKRZSA-N	0	0	319.342	2.265	10	5		DEBERN
Cc1nc(N)sc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-]	ZINC000055173683	183968354	/nfs/dbraw/zinc/96/83/54/183968354.db2.gz	KCSKWCQYDHJAEB-UHFFFAOYSA-N	0	0	306.347	2.214	10	5		DEBERN
CC(C)(CCO)Nc1ncc([N+](=O)[O-])cc1Br	ZINC000158682960	197293784	/nfs/dbraw/zinc/29/37/84/197293784.db2.gz	SDNVDFNCCKYMKM-UHFFFAOYSA-N	0	0	304.144	2.325	10	5		DEBERN
O=[N+]([O-])c1ccc2nc(N[C@H]3CCc4ncnn4C3)ccc2c1	ZINC000108947949	285151986	/nfs/dbraw/zinc/15/19/86/285151986.db2.gz	PMOGYTZHQBQRFR-NSHDSACASA-N	0	0	310.317	2.161	10	5		DEBERN
CCNc1ncnc(-n2ccc(C(F)(F)F)n2)c1[N+](=O)[O-]	ZINC000157774054	197215222	/nfs/dbraw/zinc/21/52/22/197215222.db2.gz	SMPRYXOFHKKUBE-UHFFFAOYSA-N	0	0	302.216	2.021	10	5		DEBERN
Cc1cc([N+](=O)[O-])c(Cl)cc1NC[C@H]1CCS(=O)(=O)C1	ZINC000157679085	197207007	/nfs/dbraw/zinc/20/70/07/197207007.db2.gz	BJVGZPZATWCVFT-SECBINFHSA-N	0	0	318.782	2.403	10	5		DEBERN
CNc1cccc(S(=O)(=O)NCCC2CCC2)c1[N+](=O)[O-]	ZINC000157232811	197171539	/nfs/dbraw/zinc/17/15/39/197171539.db2.gz	YAQURUDPCDYMSY-UHFFFAOYSA-N	0	0	313.379	2.105	10	5		DEBERN
O=[N+]([O-])c1cnc2ccc(N3CCC[C@@]4(CCCOC4)C3)nn21	ZINC000408062717	285185664	/nfs/dbraw/zinc/18/56/64/285185664.db2.gz	ZMEQFFNRFAHKQE-OAHLLOKOSA-N	0	0	317.349	2.035	10	5		DEBERN
CCOc1cccc([N+](=O)[O-])c1C(=O)NOCC(F)(F)F	ZINC000156158245	197091049	/nfs/dbraw/zinc/09/10/49/197091049.db2.gz	NLPBXFYAMROZME-UHFFFAOYSA-N	0	0	308.212	2.217	10	5		DEBERN
O=C(NC[C@@H]1CCC[C@H]1CO)c1cccc(Cl)c1[N+](=O)[O-]	ZINC000155981687	197078584	/nfs/dbraw/zinc/07/85/84/197078584.db2.gz	MHBCMXLFNMKXNM-UWVGGRQHSA-N	0	0	312.753	2.387	10	5		DEBERN
C[C@H](c1cccc([N+](=O)[O-])c1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000155337582	197045430	/nfs/dbraw/zinc/04/54/30/197045430.db2.gz	RGKALVOTVRJFFL-LLVKDONJSA-N	0	0	312.391	2.165	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C	ZINC000121155826	195300309	/nfs/dbraw/zinc/30/03/09/195300309.db2.gz	MSNBSZXWPOAFAI-WFASDCNBSA-N	0	0	305.378	2.315	10	5		DEBERN
CNc1sc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-]	ZINC000125371677	195741807	/nfs/dbraw/zinc/74/18/07/195741807.db2.gz	SQAONTUZUSTTEV-MRVPVSSYSA-N	0	0	319.408	2.119	10	5		DEBERN
O=C(NCc1ccc([N+](=O)[O-])cc1)c1cnn2c1CCCC2	ZINC000126355162	195831502	/nfs/dbraw/zinc/83/15/02/195831502.db2.gz	CILMHDLVVZFIHC-UHFFFAOYSA-N	0	0	300.318	2.058	10	5		DEBERN
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCCCCO2)c1C	ZINC000408288342	291994240	/nfs/dbraw/zinc/99/42/40/291994240.db2.gz	XFNGNUVGSLYZBH-UHFFFAOYSA-N	0	0	314.363	2.318	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)Oc1ccccc1	ZINC000113825042	144636098	/nfs/dbraw/zinc/63/60/98/144636098.db2.gz	XJBDXTDZQWTSSN-LLVKDONJSA-N	0	0	315.329	2.496	10	5		DEBERN
COc1cnccc1[C@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000189681506	145031782	/nfs/dbraw/zinc/03/17/82/145031782.db2.gz	PYAQDTYPPXMOKY-NSHDSACASA-N	0	0	315.329	2.418	10	5		DEBERN
CCN1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1=O	ZINC000191837512	145065736	/nfs/dbraw/zinc/06/57/36/145065736.db2.gz	DVJSEYLFXOKZHW-UHFFFAOYSA-N	0	0	315.329	2.476	10	5		DEBERN
O=[N+]([O-])c1cnc(N2CC[C@H](c3nc(C4CC4)no3)C2)s1	ZINC000375256949	148349171	/nfs/dbraw/zinc/34/91/71/148349171.db2.gz	CAVIVZPTFMUYNB-QMMMGPOBSA-N	0	0	307.335	2.306	10	5		DEBERN
CSc1ccc([N+](=O)[O-])c(C(=O)N2[C@H](C)CN(C)C[C@H]2C)c1	ZINC000127164557	401722862	/nfs/dbraw/zinc/72/28/62/401722862.db2.gz	XMHGKJJALGBEJK-GHMZBOCLSA-N	0	0	323.418	2.481	10	5		DEBERN
Cc1nn(C)c(C(=O)N2CCC[C@H]2c2ccco2)c1[N+](=O)[O-]	ZINC000116039223	401840678	/nfs/dbraw/zinc/84/06/78/401840678.db2.gz	QLVGLZIZCMSFJY-JTQLQIEISA-N	0	0	304.306	2.207	10	5		DEBERN
Cc1ccc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1[N+](=O)[O-]	ZINC000116116253	401842426	/nfs/dbraw/zinc/84/24/26/401842426.db2.gz	UNGHFPCEZKPCKN-CYBMUJFWSA-N	0	0	314.345	2.266	10	5		DEBERN
Cn1cc([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)cn1	ZINC000116115112	401842491	/nfs/dbraw/zinc/84/24/91/401842491.db2.gz	RNRCOOPPKOIYTC-JTQLQIEISA-N	0	0	318.308	2.097	10	5		DEBERN
Cn1cc([C@H]2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C2)cn1	ZINC000116116775	401842593	/nfs/dbraw/zinc/84/25/93/401842593.db2.gz	IWFDHJYDFLCBNJ-JTQLQIEISA-N	0	0	318.308	2.097	10	5		DEBERN
Cc1cnn(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1	ZINC000117809871	401885404	/nfs/dbraw/zinc/88/54/04/401885404.db2.gz	PVTCVHXAWDFQRA-UHFFFAOYSA-N	0	0	322.752	2.112	10	5		DEBERN
CSc1ccc([N+](=O)[O-])c(C(=O)NCCn2cc(C)cn2)c1	ZINC000117816546	401885533	/nfs/dbraw/zinc/88/55/33/401885533.db2.gz	SFSYBDDMKGNRLN-UHFFFAOYSA-N	0	0	320.374	2.252	10	5		DEBERN
CC(C)NC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCC[C@H]12	ZINC000035894304	401901390	/nfs/dbraw/zinc/90/13/90/401901390.db2.gz	MUNZHHTXINBJSZ-DZGCQCFKSA-N	0	0	303.362	2.261	10	5		DEBERN
C[C@H](O)C1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1	ZINC000118729173	401905756	/nfs/dbraw/zinc/90/57/56/401905756.db2.gz	PDSJBBCKYGWIBZ-LBPRGKRZSA-N	0	0	321.377	2.016	10	5		DEBERN
Cc1ccc([C@@H](C)OC(=O)[C@H](C)n2cncn2)cc1[N+](=O)[O-]	ZINC000084809136	401910274	/nfs/dbraw/zinc/91/02/74/401910274.db2.gz	NDOKNTCGKCZEMU-WDEREUQCSA-N	0	0	304.306	2.360	10	5		DEBERN
CCCC[C@H](NC(=O)NCC)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000136254356	401964575	/nfs/dbraw/zinc/96/45/75/401964575.db2.gz	DIVQOUKPIKCYRQ-ZDUSSCGKSA-N	0	0	322.365	2.411	10	5		DEBERN
CCOC(=O)CC[C@H](C)NC(=O)c1cccc(C)c1[N+](=O)[O-]	ZINC000089804444	401965490	/nfs/dbraw/zinc/96/54/90/401965490.db2.gz	BUZXAMCEJUXHDS-NSHDSACASA-N	0	0	308.334	2.365	10	5		DEBERN
COCCOCCCCNc1ncc([N+](=O)[O-])cc1Cl	ZINC000122733271	402092293	/nfs/dbraw/zinc/09/22/93/402092293.db2.gz	QCPBDLNEHXABHM-UHFFFAOYSA-N	0	0	303.746	2.498	10	5		DEBERN
CC(C)OC[C@H](O)COc1ccc([N+](=O)[O-])c2cccnc12	ZINC000152562207	402100332	/nfs/dbraw/zinc/10/03/32/402100332.db2.gz	KKKFPEGSXJIUSY-NSHDSACASA-N	0	0	306.318	2.308	10	5		DEBERN
CC[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC000098117692	402137985	/nfs/dbraw/zinc/13/79/85/402137985.db2.gz	CCERAORZGKGMEY-VIFPVBQESA-N	0	0	304.393	2.467	10	5		DEBERN
COC(=O)/C=C/c1ccc(N[C@@H](C)CCCO)c([N+](=O)[O-])c1	ZINC000153900137	402178625	/nfs/dbraw/zinc/17/86/25/402178625.db2.gz	WNNCYYJSCFPUJH-IOCXFXADSA-N	0	0	308.334	2.354	10	5		DEBERN
CCN(CCS(C)(=O)=O)[C@@H](C)c1cccc([N+](=O)[O-])c1	ZINC000154244310	402201318	/nfs/dbraw/zinc/20/13/18/402201318.db2.gz	OYWNUPALYVWRTM-NSHDSACASA-N	0	0	300.380	2.022	10	5		DEBERN
C[C@@H]1CO[C@@H](c2ccccc2)CN1CCn1ccc([N+](=O)[O-])n1	ZINC000176227385	402292373	/nfs/dbraw/zinc/29/23/73/402292373.db2.gz	UTPRMZAEHUCTIP-UKRRQHHQSA-N	0	0	316.361	2.253	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H](CO)CC(C)C	ZINC000185313402	402342666	/nfs/dbraw/zinc/34/26/66/402342666.db2.gz	QPJQUWKYQRHQSU-CQSZACIVSA-N	0	0	323.393	2.181	10	5		DEBERN
CC(C)[C@@H](O)CNc1c(Br)cncc1[N+](=O)[O-]	ZINC000232687050	402358071	/nfs/dbraw/zinc/35/80/71/402358071.db2.gz	YTRRDYYGZFVPPN-VIFPVBQESA-N	0	0	304.144	2.181	10	5		DEBERN
CC1(C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCS1	ZINC000177036783	402362346	/nfs/dbraw/zinc/36/23/46/402362346.db2.gz	KNDPCZPGJKDSHZ-UHFFFAOYSA-N	0	0	322.433	2.172	10	5		DEBERN
Cc1nccn1C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1	ZINC000177137572	402373851	/nfs/dbraw/zinc/37/38/51/402373851.db2.gz	SRXIDTFODXXYOB-NSHDSACASA-N	0	0	320.374	2.466	10	5		DEBERN
COC[C@H](O)CN(C)c1c(Cl)cc([N+](=O)[O-])cc1Cl	ZINC000226741497	402329743	/nfs/dbraw/zinc/32/97/43/402329743.db2.gz	XTBGIJMSQBUUAR-MRVPVSSYSA-N	0	0	309.149	2.345	10	5		DEBERN
Cc1cc(C[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2C)[nH]n1	ZINC000162064133	402408632	/nfs/dbraw/zinc/40/86/32/402408632.db2.gz	VCSHCOFAGUYXOE-SNVBAGLBSA-N	0	0	302.334	2.296	10	5		DEBERN
CCN(CC(F)F)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-]	ZINC000186454065	402432427	/nfs/dbraw/zinc/43/24/27/402432427.db2.gz	HWKQBFSWQFQHLS-UHFFFAOYSA-N	0	0	308.306	2.179	10	5		DEBERN
Cc1cc(C(=O)N2CCC[C@@H]2Cn2ccnc2)ccc1[N+](=O)[O-]	ZINC000177757148	402432993	/nfs/dbraw/zinc/43/29/93/402432993.db2.gz	DQIXHYKTJOAHBB-CQSZACIVSA-N	0	0	314.345	2.405	10	5		DEBERN
Cc1nc2cc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)ccc2o1	ZINC000186825964	402466071	/nfs/dbraw/zinc/46/60/71/402466071.db2.gz	UVGKEYXEMZXMCV-UHFFFAOYSA-N	0	0	314.257	2.397	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(N[C@H]2CCc3nc(C(C)C)nn3C2)n1	ZINC000178214953	402471653	/nfs/dbraw/zinc/47/16/53/402471653.db2.gz	GTYZGQLTBKODIY-NSHDSACASA-N	0	0	316.365	2.440	10	5		DEBERN
COC(=O)c1cncc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000178396362	402493455	/nfs/dbraw/zinc/49/34/55/402493455.db2.gz	XICNDLISJYAIRW-UHFFFAOYSA-N	0	0	301.258	2.029	10	5		DEBERN
CCN(C[C@H](O)C(F)(F)F)C(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000189895592	402565884	/nfs/dbraw/zinc/56/58/84/402565884.db2.gz	AQPHULRLDZUGLL-NSHDSACASA-N	0	0	320.267	2.289	10	5		DEBERN
CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1	ZINC000246190289	402517507	/nfs/dbraw/zinc/51/75/07/402517507.db2.gz	DJSQBTOORRTRAH-ILXRZTDVSA-N	0	0	320.345	2.003	10	5		DEBERN
C[C@H]1CC(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1	ZINC000179461722	402590978	/nfs/dbraw/zinc/59/09/78/402590978.db2.gz	JELJULAWOIBEFL-RYUDHWBXSA-N	0	0	306.362	2.457	10	5		DEBERN
COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](C)[C@H](OC)C1	ZINC000190410384	402598787	/nfs/dbraw/zinc/59/87/87/402598787.db2.gz	MYQZZUNUUULLRI-QMTHXVAHSA-N	0	0	323.349	2.492	10	5		DEBERN
Cc1nc2cc(NC(=O)c3cc([N+](=O)[O-])cnc3N)ccc2o1	ZINC000180509841	402618490	/nfs/dbraw/zinc/61/84/90/402618490.db2.gz	QRZMDTMLWIXEMY-UHFFFAOYSA-N	0	0	313.273	2.274	10	5		DEBERN
COc1cc(CN2CC[C@@H](C)[C@H](OC)C2)c([N+](=O)[O-])cc1OC	ZINC000249176754	402622902	/nfs/dbraw/zinc/62/29/02/402622902.db2.gz	MGPKRJXFDAQQQG-BDJLRTHQSA-N	0	0	324.377	2.469	10	5		DEBERN
CCc1nc(CNC(=O)c2c(N)cccc2[N+](=O)[O-])cs1	ZINC000180763665	402624922	/nfs/dbraw/zinc/62/49/22/402624922.db2.gz	ZCILRGOJEURAOV-UHFFFAOYSA-N	0	0	306.347	2.126	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1[C@H](C)CC(O)C[C@H]1C	ZINC000191178807	402648791	/nfs/dbraw/zinc/64/87/91/402648791.db2.gz	XYULHWPJMNNUIV-VXGBXAGGSA-N	0	0	321.377	2.075	10	5		DEBERN
CSC[C@](C)(O)CNC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1	ZINC000182804507	402717292	/nfs/dbraw/zinc/71/72/92/402717292.db2.gz	VQBUWSSTFFKJSR-KUCQQTCKSA-N	0	0	324.402	2.228	10	5		DEBERN
CCn1cc([C@H]2CN(Cc3csc([N+](=O)[O-])c3)CCO2)cn1	ZINC000191715866	402688529	/nfs/dbraw/zinc/68/85/29/402688529.db2.gz	YUSXHKXBKBJKRF-CYBMUJFWSA-N	0	0	322.390	2.446	10	5		DEBERN
CC[C@@H](NS(=O)(=O)[C@H](C)COC)c1cccc([N+](=O)[O-])c1	ZINC000175113427	402780206	/nfs/dbraw/zinc/78/02/06/402780206.db2.gz	CWFCJTSKTNPVGC-ZWNOBZJWSA-N	0	0	316.379	2.000	10	5		DEBERN
CCOc1ncccc1CNC(=O)c1cc([N+](=O)[O-])cnc1C	ZINC000192820889	402752025	/nfs/dbraw/zinc/75/20/25/402752025.db2.gz	ARFYPXSRYZTKNS-UHFFFAOYSA-N	0	0	316.317	2.022	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1CN1CCN(c2cnccn2)CC1	ZINC000183272318	402752504	/nfs/dbraw/zinc/75/25/04/402752504.db2.gz	OCPFBYSRKKWUHP-UHFFFAOYSA-N	0	0	313.361	2.015	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@](C)(O)C1	ZINC000183614259	402781729	/nfs/dbraw/zinc/78/17/29/402781729.db2.gz	NPCHOCHEPBXGOR-YBHKSSGVSA-N	0	0	304.346	2.372	10	5		DEBERN
Cc1cccc(CNC(=O)CCOc2ccccc2[N+](=O)[O-])n1	ZINC000194340330	402792932	/nfs/dbraw/zinc/79/29/32/402792932.db2.gz	GSDFTLOMMVMEHL-UHFFFAOYSA-N	0	0	315.329	2.384	10	5		DEBERN
CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2n[nH]cc2C1	ZINC000273428676	403004169	/nfs/dbraw/zinc/00/41/69/403004169.db2.gz	WZOOTOHEEKUWQB-DHZHZOJOSA-N	0	0	312.329	2.306	10	5		DEBERN
CC(=O)c1ccsc1NC(=O)Cn1cc([N+](=O)[O-])nc1C	ZINC000297941344	403290404	/nfs/dbraw/zinc/29/04/04/403290404.db2.gz	SYYZELQTHOSKDX-UHFFFAOYSA-N	0	0	308.319	2.003	10	5		DEBERN
CC(=O)c1ccc(Oc2ncc([N+](=O)[O-])cc2C(N)=O)cc1	ZINC000301076708	403586253	/nfs/dbraw/zinc/58/62/53/403586253.db2.gz	HGILQABWMNMMDL-UHFFFAOYSA-N	0	0	301.258	2.084	10	5		DEBERN
COC(=O)c1cc(NC[C@@H](O)C2CCCC2)ccc1[N+](=O)[O-]	ZINC000301256470	403607611	/nfs/dbraw/zinc/60/76/11/403607611.db2.gz	BNDFWXJTHWYVSH-CQSZACIVSA-N	0	0	308.334	2.344	10	5		DEBERN
C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCO[C@H]([C@@H](C)O)C1	ZINC000414592936	404689026	/nfs/dbraw/zinc/68/90/26/404689026.db2.gz	ZWOASPBHRYLGQD-JTCCWOMRSA-N	0	0	306.362	2.080	10	5		DEBERN
Cc1cc(CN(C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)no1	ZINC000361266482	404999891	/nfs/dbraw/zinc/99/98/91/404999891.db2.gz	NQCROKPIODQDSG-UHFFFAOYSA-N	0	0	301.306	2.400	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](C(C)(C)C)C1	ZINC000408266261	405157131	/nfs/dbraw/zinc/15/71/31/405157131.db2.gz	OWSGAVRLQUIZME-CYBMUJFWSA-N	0	0	307.350	2.185	10	5		DEBERN
CC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1O	ZINC000556892032	405556810	/nfs/dbraw/zinc/55/68/10/405556810.db2.gz	GMAUNESBMYDZJD-UHFFFAOYSA-N	0	0	301.258	2.150	10	5		DEBERN
CCOc1ccc(C(=O)NCc2nccn2CC)cc1[N+](=O)[O-]	ZINC000456099988	405499367	/nfs/dbraw/zinc/49/93/67/405499367.db2.gz	NGMLCLXCVNIFJA-UHFFFAOYSA-N	0	0	318.333	2.140	10	5		DEBERN
Cc1nn(C)c(C)c1Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O	ZINC000450221383	405785620	/nfs/dbraw/zinc/78/56/20/405785620.db2.gz	RKAFEUJDPSCANN-UHFFFAOYSA-N	0	0	324.362	2.092	10	5		DEBERN
CN1CCO[C@@H](CN(CC2CC2)c2ccc(F)cc2[N+](=O)[O-])C1	ZINC000571057672	406473417	/nfs/dbraw/zinc/47/34/17/406473417.db2.gz	CATGIYGRCDDHHE-CQSZACIVSA-N	0	0	323.368	2.281	10	5		DEBERN
NC(=O)c1cc([N+](=O)[O-])cc(OC(F)F)c1Br	ZINC000575685163	406818148	/nfs/dbraw/zinc/81/81/48/406818148.db2.gz	ZSKAXCWARWWLBP-UHFFFAOYSA-N	0	0	311.038	2.058	10	5		DEBERN
O=c1c(I)c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000575434408	406810381	/nfs/dbraw/zinc/81/03/81/406810381.db2.gz	VUOIUGCOSXCYLX-UHFFFAOYSA-N	0	0	316.054	2.041	10	5		DEBERN
COc1c(I)c([N+](=O)[O-])ccc1C=O	ZINC000575728586	406825832	/nfs/dbraw/zinc/82/58/32/406825832.db2.gz	VEPQHYWZWRPTHG-UHFFFAOYSA-N	0	0	307.043	2.021	10	5		DEBERN
CC[C@@H]1CN(c2ncc(C)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1	ZINC000408337082	287214134	/nfs/dbraw/zinc/21/41/34/287214134.db2.gz	SHDHANIPZUQICY-IUODEOHRSA-N	0	0	307.350	2.073	10	5		DEBERN
C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C	ZINC000131251209	196154091	/nfs/dbraw/zinc/15/40/91/196154091.db2.gz	ZVMMPMOPEQRAFH-DTORHVGOSA-N	0	0	302.327	2.010	10	5		DEBERN
CCNc1cc(S(=O)(=O)N(C)[C@@H](C)CC)ccc1[N+](=O)[O-]	ZINC000131877688	196206327	/nfs/dbraw/zinc/20/63/27/196206327.db2.gz	MLRUJXHCWZVJCG-JTQLQIEISA-N	0	0	315.395	2.446	10	5		DEBERN
Cc1c(F)cc(S(=O)(=O)N2CCC(C)CC2)cc1[N+](=O)[O-]	ZINC000132570676	196266280	/nfs/dbraw/zinc/26/62/80/196266280.db2.gz	CXIZMWAPQOXEOX-UHFFFAOYSA-N	0	0	316.354	2.463	10	5		DEBERN
CC[C@@H](CCO)Nc1cc(C(=O)OC)c(F)cc1[N+](=O)[O-]	ZINC000134435814	196391391	/nfs/dbraw/zinc/39/13/91/196391391.db2.gz	RFHWVJKUWLGZFD-QMMMGPOBSA-N	0	0	300.286	2.093	10	5		DEBERN
O=[N+]([O-])c1ccc(Br)cc1NCCn1ccnn1	ZINC000136311337	196531644	/nfs/dbraw/zinc/53/16/44/196531644.db2.gz	JEEMQFGLOVHABQ-UHFFFAOYSA-N	0	0	312.127	2.061	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCc3ccc(F)cc32)n1	ZINC000191581520	225112954	/nfs/dbraw/zinc/11/29/54/225112954.db2.gz	BKMKJTKIKZADFL-UHFFFAOYSA-N	0	0	304.281	2.153	10	5		DEBERN
O=[N+]([O-])c1cnc(N(CCO)Cc2cccc(Cl)c2)nc1	ZINC000302685414	230350662	/nfs/dbraw/zinc/35/06/62/230350662.db2.gz	AXCZNBKEZHAPFJ-UHFFFAOYSA-N	0	0	308.725	2.037	10	5		DEBERN
CCOc1cccc(N2CC[C@](O)(C(F)(F)F)C2)c1[N+](=O)[O-]	ZINC000184121879	267635023	/nfs/dbraw/zinc/63/50/23/267635023.db2.gz	DBIKIZMIOOGFDZ-GFCCVEGCSA-N	0	0	320.267	2.497	10	5		DEBERN
O=[N+]([O-])c1nn(C[C@@H]2CCCC[C@@H]2O)cc1Br	ZINC000393258006	269099274	/nfs/dbraw/zinc/09/92/74/269099274.db2.gz	HJYLTVZZIUYWIF-CBAPKCEASA-N	0	0	304.144	2.105	10	5		DEBERN
CC(C)(O)/C=C1/Oc2ccc([N+](=O)[O-])cc2[C@@H]1N1CCOCC1	ZINC000033143554	277310382	/nfs/dbraw/zinc/31/03/82/277310382.db2.gz	AOKGEQVWVWNEPJ-IPJDOKCGSA-N	0	0	320.345	2.015	10	5		DEBERN
CC[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)[C@@H](CC)CN1C(C)=O	ZINC000450365063	280444594	/nfs/dbraw/zinc/44/45/94/280444594.db2.gz	MWERSPJVZNZUCL-OLZOCXBDSA-N	0	0	306.366	2.216	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(N2C[C@H](C)[C@H](N3CCOCC3)C2)c1	ZINC000268039968	281014769	/nfs/dbraw/zinc/01/47/69/281014769.db2.gz	NZXCHTOKPQICJL-XJKSGUPXSA-N	0	0	305.378	2.060	10	5		DEBERN
Cc1ccnc(N2CCN(CC3CCCC3)C(=O)C2)c1[N+](=O)[O-]	ZINC000158347162	292773346	/nfs/dbraw/zinc/77/33/46/292773346.db2.gz	VZUIPVAUBNMOJJ-UHFFFAOYSA-N	0	0	318.377	2.137	10	5		DEBERN
Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)n1	ZINC000276142488	294309534	/nfs/dbraw/zinc/30/95/34/294309534.db2.gz	BRKQHTRZBOYRRC-MRVPVSSYSA-N	0	0	320.271	2.131	10	5		DEBERN
Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@]2(CC=CCC2)C1	ZINC000120380618	294544354	/nfs/dbraw/zinc/54/43/54/294544354.db2.gz	SEMSERDSRJZIQD-HNNXBMFYSA-N	0	0	304.350	2.291	10	5		DEBERN
C[C@H]1CO[C@H](c2ccccc2)CN1c1c([N+](=O)[O-])ncn1C	ZINC000267312529	300368978	/nfs/dbraw/zinc/36/89/78/300368978.db2.gz	XJKSBTGAAQFAHV-AAEUAGOBSA-N	0	0	302.334	2.295	10	5		DEBERN
Cc1cnc(N2CCC[C@@H](NC(=O)C(C)C)C2)c([N+](=O)[O-])c1	ZINC000301421185	302349353	/nfs/dbraw/zinc/34/93/53/302349353.db2.gz	FBUHHMPUJAQGTM-GFCCVEGCSA-N	0	0	306.366	2.039	10	5		DEBERN
CCOC(=O)[C@@](O)(c1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000584595607	337374075	/nfs/dbraw/zinc/37/40/75/337374075.db2.gz	QTHQRKZCQRJKFG-MRXNPFEDSA-N	0	0	301.298	2.394	10	5		DEBERN
Cc1cc(N2C[C@@H](C)[C@H](N3CCOCC3)C2)c(F)cc1[N+](=O)[O-]	ZINC000292589980	533917212	/nfs/dbraw/zinc/91/72/12/533917212.db2.gz	LOXXDTHMMGYLTH-MLGOLLRUSA-N	0	0	323.368	2.199	10	5		DEBERN
COC(=O)c1ccc([N+](=O)[O-])c(NCCc2ccccn2)c1	ZINC000302112786	534245672	/nfs/dbraw/zinc/24/56/72/534245672.db2.gz	UYWOKUZCPPZNHU-UHFFFAOYSA-N	0	0	301.302	2.431	10	5		DEBERN
COC[C@@H](C)C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-]	ZINC000156949873	522173698	/nfs/dbraw/zinc/17/36/98/522173698.db2.gz	UZLCRLZXLYDVGG-GFCCVEGCSA-N	0	0	309.366	2.104	10	5		DEBERN
O=[N+]([O-])c1ccc(CO)cc1NC[C@@H]1CSCCS1	ZINC000302067104	534881852	/nfs/dbraw/zinc/88/18/52/534881852.db2.gz	UOBZFSYGADIVRK-SNVBAGLBSA-N	0	0	300.405	2.348	10	5		DEBERN
O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCC(n2ccc([N+](=O)[O-])n2)CC1	ZINC000365956481	526570162	/nfs/dbraw/zinc/57/01/62/526570162.db2.gz	SBVKHANSFJWNJC-NHAGDIPZSA-N	0	0	318.377	2.391	10	5		DEBERN
CCC(=O)N1CC[C@@H](Nc2cc(OC)cc(F)c2[N+](=O)[O-])C1	ZINC000301649950	528356457	/nfs/dbraw/zinc/35/64/57/528356457.db2.gz	GAJXYNUBXNRZGA-SECBINFHSA-N	0	0	311.313	2.165	10	5		DEBERN
CCS[C@@H]1CC[C@@]1(O)CNc1cc(CO)ccc1[N+](=O)[O-]	ZINC000302057015	529220144	/nfs/dbraw/zinc/22/01/44/529220144.db2.gz	QSPHZOSMMRYONM-ZIAGYGMSSA-N	0	0	312.391	2.146	10	5		DEBERN
CC[C@@H](NC(=O)NC[C@@H](CO)C1CC1)c1cccc([N+](=O)[O-])c1	ZINC000358902157	535794298	/nfs/dbraw/zinc/79/42/98/535794298.db2.gz	NEYHJXFYFDCRQY-DZGCQCFKSA-N	0	0	321.377	2.364	10	5		DEBERN
Cn1nccc1CCC(=O)Nc1cc([N+](=O)[O-])c(F)cc1F	ZINC000120513919	622887381	/nfs/dbraw/zinc/88/73/81/622887381.db2.gz	GHBATTXLYWTWCN-UHFFFAOYSA-N	0	0	310.260	2.178	10	5		DEBERN
CC(=CC(=O)N[C@H](C)c1nnc(C)[nH]1)c1ccc([N+](=O)[O-])cc1	ZINC000804811773	623253269	/nfs/dbraw/zinc/25/32/69/623253269.db2.gz	CJDGZTHRLPAASN-HSTULFTRSA-N	0	0	315.333	2.302	10	5		DEBERN
Nc1ccc(C(=O)NCCc2cc(F)ccc2F)cc1[N+](=O)[O-]	ZINC000177119859	625833534	/nfs/dbraw/zinc/83/35/34/625833534.db2.gz	PQRQOWAFDVGINS-UHFFFAOYSA-N	0	0	321.283	2.428	10	5		DEBERN
C[C@@H](CO)N(C)Cc1cccc([N+](=O)[O-])c1Br	ZINC000235137362	635969838	/nfs/dbraw/zinc/96/98/38/635969838.db2.gz	XOYMLBPAZLQBPT-QMMMGPOBSA-N	0	0	303.156	2.170	10	5		DEBERN
CC(=O)N1CCC[C@H]1C(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1	ZINC000744360857	638215353	/nfs/dbraw/zinc/21/53/53/638215353.db2.gz	IXTXHWSILHJKTE-HZMBPMFUSA-N	0	0	306.318	2.210	10	5		DEBERN
COC(=O)/C(C)=C/COC(=O)CCNc1ccccc1[N+](=O)[O-]	ZINC000748159945	638517662	/nfs/dbraw/zinc/51/76/62/638517662.db2.gz	IOXOHOUXFWUFFS-DHZHZOJOSA-N	0	0	322.317	2.059	10	5		DEBERN
C/C(=C/C(=O)O[C@@H](C)C(=O)NC(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000752355703	639174811	/nfs/dbraw/zinc/17/48/11/639174811.db2.gz	QZUUOUUQIJEZIL-MMRAYRKESA-N	0	0	320.345	2.454	10	5		DEBERN
CCOC(=O)[C@H](CC1CC1)NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000752382927	639177296	/nfs/dbraw/zinc/17/72/96/639177296.db2.gz	HFBLVMBVKSQQHE-ZDUSSCGKSA-N	0	0	306.318	2.056	10	5		DEBERN
CO[C@H]1CCC[C@H](OC(=O)COc2cccc([N+](=O)[O-])c2)C1	ZINC000075537154	640480087	/nfs/dbraw/zinc/48/00/87/640480087.db2.gz	XIMJHGZGSLFLEX-JSGCOSHPSA-N	0	0	309.318	2.474	10	5		DEBERN
Cc1c(NC(=O)N2CCO[C@H](C(F)F)C2)cccc1[N+](=O)[O-]	ZINC000801608198	645424362	/nfs/dbraw/zinc/42/43/62/645424362.db2.gz	PYLNDJVNWCJUOY-NSHDSACASA-N	0	0	315.276	2.401	10	5		DEBERN
C[C@H]1CC[C@@H](O)CN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1	ZINC000911188189	645644354	/nfs/dbraw/zinc/64/43/54/645644354.db2.gz	PKYIDDQKKLMNFZ-IONNQARKSA-N	0	0	316.716	2.373	10	5		DEBERN
O=C(NCC[C@H]1CCCO1)c1cc(F)c([N+](=O)[O-])cc1F	ZINC000228624717	646635429	/nfs/dbraw/zinc/63/54/29/646635429.db2.gz	XFZYOXBEHQUYNE-MRVPVSSYSA-N	0	0	300.261	2.172	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc([C@H](C)O)cc1	ZINC000171134673	646687244	/nfs/dbraw/zinc/68/72/44/646687244.db2.gz	CVECMMKQXNDIRZ-NSHDSACASA-N	0	0	315.329	2.282	10	5		DEBERN
C[C@H](CCNC(=O)c1cccc([N+](=O)[O-])c1Cl)[S@](C)=O	ZINC000229794661	646700915	/nfs/dbraw/zinc/70/09/15/646700915.db2.gz	DZHWBXXXKZTUGQ-SQFXPLBJSA-N	0	0	318.782	2.135	10	5		DEBERN
CC(C)[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(F)c1)C(=O)N(C)C	ZINC000731517478	647488702	/nfs/dbraw/zinc/48/87/02/647488702.db2.gz	DCHKCBDSIPQHGW-GFCCVEGCSA-N	0	0	312.297	2.004	10	5		DEBERN
Cc1nnc(COC(=O)c2csc([N+](=O)[O-])c2)n1C1CC1	ZINC000179570957	648396291	/nfs/dbraw/zinc/39/62/91/648396291.db2.gz	DMFUKRUNPIZPIZ-UHFFFAOYSA-N	0	0	308.319	2.248	10	5		DEBERN
CCCn1cnnc1COC(=O)CCc1cccc([N+](=O)[O-])c1	ZINC000123882181	684129137	/nfs/dbraw/zinc/12/91/37/684129137.db2.gz	YXIJTJHPWQFATK-UHFFFAOYSA-N	0	0	318.333	2.272	10	5		DEBERN
O=C(OCc1cccc([N+](=O)[O-])c1)c1cnn2c1CCCC2	ZINC000125681564	684147997	/nfs/dbraw/zinc/14/79/97/684147997.db2.gz	RMPKYTBYKKEEKR-UHFFFAOYSA-N	0	0	301.302	2.485	10	5		DEBERN
Cc1ccn2ncc(C(=O)Oc3ccc(C)c([N+](=O)[O-])c3)c2n1	ZINC000131757501	684202242	/nfs/dbraw/zinc/20/22/42/684202242.db2.gz	XLIGUBVKHSJAEO-UHFFFAOYSA-N	0	0	312.285	2.474	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)OCCCc1ccncc1	ZINC000192837129	684458317	/nfs/dbraw/zinc/45/83/17/684458317.db2.gz	CJUCOCZAWUYIKY-UHFFFAOYSA-N	0	0	301.302	2.483	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC1(CO)CCCC1	ZINC000588447169	777203179	/nfs/dbraw/zinc/20/31/79/777203179.db2.gz	IGJYUCNCOWBJLZ-BENRWUELSA-N	0	0	304.346	2.419	10	5		DEBERN
COC(=O)C[C@H](C)OC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1	ZINC000588509817	781647453	/nfs/dbraw/zinc/64/74/53/781647453.db2.gz	CQVNHEMWBJHMNW-IEHMKBBKSA-N	0	0	307.302	2.493	10	5		DEBERN
O=[N+]([O-])c1cc(F)ccc1NCC[C@@H]1CCCS1(=O)=O	ZINC000714331850	792309614	/nfs/dbraw/zinc/30/96/14/792309614.db2.gz	VEAJCUSJVKJXBK-JTQLQIEISA-N	0	0	302.327	2.113	10	5		DEBERN
Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1cccc2ncnn21	ZINC000800146948	799322848	/nfs/dbraw/zinc/32/28/48/799322848.db2.gz	LLJUXSUOODYFPT-UHFFFAOYSA-N	0	0	315.264	2.337	10	5		DEBERN
COC(=O)[C@@H]1CCCCN1CCCOc1ccc([N+](=O)[O-])cc1	ZINC000079193729	185161196	/nfs/dbraw/zinc/16/11/96/185161196.db2.gz	VFOVQPQTZPZNGG-HNNXBMFYSA-N	0	0	322.361	2.391	10	5		DEBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)c1ccc(C)c(F)c1	ZINC000088233810	185243125	/nfs/dbraw/zinc/24/31/25/185243125.db2.gz	VGTORAZOJKPQNM-JTQLQIEISA-N	0	0	320.324	2.425	10	5		DEBERN
CCCN(CC(=O)N(C)C)c1sc([C@@H](C)O)cc1[N+](=O)[O-]	ZINC000167487313	197709587	/nfs/dbraw/zinc/70/95/87/197709587.db2.gz	NVWKFOWQRJGQDU-SECBINFHSA-N	0	0	315.395	2.014	10	5		DEBERN
CCc1nc(C(C)(C)NC(=O)c2ccccc2[N+](=O)[O-])no1	ZINC000441722336	529713463	/nfs/dbraw/zinc/71/34/63/529713463.db2.gz	YDIFDLLMLUXUGY-UHFFFAOYSA-N	0	0	304.306	2.205	10	5		DEBERN
CN(Cc1ccoc1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000443700452	530013102	/nfs/dbraw/zinc/01/31/02/530013102.db2.gz	VAYLDVUWSMTRHH-UHFFFAOYSA-N	0	0	310.331	2.150	10	5		DEBERN
CC[C@@H]1CCCN1S(=O)(=O)c1cccc(NC)c1[N+](=O)[O-]	ZINC000126855971	185898355	/nfs/dbraw/zinc/89/83/55/185898355.db2.gz	CDKIZVZYLNBGSG-SNVBAGLBSA-N	0	0	313.379	2.200	10	5		DEBERN
CS(=O)(=O)[C@H]1CCC[C@@H](Oc2cc(F)ccc2[N+](=O)[O-])C1	ZINC000133575578	185996218	/nfs/dbraw/zinc/99/62/18/185996218.db2.gz	XEYBQFJUJGMJNS-MNOVXSKESA-N	0	0	317.338	2.469	10	5		DEBERN
Nc1cccc(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)c1	ZINC000150202538	186055424	/nfs/dbraw/zinc/05/54/24/186055424.db2.gz	LFEILMLIMDDKQK-UHFFFAOYSA-N	0	0	306.343	2.193	10	5		DEBERN
Nc1cccc(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1	ZINC000150192191	186055669	/nfs/dbraw/zinc/05/56/69/186055669.db2.gz	WZWFUBVWRMACQA-UHFFFAOYSA-N	0	0	306.343	2.193	10	5		DEBERN
O=C(N[C@H]1CCCOC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000171702850	197969972	/nfs/dbraw/zinc/96/99/72/197969972.db2.gz	CJMBOKCSRUWPLI-ZDUSSCGKSA-N	0	0	319.361	2.104	10	5		DEBERN
CCCc1n[nH]c(C(=O)NCc2ccc(Cl)cn2)c1[N+](=O)[O-]	ZINC000182142124	199391982	/nfs/dbraw/zinc/39/19/82/199391982.db2.gz	LQKXURACDREYGK-UHFFFAOYSA-N	0	0	323.740	2.249	10	5		DEBERN
CC(=O)c1ccc(NCC(=O)NCc2ccco2)c([N+](=O)[O-])c1	ZINC000029853335	354116365	/nfs/dbraw/zinc/11/63/65/354116365.db2.gz	DGXIXOSQXDMWFP-UHFFFAOYSA-N	0	0	317.301	2.119	10	5		DEBERN
Cc1nn(C[C@H](O)COc2ccc(C)cc2)c(C)c1[N+](=O)[O-]	ZINC000042755205	354205357	/nfs/dbraw/zinc/20/53/57/354205357.db2.gz	QXWNKLCYAKBLOS-ZDUSSCGKSA-N	0	0	305.334	2.156	10	5		DEBERN
O=[N+]([O-])c1cnc(Nc2cnn(-c3ncccn3)c2)c(Cl)c1	ZINC000078019843	355240779	/nfs/dbraw/zinc/24/07/79/355240779.db2.gz	OOHQEJDDVUPAPA-UHFFFAOYSA-N	0	0	317.696	2.363	10	5		DEBERN
Cc1cnc(N[C@H]2CCCN(c3cnn(C)c3)C2)c([N+](=O)[O-])c1	ZINC000078668646	355273367	/nfs/dbraw/zinc/27/33/67/355273367.db2.gz	QMBNTDCJJBSUAJ-LBPRGKRZSA-N	0	0	316.365	2.113	10	5		DEBERN
Cc1cnc(N2CCC[C@@H](C(=O)N3CCCC3)C2)c([N+](=O)[O-])c1	ZINC000078662536	355273425	/nfs/dbraw/zinc/27/34/25/355273425.db2.gz	CJTVCRUCEWXDIH-CYBMUJFWSA-N	0	0	318.377	2.137	10	5		DEBERN
CCCCN(C)C(=O)Cn1c(=O)ccc2cc([N+](=O)[O-])ccc21	ZINC000075313157	191462629	/nfs/dbraw/zinc/46/26/29/191462629.db2.gz	UWYAHRMBVYHRRO-UHFFFAOYSA-N	0	0	317.345	2.168	10	5		DEBERN
Cc1nc2c(ccn2S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-]	ZINC000095919981	355697451	/nfs/dbraw/zinc/69/74/51/355697451.db2.gz	FQMHSTYUOXOKDU-UHFFFAOYSA-N	0	0	317.326	2.490	10	5		DEBERN
CCc1cc(NC(=O)CCNc2ccccc2[N+](=O)[O-])n[nH]1	ZINC000120687954	355791824	/nfs/dbraw/zinc/79/18/24/355791824.db2.gz	GPNFCFJJABNCQM-UHFFFAOYSA-N	0	0	303.322	2.321	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1cnn(C)c1	ZINC000185045216	199801148	/nfs/dbraw/zinc/80/11/48/199801148.db2.gz	YMILEXASXLCLSK-XYOKQWHBSA-N	0	0	314.345	2.390	10	5		DEBERN
CC(=O)N1CC[C@@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1	ZINC000596233222	358647651	/nfs/dbraw/zinc/64/76/51/358647651.db2.gz	AUVDKJBXCDWWES-LBPRGKRZSA-N	0	0	318.377	2.149	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ncnn1C	ZINC000276425707	212869490	/nfs/dbraw/zinc/86/94/90/212869490.db2.gz	GRLAQBZFKJFVOZ-UQSGXBNBSA-N	0	0	315.333	2.004	10	5		DEBERN
Cn1cc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)nn1	ZINC000618988327	363659189	/nfs/dbraw/zinc/65/91/89/363659189.db2.gz	ODZSDKGFCXPVGU-AWEZNQCLSA-N	0	0	301.350	2.236	10	5		DEBERN
O=C(NC[C@@H]1CCC[C@@H]1CO)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000089499015	192802684	/nfs/dbraw/zinc/80/26/84/192802684.db2.gz	YRBHMSXORTZYTK-WDEREUQCSA-N	0	0	312.753	2.387	10	5		DEBERN
CO[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[C@H]1C	ZINC000187699529	200147184	/nfs/dbraw/zinc/14/71/84/200147184.db2.gz	YZBIQIOFCPAEEL-DOMZBBRYSA-N	0	0	306.362	2.411	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C)[C@H](OC)C1	ZINC000189832516	200458351	/nfs/dbraw/zinc/45/83/51/200458351.db2.gz	DFBPQYKPKGSVQO-IINYFYTJSA-N	0	0	323.349	2.492	10	5		DEBERN
O=[N+]([O-])c1cnc(N2CC[C@@H](CNc3ccccn3)C2)s1	ZINC000190323341	200518619	/nfs/dbraw/zinc/51/86/19/200518619.db2.gz	SPDDHJNWSYZMGV-JTQLQIEISA-N	0	0	305.363	2.385	10	5		DEBERN
C[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccncc1	ZINC000610518465	361415146	/nfs/dbraw/zinc/41/51/46/361415146.db2.gz	QSTDVXCOTNWNLZ-NSHDSACASA-N	0	0	321.358	2.072	10	5		DEBERN
CN[C@]1(C(=O)OC)CC[C@H](Sc2ccccc2[N+](=O)[O-])C1	ZINC000093848729	193317228	/nfs/dbraw/zinc/31/72/28/193317228.db2.gz	FTEQMBIVZCFAIE-IINYFYTJSA-N	0	0	310.375	2.371	10	5		DEBERN
C[NH2+][C@]1(C(=O)[O-])CC[C@H](Oc2cc([N+](=O)[O-])ccc2Cl)C1	ZINC000093847789	193317933	/nfs/dbraw/zinc/31/79/33/193317933.db2.gz	AKQOFIUXNFEGSD-TVQRCGJNSA-N	0	0	314.725	2.222	10	5		DEBERN
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CC1CCC1	ZINC000094780185	193397482	/nfs/dbraw/zinc/39/74/82/193397482.db2.gz	HATOMUKVOWTFQP-UHFFFAOYSA-N	0	0	316.354	2.463	10	5		DEBERN
Cc1cc(N)c([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1C	ZINC000094780412	193397639	/nfs/dbraw/zinc/39/76/39/193397639.db2.gz	UGEMBMDBHHKFDL-JTQLQIEISA-N	0	0	313.379	2.049	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C2CCC2)CC1	ZINC000264949839	204296831	/nfs/dbraw/zinc/29/68/31/204296831.db2.gz	JUVKVXMAIUWONF-UHFFFAOYSA-N	0	0	303.362	2.214	10	5		DEBERN
O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@]2(CCOC2)C1	ZINC000408275981	284281870	/nfs/dbraw/zinc/28/18/70/284281870.db2.gz	FNFHAHVCNSQNIJ-AWEZNQCLSA-N	0	0	309.297	2.378	10	5		DEBERN
O=[N+]([O-])c1cc(Cl)c(F)cc1NC[C@@H]1CCS(=O)(=O)C1	ZINC000097355922	193710460	/nfs/dbraw/zinc/71/04/60/193710460.db2.gz	JYMLWQSHBNKAGB-ZETCQYMHSA-N	0	0	322.745	2.234	10	5		DEBERN
CCOC(=O)c1cnc(OC)nc1-c1ccccc1[N+](=O)[O-]	ZINC000015809851	182018603	/nfs/dbraw/zinc/01/86/03/182018603.db2.gz	SKPZLULLEFEZLW-UHFFFAOYSA-N	0	0	303.274	2.237	10	5		DEBERN
O=C(Nc1cccc2c1OCCC2)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000373080505	284358457	/nfs/dbraw/zinc/35/84/57/284358457.db2.gz	NYMJRSQOJVRWSB-UHFFFAOYSA-N	0	0	315.285	2.273	10	5		DEBERN
CC[C@H]1CCCC[C@@H]1N(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000160904828	197448929	/nfs/dbraw/zinc/44/89/29/197448929.db2.gz	KHNBYYSBMHHKSU-JSGCOSHPSA-N	0	0	321.377	2.184	10	5		DEBERN
CCN(CCO)c1ncnc(Nc2ccc(F)cc2)c1[N+](=O)[O-]	ZINC000040614108	183108808	/nfs/dbraw/zinc/10/88/08/183108808.db2.gz	JRSZVHXNFNBYER-UHFFFAOYSA-N	0	0	321.312	2.086	10	5		DEBERN
O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1cn[nH]c1	ZINC000040834138	183140169	/nfs/dbraw/zinc/14/01/69/183140169.db2.gz	MWPVRNQFAHUCCS-UHFFFAOYSA-N	0	0	311.095	2.333	10	5		DEBERN
COc1cc(NC(=O)c2cccnc2)c([N+](=O)[O-])cc1OC	ZINC000041538274	183200712	/nfs/dbraw/zinc/20/07/12/183200712.db2.gz	HMTAWBKNRQKJEN-UHFFFAOYSA-N	0	0	303.274	2.259	10	5		DEBERN
CC[C@H](C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)C(=O)OC	ZINC000104336347	194000517	/nfs/dbraw/zinc/00/05/17/194000517.db2.gz	GOCFJJVGRAFUMB-ZANVPECISA-N	0	0	308.334	2.221	10	5		DEBERN
Cc1cnn(C[C@H]2CN(Cc3csc([N+](=O)[O-])c3)CCO2)c1	ZINC000105892654	194160151	/nfs/dbraw/zinc/16/01/51/194160151.db2.gz	PRPBNOVONWKYAH-CYBMUJFWSA-N	0	0	322.390	2.062	10	5		DEBERN
CCC[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC	ZINC000050632740	183791646	/nfs/dbraw/zinc/79/16/46/183791646.db2.gz	CYRALTKYOMZKQW-VIFPVBQESA-N	0	0	301.368	2.103	10	5		DEBERN
CCCCN(C)S(=O)(=O)c1cc(NC)ccc1[N+](=O)[O-]	ZINC000050632129	183791890	/nfs/dbraw/zinc/79/18/90/183791890.db2.gz	YUNKFDCLUHQQOU-UHFFFAOYSA-N	0	0	301.368	2.057	10	5		DEBERN
CCNc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC(C)C	ZINC000050633836	183792465	/nfs/dbraw/zinc/79/24/65/183792465.db2.gz	QIVJTDLFPJNODU-UHFFFAOYSA-N	0	0	315.395	2.351	10	5		DEBERN
CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](C)C(C)C	ZINC000050657605	183795520	/nfs/dbraw/zinc/79/55/20/183795520.db2.gz	AXMHNXDPRQOKKX-SNVBAGLBSA-N	0	0	315.395	2.302	10	5		DEBERN
CCCC[C@H](C)NS(=O)(=O)c1ccc(NC)c([N+](=O)[O-])c1	ZINC000050891307	183807048	/nfs/dbraw/zinc/80/70/48/183807048.db2.gz	PRKOFQUPNVOZPU-JTQLQIEISA-N	0	0	315.395	2.494	10	5		DEBERN
CNc1c(Cl)cc(C(=O)N[C@@H]2CCCOC2)cc1[N+](=O)[O-]	ZINC000109553292	194274004	/nfs/dbraw/zinc/27/40/04/194274004.db2.gz	XJJIPIRITAGOEH-SECBINFHSA-N	0	0	313.741	2.199	10	5		DEBERN
COC(=O)CN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)C	ZINC000111010634	194381767	/nfs/dbraw/zinc/38/17/67/194381767.db2.gz	PLKOBHSLLNJGIC-UHFFFAOYSA-N	0	0	314.725	2.272	10	5		DEBERN
COC(=O)[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)C	ZINC000111010525	194382112	/nfs/dbraw/zinc/38/21/12/194382112.db2.gz	WAINWPAJJLWAIE-LLVKDONJSA-N	0	0	314.725	2.176	10	5		DEBERN
CCNc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)CC	ZINC000054492173	183941821	/nfs/dbraw/zinc/94/18/21/183941821.db2.gz	KPSRNSSWWASMGE-JTQLQIEISA-N	0	0	315.395	2.351	10	5		DEBERN
CNc1c(Cl)cc(C(=O)NC[C@@H]2CCOC2)cc1[N+](=O)[O-]	ZINC000061148734	184163182	/nfs/dbraw/zinc/16/31/82/184163182.db2.gz	YZTOZQBVFVFUJG-QMMMGPOBSA-N	0	0	313.741	2.056	10	5		DEBERN
CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC1CCC1	ZINC000061487186	184171544	/nfs/dbraw/zinc/17/15/44/184171544.db2.gz	OHWRWUQVZQZYSP-UHFFFAOYSA-N	0	0	313.379	2.057	10	5		DEBERN
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)C(C)(C)C	ZINC000112363386	194465522	/nfs/dbraw/zinc/46/55/22/194465522.db2.gz	GNLPKDJYAJCMHL-SECBINFHSA-N	0	0	316.379	2.316	10	5		DEBERN
CNc1c(Cl)cc(C(=O)N2CCCOCC2)cc1[N+](=O)[O-]	ZINC000061939799	184196683	/nfs/dbraw/zinc/19/66/83/184196683.db2.gz	GOPZCURSRFMOHD-UHFFFAOYSA-N	0	0	313.741	2.152	10	5		DEBERN
CCOC(=O)[C@H](CCOc1ccc([N+](=O)[O-])cc1Cl)NC	ZINC000062539695	184241488	/nfs/dbraw/zinc/24/14/88/184241488.db2.gz	MEZCRNAQVBDKCA-NSHDSACASA-N	0	0	316.741	2.168	10	5		DEBERN
C[C@@H](C[C@](C)([NH3+])C(=O)[O-])Oc1ccc([N+](=O)[O-])cc1Cl	ZINC000068651023	184496352	/nfs/dbraw/zinc/49/63/52/184496352.db2.gz	NOUDJLLXQCYWCM-MADCSZMMSA-N	0	0	302.714	2.208	10	5		DEBERN
Cc1cnn(CCNC(=O)Nc2cccc([N+](=O)[O-])c2C)c1	ZINC000118008500	194862415	/nfs/dbraw/zinc/86/24/15/194862415.db2.gz	FBACTKKDWLMMHH-UHFFFAOYSA-N	0	0	303.322	2.230	10	5		DEBERN
C[C@@H]1OCC[C@@H]1N(C)C(=O)c1cc(F)c(F)cc1[N+](=O)[O-]	ZINC000159064333	197323751	/nfs/dbraw/zinc/32/37/51/197323751.db2.gz	VHMYEARTGYVUOZ-CPCISQLKSA-N	0	0	300.261	2.122	10	5		DEBERN
O=[N+]([O-])c1cc(F)c(Br)cc1N1CCC[C@@H]1CO	ZINC000158790938	197302154	/nfs/dbraw/zinc/30/21/54/197302154.db2.gz	OZBMDAYXWQVFCN-SSDOTTSWSA-N	0	0	319.130	2.458	10	5		DEBERN
O=[N+]([O-])c1ccc(N2CCN(c3nc4ccccc4[nH]3)CC2)nc1	ZINC000301875271	285125560	/nfs/dbraw/zinc/12/55/60/285125560.db2.gz	JZMHZQGJXMJKBH-UHFFFAOYSA-N	0	0	324.344	2.193	10	5		DEBERN
CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)C[C@@H]1C	ZINC000157395487	197184388	/nfs/dbraw/zinc/18/43/88/197184388.db2.gz	VLNSBFSIUJCILR-UWVGGRQHSA-N	0	0	313.379	2.056	10	5		DEBERN
CN(Cc1ccsc1)C(=O)c1cccc(NN)c1[N+](=O)[O-]	ZINC000157134476	197164492	/nfs/dbraw/zinc/16/44/92/197164492.db2.gz	XTQLIBDEUSVPAF-UHFFFAOYSA-N	0	0	306.347	2.214	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](O)(C(F)(F)F)C1	ZINC000157035342	197157515	/nfs/dbraw/zinc/15/75/15/197157515.db2.gz	DKWLHYLHJGWKSC-GFCCVEGCSA-N	0	0	318.251	2.043	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])o1)N1CCO[C@@H](c2ccsc2)C1	ZINC000120894636	195259555	/nfs/dbraw/zinc/25/95/55/195259555.db2.gz	KBLKBFSQHJOJLY-LLVKDONJSA-N	0	0	308.315	2.463	10	5		DEBERN
Cc1csc([C@@H]2CCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)n1	ZINC000121980303	195385963	/nfs/dbraw/zinc/38/59/63/195385963.db2.gz	DXEZKKHLKARYOL-SECBINFHSA-N	0	0	321.362	2.103	10	5		DEBERN
CC(C)[C@@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1	ZINC000125648018	195772702	/nfs/dbraw/zinc/77/27/02/195772702.db2.gz	NNGJPCYYMVQIHT-QMMMGPOBSA-N	0	0	319.408	2.048	10	5		DEBERN
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCCCCO1	ZINC000408286010	291993206	/nfs/dbraw/zinc/99/32/06/291993206.db2.gz	IRWICHZXKQPTND-UHFFFAOYSA-N	0	0	314.363	2.318	10	5		DEBERN
O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1COc2ccccc21	ZINC000194853968	132541789	/nfs/dbraw/zinc/54/17/89/132541789.db2.gz	TVQWFMWZLDUZNG-LBPRGKRZSA-N	0	0	314.297	2.224	10	5		DEBERN
O=[N+]([O-])c1cccc(CS(=O)(=O)NC23CCC(CC2)C3)c1	ZINC000368246607	133266240	/nfs/dbraw/zinc/26/62/40/133266240.db2.gz	UHNCVFIRJKIEBT-UHFFFAOYSA-N	0	0	310.375	2.347	10	5		DEBERN
C[C@@H](C(=O)N1CCSC[C@@H]1CCO)c1cccc([N+](=O)[O-])c1	ZINC000564723444	292107249	/nfs/dbraw/zinc/10/72/49/292107249.db2.gz	UJOZHRYVRVBYFJ-RISCZKNCSA-N	0	0	324.402	2.025	10	5		DEBERN
CCO[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])s2)C12CCOCC2	ZINC000192534552	145074836	/nfs/dbraw/zinc/07/48/36/145074836.db2.gz	BQVMMVJUVJTQNJ-ZJUUUORDSA-N	0	0	313.379	2.437	10	5		DEBERN
CCOc1ccc(C(=O)N2CC([C@H]3CCOC3)C2)cc1[N+](=O)[O-]	ZINC000366866119	147682375	/nfs/dbraw/zinc/68/23/75/147682375.db2.gz	LRYIOZFRFUXADB-LBPRGKRZSA-N	0	0	320.345	2.102	10	5		DEBERN
Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@H](C2)C3(C)C)c([N+](=O)[O-])c1	ZINC000408237685	148579503	/nfs/dbraw/zinc/57/95/03/148579503.db2.gz	RKKRMVLERVEGHE-PHIMTYICSA-N	0	0	310.375	2.180	10	5		DEBERN
CSc1ccc([N+](=O)[O-])c(C(=O)N2[C@H](C)CN(C)C[C@@H]2C)c1	ZINC000127164154	401722878	/nfs/dbraw/zinc/72/28/78/401722878.db2.gz	XMHGKJJALGBEJK-PHIMTYICSA-N	0	0	323.418	2.481	10	5		DEBERN
COc1ccc(S(=O)(=O)N[C@H](C)C(C)(C)C)cc1[N+](=O)[O-]	ZINC000112363623	401741574	/nfs/dbraw/zinc/74/15/74/401741574.db2.gz	WNOKPVPLJHJLGO-SECBINFHSA-N	0	0	316.379	2.316	10	5		DEBERN
Cc1nn(C)c(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)c1[N+](=O)[O-]	ZINC000127672349	401745012	/nfs/dbraw/zinc/74/50/12/401745012.db2.gz	AYWMPZWSHWSWQO-ZETCQYMHSA-N	0	0	324.287	2.406	10	5		DEBERN
O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1C[C@@H]1c1ccccc1	ZINC000110440284	401690116	/nfs/dbraw/zinc/69/01/16/401690116.db2.gz	ZESQROUOHUISND-DZGCQCFKSA-N	0	0	314.345	2.101	10	5		DEBERN
COC(=O)[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1	ZINC000072050198	401701861	/nfs/dbraw/zinc/70/18/61/401701861.db2.gz	FYENTIFSUYKVGD-AWEZNQCLSA-N	0	0	314.297	2.239	10	5		DEBERN
O=C(Nc1ccc2c(c1)OCC(=O)N2)c1ccc([N+](=O)[O-])cc1	ZINC000012083367	401778770	/nfs/dbraw/zinc/77/87/70/401778770.db2.gz	FVKOFHSTMKMFMF-UHFFFAOYSA-N	0	0	313.269	2.178	10	5		DEBERN
C[C@@H](O)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F	ZINC000114810577	401810602	/nfs/dbraw/zinc/81/06/02/401810602.db2.gz	BBROBQYDZWBQEE-SSDOTTSWSA-N	0	0	319.264	2.089	10	5		DEBERN
CCC(C)(C)NC(=O)COc1ccc(C(C)=O)cc1[N+](=O)[O-]	ZINC000119203471	401933261	/nfs/dbraw/zinc/93/32/61/401933261.db2.gz	FMNYZOGFGVXJPB-UHFFFAOYSA-N	0	0	308.334	2.481	10	5		DEBERN
CC1(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)COC1	ZINC000120446798	401990388	/nfs/dbraw/zinc/99/03/88/401990388.db2.gz	LDFGWBVCOMASRF-UHFFFAOYSA-N	0	0	321.377	2.253	10	5		DEBERN
Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1S(C)(=O)=O	ZINC000089202224	401938905	/nfs/dbraw/zinc/93/89/05/401938905.db2.gz	XTADKILBTZXJEJ-UHFFFAOYSA-N	0	0	324.314	2.152	10	5		DEBERN
C[C@@H]1OCC[C@H]1S(=O)(=O)Oc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000135547218	401944274	/nfs/dbraw/zinc/94/42/74/401944274.db2.gz	NXAIKLUBDAULAM-WRWORJQWSA-N	0	0	321.738	2.134	10	5		DEBERN
Cc1ncc([N+](=O)[O-])n1CC(=O)NCc1ccc(Cl)s1	ZINC000049418676	402017236	/nfs/dbraw/zinc/01/72/36/402017236.db2.gz	OYAZLOYBHYQRCW-UHFFFAOYSA-N	0	0	314.754	2.131	10	5		DEBERN
CC(=O)OCCOC(=O)c1cc(O)c2cc([N+](=O)[O-])ccc2c1	ZINC000095937647	402034647	/nfs/dbraw/zinc/03/46/47/402034647.db2.gz	IWBOJBHTWANKJG-UHFFFAOYSA-N	0	0	319.269	2.174	10	5		DEBERN
Cc1ccccc1[C@H](C)NC(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000151705203	402051368	/nfs/dbraw/zinc/05/13/68/402051368.db2.gz	VRVXHMCCPWXCHK-LBPRGKRZSA-N	0	0	317.349	2.160	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@](C)(CO)C1CCCCC1	ZINC000152951601	402118786	/nfs/dbraw/zinc/11/87/86/402118786.db2.gz	HULQPQJMWXAQRU-INIZCTEOSA-N	0	0	321.377	2.359	10	5		DEBERN
C[C@@H](CO)[C@H](C)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000097597562	402128088	/nfs/dbraw/zinc/12/80/88/402128088.db2.gz	SSBMJWRNNDAFOF-YUMQZZPRSA-N	0	0	301.730	2.387	10	5		DEBERN
Cc1ccc(C[C@H](C)N(C)C(=O)c2c([N+](=O)[O-])cnn2C)cc1	ZINC000123787657	402146285	/nfs/dbraw/zinc/14/62/85/402146285.db2.gz	BZPLZSLTEOQTGL-LBPRGKRZSA-N	0	0	316.361	2.340	10	5		DEBERN
COC[C@@H](C)C(=O)Nc1cc(C)nn1-c1ccc([N+](=O)[O-])cc1	ZINC000103435066	402188086	/nfs/dbraw/zinc/18/80/86/402188086.db2.gz	NNCYHMYBWJXXNQ-SNVBAGLBSA-N	0	0	318.333	2.310	10	5		DEBERN
Cc1sc(C(=O)NC[C@H](C)Cn2ccnc2)cc1[N+](=O)[O-]	ZINC000153738751	402166771	/nfs/dbraw/zinc/16/67/71/402166771.db2.gz	GULTZRULBDDRHJ-VIFPVBQESA-N	0	0	308.363	2.227	10	5		DEBERN
Cc1sc(C(=O)N2CCC[C@@H]2c2nncn2C)cc1[N+](=O)[O-]	ZINC000125525500	402237262	/nfs/dbraw/zinc/23/72/62/402237262.db2.gz	SEBOTSPYUPFGOM-SECBINFHSA-N	0	0	321.362	2.071	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(Cn2cccn2)CC1	ZINC000126040390	402261761	/nfs/dbraw/zinc/26/17/61/402261761.db2.gz	WKTPOSYBYHFERR-UHFFFAOYSA-N	0	0	314.345	2.344	10	5		DEBERN
COC(=O)[C@H](NC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1)C(C)C	ZINC000184954446	402312681	/nfs/dbraw/zinc/31/26/81/402312681.db2.gz	NNBZFGDJOZZEJI-CFRMROPGSA-N	0	0	320.345	2.312	10	5		DEBERN
CCOC(=O)C[C@@H](C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000160348717	402342067	/nfs/dbraw/zinc/34/20/67/402342067.db2.gz	IWPYABKDILTTGD-SECBINFHSA-N	0	0	319.317	2.148	10	5		DEBERN
Cc1ccc(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c(C)n1	ZINC000186364842	402425550	/nfs/dbraw/zinc/42/55/50/402425550.db2.gz	ULYUKIIRRITDHB-UHFFFAOYSA-N	0	0	311.297	2.403	10	5		DEBERN
COC(=O)[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C1	ZINC000163209517	402444724	/nfs/dbraw/zinc/44/47/24/402444724.db2.gz	WBFGLOKOCUJIHJ-NSHDSACASA-N	0	0	321.333	2.320	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C(=O)OC(C)(C)C)C2)n1	ZINC000178250649	402476718	/nfs/dbraw/zinc/47/67/18/402476718.db2.gz	QZZGTSFGXRTRRH-NSHDSACASA-N	0	0	307.350	2.466	10	5		DEBERN
Cc1c(C(=O)N[C@@H]2Cc3ccccc3[C@H]2O)cccc1[N+](=O)[O-]	ZINC000178342392	402486927	/nfs/dbraw/zinc/48/69/27/402486927.db2.gz	HQQWXRZTTFOQJG-GDBMZVCRSA-N	0	0	312.325	2.291	10	5		DEBERN
COc1ccc(S(=O)(=O)N2CCCC2(C)C)cc1[N+](=O)[O-]	ZINC000170874019	402536482	/nfs/dbraw/zinc/53/64/82/402536482.db2.gz	OLQKZIQYHVSUPM-UHFFFAOYSA-N	0	0	314.363	2.167	10	5		DEBERN
CCCc1cc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])[nH]n1	ZINC000180818881	402627170	/nfs/dbraw/zinc/62/71/70/402627170.db2.gz	XNIVNEZDKPHKCV-UHFFFAOYSA-N	0	0	324.362	2.212	10	5		DEBERN
C[C@@H]1C[C@@H](O)C[C@H](C)N1Cc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000249076122	402619390	/nfs/dbraw/zinc/61/93/90/402619390.db2.gz	RWYRBXZASSEQIO-QHBPRCKVSA-N	0	0	322.361	2.195	10	5		DEBERN
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1C[C@H]2CCC[C@@H](C1)C2O	ZINC000172360339	402651966	/nfs/dbraw/zinc/65/19/66/402651966.db2.gz	GXRPLDQMLHGVLX-GEYIFGRVSA-N	0	0	316.357	2.227	10	5		DEBERN
CC[C@@](C)(CCO)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21	ZINC000182792854	402716516	/nfs/dbraw/zinc/71/65/16/402716516.db2.gz	OCZIBCFGFOIPKM-HNNXBMFYSA-N	0	0	305.334	2.357	10	5		DEBERN
Cc1cnc(COC(=O)[C@@H]2CCCO[C@H]2C)c(C)c1[N+](=O)[O-]	ZINC000192302652	402721736	/nfs/dbraw/zinc/72/17/36/402721736.db2.gz	RBLDWHITJWGLDH-NWDGAFQWSA-N	0	0	308.334	2.465	10	5		DEBERN
C[C@@H]1CC[C@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000173205923	402688267	/nfs/dbraw/zinc/68/82/67/402688267.db2.gz	MEDBUUUIYIOMRG-DTWKUNHWSA-N	0	0	304.393	2.465	10	5		DEBERN
C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](N2CCOCC2)C1	ZINC000173941262	402720647	/nfs/dbraw/zinc/72/06/47/402720647.db2.gz	QWDXJCOUNIOPEL-BBRMVZONSA-N	0	0	305.378	2.062	10	5		DEBERN
CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000174946754	402765599	/nfs/dbraw/zinc/76/55/99/402765599.db2.gz	RRPZIHMXYPAFPW-GFCCVEGCSA-N	0	0	320.345	2.399	10	5		DEBERN
CSc1cccc(C(=O)N2CCC(=O)[C@H](C)C2)c1[N+](=O)[O-]	ZINC000193940624	402779394	/nfs/dbraw/zinc/77/93/94/402779394.db2.gz	BDAUHQXWUZROLD-SECBINFHSA-N	0	0	308.359	2.368	10	5		DEBERN
CCOC(=O)C(C)(C)NCc1cc(OC)c(F)cc1[N+](=O)[O-]	ZINC000184198474	402825861	/nfs/dbraw/zinc/82/58/61/402825861.db2.gz	KFZQHXOPIGVHFE-UHFFFAOYSA-N	0	0	314.313	2.174	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC(C)(C)OC1=O	ZINC000273314935	402993098	/nfs/dbraw/zinc/99/30/98/402993098.db2.gz	JDIWDZKWDIIWNB-FROQITRMSA-N	0	0	318.329	2.208	10	5		DEBERN
COC(=O)c1cc(N2CCC(OC)CC2)cc(C)c1[N+](=O)[O-]	ZINC000268449698	403084267	/nfs/dbraw/zinc/08/42/67/403084267.db2.gz	ABJCLNUDRCRRSM-UHFFFAOYSA-N	0	0	308.334	2.305	10	5		DEBERN
C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)C[C@H](C)O1	ZINC000283597811	403209099	/nfs/dbraw/zinc/20/90/99/403209099.db2.gz	UHQDIKFQHNCUGV-QWRGUYRKSA-N	0	0	317.349	2.004	10	5		DEBERN
Cc1cc(N2C[C@H](N3CCOCC3)[C@@H](C)C2)c(F)cc1[N+](=O)[O-]	ZINC000292589968	403371175	/nfs/dbraw/zinc/37/11/75/403371175.db2.gz	LOXXDTHMMGYLTH-LRDDRELGSA-N	0	0	323.368	2.199	10	5		DEBERN
CC(=O)c1cc([N+](=O)[O-])ccc1N1CCc2cc[nH]c(=O)c2C1	ZINC000287651648	403643363	/nfs/dbraw/zinc/64/33/63/403643363.db2.gz	IFXPAEWUQJCRLU-UHFFFAOYSA-N	0	0	313.313	2.461	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H]1c1nc[nH]n1	ZINC000182762722	286384064	/nfs/dbraw/zinc/38/40/64/286384064.db2.gz	ZMTPHHWUXWIMNW-ZDUSSCGKSA-N	0	0	317.349	2.449	10	5		DEBERN
C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC(=O)N(C)[C@H](C)C1	ZINC000337550765	404092887	/nfs/dbraw/zinc/09/28/87/404092887.db2.gz	RPOUTPGMPWQLTR-BWODNOAJSA-N	0	0	303.362	2.161	10	5		DEBERN
C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCO[C@H]([C@H](C)O)C1	ZINC000414592937	404689109	/nfs/dbraw/zinc/68/91/09/404689109.db2.gz	ZWOASPBHRYLGQD-KANSDYPASA-N	0	0	306.362	2.080	10	5		DEBERN
CC1(C)CN(Cc2cccc([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1	ZINC000376018669	404789349	/nfs/dbraw/zinc/78/93/49/404789349.db2.gz	KDOPNOCICPGRPJ-MRXNPFEDSA-N	0	0	306.362	2.365	10	5		DEBERN
C[C@H](NC(=O)N1CCOCC[C@@H]1C)c1cccc([N+](=O)[O-])c1	ZINC000378431667	404962983	/nfs/dbraw/zinc/96/29/83/404962983.db2.gz	OHQIRLAEKACAIN-RYUDHWBXSA-N	0	0	307.350	2.476	10	5		DEBERN
COc1ccc(CNC(=O)N2CCC23CCC3)cc1[N+](=O)[O-]	ZINC000435615014	404995194	/nfs/dbraw/zinc/99/51/94/404995194.db2.gz	GFKABDLEOVNQAD-UHFFFAOYSA-N	0	0	305.334	2.441	10	5		DEBERN
COC(=O)c1cc(C)nc(N2CC3CCC2CC3)c1[N+](=O)[O-]	ZINC000367431881	405047325	/nfs/dbraw/zinc/04/73/25/405047325.db2.gz	ZDGDFLUGHJNNTP-UHFFFAOYSA-N	0	0	305.334	2.464	10	5		DEBERN
O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O	ZINC000407961566	405076698	/nfs/dbraw/zinc/07/66/98/405076698.db2.gz	IBTHDDDBMNBLJO-MRVWCRGKSA-N	0	0	307.350	2.079	10	5		DEBERN
Cn1cc([C@@H]2OCC[C@H]2Nc2ccc(F)cc2[N+](=O)[O-])cn1	ZINC000425284187	405268485	/nfs/dbraw/zinc/26/84/85/405268485.db2.gz	MYEPIHKOYXHOLV-OCCSQVGLSA-N	0	0	306.297	2.410	10	5		DEBERN
CC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1O	ZINC000556892059	405558124	/nfs/dbraw/zinc/55/81/24/405558124.db2.gz	HNJIWJBBSUWNCT-UHFFFAOYSA-N	0	0	315.285	2.459	10	5		DEBERN
COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@H](CO)C1CC1	ZINC000450536448	405946754	/nfs/dbraw/zinc/94/67/54/405946754.db2.gz	AXYBCJHCMIXADE-LLVKDONJSA-N	0	0	317.345	2.004	10	5		DEBERN
O=[N+]([O-])c1ccc(N2CCC(OC[C@@H]3CCOC3)CC2)cn1	ZINC000561775005	405948143	/nfs/dbraw/zinc/94/81/43/405948143.db2.gz	JYPBBUNBAMBVDY-GFCCVEGCSA-N	0	0	307.350	2.012	10	5		DEBERN
O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(C2CCC2)cc1	ZINC000488616013	406335334	/nfs/dbraw/zinc/33/53/34/406335334.db2.gz	CCMMUUALUHXMNY-UHFFFAOYSA-N	0	0	301.306	2.093	10	5		DEBERN
C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cc([N+](=O)[O-])cn1C	ZINC000548421101	406513904	/nfs/dbraw/zinc/51/39/04/406513904.db2.gz	OKDLLTOMEGIYQJ-VXNVDRBHSA-N	0	0	305.256	2.346	10	5		DEBERN
NC(=O)c1cc(OC(F)F)c(Br)cc1[N+](=O)[O-]	ZINC000575683146	406818221	/nfs/dbraw/zinc/81/82/21/406818221.db2.gz	KQMRENIJKKRQHP-UHFFFAOYSA-N	0	0	311.038	2.058	10	5		DEBERN
Cn1c(C(=O)N2CCC(C3CCOCC3)CC2)ccc1[N+](=O)[O-]	ZINC000554553838	406811791	/nfs/dbraw/zinc/81/17/91/406811791.db2.gz	FPUDYQQLHSDUJI-UHFFFAOYSA-N	0	0	321.377	2.212	10	5		DEBERN
NC(=O)c1cc(Br)c(Br)cc1[N+](=O)[O-]	ZINC000575693838	406818775	/nfs/dbraw/zinc/81/87/75/406818775.db2.gz	DAMVCRAMUZFHOR-UHFFFAOYSA-N	0	0	323.928	2.219	10	5		DEBERN
COC(=O)c1cc(C)cc(I)c1[N+](=O)[O-]	ZINC000575714093	406822156	/nfs/dbraw/zinc/82/21/56/406822156.db2.gz	DCGNKRKHJHKXRY-UHFFFAOYSA-N	0	0	321.070	2.294	10	5		DEBERN
COCCCOC1CN(c2ccc([N+](=O)[O-])c3cnccc32)C1	ZINC000128745441	195987822	/nfs/dbraw/zinc/98/78/22/195987822.db2.gz	OCXBAEOEJBCLKM-UHFFFAOYSA-N	0	0	317.345	2.385	10	5		DEBERN
C[C@H](C1CC1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000129863312	196081272	/nfs/dbraw/zinc/08/12/72/196081272.db2.gz	HFBWLYADZMESQT-MRVPVSSYSA-N	0	0	302.327	2.153	10	5		DEBERN
CCN(CCc1nccs1)C(=O)c1cccc([N+](=O)[O-])c1N	ZINC000131167043	196145455	/nfs/dbraw/zinc/14/54/55/196145455.db2.gz	POXDWFIHTQVALJ-UHFFFAOYSA-N	0	0	320.374	2.338	10	5		DEBERN
O=[N+]([O-])c1c(Cl)ncnc1NCC1(CO)CCCCC1	ZINC000131209672	196150860	/nfs/dbraw/zinc/15/08/60/196150860.db2.gz	XJPCQSVUXZETEZ-UHFFFAOYSA-N	0	0	300.746	2.393	10	5		DEBERN
CCCC[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1	ZINC000132394830	196253039	/nfs/dbraw/zinc/25/30/39/196253039.db2.gz	PKFJCPJMSTZVSL-VIFPVBQESA-N	0	0	301.368	2.034	10	5		DEBERN
CCc1ccc(N[C@H](C)CS(=O)(=O)CC)cc1[N+](=O)[O-]	ZINC000132232108	196236715	/nfs/dbraw/zinc/23/67/15/196236715.db2.gz	PWVJMTGQFFCXDN-SNVBAGLBSA-N	0	0	300.380	2.392	10	5		DEBERN
CCNc1cc(S(=O)(=O)NCCC2CC2)ccc1[N+](=O)[O-]	ZINC000132878772	196292735	/nfs/dbraw/zinc/29/27/35/196292735.db2.gz	CLYDFWQJWPSXNE-UHFFFAOYSA-N	0	0	313.379	2.105	10	5		DEBERN
Cc1ccc([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])o3)CCO2)o1	ZINC000133920653	196345989	/nfs/dbraw/zinc/34/59/89/196345989.db2.gz	SEICOHXRZOSFIB-GFCCVEGCSA-N	0	0	306.274	2.303	10	5		DEBERN
C[C@H]1CN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)C[C@H](C)O1	ZINC000134017771	196353617	/nfs/dbraw/zinc/35/36/17/196353617.db2.gz	ZINPIKLBVWJIHN-YUMQZZPRSA-N	0	0	300.261	2.122	10	5		DEBERN
C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1nnc2n1CCCC2	ZINC000134101739	196361687	/nfs/dbraw/zinc/36/16/87/196361687.db2.gz	HZNGHZTYPSHXOB-JTQLQIEISA-N	0	0	315.333	2.014	10	5		DEBERN
C[NH+](C)CC1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000182148663	224910931	/nfs/dbraw/zinc/91/09/31/224910931.db2.gz	ZEXFYOHABQKNJU-UHFFFAOYSA-N	0	0	321.377	2.151	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(C)cc2OC)n1	ZINC000191667307	225114642	/nfs/dbraw/zinc/11/46/42/225114642.db2.gz	JCUXMIUDDORTHQ-UHFFFAOYSA-N	0	0	318.333	2.058	10	5		DEBERN
O=[N+]([O-])c1ccc(NCc2ccnc(O[C@@H]3CCOC3)c2)nc1	ZINC000301907763	229974759	/nfs/dbraw/zinc/97/47/59/229974759.db2.gz	ZYDBSZMJYJNTNN-CYBMUJFWSA-N	0	0	316.317	2.165	10	5		DEBERN
O=[N+]([O-])c1ccc(CO)cc1N[C@@H]1CCN(c2ccccn2)C1	ZINC000302038244	230053690	/nfs/dbraw/zinc/05/36/90/230053690.db2.gz	MUDSDJFUEUWUGH-CYBMUJFWSA-N	0	0	314.345	2.173	10	5		DEBERN
Cc1ccc([C@](C)(O)CNc2cc(CO)ccc2[N+](=O)[O-])o1	ZINC000302037224	230054198	/nfs/dbraw/zinc/05/41/98/230054198.db2.gz	MJXGGCIKBMIRHR-OAHLLOKOSA-N	0	0	306.318	2.308	10	5		DEBERN
CC(C)(C)n1cnc(NC(=O)NCc2cccc([N+](=O)[O-])c2)n1	ZINC000541505630	421795403	/nfs/dbraw/zinc/79/54/03/421795403.db2.gz	FHCPYURGIUEXKX-UHFFFAOYSA-N	0	0	318.337	2.263	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N(Cc1cccnc1)C1CC1	ZINC000195137859	424880212	/nfs/dbraw/zinc/88/02/12/424880212.db2.gz	HXJOVRXLWMZKEP-UHFFFAOYSA-N	0	0	312.329	2.498	10	5		DEBERN
Cc1nc2cc(NC(=O)c3c([N+](=O)[O-])c(C)nn3C)ccc2o1	ZINC000193896108	267769637	/nfs/dbraw/zinc/76/96/37/267769637.db2.gz	LGCCMFPKOMPBAV-UHFFFAOYSA-N	0	0	315.289	2.339	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C)[C@@H]1C	ZINC000248367073	268614352	/nfs/dbraw/zinc/61/43/52/268614352.db2.gz	SWOGWHXCHSCHCJ-ZJUUUORDSA-N	0	0	314.363	2.022	10	5		DEBERN
CC(C)C(C)(C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000520494790	269440144	/nfs/dbraw/zinc/44/01/44/269440144.db2.gz	DDFXHJJZKBESDF-UHFFFAOYSA-N	0	0	300.380	2.449	10	5		DEBERN
Cc1cc(N[C@@H]2CCS(=O)(=O)C2)c2cccc([N+](=O)[O-])c2n1	ZINC000302015878	278734398	/nfs/dbraw/zinc/73/43/98/278734398.db2.gz	LTKWFYYSMWVISX-SNVBAGLBSA-N	0	0	321.358	2.050	10	5		DEBERN
CCN(CC)C(=O)C1CCN(c2nccc(C)c2[N+](=O)[O-])CC1	ZINC000301246604	279065658	/nfs/dbraw/zinc/06/56/58/279065658.db2.gz	AVRVGVKTAWLHDY-UHFFFAOYSA-N	0	0	320.393	2.383	10	5		DEBERN
CCNC(=O)[C@H]1CCCN(c2cccc(OCC)c2[N+](=O)[O-])C1	ZINC000302208434	279494132	/nfs/dbraw/zinc/49/41/32/279494132.db2.gz	FMWXRCHNRKETKB-LBPRGKRZSA-N	0	0	321.377	2.346	10	5		DEBERN
C[C@@H]1OCC[C@H]1S(=O)(=O)Oc1c(Cl)cccc1[N+](=O)[O-]	ZINC000190272558	288914134	/nfs/dbraw/zinc/91/41/34/288914134.db2.gz	WPYMFWNLAYYZMT-OIBJUYFYSA-N	0	0	321.738	2.134	10	5		DEBERN
COC[C@H]1CCCCN1c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-]	ZINC000450945476	293204718	/nfs/dbraw/zinc/20/47/18/293204718.db2.gz	ZTMJEFJKAKDICH-LLVKDONJSA-N	0	0	323.349	2.090	10	5		DEBERN
Cn1cc([C@]2(C)CN(c3cccc(F)c3[N+](=O)[O-])CCO2)cn1	ZINC000268417546	294309172	/nfs/dbraw/zinc/30/91/72/294309172.db2.gz	VYTOWLURBLGTBM-HNNXBMFYSA-N	0	0	320.324	2.219	10	5		DEBERN
C[C@H]1CO[C@@H](c2ccccc2)CN1c1c([N+](=O)[O-])ncn1C	ZINC000267312539	300366242	/nfs/dbraw/zinc/36/62/42/300366242.db2.gz	XJKSBTGAAQFAHV-WCQYABFASA-N	0	0	302.334	2.295	10	5		DEBERN
Cn1cnc([N+](=O)[O-])c1N1CCC[C@]2(C1)OCc1ccccc12	ZINC000408335434	303020627	/nfs/dbraw/zinc/02/06/27/303020627.db2.gz	UYULBBLZBFHDFC-MRXNPFEDSA-N	0	0	314.345	2.354	10	5		DEBERN
COC(=O)c1cc(N2CCC[C@@H]([C@H](C)O)C2)cc(C)c1[N+](=O)[O-]	ZINC000301779471	533849921	/nfs/dbraw/zinc/84/99/21/533849921.db2.gz	MUEPLIDAXVOOQN-NWDGAFQWSA-N	0	0	322.361	2.287	10	5		DEBERN
COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCc1ccn(C)n1	ZINC000447801064	533933876	/nfs/dbraw/zinc/93/38/76/533933876.db2.gz	BCMAXJVYKBPURE-UHFFFAOYSA-N	0	0	324.724	2.380	10	5		DEBERN
COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@@H]2CCCC[C@@H]2O)c1	ZINC000302163777	534244759	/nfs/dbraw/zinc/24/47/59/534244759.db2.gz	KKDWNVRSFJPXBE-WFASDCNBSA-N	0	0	322.361	2.369	10	5		DEBERN
CC(=O)c1ccc2c(c1)CCN(c1ncc([N+](=O)[O-])cn1)CC2	ZINC000364859243	518412431	/nfs/dbraw/zinc/41/24/31/518412431.db2.gz	SYONQCGMZYNKHT-UHFFFAOYSA-N	0	0	312.329	2.193	10	5		DEBERN
COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H]1C	ZINC000132237530	521781650	/nfs/dbraw/zinc/78/16/50/521781650.db2.gz	RHUUFYFITZFABA-JOYOIKCWSA-N	0	0	310.375	2.472	10	5		DEBERN
O=C1CN(c2ccc([N+](=O)[O-])cc2)CCN1CC1CCCC1	ZINC000301824847	534775596	/nfs/dbraw/zinc/77/55/96/534775596.db2.gz	OASHOLKYWFJKNG-UHFFFAOYSA-N	0	0	303.362	2.434	10	5		DEBERN
CCC(CC)N(CCOC)C(=O)c1nn(CC)cc1[N+](=O)[O-]	ZINC000191532680	528779700	/nfs/dbraw/zinc/77/97/00/528779700.db2.gz	BTVJVEGODMCDAW-UHFFFAOYSA-N	0	0	312.370	2.088	10	5		DEBERN
CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CCCCC(N)=O	ZINC000188803407	528942578	/nfs/dbraw/zinc/94/25/78/528942578.db2.gz	DFHUCAUYNQAMCT-UHFFFAOYSA-N	0	0	321.377	2.378	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)CCCO3)n1	ZINC000191589320	529154863	/nfs/dbraw/zinc/15/48/63/529154863.db2.gz	WSCRACBNWZEXPO-UHFFFAOYSA-N	0	0	316.317	2.389	10	5		DEBERN
Cc1nn(CN(C)[C@H](C)C(=O)OC(C)(C)C)c(C)c1[N+](=O)[O-]	ZINC000177644439	625046700	/nfs/dbraw/zinc/04/67/00/625046700.db2.gz	QLKPLIRLLJVIIU-LLVKDONJSA-N	0	0	312.370	2.028	10	5		DEBERN
C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1cc([N+](=O)[O-])cn1	ZINC000126179318	636171398	/nfs/dbraw/zinc/17/13/98/636171398.db2.gz	CMNOVCPAMSBJRT-SECBINFHSA-N	0	0	303.278	2.108	10	5		DEBERN
CC(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1	ZINC000727711296	638263548	/nfs/dbraw/zinc/26/35/48/638263548.db2.gz	VJLXLKJKLGWWQA-LBPRGKRZSA-N	0	0	311.725	2.198	10	5		DEBERN
CCc1ccc(C(=O)OC/C=C(\C)C(=O)OC)cc1[N+](=O)[O-]	ZINC000748194491	638526707	/nfs/dbraw/zinc/52/67/07/638526707.db2.gz	WWAOEUNIZSCQQU-JXMROGBWSA-N	0	0	307.302	2.433	10	5		DEBERN
CC(=O)N1CCC(C(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])CC1	ZINC000749053887	638612232	/nfs/dbraw/zinc/61/22/32/638612232.db2.gz	FHYGXPPSOADWEN-NSHDSACASA-N	0	0	320.345	2.458	10	5		DEBERN
C/C(=C/C(=O)O[C@@H]1CC(=O)N(C)[C@H]1C)c1ccc([N+](=O)[O-])cc1	ZINC000806070014	644504116	/nfs/dbraw/zinc/50/41/16/644504116.db2.gz	GOKYJSFEGYEDBX-QGGJYJPNSA-N	0	0	318.329	2.161	10	5		DEBERN
C[C@H]1[C@H](O)CCCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1	ZINC000908697752	644959814	/nfs/dbraw/zinc/95/98/14/644959814.db2.gz	VUGZMPNAJIUKPI-WRWORJQWSA-N	0	0	316.716	2.373	10	5		DEBERN
COC(=O)c1ccoc1C(=O)OCc1ccc([N+](=O)[O-])c(F)c1	ZINC000800264706	645248275	/nfs/dbraw/zinc/24/82/75/645248275.db2.gz	DOWLNXXLMZLXLY-UHFFFAOYSA-N	0	0	323.232	2.471	10	5		DEBERN
O=[N+]([O-])c1ccc2ncnc(N3CCO[C@@H](C(F)F)C3)c2c1	ZINC000800877015	645316279	/nfs/dbraw/zinc/31/62/79/645316279.db2.gz	XTVKXCOXGKFYPN-LLVKDONJSA-N	0	0	310.260	2.008	10	5		DEBERN
CO[C@@H]1CCC[C@@H](OC(=O)COc2cccc([N+](=O)[O-])c2)C1	ZINC000075537156	646400409	/nfs/dbraw/zinc/40/04/09/646400409.db2.gz	XIMJHGZGSLFLEX-TZMCWYRMSA-N	0	0	309.318	2.474	10	5		DEBERN
NC(=O)c1ccccc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000119826361	684087498	/nfs/dbraw/zinc/08/74/98/684087498.db2.gz	PTIXQMLHYHYLAK-UHFFFAOYSA-N	0	0	324.296	2.427	10	5		DEBERN
CN(CCOC(=O)[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1	ZINC000122156253	684113011	/nfs/dbraw/zinc/11/30/11/684113011.db2.gz	MFKQABQHXIYOSH-AWEZNQCLSA-N	0	0	308.334	2.143	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C(=O)OCC(C)C	ZINC000124864013	684139720	/nfs/dbraw/zinc/13/97/20/684139720.db2.gz	KABRDSCYWKJVIL-NSHDSACASA-N	0	0	308.334	2.221	10	5		DEBERN
C[C@H]1OCC[C@@H]1S(=O)(=O)Oc1ccc([N+](=O)[O-])c(Cl)c1	ZINC000135548167	684236170	/nfs/dbraw/zinc/23/61/70/684236170.db2.gz	FEJXLFGOIAYDNU-HQJQHLMTSA-N	0	0	321.738	2.134	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(Cc2cccc([N+](=O)[O-])c2C)c1=O	ZINC000155906966	684282043	/nfs/dbraw/zinc/28/20/43/684282043.db2.gz	FTIKBMFYOWOFRW-UHFFFAOYSA-N	0	0	303.274	2.330	10	5		DEBERN
COc1cccc(C(=O)N[C@H]2COc3ccccc32)c1[N+](=O)[O-]	ZINC000194179351	685059474	/nfs/dbraw/zinc/05/94/74/685059474.db2.gz	ZDHIHHPHEWFZCW-LBPRGKRZSA-N	0	0	314.297	2.467	10	5		DEBERN
CC(C)(CNc1cccc(F)c1[N+](=O)[O-])CS(C)(=O)=O	ZINC000723879740	777197814	/nfs/dbraw/zinc/19/78/14/777197814.db2.gz	RKSRSSJBRYZZKY-UHFFFAOYSA-N	0	0	304.343	2.217	10	5		DEBERN
Cc1ncc([N+](=O)[O-])n1CCOC(=O)/C=C\c1ncccc1C	ZINC000588456512	777218418	/nfs/dbraw/zinc/21/84/18/777218418.db2.gz	RYKBRSVQMWNULS-WAYWQWQTSA-N	0	0	316.317	2.060	10	5		DEBERN
O=[N+]([O-])c1c(Br)cccc1NCCc1nnc[nH]1	ZINC000310990661	780639938	/nfs/dbraw/zinc/63/99/38/780639938.db2.gz	VMWIDKRHQNSPEB-UHFFFAOYSA-N	0	0	312.127	2.130	10	5		DEBERN
CS[C@H](CO)[C@@H](C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000228244727	796666374	/nfs/dbraw/zinc/66/63/74/796666374.db2.gz	CFDCWPYOMCTCGA-GMSGAONNSA-N	0	0	318.782	2.090	10	5		DEBERN
O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC=C(Br)C1	ZINC000404349269	802017549	/nfs/dbraw/zinc/01/75/49/802017549.db2.gz	KAXPRSSAFZBJJZ-UHFFFAOYSA-N	0	0	300.112	2.048	10	5		DEBERN
C[C@H](F)CCNC(=O)c1cc([N+](=O)[O-])ncc1Br	ZINC000702569735	1086444687	/nfs/dbraw/zinc/44/46/87/1086444687.db2.gz	JZFFXFAPWSYOHK-LURJTMIESA-N	0	0	320.118	2.230	10	5		DEBERN
CCOC(CC[S@@](=O)c1ccc([N+](=O)[O-])cc1)OCC	ZINC000081917453	192339194	/nfs/dbraw/zinc/33/91/94/192339194.db2.gz	PYDRGSOKVFTEQR-FQEVSTJZSA-N	0	0	301.364	2.492	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)NCCCC2CC2)cc1F	ZINC000162816130	197593825	/nfs/dbraw/zinc/59/38/25/197593825.db2.gz	QCJOSXPOXCBMAL-UHFFFAOYSA-N	0	0	302.327	2.202	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(CC(=O)OC2CCC(C)CC2)c1=O	ZINC000096778334	185387122	/nfs/dbraw/zinc/38/71/22/185387122.db2.gz	PVXQWRVEIWBKFS-UHFFFAOYSA-N	0	0	308.334	2.187	10	5		DEBERN
CCC(=O)[C@H](C)n1cc([N+](=O)[O-])c(C)c(Br)c1=O	ZINC000165410651	197675896	/nfs/dbraw/zinc/67/58/96/197675896.db2.gz	GXRFIXOJYWYWEP-ZETCQYMHSA-N	0	0	317.139	2.368	10	5		DEBERN
O=C(Nc1ncccc1Br)c1cc([N+](=O)[O-])c[nH]1	ZINC000088447680	185251152	/nfs/dbraw/zinc/25/11/52/185251152.db2.gz	XWZVFMVWLHRFSZ-UHFFFAOYSA-N	0	0	311.095	2.333	10	5		DEBERN
O=[N+]([O-])c1cc(CNCc2c[nH]cn2)ccc1Br	ZINC000088750917	185263876	/nfs/dbraw/zinc/26/38/76/185263876.db2.gz	RFATZZZACQBPKY-UHFFFAOYSA-N	0	0	311.139	2.370	10	5		DEBERN
COC(=O)[C@H](C)C[S@@](=O)Cc1c(Cl)cccc1[N+](=O)[O-]	ZINC000090105468	185282491	/nfs/dbraw/zinc/28/24/91/185282491.db2.gz	BZKVXRJMDYLCTE-SQFXPLBJSA-N	0	0	319.766	2.306	10	5		DEBERN
COC(=O)[C@@H](C)C[S@@](=O)Cc1c(Cl)cccc1[N+](=O)[O-]	ZINC000090105465	185282562	/nfs/dbraw/zinc/28/25/62/185282562.db2.gz	BZKVXRJMDYLCTE-FHZGZLOMSA-N	0	0	319.766	2.306	10	5		DEBERN
CCc1nnc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[nH]1	ZINC000182283009	282237925	/nfs/dbraw/zinc/23/79/25/282237925.db2.gz	GMBJQAGJQJHEDG-UHFFFAOYSA-N	0	0	300.278	2.009	10	5		DEBERN
CCCCCCC(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000092518747	185323801	/nfs/dbraw/zinc/32/38/01/185323801.db2.gz	JMODCSOKWIICIR-ZBFHGGJFSA-N	0	0	324.377	2.076	10	5		DEBERN
O=C(Cc1ccccc1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1	ZINC000188536270	282304379	/nfs/dbraw/zinc/30/43/79/282304379.db2.gz	YFINCCLUFNXTNQ-UHFFFAOYSA-N	0	0	312.325	2.427	10	5		DEBERN
COc1nc(Cl)nc(Oc2ccc([N+](=O)[O-])cc2F)n1	ZINC000061514251	190694171	/nfs/dbraw/zinc/69/41/71/190694171.db2.gz	DJBXQONRTKEOHA-UHFFFAOYSA-N	0	0	300.633	2.373	10	5		DEBERN
O=[N+]([O-])c1c(Cl)ncnc1NCCOCC(F)(F)F	ZINC000111643758	185620366	/nfs/dbraw/zinc/62/03/66/185620366.db2.gz	QRUQLFZXQCHOGU-UHFFFAOYSA-N	0	0	300.624	2.029	10	5		DEBERN
Cc1cc(=O)n(C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000080380493	192154005	/nfs/dbraw/zinc/15/40/05/192154005.db2.gz	JRSVBNXZYZNGBY-UHFFFAOYSA-N	0	0	301.302	2.163	10	5		DEBERN
CCCCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1N	ZINC000070469121	190900700	/nfs/dbraw/zinc/90/07/00/190900700.db2.gz	ANPOIZFSNCFUFG-UHFFFAOYSA-N	0	0	301.368	2.036	10	5		DEBERN
O=C(N[C@@H]1CCc2cc(Cl)ccc21)c1[nH]ncc1[N+](=O)[O-]	ZINC000138556035	186017882	/nfs/dbraw/zinc/01/78/82/186017882.db2.gz	MUHWEOPATZRECV-SNVBAGLBSA-N	0	0	306.709	2.389	10	5		DEBERN
C[C@H](NC(=O)c1cc(Cl)c(NN)c([N+](=O)[O-])c1)C1CCC1	ZINC000138134622	186014239	/nfs/dbraw/zinc/01/42/39/186014239.db2.gz	ZONNXLJBXLYCPL-ZETCQYMHSA-N	0	0	312.757	2.452	10	5		DEBERN
CCNc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C1CCC1	ZINC000144245552	186035338	/nfs/dbraw/zinc/03/53/38/186035338.db2.gz	GDMXSOOHUOVLCC-UHFFFAOYSA-N	0	0	313.379	2.200	10	5		DEBERN
CNc1c(Cl)cc(C(=O)NCc2ccon2)cc1[N+](=O)[O-]	ZINC000149164930	186047645	/nfs/dbraw/zinc/04/76/45/186047645.db2.gz	HJYMQXIXSSLGQU-UHFFFAOYSA-N	0	0	310.697	2.208	10	5		DEBERN
Cc1ccc(Cn2ncc([N+](=O)[O-])c2N)c(Br)c1	ZINC000164054323	186146908	/nfs/dbraw/zinc/14/69/08/186146908.db2.gz	JNPMLYOAUSFQDG-UHFFFAOYSA-N	0	0	311.139	2.493	10	5		DEBERN
Cc1cc(N2CCC(c3cnn(C)c3)CC2)ncc1[N+](=O)[O-]	ZINC000266860084	186362719	/nfs/dbraw/zinc/36/27/19/186362719.db2.gz	WHYMHVLHMLPQGY-UHFFFAOYSA-N	0	0	301.350	2.416	10	5		DEBERN
COc1ccc(Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])cc1	ZINC000041817297	354178766	/nfs/dbraw/zinc/17/87/66/354178766.db2.gz	SHXAQWSRPXXUDT-UHFFFAOYSA-N	0	0	312.285	2.355	10	5		DEBERN
CCN(CC)C(=O)C1CCN(c2ncccc2[N+](=O)[O-])CC1	ZINC000058544507	354593860	/nfs/dbraw/zinc/59/38/60/354593860.db2.gz	PHIMDKXSACWWJY-UHFFFAOYSA-N	0	0	306.366	2.075	10	5		DEBERN
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2C[C@H]2c2cccs2)c1	ZINC000074777517	191358661	/nfs/dbraw/zinc/35/86/61/191358661.db2.gz	LEZBBMJOLBUXMH-VXGBXAGGSA-N	0	0	324.383	2.491	10	5		DEBERN
Cn1ncnc1CNc1ccc(Br)cc1[N+](=O)[O-]	ZINC000078677047	355273862	/nfs/dbraw/zinc/27/38/62/355273862.db2.gz	JAERLGVJWQDENC-UHFFFAOYSA-N	0	0	312.127	2.098	10	5		DEBERN
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc3[nH+]ccn3c2)c1	ZINC000074859563	191373776	/nfs/dbraw/zinc/37/37/76/191373776.db2.gz	KTPTUMFCSZAVIY-UHFFFAOYSA-N	0	0	318.314	2.043	10	5		DEBERN
Cc1cc(N2CCC[C@@H](NC(=O)C(C)C)C2)ncc1[N+](=O)[O-]	ZINC000080600317	355373714	/nfs/dbraw/zinc/37/37/14/355373714.db2.gz	HDRKIKKKEYTVGB-GFCCVEGCSA-N	0	0	306.366	2.039	10	5		DEBERN
Cc1ccsc1[C@@H](O)CNC(=O)c1ccccc1[N+](=O)[O-]	ZINC000077172062	191668290	/nfs/dbraw/zinc/66/82/90/191668290.db2.gz	CMOXBHUZPGHNNH-LBPRGKRZSA-N	0	0	306.343	2.428	10	5		DEBERN
O=[N+]([O-])c1cccnc1N1CCC[C@H](c2nncn2C2CC2)C1	ZINC000092825893	355652332	/nfs/dbraw/zinc/65/23/32/355652332.db2.gz	XCHVBPYNZUYUKR-NSHDSACASA-N	0	0	314.349	2.300	10	5		DEBERN
CN(Cc1nnc(C2CC2)n1C)Cc1ccccc1[N+](=O)[O-]	ZINC000154846866	355945141	/nfs/dbraw/zinc/94/51/41/355945141.db2.gz	ZLBBQIXVAIYJNP-UHFFFAOYSA-N	0	0	301.350	2.233	10	5		DEBERN
NC(=O)c1coc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1	ZINC000193314369	356224554	/nfs/dbraw/zinc/22/45/54/356224554.db2.gz	LIRBYSGQPZFUMO-HNNXBMFYSA-N	0	0	315.329	2.454	10	5		DEBERN
Cc1cc(C(=O)NCc2ccc(CO)c(F)c2)ccc1[N+](=O)[O-]	ZINC000194214829	356236297	/nfs/dbraw/zinc/23/62/97/356236297.db2.gz	QJHHADZCMCUDPW-UHFFFAOYSA-N	0	0	318.304	2.465	10	5		DEBERN
CO[C@H]1C[C@@H](CO)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1	ZINC000319758555	356442361	/nfs/dbraw/zinc/44/23/61/356442361.db2.gz	XZRHGWGXAWDYSM-UWVGGRQHSA-N	0	0	320.267	2.200	10	5		DEBERN
Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3CCC(C)(C)O3)n2)n1C	ZINC000350263623	356517383	/nfs/dbraw/zinc/51/73/83/356517383.db2.gz	IXDJKDXTLSVJOS-MRVPVSSYSA-N	0	0	307.310	2.317	10	5		DEBERN
COC(=O)c1ccc([N+](=O)[O-])c(NCCOCC2CCC2)n1	ZINC000578215085	356780134	/nfs/dbraw/zinc/78/01/34/356780134.db2.gz	KPGHYWVFVZADNU-UHFFFAOYSA-N	0	0	309.322	2.005	10	5		DEBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)C(C)(C)c1ccccc1	ZINC000585810054	357360562	/nfs/dbraw/zinc/36/05/62/357360562.db2.gz	FVIMRPMEXPVICY-UHFFFAOYSA-N	0	0	316.361	2.493	10	5		DEBERN
COC(=O)c1cc(C)nc(N2C[C@H](C)O[C@@H](C)[C@H]2C)c1[N+](=O)[O-]	ZINC000588027520	357390029	/nfs/dbraw/zinc/39/00/29/357390029.db2.gz	SNFIOYJFVHQZKE-AXFHLTTASA-N	0	0	323.349	2.087	10	5		DEBERN
O=C(N[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])c2cccnc12	ZINC000179754212	199076191	/nfs/dbraw/zinc/07/61/91/199076191.db2.gz	RMJHNZQSZXVEDI-SNVBAGLBSA-N	0	0	301.302	2.052	10	5		DEBERN
CC[C@@H](NC(=O)COCCCOC)c1cccc([N+](=O)[O-])c1	ZINC000181206270	199265355	/nfs/dbraw/zinc/26/53/55/199265355.db2.gz	QCDPECZHGPMNBS-CQSZACIVSA-N	0	0	310.350	2.215	10	5		DEBERN
CO[C@@H]1CN(C(=O)NCc2ccccc2[N+](=O)[O-])CC[C@@H]1C	ZINC000187352309	200100041	/nfs/dbraw/zinc/10/00/41/200100041.db2.gz	CXJZYJHOZIFLSC-SMDDNHRTSA-N	0	0	307.350	2.161	10	5		DEBERN
COc1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1O	ZINC000438078224	237846351	/nfs/dbraw/zinc/84/63/51/237846351.db2.gz	HRAMUQVWKNDGBX-UHFFFAOYSA-N	0	0	302.286	2.490	10	5		DEBERN
C[C@H]1OCC[C@H]1S(=O)(=O)Oc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000135547201	291235038	/nfs/dbraw/zinc/23/50/38/291235038.db2.gz	NXAIKLUBDAULAM-RDDDGLTNSA-N	0	0	321.738	2.134	10	5		DEBERN
CC(=O)CCCc1cn(Cc2c(F)cc([N+](=O)[O-])cc2F)nn1	ZINC000603246661	360764217	/nfs/dbraw/zinc/76/42/17/360764217.db2.gz	FHPAQQJOISVNSI-UHFFFAOYSA-N	0	0	324.287	2.425	10	5		DEBERN
CC(=O)CCc1ccc(OCc2cn(C)nc2[N+](=O)[O-])cc1	ZINC000603421129	360826795	/nfs/dbraw/zinc/82/67/95/360826795.db2.gz	RMZVSCAYGNGVIT-UHFFFAOYSA-N	0	0	303.318	2.429	10	5		DEBERN
CCCc1[nH]nc(C(=O)Nc2ccc3nccn3c2)c1[N+](=O)[O-]	ZINC000609989173	361351386	/nfs/dbraw/zinc/35/13/86/361351386.db2.gz	HOIOTCBELIINNU-UHFFFAOYSA-N	0	0	314.305	2.170	10	5		DEBERN
C[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)c1ccncc1	ZINC000610526723	361417154	/nfs/dbraw/zinc/41/71/54/361417154.db2.gz	UACYYOLXEGRAHC-LBPRGKRZSA-N	0	0	315.329	2.289	10	5		DEBERN
C[C@H](C(=O)N1CCC(=O)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F	ZINC000193940400	201150559	/nfs/dbraw/zinc/15/05/59/201150559.db2.gz	OOXIASPCYZMLSP-UWVGGRQHSA-N	0	0	308.309	2.275	10	5		DEBERN
Cc1cn(CC(=O)NC23CC4CC(CC(C4)C2)C3)nc1[N+](=O)[O-]	ZINC000619745409	363870409	/nfs/dbraw/zinc/87/04/09/363870409.db2.gz	GTWFBURPJVHFPF-UHFFFAOYSA-N	0	0	318.377	2.185	10	5		DEBERN
CCS(=O)(=O)CCn1nc(C(C)C)c([N+](=O)[O-])c1Cl	ZINC000091560587	193073688	/nfs/dbraw/zinc/07/36/88/193073688.db2.gz	YXMADQYUBARGRG-UHFFFAOYSA-N	0	0	309.775	2.003	10	5		DEBERN
NC(=O)c1cccc(CN(c2ccc([N+](=O)[O-])nc2)C2CC2)c1	ZINC000450632008	242038836	/nfs/dbraw/zinc/03/88/36/242038836.db2.gz	JXDTWIAPSDQVNL-UHFFFAOYSA-N	0	0	312.329	2.258	10	5		DEBERN
COc1cc(C(=O)N[C@@H]2CC[C@H](OC)C2)c([N+](=O)[O-])cc1F	ZINC000451110994	242611676	/nfs/dbraw/zinc/61/16/76/242611676.db2.gz	RFHXNFKMSYQLEE-BDAKNGLRSA-N	0	0	312.297	2.040	10	5		DEBERN
COC(=O)C[C@@H](C)[S@](=O)Cc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000093633832	193277649	/nfs/dbraw/zinc/27/76/49/193277649.db2.gz	WXXIRZAKRNGXSZ-SQFXPLBJSA-N	0	0	319.766	2.449	10	5		DEBERN
C[NH2+][C@]1(C(=O)[O-])CC[C@@H](Oc2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000093834457	193314369	/nfs/dbraw/zinc/31/43/69/193314369.db2.gz	OOKVTIFRVFZICF-NOZJJQNGSA-N	0	0	314.725	2.222	10	5		DEBERN
CC1(C)CCC[C@H](S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1[NH3+]	ZINC000094281647	193355938	/nfs/dbraw/zinc/35/59/38/193355938.db2.gz	AZVABGDSQUAPFE-STQMWFEESA-N	0	0	312.391	2.275	10	5		DEBERN
COC(=O)[C@@H](C)Nc1ccc(Br)c([N+](=O)[O-])c1	ZINC000094187988	193348208	/nfs/dbraw/zinc/34/82/08/193348208.db2.gz	KPAIWPQUNZUNTI-ZCFIWIBFSA-N	0	0	303.112	2.331	10	5		DEBERN
COC(=O)[C@H]1CCN(c2cc(F)c(Cl)cc2[N+](=O)[O-])C1	ZINC000095022084	193413959	/nfs/dbraw/zinc/41/39/59/193413959.db2.gz	CBGPZYOBVVDQIW-ZETCQYMHSA-N	0	0	302.689	2.387	10	5		DEBERN
Cc1cccc(NC(=O)Cn2cc([N+](=O)[O-])c(C)cc2=O)c1	ZINC000096547877	193678273	/nfs/dbraw/zinc/67/82/73/193678273.db2.gz	HMECEVWHWQOQRH-UHFFFAOYSA-N	0	0	301.302	2.012	10	5		DEBERN
O=[N+]([O-])c1cc(Cl)c(F)cc1N[C@H]1C=CS(=O)(=O)C1	ZINC000097356542	193710261	/nfs/dbraw/zinc/71/02/61/193710261.db2.gz	YRCIHFKOYNMURG-LURJTMIESA-N	0	0	306.702	2.110	10	5		DEBERN
CNc1c(Cl)cc(C(=O)N(C)[C@H]2CCOC2)cc1[N+](=O)[O-]	ZINC000161063729	197462183	/nfs/dbraw/zinc/46/21/83/197462183.db2.gz	YKJXOGBGLXEOGK-VIFPVBQESA-N	0	0	313.741	2.151	10	5		DEBERN
COC(=O)[C@H](C)NC(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1	ZINC000037976409	182948076	/nfs/dbraw/zinc/94/80/76/182948076.db2.gz	YJEAFKJWCADZTH-YFKPBYRVSA-N	0	0	321.116	2.193	10	5		DEBERN
O=C(c1cc(Cl)c(Cl)c([N+](=O)[O-])c1)N1CCNC1=O	ZINC000040419420	183064664	/nfs/dbraw/zinc/06/46/64/183064664.db2.gz	WDBFTTWZDLFZPS-UHFFFAOYSA-N	0	0	304.089	2.067	10	5		DEBERN
COc1ccc(CNc2ncnc(N(C)C)c2[N+](=O)[O-])cc1	ZINC000040608351	183108723	/nfs/dbraw/zinc/10/87/23/183108723.db2.gz	SMUNZLWUPNUUBZ-UHFFFAOYSA-N	0	0	303.322	2.072	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2oc(=O)[nH]c2c1	ZINC000044755287	183437839	/nfs/dbraw/zinc/43/78/39/183437839.db2.gz	YYARXPVYXNOIKI-UHFFFAOYSA-N	0	0	314.257	2.397	10	5		DEBERN
CCN(C(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[C@@H](C)COC	ZINC000050037733	183768635	/nfs/dbraw/zinc/76/86/35/183768635.db2.gz	HSBCFPGYRHRNSH-QMMMGPOBSA-N	0	0	302.277	2.370	10	5		DEBERN
CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C)CC1	ZINC000050635940	183793044	/nfs/dbraw/zinc/79/30/44/183793044.db2.gz	PKLRXRHXELYHSZ-UHFFFAOYSA-N	0	0	313.379	2.057	10	5		DEBERN
CCCNc1cc([N+](=O)[O-])cc(F)c1S(=O)(=O)N(C)CC	ZINC000050651768	183794765	/nfs/dbraw/zinc/79/47/65/183794765.db2.gz	LLUCILDGWMFFLS-UHFFFAOYSA-N	0	0	319.358	2.196	10	5		DEBERN
CCC[C@@H](C)N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NC	ZINC000050658670	183796134	/nfs/dbraw/zinc/79/61/34/183796134.db2.gz	GAWPFHMQWHMZHS-SNVBAGLBSA-N	0	0	315.395	2.446	10	5		DEBERN
COC(CNc1cc([N+](=O)[O-])ccc1Br)OC	ZINC000159341847	197347033	/nfs/dbraw/zinc/34/70/33/197347033.db2.gz	DRZFZQOBMMZEKU-UHFFFAOYSA-N	0	0	305.128	2.388	10	5		DEBERN
COC(=O)c1cc([N+](=O)[O-])c(N[C@H](C)[C@@H](C)CO)cc1Cl	ZINC000268856980	207024747	/nfs/dbraw/zinc/02/47/47/207024747.db2.gz	ZOBOPANEGNXJCX-JGVFFNPUSA-N	0	0	316.741	2.464	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2nccs2)C1	ZINC000110884730	194367144	/nfs/dbraw/zinc/36/71/44/194367144.db2.gz	FGJKFBUSHRLBBM-LBPRGKRZSA-N	0	0	319.342	2.265	10	5		DEBERN
CC[C@H](C)[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000057102663	184026750	/nfs/dbraw/zinc/02/67/50/184026750.db2.gz	RIUGEFHKXGEVRA-VHSXEESVSA-N	0	0	316.379	2.316	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2COc3ccccc32)cc1	ZINC000058507198	184120927	/nfs/dbraw/zinc/12/09/27/184120927.db2.gz	KKCXEWMLJVDHER-CYBMUJFWSA-N	0	0	320.326	2.007	10	5		DEBERN
O=C(c1cc(Cl)c(Cl)c([N+](=O)[O-])c1)N1CC[C@H](O)C1	ZINC000061712144	184184745	/nfs/dbraw/zinc/18/47/45/184184745.db2.gz	JAVDBEWNUALZSV-ZETCQYMHSA-N	0	0	305.117	2.108	10	5		DEBERN
C[NH2+][C@H](CCOc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000062595552	184244318	/nfs/dbraw/zinc/24/43/18/184244318.db2.gz	GKARQNYRLTUCQM-SECBINFHSA-N	0	0	323.132	2.343	10	5		DEBERN
C/C=C/CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000161837072	197523388	/nfs/dbraw/zinc/52/33/88/197523388.db2.gz	JJPKLGWDSLUSHH-NSCUHMNNSA-N	0	0	304.755	2.493	10	5		DEBERN
O=[N+]([O-])c1cc(F)c(Br)cc1N1CCC[C@H]1CO	ZINC000158791092	197301946	/nfs/dbraw/zinc/30/19/46/197301946.db2.gz	OZBMDAYXWQVFCN-ZETCQYMHSA-N	0	0	319.130	2.458	10	5		DEBERN
CCNC(=O)CNc1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000158098936	197243518	/nfs/dbraw/zinc/24/35/18/197243518.db2.gz	DWWCEBGGCXQEHQ-UHFFFAOYSA-N	0	0	320.118	2.044	10	5		DEBERN
CNc1ccc(C(=O)Nc2ncn(C(C)(C)C)n2)cc1[N+](=O)[O-]	ZINC000541528137	285171057	/nfs/dbraw/zinc/17/10/57/285171057.db2.gz	QGBPIRXYOWZAIE-UHFFFAOYSA-N	0	0	318.337	2.235	10	5		DEBERN
CSCC[C@H](C)N(C)C(=O)c1ccc(NN)c([N+](=O)[O-])c1	ZINC000157348714	197181282	/nfs/dbraw/zinc/18/12/82/197181282.db2.gz	CXURIYZEQHRBAZ-VIFPVBQESA-N	0	0	312.395	2.094	10	5		DEBERN
CNc1cc(S(=O)(=O)NCCC2CCC2)ccc1[N+](=O)[O-]	ZINC000157233898	197171418	/nfs/dbraw/zinc/17/14/18/197171418.db2.gz	DWXSDGSOBXURAS-UHFFFAOYSA-N	0	0	313.379	2.105	10	5		DEBERN
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N(CC1CC1)C1CC1	ZINC000157173123	197167618	/nfs/dbraw/zinc/16/76/18/197167618.db2.gz	NEADMWGOPJHHBC-UHFFFAOYSA-N	0	0	314.338	2.297	10	5		DEBERN
NNc1cccc(NC[C@@H]2CSCCS2)c1[N+](=O)[O-]	ZINC000156856181	197145707	/nfs/dbraw/zinc/14/57/07/197145707.db2.gz	VDQRACLHHUPBMR-MRVPVSSYSA-N	0	0	300.409	2.141	10	5		DEBERN
CCNc1cccc(NC[C@H]2CCCS2(=O)=O)c1[N+](=O)[O-]	ZINC000155529858	197063665	/nfs/dbraw/zinc/06/36/65/197063665.db2.gz	VLNOUIDGBNVYAE-SNVBAGLBSA-N	0	0	313.379	2.016	10	5		DEBERN
CCOc1ccc(C(=O)N2[C@H](C)CN(C)C[C@@H]2C)cc1[N+](=O)[O-]	ZINC000155508913	197061668	/nfs/dbraw/zinc/06/16/68/197061668.db2.gz	YLJBNUOYLHDKQV-TXEJJXNPSA-N	0	0	321.377	2.158	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(NCc2cccnc2-n2ccnc2)n1	ZINC000121066027	195289392	/nfs/dbraw/zinc/28/93/92/195289392.db2.gz	WWVHLDXJGPCUII-UHFFFAOYSA-N	0	0	310.317	2.491	10	5		DEBERN
CCC(C)(C)[C@H]1CCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1	ZINC000122088310	195399859	/nfs/dbraw/zinc/39/98/59/195399859.db2.gz	UQPIOPSEWYSTHG-CQSZACIVSA-N	0	0	321.377	2.184	10	5		DEBERN
O=C(NC[C@@H]1CSCCS1)c1ccc([N+](=O)[O-])c(F)c1	ZINC000122558039	195467230	/nfs/dbraw/zinc/46/72/30/195467230.db2.gz	HPOHPKULUWUTSQ-SECBINFHSA-N	0	0	316.379	2.312	10	5		DEBERN
CNc1sc(S(=O)(=O)N(C)CCC(C)C)cc1[N+](=O)[O-]	ZINC000125537142	195760749	/nfs/dbraw/zinc/76/07/49/195760749.db2.gz	JQVFEWXMLUTRDS-UHFFFAOYSA-N	0	0	321.424	2.365	10	5		DEBERN
COc1cccc(C(=O)NCc2cnc(C)s2)c1[N+](=O)[O-]	ZINC000444022459	533413137	/nfs/dbraw/zinc/41/31/37/533413137.db2.gz	QPZXWQKGKSNCQS-UHFFFAOYSA-N	0	0	307.331	2.298	10	5		DEBERN
CCn1ccnc1COc1cc(C(=O)OC)ccc1[N+](=O)[O-]	ZINC000195517456	132548634	/nfs/dbraw/zinc/54/86/34/132548634.db2.gz	YHJSNLQNYRLQNS-UHFFFAOYSA-N	0	0	305.290	2.177	10	5		DEBERN
C[C@H]1CCC[C@@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000359943350	133154389	/nfs/dbraw/zinc/15/43/89/133154389.db2.gz	YYCPIWNREDFBJP-WCQYABFASA-N	0	0	312.391	2.450	10	5		DEBERN
CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCOCC[C@@H]1C	ZINC000373403353	133389347	/nfs/dbraw/zinc/38/93/47/133389347.db2.gz	NZPSTLCSUSEYNA-NSHDSACASA-N	0	0	308.334	2.245	10	5		DEBERN
O=[N+]([O-])c1ccc(CO)cc1N1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000302025146	296504331	/nfs/dbraw/zinc/50/43/31/296504331.db2.gz	HLGJQAYOVXSTDO-CJNGLKHVSA-N	0	0	306.362	2.219	10	5		DEBERN
COc1ccc(NC(=O)N2CCO[C@H](C3CC3)C2)cc1[N+](=O)[O-]	ZINC000548599998	285761697	/nfs/dbraw/zinc/76/16/97/285761697.db2.gz	XDAFGSPCQWTUSB-AWEZNQCLSA-N	0	0	321.333	2.246	10	5		DEBERN
CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H]1CCCO1	ZINC000187829761	145003709	/nfs/dbraw/zinc/00/37/09/145003709.db2.gz	NFBXYCKXVXMKBW-ZDUSSCGKSA-N	0	0	318.333	2.256	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])o1)N1CCC(Nc2nccs2)CC1	ZINC000190377159	145041732	/nfs/dbraw/zinc/04/17/32/145041732.db2.gz	PSCWLKKMZNRGPS-UHFFFAOYSA-N	0	0	322.346	2.361	10	5		DEBERN
Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC1(CCO)CC1	ZINC000191389775	145057391	/nfs/dbraw/zinc/05/73/91/145057391.db2.gz	VOALTHGLIRDNLT-UHFFFAOYSA-N	0	0	307.350	2.496	10	5		DEBERN
Nc1ccc([N+](=O)[O-])c(NC2CCN(c3ncccn3)CC2)c1	ZINC000192778777	145078882	/nfs/dbraw/zinc/07/88/82/145078882.db2.gz	BNIANKSFOCMQRH-UHFFFAOYSA-N	0	0	314.349	2.048	10	5		DEBERN
C[C@H]1C[C@@H]1CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-]	ZINC000357307505	147084388	/nfs/dbraw/zinc/08/43/88/147084388.db2.gz	USMSDUKGAWNROS-GXTWGEPZSA-N	0	0	305.378	2.495	10	5		DEBERN
C/C=C/C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OCC	ZINC000361534100	147532435	/nfs/dbraw/zinc/53/24/35/147532435.db2.gz	URKKUXRIEGTURO-MASHWEEQSA-N	0	0	306.318	2.223	10	5		DEBERN
CCCC(=O)NCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1	ZINC000129645884	401806725	/nfs/dbraw/zinc/80/67/25/401806725.db2.gz	SQDDTIUZSYGZFK-UHFFFAOYSA-N	0	0	319.361	2.002	10	5		DEBERN
COc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2F)n1	ZINC000128598890	401784316	/nfs/dbraw/zinc/78/43/16/401784316.db2.gz	NNAGCTDUDUNYMH-UHFFFAOYSA-N	0	0	305.265	2.068	10	5		DEBERN
COCc1csc(NC(=O)c2cc([N+](=O)[O-])ccc2OC)n1	ZINC000115244360	401822256	/nfs/dbraw/zinc/82/22/56/401822256.db2.gz	FLYJTERVGLEDRV-UHFFFAOYSA-N	0	0	323.330	2.459	10	5		DEBERN
CC(C)Cn1ccnc1CNC(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000131081997	401843892	/nfs/dbraw/zinc/84/38/92/401843892.db2.gz	CXQCUMWCEYTYNH-UHFFFAOYSA-N	0	0	316.361	2.306	10	5		DEBERN
O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CCCc2n[nH]cc21	ZINC000134620437	401909134	/nfs/dbraw/zinc/90/91/34/401909134.db2.gz	MNDXBYSOJBLKQJ-NSHDSACASA-N	0	0	300.318	2.054	10	5		DEBERN
COc1cc(S(=O)(=O)N2CCCC2(C)C)ccc1[N+](=O)[O-]	ZINC000150809649	401996384	/nfs/dbraw/zinc/99/63/84/401996384.db2.gz	FZSDFCURYMFBMP-UHFFFAOYSA-N	0	0	314.363	2.167	10	5		DEBERN
CN(c1ncccc1F)S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000135572846	401946082	/nfs/dbraw/zinc/94/60/82/401946082.db2.gz	MFYNMFKSCCCMLC-UHFFFAOYSA-N	0	0	317.323	2.016	10	5		DEBERN
Cc1ccccc1[C@@H](C)NC(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000151705124	402051509	/nfs/dbraw/zinc/05/15/09/402051509.db2.gz	VRVXHMCCPWXCHK-GFCCVEGCSA-N	0	0	317.349	2.160	10	5		DEBERN
C[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccc(Cl)s1	ZINC000048644300	402004114	/nfs/dbraw/zinc/00/41/14/402004114.db2.gz	PZDZKCAVDGBGPZ-ZETCQYMHSA-N	0	0	314.754	2.384	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCOc2ccc(F)cc21	ZINC000122365617	402075127	/nfs/dbraw/zinc/07/51/27/402075127.db2.gz	FZNKXIXAJPGSMI-UHFFFAOYSA-N	0	0	317.276	2.477	10	5		DEBERN
Cc1cc(=O)n(CC(=O)c2c[nH]c3ccccc23)cc1[N+](=O)[O-]	ZINC000096548171	402098739	/nfs/dbraw/zinc/09/87/39/402098739.db2.gz	LBNJMJBLLOCUCF-UHFFFAOYSA-N	0	0	311.297	2.429	10	5		DEBERN
NC(=O)[C@@H]1Cc2ccccc2N1CCc1ccc([N+](=O)[O-])cc1	ZINC000101547535	402146764	/nfs/dbraw/zinc/14/67/64/402146764.db2.gz	MXNCECQOPLPWSY-INIZCTEOSA-N	0	0	311.341	2.054	10	5		DEBERN
O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCN2CCCC[C@H]2C1	ZINC000124959472	402205343	/nfs/dbraw/zinc/20/53/43/402205343.db2.gz	CSFFCPQAKUDCAI-LBPRGKRZSA-N	0	0	307.325	2.044	10	5		DEBERN
CC(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2C)C(C)(C)C1	ZINC000184728126	402295610	/nfs/dbraw/zinc/29/56/10/402295610.db2.gz	ZUSZIBIXMRABFO-UHFFFAOYSA-N	0	0	305.378	2.346	10	5		DEBERN
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)[C@@H](C)CO	ZINC000184872036	402306130	/nfs/dbraw/zinc/30/61/30/402306130.db2.gz	NEQNICWSAXVHKM-SGMGOOAPSA-N	0	0	308.378	2.297	10	5		DEBERN
Cc1ccc([C@H](C)OC(=O)C(=O)c2cnn(C)c2)cc1[N+](=O)[O-]	ZINC000176939154	402352249	/nfs/dbraw/zinc/35/22/49/402352249.db2.gz	YMCQKGUIGPNVNG-JTQLQIEISA-N	0	0	317.301	2.124	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)NC2Cc3ccccc3C2)s1	ZINC000186378748	402426690	/nfs/dbraw/zinc/42/66/90/402426690.db2.gz	HRQMMWYXMCRXKP-UHFFFAOYSA-N	0	0	324.383	2.102	10	5		DEBERN
CC[C@H]1CN(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CCO1	ZINC000177809722	402438459	/nfs/dbraw/zinc/43/84/59/402438459.db2.gz	JECJNIRLXKGURP-LBPRGKRZSA-N	0	0	308.334	2.305	10	5		DEBERN
COC(=O)c1cc(N2CCCO[C@@H](C)C2)cc(C)c1[N+](=O)[O-]	ZINC000177824556	402439465	/nfs/dbraw/zinc/43/94/65/402439465.db2.gz	BVPRWLZDIJHHJT-NSHDSACASA-N	0	0	308.334	2.305	10	5		DEBERN
Cc1nc(N[C@H]2CCCN(c3ncccn3)C2)ccc1[N+](=O)[O-]	ZINC000178019850	402453348	/nfs/dbraw/zinc/45/33/48/402453348.db2.gz	JDOZVVOIBWOTIZ-LBPRGKRZSA-N	0	0	314.349	2.169	10	5		DEBERN
CCO[C@H]1C[C@H](N(C)C(=O)c2n[nH]cc2[N+](=O)[O-])C12CCCC2	ZINC000163794415	402457941	/nfs/dbraw/zinc/45/79/41/402457941.db2.gz	XORFJHUELLFOOW-RYUDHWBXSA-N	0	0	322.365	2.128	10	5		DEBERN
CC[C@@H](NC(=O)Cc1cncn1C)c1cccc([N+](=O)[O-])c1	ZINC000187169265	402486646	/nfs/dbraw/zinc/48/66/46/402486646.db2.gz	AUZROEDAVZWETD-CQSZACIVSA-N	0	0	302.334	2.138	10	5		DEBERN
Cc1c(NC(=O)[C@@H](C)N(C)C[C@H]2CCCO2)cccc1[N+](=O)[O-]	ZINC000246156308	402513993	/nfs/dbraw/zinc/51/39/93/402513993.db2.gz	UWVGOBWWYZQXNR-CHWSQXEVSA-N	0	0	321.377	2.341	10	5		DEBERN
O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1Cc2ccccc2[C@H]1O	ZINC000170993108	402547665	/nfs/dbraw/zinc/54/76/65/402547665.db2.gz	YKLAIQDHMXOTLV-LSDHHAIUSA-N	0	0	313.313	2.375	10	5		DEBERN
CCC[C@@]1(C)C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000189817240	402560465	/nfs/dbraw/zinc/56/04/65/402560465.db2.gz	UQMSVUURXNASGJ-INIZCTEOSA-N	0	0	319.361	2.034	10	5		DEBERN
C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1	ZINC000189901113	402565996	/nfs/dbraw/zinc/56/59/96/402565996.db2.gz	YYLDSJVZZRBHGY-KBPBESRZSA-N	0	0	321.421	2.433	10	5		DEBERN
CC[C@@H](NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)C(=O)OC	ZINC000190054805	402573242	/nfs/dbraw/zinc/57/32/42/402573242.db2.gz	VZUPVCYSXHJQGL-GFCCVEGCSA-N	0	0	308.334	2.400	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1C(=O)NCCCc1ccccn1	ZINC000178627108	402518942	/nfs/dbraw/zinc/51/89/42/402518942.db2.gz	DSPNKIFQJSYJDN-UHFFFAOYSA-N	0	0	315.329	2.361	10	5		DEBERN
C[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)N1CCCCC1=O	ZINC000190290930	402590551	/nfs/dbraw/zinc/59/05/51/402590551.db2.gz	DGZAKWDKXZJHGK-SECBINFHSA-N	0	0	312.757	2.456	10	5		DEBERN
C[C@H](NC(=O)N(C)CC1CC(O)C1)c1cccc([N+](=O)[O-])c1	ZINC000190354705	402594223	/nfs/dbraw/zinc/59/42/23/402594223.db2.gz	ABMJPEBHUDCRBI-IFQILLTASA-N	0	0	307.350	2.068	10	5		DEBERN
COC(=O)[C@@H](NC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1)C(C)C	ZINC000182274318	402677823	/nfs/dbraw/zinc/67/78/23/402677823.db2.gz	NNBZFGDJOZZEJI-MARXPDLDSA-N	0	0	320.345	2.312	10	5		DEBERN
CCOC(=O)[C@@H](C)CNC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1	ZINC000183060658	402736167	/nfs/dbraw/zinc/73/61/67/402736167.db2.gz	XIIYJOAUZFPBCP-ZKQHCESOSA-N	0	0	320.345	2.314	10	5		DEBERN
CS[C@H](CO)[C@@H](C)NC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1	ZINC000183296388	402753917	/nfs/dbraw/zinc/75/39/17/402753917.db2.gz	XGXZHTJOVMPSPD-BBGYYPMSSA-N	0	0	324.402	2.227	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCC[C@@H]1O	ZINC000183338228	402758109	/nfs/dbraw/zinc/75/81/09/402758109.db2.gz	JNMUGIYSQUUULG-UNNWNWIUSA-N	0	0	304.346	2.418	10	5		DEBERN
CCCn1nccc1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000183380125	402761359	/nfs/dbraw/zinc/76/13/59/402761359.db2.gz	USVMBRUBRVNVRF-UHFFFAOYSA-N	0	0	324.362	2.143	10	5		DEBERN
O=C(Nc1ccncc1[N+](=O)[O-])N1CC[C@]2(O)CCCC[C@H]2C1	ZINC000183624521	402782884	/nfs/dbraw/zinc/78/28/84/402782884.db2.gz	OEBZBPHEDZNSRD-XHDPSFHLSA-N	0	0	320.349	2.149	10	5		DEBERN
COC(=O)CCC(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21	ZINC000183693238	402789112	/nfs/dbraw/zinc/78/91/12/402789112.db2.gz	FPVVHVRPRMXCLB-UHFFFAOYSA-N	0	0	317.301	2.343	10	5		DEBERN
COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2COc3ccccc32)c1	ZINC000194867686	402820198	/nfs/dbraw/zinc/82/01/98/402820198.db2.gz	LFIDOVDMNVOCTI-CYBMUJFWSA-N	0	0	314.297	2.467	10	5		DEBERN
COCCc1cc(NC(=O)c2c(C)cccc2[N+](=O)[O-])n(C)n1	ZINC000194879348	402820752	/nfs/dbraw/zinc/82/07/52/402820752.db2.gz	PNWZDOIFYGPEQO-UHFFFAOYSA-N	0	0	318.333	2.078	10	5		DEBERN
CCOc1cccc(NC[C@]2(CCO)CCOC2)c1[N+](=O)[O-]	ZINC000184136178	402820959	/nfs/dbraw/zinc/82/09/59/402820959.db2.gz	NQNGYXBVHHKQLT-HNNXBMFYSA-N	0	0	310.350	2.195	10	5		DEBERN
CCOc1c(F)cccc1C(=O)Nc1c([N+](=O)[O-])cnn1C	ZINC000184406702	402841556	/nfs/dbraw/zinc/84/15/56/402841556.db2.gz	SJIADHKUBFRGCU-UHFFFAOYSA-N	0	0	308.269	2.118	10	5		DEBERN
Cc1csc([C@@H]2CN(c3ccc([N+](=O)[O-])cn3)CCO2)n1	ZINC000195313646	402841654	/nfs/dbraw/zinc/84/16/54/402841654.db2.gz	BAYAGUVGGPHVQY-NSHDSACASA-N	0	0	306.347	2.333	10	5		DEBERN
Cc1cccc([N+](=O)[O-])c1N1C[C@@H](C)[C@@H](N2CCOCC2)C1	ZINC000267518348	403039196	/nfs/dbraw/zinc/03/91/96/403039196.db2.gz	FCUZOOIEHAREGI-HIFRSBDPSA-N	0	0	305.378	2.060	10	5		DEBERN
Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C(F)(F)F)C2(C)C)n1	ZINC000276142491	403148567	/nfs/dbraw/zinc/14/85/67/403148567.db2.gz	BRKQHTRZBOYRRC-QMMMGPOBSA-N	0	0	320.271	2.131	10	5		DEBERN
CC[C@H]1CN(c2nccc(C)c2[N+](=O)[O-])CCN1CC(F)F	ZINC000270779781	403223591	/nfs/dbraw/zinc/22/35/91/403223591.db2.gz	JCNWKYLEYFXQGQ-NSHDSACASA-N	0	0	314.336	2.464	10	5		DEBERN
CC1(CNc2c(Br)cncc2[N+](=O)[O-])COC1	ZINC000270888263	403235868	/nfs/dbraw/zinc/23/58/68/403235868.db2.gz	FXYNJVJJOUJADS-UHFFFAOYSA-N	0	0	302.128	2.201	10	5		DEBERN
C[C@@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C[C@@H](C)O1	ZINC000283397883	403194720	/nfs/dbraw/zinc/19/47/20/403194720.db2.gz	FFDJVPKTRWKFES-GHMZBOCLSA-N	0	0	317.349	2.004	10	5		DEBERN
COc1cc(N2CC[C@](O)(C(F)(F)F)C2)c(F)cc1[N+](=O)[O-]	ZINC000271090724	403263327	/nfs/dbraw/zinc/26/33/27/403263327.db2.gz	KVRHIMXVRWMHLZ-LLVKDONJSA-N	0	0	324.230	2.246	10	5		DEBERN
CC(=O)c1cc(N[C@@H](CO)C[C@@H](O)C(C)(C)C)ccc1[N+](=O)[O-]	ZINC000286395065	403516439	/nfs/dbraw/zinc/51/64/39/403516439.db2.gz	JLQCIBXOKMVIQJ-IUODEOHRSA-N	0	0	324.377	2.367	10	5		DEBERN
Cc1cc(C[C@H](C)NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)[nH]n1	ZINC000567041923	292284498	/nfs/dbraw/zinc/28/44/98/292284498.db2.gz	DKAXERWJKOXNQZ-JQWIXIFHSA-N	0	0	316.361	2.477	10	5		DEBERN
CCc1c[nH]c(Sc2nc3ccccn3c(=O)c2[N+](=O)[O-])n1	ZINC000301692531	403665763	/nfs/dbraw/zinc/66/57/63/403665763.db2.gz	YJAVTHORFYIBEW-UHFFFAOYSA-N	0	0	317.330	2.039	10	5		DEBERN
O=C(Nc1cncc(Br)c1)c1ccc([N+](=O)[O-])[nH]1	ZINC000301705733	403667672	/nfs/dbraw/zinc/66/76/72/403667672.db2.gz	MKWRTOMNXFNHHF-UHFFFAOYSA-N	0	0	311.095	2.333	10	5		DEBERN
O=[N+]([O-])c1cnc(NC[C@@H](CO)Cc2ccccn2)c(Cl)c1	ZINC000301579826	403650532	/nfs/dbraw/zinc/65/05/32/403650532.db2.gz	UJAAFMDNKPTBIP-JTQLQIEISA-N	0	0	322.752	2.301	10	5		DEBERN
Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCN(CCO)[C@@H](C)C1	ZINC000302803207	403728724	/nfs/dbraw/zinc/72/87/24/403728724.db2.gz	DJSBREBHIIDOKG-NSHDSACASA-N	0	0	313.785	2.059	10	5		DEBERN
CO[C@@H]1C[C@H](CO)N(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C1	ZINC000343778045	403729311	/nfs/dbraw/zinc/72/93/11/403729311.db2.gz	OQMZHBMDQSYYNQ-CHWSQXEVSA-N	0	0	324.377	2.358	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCCCO2)c1C	ZINC000408286967	292291187	/nfs/dbraw/zinc/29/11/87/292291187.db2.gz	OIGGIXBFYHWHMC-UHFFFAOYSA-N	0	0	314.363	2.318	10	5		DEBERN
COc1ccc([N+](=O)[O-])c(I)c1OC	ZINC000307529610	403954074	/nfs/dbraw/zinc/95/40/74/403954074.db2.gz	MBMJGCDGYUTNGU-UHFFFAOYSA-N	0	0	309.059	2.217	10	5		DEBERN
CC1(C)CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC2(CCCC2)O1	ZINC000408305071	405167636	/nfs/dbraw/zinc/16/76/36/405167636.db2.gz	GTEQSTYHMUVVPH-UHFFFAOYSA-N	0	0	307.350	2.487	10	5		DEBERN
Cc1c(F)cc(S(=O)(=O)N2CCCCCO2)cc1[N+](=O)[O-]	ZINC000408284728	405161823	/nfs/dbraw/zinc/16/18/23/405161823.db2.gz	ALIDIWWZWGFDQC-UHFFFAOYSA-N	0	0	318.326	2.149	10	5		DEBERN
CC[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)[C@H](CC)CN1C(C)=O	ZINC000450365055	405858224	/nfs/dbraw/zinc/85/82/24/405858224.db2.gz	MWERSPJVZNZUCL-CHWSQXEVSA-N	0	0	306.366	2.216	10	5		DEBERN
CCOc1cccc(CN(CCO)c2ccc([N+](=O)[O-])nc2)c1	ZINC000450939362	405992365	/nfs/dbraw/zinc/99/23/65/405992365.db2.gz	LFXLJKDFEOJRQZ-UHFFFAOYSA-N	0	0	317.345	2.387	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@H](CO)[C@@H]1C	ZINC000488941728	406362895	/nfs/dbraw/zinc/36/28/95/406362895.db2.gz	SYQYNYTXAPTPIM-RYUDHWBXSA-N	0	0	307.350	2.446	10	5		DEBERN
CCOC(=O)Cc1cc(Br)c([N+](=O)[O-])cc1OC	ZINC000575700232	406820648	/nfs/dbraw/zinc/82/06/48/406820648.db2.gz	QGIJWVLMCGNMEI-UHFFFAOYSA-N	0	0	318.123	2.472	10	5		DEBERN
Cc1nn(C(C)C)c(N[C@H](C)CC[S@](C)=O)c1[N+](=O)[O-]	ZINC000128834016	195995386	/nfs/dbraw/zinc/99/53/86/195995386.db2.gz	FSMUDNFAQUUNPP-GSDQLPOLSA-N	0	0	302.400	2.250	10	5		DEBERN
CCCN(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131159925	196145911	/nfs/dbraw/zinc/14/59/11/196145911.db2.gz	ALGCMCUMOBHXFS-UHFFFAOYSA-N	0	0	302.327	2.297	10	5		DEBERN
CNc1cc(S(=O)(=O)N2CCCC[C@@H]2C)ccc1[N+](=O)[O-]	ZINC000131709720	196193013	/nfs/dbraw/zinc/19/30/13/196193013.db2.gz	ZXCWSXKNSXAFTR-JTQLQIEISA-N	0	0	313.379	2.200	10	5		DEBERN
CNc1cc(S(=O)(=O)NCC2CCCC2)ccc1[N+](=O)[O-]	ZINC000131913809	196210016	/nfs/dbraw/zinc/21/00/16/196210016.db2.gz	JNZDLHFQTSILBU-UHFFFAOYSA-N	0	0	313.379	2.105	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@H](C)C1	ZINC000132075838	196223797	/nfs/dbraw/zinc/22/37/97/196223797.db2.gz	KKBWVLSFSODCOL-UWVGGRQHSA-N	0	0	314.363	2.070	10	5		DEBERN
CCCC[C@@H](C(=O)OC)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000132508967	196261222	/nfs/dbraw/zinc/26/12/22/196261222.db2.gz	CFRWWGMVAMSPRU-LBPRGKRZSA-N	0	0	315.347	2.100	10	5		DEBERN
CC[C@@H](C)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1	ZINC000132858551	196290496	/nfs/dbraw/zinc/29/04/96/196290496.db2.gz	IVVHXFAZFSRYKE-ZJUUUORDSA-N	0	0	315.395	2.280	10	5		DEBERN
CC1(C)CCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1	ZINC000132944080	196298632	/nfs/dbraw/zinc/29/86/32/196298632.db2.gz	XQCQKLYRUHHCJO-LBPRGKRZSA-N	0	0	313.379	2.034	10	5		DEBERN
C[C@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl)[S@](C)=O	ZINC000134012699	196352948	/nfs/dbraw/zinc/35/29/48/196352948.db2.gz	MTOGMYZPSQWEQZ-ZPWHCFADSA-N	0	0	318.782	2.135	10	5		DEBERN
C[C@@H]1CN(C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CCS1	ZINC000137153901	196567507	/nfs/dbraw/zinc/56/75/07/196567507.db2.gz	AWEPENUIXGGNGY-SSDOTTSWSA-N	0	0	302.302	2.451	10	5		DEBERN
Cc1ccc([C@@H](C)NC(=O)NCC2(CCO)CC2)cc1[N+](=O)[O-]	ZINC000187443970	224989125	/nfs/dbraw/zinc/98/91/25/224989125.db2.gz	PYPVIOBVSJYNNH-GFCCVEGCSA-N	0	0	321.377	2.426	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N(C)c2ccc(OC)c(F)c2)n1	ZINC000191667593	225115088	/nfs/dbraw/zinc/11/50/88/225115088.db2.gz	CQQUZRZXAVDVTC-UHFFFAOYSA-N	0	0	322.296	2.236	10	5		DEBERN
Cc1ccc(Oc2ccc(C(=O)NCCO)cc2)c([N+](=O)[O-])c1	ZINC000301814825	229912610	/nfs/dbraw/zinc/91/26/10/229912610.db2.gz	IJMPWOKUYQAZQD-UHFFFAOYSA-N	0	0	316.313	2.418	10	5		DEBERN
O=[N+]([O-])c1cnc2ccc(NCCC[C@H]3CCCC[C@@H]3O)nn21	ZINC000301953635	230001110	/nfs/dbraw/zinc/00/11/10/230001110.db2.gz	JYUKQISOVFOCKL-NEPJUHHUSA-N	0	0	319.365	2.381	10	5		DEBERN
Cc1ccc([C@@](C)(O)CNc2cc(CO)ccc2[N+](=O)[O-])o1	ZINC000302037223	230054613	/nfs/dbraw/zinc/05/46/13/230054613.db2.gz	MJXGGCIKBMIRHR-HNNXBMFYSA-N	0	0	306.318	2.308	10	5		DEBERN
O=[N+]([O-])c1cnc2ccc(NCCc3ccc4[nH]ccc4c3)nn21	ZINC000440565931	425041362	/nfs/dbraw/zinc/04/13/62/425041362.db2.gz	SRYLWYDCVCXNLN-UHFFFAOYSA-N	0	0	322.328	2.773	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C(F)(F)F)C2)n1	ZINC000191476685	267724895	/nfs/dbraw/zinc/72/48/95/267724895.db2.gz	REOWACOMMWPYSR-QMMMGPOBSA-N	0	0	320.271	2.226	10	5		DEBERN
Cc1cccn2c(=O)c(C(=O)Nc3ccc([N+](=O)[O-])cc3)cnc12	ZINC000091189821	274812183	/nfs/dbraw/zinc/81/21/83/274812183.db2.gz	FVGHPHHCXWOLQO-UHFFFAOYSA-N	0	0	324.296	2.163	10	5		DEBERN
CCCC(=O)N[C@@H]1CCCN(c2cc(N)ccc2[N+](=O)[O-])C1	ZINC000193404918	276223903	/nfs/dbraw/zinc/22/39/03/276223903.db2.gz	TUPTWRKOXANPDA-GFCCVEGCSA-N	0	0	306.366	2.062	10	5		DEBERN
C[C@@H]1CN(C)C[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000155693051	278706372	/nfs/dbraw/zinc/70/63/72/278706372.db2.gz	ABWRREUIUOZWOU-NXEZZACHSA-N	0	0	311.769	2.413	10	5		DEBERN
Nc1nnc(Sc2c3ccccc3oc(=O)c2[N+](=O)[O-])s1	ZINC000057341269	279712438	/nfs/dbraw/zinc/71/24/38/279712438.db2.gz	OFLINNSTHJEKDT-UHFFFAOYSA-N	0	0	322.327	2.286	10	5		DEBERN
Cc1c(NC(=O)C(=O)N2CCCC2(C)C)cccc1[N+](=O)[O-]	ZINC000170848407	280240078	/nfs/dbraw/zinc/24/00/78/280240078.db2.gz	LFHNXPXASWYLFR-UHFFFAOYSA-N	0	0	305.334	2.243	10	5		DEBERN
O=[N+]([O-])c1cnc(I)cc1OC1CC1	ZINC000095735747	280378233	/nfs/dbraw/zinc/37/82/33/280378233.db2.gz	BZKVLFDWRIGWQY-UHFFFAOYSA-N	0	0	306.059	2.136	10	5		DEBERN
CCc1n[nH]c(C(=O)N(CC)[C@@H](C)c2cccnc2)c1[N+](=O)[O-]	ZINC000192582113	281362315	/nfs/dbraw/zinc/36/23/15/281362315.db2.gz	YIUUBDISPJKTJF-JTQLQIEISA-N	0	0	317.349	2.499	10	5		DEBERN
COc1ccc(S(=O)(=O)N2CCCC2(C)C)c([N+](=O)[O-])c1	ZINC000077395032	295187850	/nfs/dbraw/zinc/18/78/50/295187850.db2.gz	NFSWADPPPCOWHF-UHFFFAOYSA-N	0	0	314.363	2.167	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C(N)=O)CC[C@@H]1C	ZINC000119153114	301862986	/nfs/dbraw/zinc/86/29/86/301862986.db2.gz	KQMJXZOMZCUZJI-WDEREUQCSA-N	0	0	320.349	2.021	10	5		DEBERN
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)C(C)C	ZINC000172665708	325732657	/nfs/dbraw/zinc/73/26/57/325732657.db2.gz	RTCLWZNFANJTBU-SNVBAGLBSA-N	0	0	316.379	2.174	10	5		DEBERN
CO[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[C@@H]1C	ZINC000187450299	332968896	/nfs/dbraw/zinc/96/88/96/332968896.db2.gz	VRDUOFRJIZDHRT-SMDDNHRTSA-N	0	0	307.350	2.161	10	5		DEBERN
C[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccncc1	ZINC000611528722	500881937	/nfs/dbraw/zinc/88/19/37/500881937.db2.gz	UFDWSEHWPVTSDH-JTQLQIEISA-N	0	0	300.318	2.106	10	5		DEBERN
COc1ccc(F)cc1CNC(=O)Nc1ccncc1[N+](=O)[O-]	ZINC000189258692	533942960	/nfs/dbraw/zinc/94/29/60/533942960.db2.gz	OPOMZBQQHJBCAU-UHFFFAOYSA-N	0	0	320.280	2.459	10	5		DEBERN
COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]1C	ZINC000132237313	521781774	/nfs/dbraw/zinc/78/17/74/521781774.db2.gz	RHUUFYFITZFABA-BXKDBHETSA-N	0	0	310.375	2.472	10	5		DEBERN
COC(=O)c1cc(NCc2ccc(OC)nc2)ccc1[N+](=O)[O-]	ZINC000247892044	521895157	/nfs/dbraw/zinc/89/51/57/521895157.db2.gz	MYRDQAKGCDGVHG-UHFFFAOYSA-N	0	0	317.301	2.397	10	5		DEBERN
CC(C)[C@H](C)NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000298124829	528966381	/nfs/dbraw/zinc/96/63/81/528966381.db2.gz	BCKLJNHZPZXWJR-ZDUSSCGKSA-N	0	0	320.393	2.471	10	5		DEBERN
Cc1nn(CN2CCC[C@@H]2Cn2ccnc2C)c(C)c1[N+](=O)[O-]	ZINC000176076936	624617391	/nfs/dbraw/zinc/61/73/91/624617391.db2.gz	BSMSBEHGPXKDHQ-CQSZACIVSA-N	0	0	318.381	2.035	10	5		DEBERN
Cc1ccccc1SCC(=O)OCCn1cc([N+](=O)[O-])cn1	ZINC000177736644	625074227	/nfs/dbraw/zinc/07/42/27/625074227.db2.gz	DJXCBOZEVFQZQS-UHFFFAOYSA-N	0	0	321.358	2.435	10	5		DEBERN
Cc1ccc(CC(=O)OCCn2c(C)ncc2[N+](=O)[O-])s1	ZINC000066518356	625122317	/nfs/dbraw/zinc/12/23/17/625122317.db2.gz	TVFGZKBSJZXQCH-UHFFFAOYSA-N	0	0	309.347	2.256	10	5		DEBERN
Cc1ncc([N+](=O)[O-])n1CCOC(=O)CSCCC(C)C	ZINC000066518376	625122394	/nfs/dbraw/zinc/12/23/94/625122394.db2.gz	YVBOOYGDGXWLGG-UHFFFAOYSA-N	0	0	315.395	2.422	10	5		DEBERN
O=[N+]([O-])c1ccc(NCCS(=O)(=O)Cc2ccccc2)cn1	ZINC000735487338	633512406	/nfs/dbraw/zinc/51/24/06/633512406.db2.gz	UAVYFRSKBUVORV-UHFFFAOYSA-N	0	0	321.358	2.017	10	5		DEBERN
C[C@@H](OC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccc([N+](=O)[O-])cc1	ZINC000066876927	633734764	/nfs/dbraw/zinc/73/47/64/633734764.db2.gz	FSJGOUZHSKGWCB-SECBINFHSA-N	0	0	320.261	2.004	10	5		DEBERN
CCOC(=O)[C@@H](CC1CC1)NC(=O)c1cccc([N+](=O)[O-])c1C	ZINC000752380999	639177755	/nfs/dbraw/zinc/17/77/55/639177755.db2.gz	ATIRKCBTTGKIBH-CYBMUJFWSA-N	0	0	320.345	2.365	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H]1CC(=O)N(C)[C@H]1C	ZINC000806068590	644495905	/nfs/dbraw/zinc/49/59/05/644495905.db2.gz	MXJKQAZDNIKEQE-QGGJYJPNSA-N	0	0	318.329	2.161	10	5		DEBERN
CNc1ccc(C(=O)Oc2c(C)nn(C)c2C)cc1[N+](=O)[O-]	ZINC000800437842	645272279	/nfs/dbraw/zinc/27/22/79/645272279.db2.gz	SPJBPZVVKSIBBC-UHFFFAOYSA-N	0	0	304.306	2.206	10	5		DEBERN
O=[N+]([O-])c1ccc2oc(CN3CCO[C@H](C(F)F)C3)nc2c1	ZINC000801565145	645417269	/nfs/dbraw/zinc/41/72/69/645417269.db2.gz	CDUQSGHYDZHKFU-NSHDSACASA-N	0	0	313.260	2.202	10	5		DEBERN
COC1CC(Nc2ncc(Br)cc2[N+](=O)[O-])C1	ZINC000230593586	646740088	/nfs/dbraw/zinc/74/00/88/646740088.db2.gz	KDBRETUZLVXIIV-UHFFFAOYSA-N	0	0	302.128	2.342	10	5		DEBERN
Cc1nc(CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)no1	ZINC000174451000	646809934	/nfs/dbraw/zinc/80/99/34/646809934.db2.gz	MZQWYHSPDQMJHG-UHFFFAOYSA-N	0	0	311.685	2.261	10	5		DEBERN
CC/C=C\COC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000732498136	647608057	/nfs/dbraw/zinc/60/80/57/647608057.db2.gz	YBZPHYZDRAXYPD-DLRQAJBASA-N	0	0	322.317	2.302	10	5		DEBERN
COc1cc(OCC(=O)O[C@H](C)C(F)(F)F)ccc1[N+](=O)[O-]	ZINC000174949384	648327782	/nfs/dbraw/zinc/32/77/82/648327782.db2.gz	WOBCBIONVFUJKG-SSDOTTSWSA-N	0	0	323.223	2.476	10	5		DEBERN
CC(C)C(=O)N1CCC[C@@H]1C(=O)Oc1cccc([N+](=O)[O-])c1	ZINC000077530137	683953293	/nfs/dbraw/zinc/95/32/93/683953293.db2.gz	TXIKZQICOCPNRR-CYBMUJFWSA-N	0	0	306.318	2.147	10	5		DEBERN
CCC1(COC(=O)CCNc2ccccc2[N+](=O)[O-])COC1	ZINC000084850569	684006541	/nfs/dbraw/zinc/00/65/41/684006541.db2.gz	GFOISYBSAASIKK-UHFFFAOYSA-N	0	0	308.334	2.367	10	5		DEBERN
CC(=O)c1cnc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)s1	ZINC000125269689	684144050	/nfs/dbraw/zinc/14/40/50/684144050.db2.gz	GVDWCXYNFWIWAP-UHFFFAOYSA-N	0	0	306.303	2.088	10	5		DEBERN
COC[C@H](OC(=O)CCNc1ccccc1[N+](=O)[O-])C1CC1	ZINC000132375164	684208309	/nfs/dbraw/zinc/20/83/09/684208309.db2.gz	CPGQXYYNIXNRBI-AWEZNQCLSA-N	0	0	308.334	2.365	10	5		DEBERN
CC(=O)CCN(C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000135190588	684233241	/nfs/dbraw/zinc/23/32/41/684233241.db2.gz	FAZVTWNGIBCOHF-UHFFFAOYSA-N	0	0	303.318	2.056	10	5		DEBERN
C[C@@H](OC[C@@H]1CCCO1)C(=O)OCc1csc([N+](=O)[O-])c1	ZINC000253386797	685196336	/nfs/dbraw/zinc/19/63/36/685196336.db2.gz	YBEIWYDHYBKSGT-KOLCDFICSA-N	0	0	315.347	2.284	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCn1cccn1	ZINC000588444634	777199083	/nfs/dbraw/zinc/19/90/83/777199083.db2.gz	HKHSEVAAQRAQHY-VAWYXSNFSA-N	0	0	300.318	2.011	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCC[C@@H]1O	ZINC000588446958	777203208	/nfs/dbraw/zinc/20/32/08/777203208.db2.gz	JNMUGIYSQUUULG-HIZYVFIXSA-N	0	0	304.346	2.418	10	5		DEBERN
CC[C@H](NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1)C(=O)OC	ZINC000588446711	777203240	/nfs/dbraw/zinc/20/32/40/777203240.db2.gz	FAVAXPUAVHZACZ-XPSMFNQNSA-N	0	0	306.318	2.066	10	5		DEBERN
Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1cnc(Cl)s1	ZINC000718872507	1088676163	/nfs/dbraw/zinc/67/61/63/1088676163.db2.gz	WJCNQOOYMYMYLR-UHFFFAOYSA-N	0	0	312.738	2.217	10	5		DEBERN
O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H](Oc2cccnc2)C1	ZINC000135800214	282081616	/nfs/dbraw/zinc/08/16/16/282081616.db2.gz	QODZGMUMDWRHQS-HNNXBMFYSA-N	0	0	313.313	2.283	10	5		DEBERN
Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@@H]([C@@]1(C)CO1)O3	ZINC000095630290	185382889	/nfs/dbraw/zinc/38/28/89/185382889.db2.gz	YXQGLAPCZDYVLL-HNAYVOBHSA-N	0	0	323.348	2.490	10	5	endogenous,in-man	DEBERN
Cc1cc([N+](=O)[O-])cn(CC(=O)Nc2ccc(Cl)cc2)c1=O	ZINC000096778094	185387213	/nfs/dbraw/zinc/38/72/13/185387213.db2.gz	RYLGOJQPQSJDMB-UHFFFAOYSA-N	0	0	321.720	2.357	10	5		DEBERN
CC[C@H](C)C[C@@H](C)NS(=O)(=O)c1cc(N)ccc1[N+](=O)[O-]	ZINC000088311765	185245288	/nfs/dbraw/zinc/24/52/88/185245288.db2.gz	SJZKBDKFHGNRJH-VHSXEESVSA-N	0	0	315.395	2.280	10	5		DEBERN
Cc1ccc([C@H](C)NC(=O)NC[C@@H](O)C(C)C)cc1[N+](=O)[O-]	ZINC000176749138	282200836	/nfs/dbraw/zinc/20/08/36/282200836.db2.gz	IMPOQVGVUNQFBV-SMDDNHRTSA-N	0	0	309.366	2.280	10	5		DEBERN
CC[C@H](NC(=O)[C@H](C)CC(=O)OC)c1cccc([N+](=O)[O-])c1	ZINC000090466323	185297875	/nfs/dbraw/zinc/29/78/75/185297875.db2.gz	CLDNUAMTXFPKHN-MFKMUULPSA-N	0	0	308.334	2.361	10	5		DEBERN
O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CCCc2cc(F)ccc21	ZINC000179452541	282226350	/nfs/dbraw/zinc/22/63/50/282226350.db2.gz	QYSNTFXUZKAEMU-CQSZACIVSA-N	0	0	318.308	2.124	10	5		DEBERN
CCN(CC(F)F)S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C	ZINC000186453780	282277063	/nfs/dbraw/zinc/27/70/63/282277063.db2.gz	JYQJVBWHBTUBPJ-UHFFFAOYSA-N	0	0	322.333	2.487	10	5		DEBERN
CCOC(=O)c1cncnc1Nc1ccc([N+](=O)[O-])cc1OC	ZINC000170546322	197779034	/nfs/dbraw/zinc/77/90/34/197779034.db2.gz	UAGDMCGXINVWRF-UHFFFAOYSA-N	0	0	318.289	2.314	10	5		DEBERN
COc1nc(Cl)nc(Oc2ccc([N+](=O)[O-])cc2OC)n1	ZINC000061514311	190694153	/nfs/dbraw/zinc/69/41/53/190694153.db2.gz	XHQYOYVRFSPLDW-UHFFFAOYSA-N	0	0	312.669	2.243	10	5		DEBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21	ZINC000248417403	282508026	/nfs/dbraw/zinc/50/80/26/282508026.db2.gz	JKZOXRUHUBINJZ-CYZMBNFOSA-N	0	0	306.366	2.137	10	5		DEBERN
CC[C@@H](CC1CC1)NS(=O)(=O)c1cccc(N)c1[N+](=O)[O-]	ZINC000127013628	185913075	/nfs/dbraw/zinc/91/30/75/185913075.db2.gz	RGMDDXXVFFBBOL-JTQLQIEISA-N	0	0	313.379	2.034	10	5		DEBERN
O=C(NC[C@](O)(c1ccccc1)C1CC1)c1ccc([N+](=O)[O-])o1	ZINC000070966176	190927086	/nfs/dbraw/zinc/92/70/86/190927086.db2.gz	XMTRRDYTWBIVGQ-INIZCTEOSA-N	0	0	316.313	2.215	10	5		DEBERN
CCCN(CCC(=O)OCC)C(=O)c1cccc([N+](=O)[O-])c1	ZINC000071640391	190996109	/nfs/dbraw/zinc/99/61/09/190996109.db2.gz	FMYZJVLGFQOZHV-UHFFFAOYSA-N	0	0	308.334	2.400	10	5		DEBERN
O=C(NCCCc1ncc[nH]1)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000141270948	186028993	/nfs/dbraw/zinc/02/89/93/186028993.db2.gz	OQYYDCUEFNNICA-UHFFFAOYSA-N	0	0	308.725	2.334	10	5		DEBERN
O=C(Nc1ccncc1Br)c1ccc([N+](=O)[O-])[nH]1	ZINC000147660214	186040956	/nfs/dbraw/zinc/04/09/56/186040956.db2.gz	SHWFNIHPQXVKKZ-UHFFFAOYSA-N	0	0	311.095	2.333	10	5		DEBERN
CC(C)(C)ONS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000148799681	186046277	/nfs/dbraw/zinc/04/62/77/186046277.db2.gz	QGMOCYNWIBCBKE-UHFFFAOYSA-N	0	0	308.743	2.257	10	5		DEBERN
CCc1ccc(C(=O)N2[C@H](C)CN(C)C[C@H]2C)cc1[N+](=O)[O-]	ZINC000155708511	186105139	/nfs/dbraw/zinc/10/51/39/186105139.db2.gz	LAVKZBDVKLOWGX-VXGBXAGGSA-N	0	0	305.378	2.322	10	5		DEBERN
CCC1(CC)CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[S@@]1=O	ZINC000183870980	186225706	/nfs/dbraw/zinc/22/57/06/186225706.db2.gz	JLVZWRLUZJUNNZ-QFIPXVFZSA-N	0	0	324.402	2.358	10	5		DEBERN
CO[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[C@@H]1C	ZINC000188029748	186246247	/nfs/dbraw/zinc/24/62/47/186246247.db2.gz	NYUQJJBRRUIVJZ-XHDPSFHLSA-N	0	0	321.377	2.158	10	5		DEBERN
COc1ccccc1[C@H](O)CNc1nccc(C)c1[N+](=O)[O-]	ZINC000172277607	198069751	/nfs/dbraw/zinc/06/97/51/198069751.db2.gz	UXKGFTHZLGVSTH-GFCCVEGCSA-N	0	0	303.318	2.452	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](NC(=O)C(C)C)C2)n1	ZINC000123923310	355806853	/nfs/dbraw/zinc/80/68/53/355806853.db2.gz	IUHGBDPBUKCCNV-GFCCVEGCSA-N	0	0	306.366	2.039	10	5		DEBERN
O=c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1Cc1cccnc1	ZINC000005380880	181237401	/nfs/dbraw/zinc/23/74/01/181237401.db2.gz	GIYVJYUMWRATIG-UHFFFAOYSA-N	0	0	308.297	2.262	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1OCc1nnc(C(C)C)n1C	ZINC000194653736	356243159	/nfs/dbraw/zinc/24/31/59/356243159.db2.gz	VFVMBLGONSVWEB-UHFFFAOYSA-N	0	0	306.322	2.434	10	5		DEBERN
CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@@H]2CCC[C@]2(CO)C1	ZINC000599174418	359424855	/nfs/dbraw/zinc/42/48/55/359424855.db2.gz	YCZIUHAYXFENIZ-BLLLJJGKSA-N	0	0	304.346	2.396	10	5		DEBERN
CCOC(=O)CC[C@H](C)NC(=O)c1cc(C)cc([N+](=O)[O-])c1	ZINC000089806085	192875654	/nfs/dbraw/zinc/87/56/54/192875654.db2.gz	DWBIGYOCAFPCEG-NSHDSACASA-N	0	0	308.334	2.365	10	5		DEBERN
CC(=O)CN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)C	ZINC000601602138	360084282	/nfs/dbraw/zinc/08/42/82/360084282.db2.gz	PCPVDGKWBVKDMS-UHFFFAOYSA-N	0	0	314.288	2.242	10	5		DEBERN
CCOC(=O)CN(C(=O)c1csc([N+](=O)[O-])c1)C(C)(C)C	ZINC000193825265	201129904	/nfs/dbraw/zinc/12/99/04/201129904.db2.gz	FKGBBAMCCKLURZ-UHFFFAOYSA-N	0	0	314.363	2.460	10	5		DEBERN
CCOc1ccc(C(=O)N2CCC[C@@H]2COC)cc1[N+](=O)[O-]	ZINC000610624876	361434500	/nfs/dbraw/zinc/43/45/00/361434500.db2.gz	CBGGDOYEJJLANE-GFCCVEGCSA-N	0	0	308.334	2.245	10	5		DEBERN
COc1cc(N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c(F)cc1[N+](=O)[O-]	ZINC000611256036	361563378	/nfs/dbraw/zinc/56/33/78/361563378.db2.gz	FUPKNHPVZYSDAX-YGOYTEALSA-N	0	0	323.324	2.164	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H](Cn3cncn3)C2)n1	ZINC000611616491	361645438	/nfs/dbraw/zinc/64/54/38/361645438.db2.gz	SWOWVSXKTOYFCR-CYBMUJFWSA-N	0	0	316.365	2.115	10	5		DEBERN
Cc1ccncc1N1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1	ZINC000619589549	363835616	/nfs/dbraw/zinc/83/56/16/363835616.db2.gz	ZQIJSUTXSBQJLE-UHFFFAOYSA-N	0	0	313.361	2.328	10	5		DEBERN
CN1CCO[C@@H](CNc2ccc([N+](=O)[O-])cc2C(F)F)C1	ZINC000091673596	193089468	/nfs/dbraw/zinc/08/94/68/193089468.db2.gz	MRHNUZZJXYHRHS-JTQLQIEISA-N	0	0	301.293	2.275	10	5		DEBERN
Cc1nn(C)cc1CC(=O)N1CCCc2ccc([N+](=O)[O-])cc21	ZINC000449958114	241293779	/nfs/dbraw/zinc/29/37/79/241293779.db2.gz	GWZSEKGLNCQINB-UHFFFAOYSA-N	0	0	314.345	2.159	10	5		DEBERN
COC(=O)Cc1ccc(N[C@H]2CC[C@@H](OC)C2)c([N+](=O)[O-])c1	ZINC000450474184	241877694	/nfs/dbraw/zinc/87/76/94/241877694.db2.gz	JOKUEOTXFZFPQN-NWDGAFQWSA-N	0	0	308.334	2.290	10	5		DEBERN
CC[C@H](C)CN(CC)S(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1	ZINC000093264186	193221944	/nfs/dbraw/zinc/22/19/44/193221944.db2.gz	JLNLFSHELSRJGI-JTQLQIEISA-N	0	0	315.395	2.234	10	5		DEBERN
CC[C@@H](C)CN(CC)S(=O)(=O)c1ccc(N)cc1[N+](=O)[O-]	ZINC000093265189	193222321	/nfs/dbraw/zinc/22/23/21/193222321.db2.gz	QIPHGXLAVMNVEN-SNVBAGLBSA-N	0	0	315.395	2.234	10	5		DEBERN
C[NH2+][C@]1(C(=O)[O-])CC[C@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)C1	ZINC000093847077	193317109	/nfs/dbraw/zinc/31/71/09/193317109.db2.gz	QJCZDMXFQSKNRJ-TVQRCGJNSA-N	0	0	314.725	2.222	10	5		DEBERN
CN[C@@]1(C(=O)OC)CC[C@@H](Sc2ccccc2[N+](=O)[O-])C1	ZINC000093848732	193317989	/nfs/dbraw/zinc/31/79/89/193317989.db2.gz	FTEQMBIVZCFAIE-YGRLFVJLSA-N	0	0	310.375	2.371	10	5		DEBERN
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@H]1C[C@@H]1C	ZINC000094780211	193397014	/nfs/dbraw/zinc/39/70/14/193397014.db2.gz	ZFFRTFLHWSNHNF-WCBMZHEXSA-N	0	0	316.354	2.319	10	5		DEBERN
CC[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C	ZINC000094780184	193397175	/nfs/dbraw/zinc/39/71/75/193397175.db2.gz	WUZOBWMOVHJJIQ-QMMMGPOBSA-N	0	0	304.343	2.367	10	5		DEBERN
CC[C@@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(NC)cc1C	ZINC000094780641	193398004	/nfs/dbraw/zinc/39/80/04/193398004.db2.gz	JQMPZPMOVNVPDS-SECBINFHSA-N	0	0	315.395	2.269	10	5		DEBERN
CNc1cc(C)c(S(=O)(=O)N(C)CC(C)C)cc1[N+](=O)[O-]	ZINC000094780504	193398023	/nfs/dbraw/zinc/39/80/23/193398023.db2.gz	OQJPBEHXRUZPBM-UHFFFAOYSA-N	0	0	315.395	2.221	10	5		DEBERN
CCC[C@@]1(C)CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1	ZINC000266235723	205202936	/nfs/dbraw/zinc/20/29/36/205202936.db2.gz	VOVWGTKEFWHQSS-HNNXBMFYSA-N	0	0	306.366	2.495	10	5		DEBERN
CCCCCOc1cc(C)c(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000037368656	182883890	/nfs/dbraw/zinc/88/38/90/182883890.db2.gz	PBEAJROSMHZVOJ-UHFFFAOYSA-N	0	0	302.352	2.120	10	5		DEBERN
CC(C)N(CCCO)c1ncc(Br)cc1[N+](=O)[O-]	ZINC000040713491	183121690	/nfs/dbraw/zinc/12/16/90/183121690.db2.gz	VUBJCAFOKMFPKO-UHFFFAOYSA-N	0	0	318.171	2.350	10	5		DEBERN
O=C(NCc1cccnc1)c1cc([N+](=O)[O-])c(F)c(F)c1F	ZINC000041132113	183171188	/nfs/dbraw/zinc/17/11/88/183171188.db2.gz	RLQSKSOZYJOWJL-UHFFFAOYSA-N	0	0	311.219	2.337	10	5		DEBERN
COCCN(c1nc(Cl)ccc1[N+](=O)[O-])[C@@H](C)COC	ZINC000042612815	183291137	/nfs/dbraw/zinc/29/11/37/183291137.db2.gz	HSESVOJCOXQLEM-VIFPVBQESA-N	0	0	303.746	2.131	10	5		DEBERN
C[NH2+][C@](C)(CCCOc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000045462456	183510494	/nfs/dbraw/zinc/51/04/94/183510494.db2.gz	CNFBFODMAFSWRX-CYBMUJFWSA-N	0	0	316.741	2.470	10	5		DEBERN
Cc1cc(OCC2CCCC2)c([N+](=O)[O-])cc1S(N)(=O)=O	ZINC000048733041	183683240	/nfs/dbraw/zinc/68/32/40/183683240.db2.gz	ZEYREGVSDKVHIX-UHFFFAOYSA-N	0	0	314.363	2.120	10	5		DEBERN
CC[NH2+][C@](C)(COc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)[O-]	ZINC000050471964	183787365	/nfs/dbraw/zinc/78/73/65/183787365.db2.gz	HCHARLJUSZUKPH-GFCCVEGCSA-N	0	0	302.714	2.080	10	5		DEBERN
CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)CC	ZINC000050636362	183793114	/nfs/dbraw/zinc/79/31/14/183793114.db2.gz	XXELQMQQYZBYJX-UHFFFAOYSA-N	0	0	315.395	2.494	10	5		DEBERN
CNc1ccc(S(=O)(=O)N(C)C2CCCC2)c([N+](=O)[O-])c1	ZINC000050652063	183794554	/nfs/dbraw/zinc/79/45/54/183794554.db2.gz	OZNYXQHBIXEUEF-UHFFFAOYSA-N	0	0	313.379	2.200	10	5		DEBERN
CCCN(C1CC1)S(=O)(=O)c1ccc(NC)cc1[N+](=O)[O-]	ZINC000050652513	183794557	/nfs/dbraw/zinc/79/45/57/183794557.db2.gz	UFCUDMJBYAFJLU-UHFFFAOYSA-N	0	0	313.379	2.200	10	5		DEBERN
CC[C@H](NS(=O)(=O)c1ccc(NC)cc1[N+](=O)[O-])C(C)C	ZINC000050671499	183798115	/nfs/dbraw/zinc/79/81/15/183798115.db2.gz	ABZUBLRHLZEXQW-NSHDSACASA-N	0	0	315.395	2.349	10	5		DEBERN
O=C(c1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2nccs2)C1	ZINC000110880532	194366313	/nfs/dbraw/zinc/36/63/13/194366313.db2.gz	GHKOOONSAUVWRR-LBPRGKRZSA-N	0	0	319.342	2.265	10	5		DEBERN
CCOCc1nnc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)s1	ZINC000059132944	184135558	/nfs/dbraw/zinc/13/55/58/184135558.db2.gz	PJGMXTKRFQOYOY-UHFFFAOYSA-N	0	0	322.346	2.164	10	5		DEBERN
CNc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC1CCC1	ZINC000061487188	184171195	/nfs/dbraw/zinc/17/11/95/184171195.db2.gz	GYFRMXNVGWYGRP-UHFFFAOYSA-N	0	0	313.379	2.057	10	5		DEBERN
C[C@@H](NC(=O)c1cc(NN)ccc1[N+](=O)[O-])c1ccsc1	ZINC000061374346	184169438	/nfs/dbraw/zinc/16/94/38/184169438.db2.gz	RQSKLCIHFAGMQE-MRVPVSSYSA-N	0	0	306.347	2.433	10	5		DEBERN
CCN[C@@H](CCOc1ccc([N+](=O)[O-])cc1Cl)C(=O)OC	ZINC000062539635	184241586	/nfs/dbraw/zinc/24/15/86/184241586.db2.gz	HGVNMXBOMIHUHV-NSHDSACASA-N	0	0	316.741	2.168	10	5		DEBERN
COc1cc(CO)c([N+](=O)[O-])cc1OCc1cnc(C)s1	ZINC000062336847	184231178	/nfs/dbraw/zinc/23/11/78/184231178.db2.gz	GWCXXZSCITUXKM-UHFFFAOYSA-N	0	0	310.331	2.440	10	5		DEBERN
O=[N+]([O-])c1cccc2c(NC3CCS(=O)CC3)ccnc21	ZINC000158444064	197272660	/nfs/dbraw/zinc/27/26/60/197272660.db2.gz	GURSAKPVFGJAGP-UHFFFAOYSA-N	0	0	305.359	2.466	10	5		DEBERN
COCCN(CC(F)F)C(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000158318323	197261988	/nfs/dbraw/zinc/26/19/88/197261988.db2.gz	CQXWXUVRHARCLM-UHFFFAOYSA-N	0	0	308.306	2.318	10	5		DEBERN
CCCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])c(NC)s1	ZINC000157557761	197197461	/nfs/dbraw/zinc/19/74/61/197197461.db2.gz	IEYKNCQAMHLKPL-UHFFFAOYSA-N	0	0	307.397	2.119	10	5		DEBERN
CNc1ccc(S(=O)(=O)NCCC2CCC2)cc1[N+](=O)[O-]	ZINC000157235189	197172093	/nfs/dbraw/zinc/17/20/93/197172093.db2.gz	NSPBZBSPZAKPGQ-UHFFFAOYSA-N	0	0	313.379	2.105	10	5		DEBERN
CCOC(=O)[C@@]1(C)CCN(c2ncc([N+](=O)[O-])cc2Cl)C1	ZINC000154895093	197003045	/nfs/dbraw/zinc/00/30/45/197003045.db2.gz	UJNVTRLFLGWOHF-ZDUSSCGKSA-N	0	0	313.741	2.423	10	5		DEBERN
Cc1ccn2c(c1)nnc2NC(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000121783152	195346486	/nfs/dbraw/zinc/34/64/86/195346486.db2.gz	OKXFOHXCKAYFEM-UHFFFAOYSA-N	0	0	311.301	2.127	10	5		DEBERN
Cc1nn(C)c(C)c1CCNC(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000122079400	195398454	/nfs/dbraw/zinc/39/84/54/195398454.db2.gz	YBYRROKUADJDFQ-UHFFFAOYSA-N	0	0	322.390	2.288	10	5		DEBERN
COC(=O)[C@@H](C)NCc1cc(Br)ccc1[N+](=O)[O-]	ZINC000122091986	195399139	/nfs/dbraw/zinc/39/91/39/195399139.db2.gz	VYLAEGWWEGPRQW-SSDOTTSWSA-N	0	0	317.139	2.008	10	5		DEBERN
CCOc1cc(NCC(C)(C)S(C)(=O)=O)cc([N+](=O)[O-])c1	ZINC000122484798	195457961	/nfs/dbraw/zinc/45/79/61/195457961.db2.gz	NJARLKWILJLFDP-UHFFFAOYSA-N	0	0	316.379	2.229	10	5		DEBERN
O=[N+]([O-])c1ccc(-c2nc(CSCCOCCO)co2)cc1	ZINC000545180798	285393794	/nfs/dbraw/zinc/39/37/94/285393794.db2.gz	WRUHFRLEXBPIDA-UHFFFAOYSA-N	0	0	324.358	2.492	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc([C@H](C)NC(N)=O)no1	ZINC000362299847	533381565	/nfs/dbraw/zinc/38/15/65/533381565.db2.gz	RNBSLLVQUAZCER-FUOZMLNRSA-N	0	0	317.305	2.268	10	5		DEBERN
Cc1n[nH]c(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)c1[N+](=O)[O-]	ZINC000299594348	533657630	/nfs/dbraw/zinc/65/76/30/533657630.db2.gz	QZTXUTLETVSFTI-ZYANWLCNSA-N	0	0	304.350	2.277	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(Cc2nnc(-c3ccccc3)o2)c1=O	ZINC000178229406	132533469	/nfs/dbraw/zinc/53/34/69/132533469.db2.gz	WZHOVOYOZJGGNB-UHFFFAOYSA-N	0	0	312.285	2.163	10	5		DEBERN
O=C(N[C@H]1COc2ccccc21)c1[nH]nc2ccc([N+](=O)[O-])cc21	ZINC000195009290	132543131	/nfs/dbraw/zinc/54/31/31/132543131.db2.gz	UYGILPYRBSLCJV-ZDUSSCGKSA-N	0	0	324.296	2.335	10	5		DEBERN
CC(=O)c1cc(N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)ccc1[N+](=O)[O-]	ZINC000376453394	133294894	/nfs/dbraw/zinc/29/48/94/133294894.db2.gz	GBCCIUPPKUJYPD-DDHOLCJHSA-N	0	0	317.345	2.219	10	5		DEBERN
CC(=O)c1ccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])cc1Cl	ZINC000549223954	285836298	/nfs/dbraw/zinc/83/62/98/285836298.db2.gz	OWZJWTXPFNKGKH-UHFFFAOYSA-N	0	0	308.681	2.426	10	5		DEBERN
CC(C)c1nc2n(n1)C[C@H](Nc1ncc([N+](=O)[O-])s1)CC2	ZINC000192451530	145074137	/nfs/dbraw/zinc/07/41/37/145074137.db2.gz	LKCIDDBIQCLZAU-MRVPVSSYSA-N	0	0	308.367	2.193	10	5		DEBERN
CCc1n[nH]c(C2CCN(c3ncc([N+](=O)[O-])s3)CC2)n1	ZINC000192550104	145074987	/nfs/dbraw/zinc/07/49/87/145074987.db2.gz	DMZJGPJTYDLZGW-UHFFFAOYSA-N	0	0	308.367	2.116	10	5		DEBERN
O=[N+]([O-])c1ccc(F)cc1NCc1cccnc1-n1cncn1	ZINC000192532141	145075208	/nfs/dbraw/zinc/07/52/08/145075208.db2.gz	HPRAVVFGTVIKOG-UHFFFAOYSA-N	0	0	314.280	2.322	10	5		DEBERN
O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1cc(F)ccc1[N+](=O)[O-]	ZINC000247652960	145142767	/nfs/dbraw/zinc/14/27/67/145142767.db2.gz	WRMPTOHUFWMXJN-ZKYQVNSYSA-N	0	0	308.309	2.421	10	5		DEBERN
C[C@@H](CCNc1ncnc2sc([N+](=O)[O-])cc21)[S@@](C)=O	ZINC000312241966	145354819	/nfs/dbraw/zinc/35/48/19/145354819.db2.gz	GYYIPJJHZPQLQG-SVWIBVJCSA-N	0	0	314.392	2.169	10	5		DEBERN
COC(=O)[C@H](NCCCNc1ccc(C)cc1[N+](=O)[O-])C1CC1	ZINC000358825761	147213987	/nfs/dbraw/zinc/21/39/87/147213987.db2.gz	XHHANNHGSGCDBC-OAHLLOKOSA-N	0	0	321.377	2.246	10	5		DEBERN
Cc1ccccc1NC(=O)CCn1cc([N+](=O)[O-])cc(C)c1=O	ZINC000127165875	401722824	/nfs/dbraw/zinc/72/28/24/401722824.db2.gz	MFGZJTRBJGLFHG-UHFFFAOYSA-N	0	0	315.329	2.402	10	5		DEBERN
Cc1nn(C)c(NCC[C@@H]2c3ccccc3NC2=O)c1[N+](=O)[O-]	ZINC000114708588	401806964	/nfs/dbraw/zinc/80/69/64/401806964.db2.gz	PFJUFWGVQMPDSF-LLVKDONJSA-N	0	0	315.333	2.175	10	5		DEBERN
CCOC(=O)c1ccnc(NC[C@@H]2CCCC[C@@H]2O)c1[N+](=O)[O-]	ZINC000077237805	401807106	/nfs/dbraw/zinc/80/71/06/401807106.db2.gz	IGGOMZVGILKVLR-JQWIXIFHSA-N	0	0	323.349	2.130	10	5		DEBERN
CC(C)CC[C@@](C)(O)CNC(=O)COc1ccccc1[N+](=O)[O-]	ZINC000075127328	401750382	/nfs/dbraw/zinc/75/03/82/401750382.db2.gz	YLIAUNHVIQZQPJ-MRXNPFEDSA-N	0	0	324.377	2.277	10	5		DEBERN
O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000128143747	401764504	/nfs/dbraw/zinc/76/45/04/401764504.db2.gz	SUWGOYCHOBQWCC-YOEHRIQHSA-N	0	0	318.373	2.291	10	5		DEBERN
COCc1csc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)n1	ZINC000115243506	401822093	/nfs/dbraw/zinc/82/20/93/401822093.db2.gz	NVRHXFYGWLDPKF-UHFFFAOYSA-N	0	0	307.331	2.379	10	5		DEBERN
CCC1CCC(NC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1	ZINC000133554055	401890757	/nfs/dbraw/zinc/89/07/57/401890757.db2.gz	KAQSTLQRKVUUQW-UHFFFAOYSA-N	0	0	309.370	2.059	10	5		DEBERN
CC[N@@H+]1CCC[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1	ZINC000134856403	401916746	/nfs/dbraw/zinc/91/67/46/401916746.db2.gz	UCRPLIMHWSOWBP-LBPRGKRZSA-N	0	0	311.769	2.462	10	5		DEBERN
CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1	ZINC000134856424	401917029	/nfs/dbraw/zinc/91/70/29/401917029.db2.gz	UCRPLIMHWSOWBP-GFCCVEGCSA-N	0	0	311.769	2.462	10	5		DEBERN
CCOC(=O)CC[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000089689988	401957461	/nfs/dbraw/zinc/95/74/61/401957461.db2.gz	FBXUURVXUCCPIC-SNVBAGLBSA-N	0	0	309.322	2.448	10	5		DEBERN
CCOC(=O)CC[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C	ZINC000089806296	401965196	/nfs/dbraw/zinc/96/51/96/401965196.db2.gz	XRLYZSKJWKHEES-JTQLQIEISA-N	0	0	308.334	2.365	10	5		DEBERN
CC(C)c1ccccc1OC[C@@H](O)Cn1cnc([N+](=O)[O-])c1	ZINC000046570280	401971192	/nfs/dbraw/zinc/97/11/92/401971192.db2.gz	RZIQODXLPWBBHV-LBPRGKRZSA-N	0	0	305.334	2.355	10	5		DEBERN
COCCCOC1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1	ZINC000136695684	401971938	/nfs/dbraw/zinc/97/19/38/401971938.db2.gz	FODFDMCFRSXVFT-UHFFFAOYSA-N	0	0	323.349	2.172	10	5		DEBERN
CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000048698854	402006559	/nfs/dbraw/zinc/00/65/59/402006559.db2.gz	SJVQNIMGWAZAMI-MRVPVSSYSA-N	0	0	313.741	2.347	10	5		DEBERN
C[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1	ZINC000054647559	402070257	/nfs/dbraw/zinc/07/02/57/402070257.db2.gz	ZAMJSQQDXNMMOE-FZMZJTMJSA-N	0	0	307.350	2.004	10	5		DEBERN
Cc1cccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n1	ZINC000055277010	402078737	/nfs/dbraw/zinc/07/87/37/402078737.db2.gz	MAZCSMCQUBCXHS-UHFFFAOYSA-N	0	0	321.358	2.085	10	5		DEBERN
COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCCC[C@H]1CO	ZINC000122743078	402092404	/nfs/dbraw/zinc/09/24/04/402092404.db2.gz	SDUPBUDJQUUCSR-JQWIXIFHSA-N	0	0	323.349	2.276	10	5		DEBERN
CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@@H]1CCOC1	ZINC000106843641	402217570	/nfs/dbraw/zinc/21/75/70/402217570.db2.gz	KFRHHXNZQSLTIJ-GFCCVEGCSA-N	0	0	305.334	2.030	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N(CC(F)F)C2CC2)cc1	ZINC000106896238	402221078	/nfs/dbraw/zinc/22/10/78/402221078.db2.gz	MNUBUPYGBLMTAZ-UHFFFAOYSA-N	0	0	306.290	2.013	10	5		DEBERN
CCc1nc2n(n1)C[C@@H](Nc1cccc(F)c1[N+](=O)[O-])CC2	ZINC000108948399	402265047	/nfs/dbraw/zinc/26/50/47/402265047.db2.gz	NCDFBTLRYZMDAI-VIFPVBQESA-N	0	0	305.313	2.315	10	5		DEBERN
COc1ccccc1[C@@H](O)CNc1ncc([N+](=O)[O-])cc1C	ZINC000108349515	402251572	/nfs/dbraw/zinc/25/15/72/402251572.db2.gz	MTRWCLKCHHBKEA-ZDUSSCGKSA-N	0	0	303.318	2.452	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1c2ccccc2C[C@@H]1O	ZINC000126309048	402274708	/nfs/dbraw/zinc/27/47/08/402274708.db2.gz	OMQDUOFXGOMSQI-HOTGVXAUSA-N	0	0	312.325	2.291	10	5		DEBERN
CCOc1cccnc1C(=O)NCc1ccccc1[N+](=O)[O-]	ZINC000176094728	402278675	/nfs/dbraw/zinc/27/86/75/402278675.db2.gz	PLIBGYULJIVMQL-UHFFFAOYSA-N	0	0	301.302	2.319	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](CO)c1ccccc1	ZINC000176479351	402313323	/nfs/dbraw/zinc/31/33/23/402313323.db2.gz	QOKKJTQIBATEAE-AWEZNQCLSA-N	0	0	314.341	2.409	10	5		DEBERN
CC(C)[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21	ZINC000185389381	402349265	/nfs/dbraw/zinc/34/92/65/402349265.db2.gz	FLCITEHCCLRGAV-JTQLQIEISA-N	0	0	323.374	2.466	10	5		DEBERN
O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCc2n[nH]cc21	ZINC000177455840	402404121	/nfs/dbraw/zinc/40/41/21/402404121.db2.gz	RAKZYOQULNUTIC-GFCCVEGCSA-N	0	0	300.318	2.054	10	5		DEBERN
O=C(N[C@H]1CCCn2ncnc21)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000177581304	402417452	/nfs/dbraw/zinc/41/74/52/402417452.db2.gz	LCHRIUAUWQVNKQ-VIFPVBQESA-N	0	0	321.724	2.105	10	5		DEBERN
CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(=O)[C@H](C)C2)c1	ZINC000186595600	402446275	/nfs/dbraw/zinc/44/62/75/402446275.db2.gz	WMKMTKSIGGHXHW-SECBINFHSA-N	0	0	308.359	2.368	10	5		DEBERN
O=C(N[C@H]1CCCOC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1	ZINC000178868781	402548562	/nfs/dbraw/zinc/54/85/62/402548562.db2.gz	USPHKOJQYGKQKV-ZDUSSCGKSA-N	0	0	319.361	2.448	10	5		DEBERN
CCc1nc(CCNC(=O)c2cc([N+](=O)[O-])cnc2C)cs1	ZINC000171015550	402549750	/nfs/dbraw/zinc/54/97/50/402549750.db2.gz	NHCTZLRXWBQASO-UHFFFAOYSA-N	0	0	320.374	2.290	10	5		DEBERN
Cc1csc([C@@H]2CN(c3ncc([N+](=O)[O-])s3)CCO2)n1	ZINC000190323167	402592401	/nfs/dbraw/zinc/59/24/01/402592401.db2.gz	SVZAMLYKLGPMPG-QMMMGPOBSA-N	0	0	312.376	2.394	10	5		DEBERN
COC[C@](C)(CCO)NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1	ZINC000190436136	402600966	/nfs/dbraw/zinc/60/09/66/402600966.db2.gz	MAUSGDOQPJOBDF-INIZCTEOSA-N	0	0	324.377	2.236	10	5		DEBERN
O=C1[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000248845196	402611036	/nfs/dbraw/zinc/61/10/36/402611036.db2.gz	PAIAILSUPQUXES-XDTLVQLUSA-N	0	0	301.302	2.162	10	5		DEBERN
COc1cc(OCC(=O)NC[C@H](C)C(C)C)ccc1[N+](=O)[O-]	ZINC000172440813	402656204	/nfs/dbraw/zinc/65/62/04/402656204.db2.gz	UUMSADNFEQEVLL-NSHDSACASA-N	0	0	310.350	2.391	10	5		DEBERN
CC[C@@H](NS(=O)(=O)CCCOC)c1cccc([N+](=O)[O-])c1	ZINC000175111191	402780131	/nfs/dbraw/zinc/78/01/31/402780131.db2.gz	NGVFGJIVQZVYHT-CYBMUJFWSA-N	0	0	316.379	2.002	10	5		DEBERN
CCC(C)(CC)NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000183601989	402780515	/nfs/dbraw/zinc/78/05/15/402780515.db2.gz	JPMHHVAMLOQONW-UHFFFAOYSA-N	0	0	321.377	2.328	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1CN1CC(=O)N[C@@H]2CCCC[C@@H]21	ZINC000183309503	402754886	/nfs/dbraw/zinc/75/48/86/402754886.db2.gz	SQHHDOWCNIANMV-CABCVRRESA-N	0	0	303.362	2.146	10	5		DEBERN
CCOc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC)C2)cc1[N+](=O)[O-]	ZINC000193684201	402775317	/nfs/dbraw/zinc/77/53/17/402775317.db2.gz	VFBLYGSEYQCJJK-CYBMUJFWSA-N	0	0	321.377	2.208	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NCCOc1ccccc1	ZINC000194853319	402818743	/nfs/dbraw/zinc/81/87/43/402818743.db2.gz	XREXONRWRLMDQA-UHFFFAOYSA-N	0	0	301.302	2.107	10	5		DEBERN
CC(C)(C)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1	ZINC000280178564	402972530	/nfs/dbraw/zinc/97/25/30/402972530.db2.gz	HSMBVUQRMBQVOP-SNVBAGLBSA-N	0	0	306.366	2.351	10	5		DEBERN
C[C@@H](Cc1cccc(F)c1)Nc1ncc([N+](=O)[O-])cc1C(N)=O	ZINC000301276782	403608966	/nfs/dbraw/zinc/60/89/66/403608966.db2.gz	JAYHDPIUOUAOOI-VIFPVBQESA-N	0	0	318.308	2.271	10	5		DEBERN
CCNC(=O)[C@@H]1CCCN(c2cccc(OCC)c2[N+](=O)[O-])C1	ZINC000302208433	403708888	/nfs/dbraw/zinc/70/88/88/403708888.db2.gz	FMWXRCHNRKETKB-GFCCVEGCSA-N	0	0	321.377	2.346	10	5		DEBERN
C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC(=O)N(C)[C@H](C)C1	ZINC000337550767	404093269	/nfs/dbraw/zinc/09/32/69/404093269.db2.gz	RPOUTPGMPWQLTR-FFXRNRBCSA-N	0	0	303.362	2.161	10	5		DEBERN
CC(=O)c1ccc(N2C[C@H]3CCC[C@@H](C2)C3O)c([N+](=O)[O-])c1	ZINC000363228882	404121805	/nfs/dbraw/zinc/12/18/05/404121805.db2.gz	XUPGJSMTSHTAFH-OCZCAGDBSA-N	0	0	304.346	2.395	10	5		DEBERN
COC(=O)c1cc(C)nc(N2CCC[C@@H](OC)CC2)c1[N+](=O)[O-]	ZINC000370665939	404403164	/nfs/dbraw/zinc/40/31/64/404403164.db2.gz	FCFFFWHEMGFMSW-LLVKDONJSA-N	0	0	323.349	2.090	10	5		DEBERN
O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCCC12CCC2	ZINC000366844646	404856857	/nfs/dbraw/zinc/85/68/57/404856857.db2.gz	NCQZOAGFHRWGHY-UHFFFAOYSA-N	0	0	324.402	2.486	10	5		DEBERN
CN(CCCO)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-]	ZINC000451653407	405016775	/nfs/dbraw/zinc/01/67/75/405016775.db2.gz	SEYCFBDOYLYNAF-UHFFFAOYSA-N	0	0	315.329	2.111	10	5		DEBERN
C[C@@H]1C[C@H](CCNC(=O)Cn2cnc([N+](=O)[O-])n2)CC(C)(C)C1	ZINC000436228935	405061746	/nfs/dbraw/zinc/06/17/46/405061746.db2.gz	RIXKWLCYDSRSLN-NEPJUHHUSA-N	0	0	323.397	2.155	10	5		DEBERN
C/C=C\C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])C(=O)OCC	ZINC000361545302	405125900	/nfs/dbraw/zinc/12/59/00/405125900.db2.gz	JMYHQAQWNZHTPF-KTLBGCOUSA-N	0	0	306.318	2.223	10	5		DEBERN
O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1C[C@H]2CC[C@@H](C1)O2	ZINC000408250638	405152731	/nfs/dbraw/zinc/15/27/31/405152731.db2.gz	PJMCNNBICSTGCT-PHIMTYICSA-N	0	0	301.302	2.080	10	5		DEBERN
CCOc1ccc(C(=O)NCC[C@@H](C)CCO)cc1[N+](=O)[O-]	ZINC000452684603	405226287	/nfs/dbraw/zinc/22/62/87/405226287.db2.gz	OXEZABAMENKNHI-LLVKDONJSA-N	0	0	310.350	2.132	10	5		DEBERN
O=C1C[C@H](Nc2ccc([N+](=O)[O-])nc2)CN1C1CCCCC1	ZINC000450395282	405873864	/nfs/dbraw/zinc/87/38/64/405873864.db2.gz	REXXZSZBXYKZLS-LBPRGKRZSA-N	0	0	304.350	2.335	10	5		DEBERN
O=[N+]([O-])c1ccc(OC[C@@H]2CCN(CC(F)(F)F)C2)nc1	ZINC000606303134	405909738	/nfs/dbraw/zinc/90/97/38/405909738.db2.gz	JXJCLTDQQJDIMH-SECBINFHSA-N	0	0	305.256	2.253	10	5		DEBERN
C[C@H]1C[C@@H]1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1	ZINC000468341005	406097029	/nfs/dbraw/zinc/09/70/29/406097029.db2.gz	RLESRXSTGUMICK-WDEREUQCSA-N	0	0	305.334	2.023	10	5		DEBERN
O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H](CO)CC1CCCC1	ZINC000548886476	406564353	/nfs/dbraw/zinc/56/43/53/406564353.db2.gz	ZZJHUQBMEBIPSI-AWEZNQCLSA-N	0	0	321.377	2.335	10	5		DEBERN
CCOc1cc(C=O)cc(I)c1[N+](=O)[O-]	ZINC000575698405	406819927	/nfs/dbraw/zinc/81/99/27/406819927.db2.gz	OPUFMJMBYPHNLZ-UHFFFAOYSA-N	0	0	321.070	2.411	10	5		DEBERN
COC(=O)Cc1c([N+](=O)[O-])ccc(Br)c1OC	ZINC000575713031	406822129	/nfs/dbraw/zinc/82/21/29/406822129.db2.gz	SIUYMZZWSDXFGD-UHFFFAOYSA-N	0	0	304.096	2.081	10	5		DEBERN
CC[C@H](CSC)N(C)C(=O)c1ccc(NN)c([N+](=O)[O-])c1	ZINC000129759083	196073678	/nfs/dbraw/zinc/07/36/78/196073678.db2.gz	GUKKPCFUPKOKEI-SNVBAGLBSA-N	0	0	312.395	2.094	10	5		DEBERN
COC(=O)[C@@H]1CCN1c1ccc(Br)c([N+](=O)[O-])c1	ZINC000130970871	196127982	/nfs/dbraw/zinc/12/79/82/196127982.db2.gz	PLENFMSVMDQMMS-VIFPVBQESA-N	0	0	315.123	2.109	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC=CCC2)cc1F	ZINC000131245726	196152920	/nfs/dbraw/zinc/15/29/20/196152920.db2.gz	PEYKBRPFJKOHDW-VIFPVBQESA-N	0	0	300.311	2.121	10	5		DEBERN
COC(=O)c1csc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1	ZINC000131391607	196163822	/nfs/dbraw/zinc/16/38/22/196163822.db2.gz	COBZPVBBPGPQEL-UHFFFAOYSA-N	0	0	321.314	2.399	10	5		DEBERN
CCC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(NC)c1	ZINC000131697026	196191525	/nfs/dbraw/zinc/19/15/25/196191525.db2.gz	XLLWMMHYSNNMDK-UHFFFAOYSA-N	0	0	301.368	2.103	10	5		DEBERN
CCNc1cc(S(=O)(=O)NCC2CCC2)ccc1[N+](=O)[O-]	ZINC000131905425	196208815	/nfs/dbraw/zinc/20/88/15/196208815.db2.gz	BVURWJICVOUSGC-UHFFFAOYSA-N	0	0	313.379	2.105	10	5		DEBERN
C[C@H]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(N)c2)C1	ZINC000131915457	196209908	/nfs/dbraw/zinc/20/99/08/196209908.db2.gz	BRFGLUWYHBFFDM-UWVGGRQHSA-N	0	0	313.379	2.034	10	5		DEBERN
C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)C1	ZINC000132011810	196219295	/nfs/dbraw/zinc/21/92/95/196219295.db2.gz	CEHWFVBSJLZPPV-DTWKUNHWSA-N	0	0	302.327	2.201	10	5		DEBERN
CO[C@@H]1C(=O)C[C@@H]1Oc1cccc([N+](=O)[O-])c1Br	ZINC000135202421	196452231	/nfs/dbraw/zinc/45/22/31/196452231.db2.gz	KDYIQYOCWMJNQH-GXSJLCMTSA-N	0	0	316.107	2.093	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N(C)CCc2ccc(F)cc2)n1	ZINC000191571116	225113243	/nfs/dbraw/zinc/11/32/43/225113243.db2.gz	WNDOTQRCRALXNS-UHFFFAOYSA-N	0	0	320.324	2.265	10	5		DEBERN
C[C@](O)(CNc1cc(CO)ccc1[N+](=O)[O-])c1ccsc1	ZINC000302035026	230051255	/nfs/dbraw/zinc/05/12/55/230051255.db2.gz	LMYKEVPOHFBJGV-AWEZNQCLSA-N	0	0	308.359	2.468	10	5		DEBERN
O=[N+]([O-])c1cnc(Sc2n[nH]c(-c3cccs3)n2)nc1	ZINC000302160354	230135590	/nfs/dbraw/zinc/13/55/90/230135590.db2.gz	OWRXCVUWFARWHP-UHFFFAOYSA-N	0	0	306.332	2.383	10	5		DEBERN
Cc1ccccc1[C@H](CO)Nc1ccc2ncc([N+](=O)[O-])n2n1	ZINC000534311122	421689351	/nfs/dbraw/zinc/68/93/51/421689351.db2.gz	XFDKUEWRJJBVDK-LBPRGKRZSA-N	0	0	313.317	2.091	10	5		DEBERN
O=C(Nc1cc([C@@H]2CCCO2)[nH]n1)Nc1cccc([N+](=O)[O-])c1	ZINC000357372374	424815551	/nfs/dbraw/zinc/81/55/51/424815551.db2.gz	KBVVJCYXXOLVTA-LBPRGKRZSA-N	0	0	317.305	2.813	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2Cc3ccccc32)s1	ZINC000194406876	424875830	/nfs/dbraw/zinc/87/58/30/424875830.db2.gz	KJYUOYLVEQXDOX-SNVBAGLBSA-N	0	0	324.383	2.275	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCO[C@@H]1C(C)C	ZINC000177952178	267568637	/nfs/dbraw/zinc/56/86/37/267568637.db2.gz	RPWBFENAKDKIRE-SWLSCSKDSA-N	0	0	321.377	2.479	10	5		DEBERN
CO[C@H]1CN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[C@@H]1C	ZINC000251655391	268617402	/nfs/dbraw/zinc/61/74/02/268617402.db2.gz	HSOBZQMYWCVVQL-WFASDCNBSA-N	0	0	321.377	2.199	10	5		DEBERN
CC(C)[C@@](C)(CO)NC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000398537596	269108646	/nfs/dbraw/zinc/10/86/46/269108646.db2.gz	DRSROUZUUYURJT-CYBMUJFWSA-N	0	0	300.742	2.385	10	5		DEBERN
O=C([C@H]1CCC[C@@H](O)C1)N1CCc2c(cccc2[N+](=O)[O-])C1	ZINC000525892198	269494275	/nfs/dbraw/zinc/49/42/75/269494275.db2.gz	RRYQRESITIGOHL-WCQYABFASA-N	0	0	304.346	2.031	10	5		DEBERN
CC(C)(C)n1ncn(Cc2ccc(Cl)cc2[N+](=O)[O-])c1=O	ZINC000155829660	275544910	/nfs/dbraw/zinc/54/49/10/275544910.db2.gz	FBWSOTDROYLQPC-UHFFFAOYSA-N	0	0	310.741	2.410	10	5		DEBERN
O=[N+]([O-])c1cc(OC2CC2)c(I)cn1	ZINC000095735857	280360807	/nfs/dbraw/zinc/36/08/07/280360807.db2.gz	BSISBBALVXODTN-UHFFFAOYSA-N	0	0	306.059	2.136	10	5		DEBERN
Cc1cnn(C[C@H]2CN(c3c(C)cccc3[N+](=O)[O-])CCO2)c1	ZINC000108950136	293003655	/nfs/dbraw/zinc/00/36/55/293003655.db2.gz	HMPBETUVHREESV-CQSZACIVSA-N	0	0	316.361	2.314	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](C)O[C@]3(CCCOC3)C2)n1	ZINC000408340240	301205964	/nfs/dbraw/zinc/20/59/64/301205964.db2.gz	USCBMCWZHSXJQN-XJKSGUPXSA-N	0	0	321.377	2.381	10	5		DEBERN
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCCO1	ZINC000154952847	341598897	/nfs/dbraw/zinc/59/88/97/341598897.db2.gz	WGBXGEGCAZWVIC-UHFFFAOYSA-N	0	0	308.337	2.319	10	5		DEBERN
CC(=O)c1ccsc1NC(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000297817867	527406766	/nfs/dbraw/zinc/40/67/66/527406766.db2.gz	LADLBDPVTFFHEL-UHFFFAOYSA-N	0	0	308.319	2.084	10	5		DEBERN
CCOc1ccc(C(=O)N[C@@H](CO)C(C)(C)C)cc1[N+](=O)[O-]	ZINC000444753793	528404558	/nfs/dbraw/zinc/40/45/58/528404558.db2.gz	JPMHDMREMGOEJT-ZDUSSCGKSA-N	0	0	310.350	2.130	10	5		DEBERN
COC(=O)c1cc(NCCOCC(F)F)cc(C)c1[N+](=O)[O-]	ZINC000190910073	536566507	/nfs/dbraw/zinc/56/65/07/536566507.db2.gz	OSOBUXSRIIQXER-UHFFFAOYSA-N	0	0	318.276	2.383	10	5		DEBERN
Cc1nn(CN2CC[C@@H](C(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-]	ZINC000176166723	624697495	/nfs/dbraw/zinc/69/74/95/624697495.db2.gz	VWTIDQXCJMAIRS-GFCCVEGCSA-N	0	0	324.381	2.029	10	5		DEBERN
COC(=O)/C(C)=C/COC(=O)/C=C\c1ccc([N+](=O)[O-])cc1	ZINC000748162404	638518785	/nfs/dbraw/zinc/51/87/85/638518785.db2.gz	FEUYNMVEVDNZHU-TWGJSUAUSA-N	0	0	305.286	2.271	10	5		DEBERN
O=C(OCC1CC=CC1)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000750372390	638738075	/nfs/dbraw/zinc/73/80/75/638738075.db2.gz	JJRKNJKWZSSCFF-UHFFFAOYSA-N	0	0	305.286	2.489	10	5		DEBERN
C/C(=C\C(=O)NCCn1ccnc1C)c1ccc([N+](=O)[O-])cc1	ZINC000751775729	639120147	/nfs/dbraw/zinc/12/01/47/639120147.db2.gz	HXRWMTYQHBNSDE-VAWYXSNFSA-N	0	0	314.345	2.319	10	5		DEBERN
C/C(=C/C(=O)O[C@H](C(N)=O)C(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000752356329	639174515	/nfs/dbraw/zinc/17/45/15/639174515.db2.gz	UOQJZRNXINDZIP-GDAGCXPBSA-N	0	0	306.318	2.051	10	5		DEBERN
C/C(=C/C(=O)OCC(=O)N(C)C1CC1)c1ccc([N+](=O)[O-])cc1	ZINC000752352349	639174679	/nfs/dbraw/zinc/17/46/79/639174679.db2.gz	ZVKYKZGUJHMWSX-LUAWRHEFSA-N	0	0	318.329	2.162	10	5		DEBERN
C/C(=C/C(=O)NC[C@@H](O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1	ZINC000752518932	639192554	/nfs/dbraw/zinc/19/25/54/639192554.db2.gz	VWTXHGKFEQGTNT-BPOWMSRESA-N	0	0	318.251	2.038	10	5		DEBERN
C/C(=C\C(=O)N[C@H]1CC(C)(C)OC1=O)c1ccc([N+](=O)[O-])cc1	ZINC000752650013	639206349	/nfs/dbraw/zinc/20/63/49/639206349.db2.gz	AVJVHQHKMHRJCT-FROQITRMSA-N	0	0	318.329	2.208	10	5		DEBERN
Cc1c(Br)c(N[C@H](C)[C@@H](C)O)ncc1[N+](=O)[O-]	ZINC000343797327	640628848	/nfs/dbraw/zinc/62/88/48/640628848.db2.gz	UFEJBOLMAJMDJP-RNFRBKRXSA-N	0	0	304.144	2.242	10	5		DEBERN
C[C@H](C(=O)N1CCO[C@H](C(F)F)C1)c1cccc([N+](=O)[O-])c1	ZINC000801009662	645329765	/nfs/dbraw/zinc/32/97/65/645329765.db2.gz	RIAMGEZGQBUATF-CABZTGNLSA-N	0	0	314.288	2.191	10	5		DEBERN
COc1cc(CN2CCO[C@H](C(F)F)C2)c([N+](=O)[O-])cc1F	ZINC000801568369	645417876	/nfs/dbraw/zinc/41/78/76/645417876.db2.gz	ZLOWQXZFQICYEJ-LBPRGKRZSA-N	0	0	320.267	2.208	10	5		DEBERN
CCN1CC[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)C1=O	ZINC000801683317	645429372	/nfs/dbraw/zinc/42/93/72/645429372.db2.gz	LEHJDKOREVLNSQ-SNVBAGLBSA-N	0	0	306.347	2.237	10	5		DEBERN
C/C(=C\C(=O)OC[C@@]1(C)CNC(=O)C1)c1ccc([N+](=O)[O-])cc1	ZINC000802191540	645495464	/nfs/dbraw/zinc/49/54/64/645495464.db2.gz	INPXFMOBWOJBNM-AYAUWGRQSA-N	0	0	318.329	2.068	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OC[C@@]1(C)CNC(=O)C1	ZINC000802202642	645499411	/nfs/dbraw/zinc/49/94/11/645499411.db2.gz	SADFRDSHSKFAEU-MRDWYFFCSA-N	0	0	318.329	2.068	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@H]1CCCN1C(=O)C(C)C	ZINC000055406726	646433769	/nfs/dbraw/zinc/43/37/69/646433769.db2.gz	DHZQPONUEQXMSR-CYBMUJFWSA-N	0	0	320.345	2.456	10	5		DEBERN
O=C1COc2cc([N+](=O)[O-])c(NCCc3nccs3)cc2N1	ZINC000171532295	646705014	/nfs/dbraw/zinc/70/50/14/646705014.db2.gz	PSAYWQBJEPYMMQ-UHFFFAOYSA-N	0	0	320.330	2.037	10	5		DEBERN
CC(=O)OC1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC1	ZINC000152975766	647327637	/nfs/dbraw/zinc/32/76/37/647327637.db2.gz	KSOFHQJTLNVPSA-UHFFFAOYSA-N	0	0	312.347	2.132	10	5		DEBERN
CC(C)(C)SCCOC(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000077956935	683958056	/nfs/dbraw/zinc/95/80/56/683958056.db2.gz	XODILDZHDIXLQP-UHFFFAOYSA-N	0	0	301.368	2.256	10	5		DEBERN
COC(=O)[C@H]1C[C@@H]1C(=O)Oc1cc([N+](=O)[O-])c(Cl)cc1C	ZINC000118295737	684070838	/nfs/dbraw/zinc/07/08/38/684070838.db2.gz	GSTXGGQGHLOIIU-YUMQZZPRSA-N	0	0	313.693	2.271	10	5		DEBERN
CC(C)COC1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1	ZINC000131659169	684201200	/nfs/dbraw/zinc/20/12/00/684201200.db2.gz	ANZZUVZJCCUQAG-UHFFFAOYSA-N	0	0	321.377	2.454	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)c1cnn(C)c1	ZINC000588439466	777195304	/nfs/dbraw/zinc/19/53/04/777195304.db2.gz	ULFGOOVZLYYXKX-FLIBITNWSA-N	0	0	300.318	2.395	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O[C@H]1C(=O)OCC1(C)C	ZINC000588447472	777209008	/nfs/dbraw/zinc/20/90/08/777209008.db2.gz	HHTNMXLPXCJWOB-KJJQSCHISA-N	0	0	319.313	2.493	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCc1nccn1C	ZINC000588447914	777210187	/nfs/dbraw/zinc/21/01/87/777210187.db2.gz	NSFXQVUBVDBGMR-LUAWRHEFSA-N	0	0	301.302	2.475	10	5		DEBERN
COC1(OC)CC[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl	ZINC000711442596	1087113686	/nfs/dbraw/zinc/11/36/86/1087113686.db2.gz	YIHOCRYGKIRYRL-GFCCVEGCSA-N	0	0	300.742	2.489	10	5		DEBERN
O=[N+]([O-])c1cc(Cl)c(F)cc1NCC1(O)CCOCC1	ZINC000162648274	197582491	/nfs/dbraw/zinc/58/24/91/197582491.db2.gz	YNIGQDNPKJSYCP-UHFFFAOYSA-N	0	0	304.705	2.341	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn([C@@H](C)C(=O)Nc2ccc(F)cc2)c1=O	ZINC000096778150	185387225	/nfs/dbraw/zinc/38/72/25/185387225.db2.gz	LYIBXBVZIZAULQ-JTQLQIEISA-N	0	0	319.292	2.404	10	5		DEBERN
CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000088196568	185241497	/nfs/dbraw/zinc/24/14/97/185241497.db2.gz	ACUWGQKYURWCRA-GFCCVEGCSA-N	0	0	315.333	2.014	10	5		DEBERN
Cc1nn(C)c(C(=O)Nc2cccc3c2OCCC3)c1[N+](=O)[O-]	ZINC000363878325	282256134	/nfs/dbraw/zinc/25/61/34/282256134.db2.gz	IOLSHEBPKFVJHC-UHFFFAOYSA-N	0	0	316.317	2.214	10	5		DEBERN
CCc1nc(C(C)(C)NC(=O)Cc2ccc([N+](=O)[O-])cc2)no1	ZINC000441724136	529711964	/nfs/dbraw/zinc/71/19/64/529711964.db2.gz	DGJJSKXNYIGQBG-UHFFFAOYSA-N	0	0	318.333	2.134	10	5		DEBERN
CC1(C)CC[C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)O1	ZINC000186244892	282270797	/nfs/dbraw/zinc/27/07/97/282270797.db2.gz	MUNJRWBUUQOTEX-CYBMUJFWSA-N	0	0	307.350	2.352	10	5		DEBERN
CC1CCC(NS(=O)(=O)c2cccc(N)c2[N+](=O)[O-])CC1	ZINC000097030576	185399122	/nfs/dbraw/zinc/39/91/22/185399122.db2.gz	DMIJBFPTPYJGOL-UHFFFAOYSA-N	0	0	313.379	2.034	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[C@@H](OC)C1	ZINC000187908301	282294172	/nfs/dbraw/zinc/29/41/72/282294172.db2.gz	WUUHHVUGSWSFBG-HZMBPMFUSA-N	0	0	308.334	2.100	10	5		DEBERN
CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCC(C)(C)O1	ZINC000302404613	529932953	/nfs/dbraw/zinc/93/29/53/529932953.db2.gz	KNSOUOGCVVCBLN-LLVKDONJSA-N	0	0	307.350	2.324	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(F)F)C1CC1	ZINC000106896477	185460963	/nfs/dbraw/zinc/46/09/63/185460963.db2.gz	WKSBMDKQKGKPDU-UHFFFAOYSA-N	0	0	320.317	2.321	10	5		DEBERN
COCc1cncc(C(=O)NCc2cccc([N+](=O)[O-])c2C)c1	ZINC000616492501	362873831	/nfs/dbraw/zinc/87/38/31/362873831.db2.gz	NFRMHPQMEYUTPN-UHFFFAOYSA-N	0	0	315.329	2.375	10	5		DEBERN
CS(=O)(=O)c1ccc(Oc2cc(N)cc([N+](=O)[O-])c2)cc1	ZINC000147733117	186041411	/nfs/dbraw/zinc/04/14/11/186041411.db2.gz	OLSDAZSXXRBCSC-UHFFFAOYSA-N	0	0	308.315	2.373	10	5		DEBERN
Nc1ccc(C(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)cc1[N+](=O)[O-]	ZINC000152439873	186073440	/nfs/dbraw/zinc/07/34/40/186073440.db2.gz	WTWKEGKYKDYVPL-APHBMKBZSA-N	0	0	309.325	2.245	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1c[nH]c(=O)cc1C	ZINC000164226954	186152790	/nfs/dbraw/zinc/15/27/90/186152790.db2.gz	YFABMAYNBHLDNZ-UHFFFAOYSA-N	0	0	301.302	2.461	10	5		DEBERN
COC(=O)[C@H]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C[C@@H]1C	ZINC000191866223	186266624	/nfs/dbraw/zinc/26/66/24/186266624.db2.gz	AAMQYODUFLQSQH-FZMZJTMJSA-N	0	0	320.345	2.174	10	5		DEBERN
CO[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[C@H]1C	ZINC000188037023	186247481	/nfs/dbraw/zinc/24/74/81/186247481.db2.gz	ORXGGQCAARLNFX-IUODEOHRSA-N	0	0	321.377	2.280	10	5		DEBERN
CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000174946773	198406425	/nfs/dbraw/zinc/40/64/25/198406425.db2.gz	RRPZIHMXYPAFPW-LBPRGKRZSA-N	0	0	320.345	2.399	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](C)C1CC1	ZINC000030377471	354123799	/nfs/dbraw/zinc/12/37/99/354123799.db2.gz	NBUCDFWSLYDCFQ-SECBINFHSA-N	0	0	314.363	2.022	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1C	ZINC000045521161	354257510	/nfs/dbraw/zinc/25/75/10/354257510.db2.gz	AHPWDLXKKDBNHY-JTQLQIEISA-N	0	0	314.363	2.167	10	5		DEBERN
O=C(NCc1cn2cc(Cl)ccc2n1)c1ccc([N+](=O)[O-])o1	ZINC000044231775	354231761	/nfs/dbraw/zinc/23/17/61/354231761.db2.gz	LAWVOERWNRIFMW-UHFFFAOYSA-N	0	0	320.692	2.419	10	5		DEBERN
O=C(C1CCCCC1)N1CCN(c2ccncc2[N+](=O)[O-])CC1	ZINC000060375354	354612259	/nfs/dbraw/zinc/61/22/59/354612259.db2.gz	DMMDRMJZSJYAEY-UHFFFAOYSA-N	0	0	318.377	2.219	10	5		DEBERN
C[C@@H]1COC[C@H](C)N1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1	ZINC000077138228	355184037	/nfs/dbraw/zinc/18/40/37/355184037.db2.gz	NGMVQSCLACETSB-AOOOYVTPSA-N	0	0	303.318	2.326	10	5		DEBERN
CC(=O)c1ccc(N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c([N+](=O)[O-])c1	ZINC000078565569	355267834	/nfs/dbraw/zinc/26/78/34/355267834.db2.gz	LCUFELQNPAFBFN-GAJTVXKRSA-N	0	0	317.345	2.219	10	5		DEBERN
C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccncc1	ZINC000074825915	191367118	/nfs/dbraw/zinc/36/71/18/191367118.db2.gz	CAXVOCYZVJPZFM-SNVBAGLBSA-N	0	0	307.331	2.029	10	5		DEBERN
COc1cc(F)c([N+](=O)[O-])c(NC[C@@]2(O)CCSC2)c1	ZINC000092664820	355645045	/nfs/dbraw/zinc/64/50/45/355645045.db2.gz	RBGXHGWWBUMGRI-LBPRGKRZSA-N	0	0	302.327	2.022	10	5		DEBERN
CC(=O)OC[C@@H](C)Nc1ncc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000146131581	355907517	/nfs/dbraw/zinc/90/75/17/355907517.db2.gz	MUYNLXYPQIZWLV-ZCFIWIBFSA-N	0	0	307.228	2.372	10	5		DEBERN
CCOC(=O)CCCOc1cccc([N+](=O)[O-])c1NC(C)=O	ZINC000166838569	355976621	/nfs/dbraw/zinc/97/66/21/355976621.db2.gz	TYXMUHONXDXJEW-UHFFFAOYSA-N	0	0	310.306	2.275	10	5		DEBERN
COc1c(I)ccc([N+](=O)[O-])c1OC	ZINC000306556887	356404866	/nfs/dbraw/zinc/40/48/66/356404866.db2.gz	IMJNXASIGWGHSN-UHFFFAOYSA-N	0	0	309.059	2.217	10	5		DEBERN
C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cccc([N+](=O)[O-])c1	ZINC000081449343	192268891	/nfs/dbraw/zinc/26/88/91/192268891.db2.gz	ZXMXCNCZYFIXJU-SNVBAGLBSA-N	0	0	308.334	2.397	10	5		DEBERN
COc1cc(C(=O)NCCOCC2CCC2)ccc1[N+](=O)[O-]	ZINC000581471074	357191909	/nfs/dbraw/zinc/19/19/09/357191909.db2.gz	ODEGLWBHYKBPEY-UHFFFAOYSA-N	0	0	308.334	2.150	10	5		DEBERN
CC(=O)c1cc(N2CCC(OCCCO)CC2)ccc1[N+](=O)[O-]	ZINC000587995951	357386919	/nfs/dbraw/zinc/38/69/19/357386919.db2.gz	BHXRYMGCNLVARV-UHFFFAOYSA-N	0	0	322.361	2.165	10	5		DEBERN
CC(C)N(CCCn1cccc([N+](=O)[O-])c1=O)CC(F)(F)F	ZINC000180322103	199145521	/nfs/dbraw/zinc/14/55/21/199145521.db2.gz	GENWYWLIKWDNON-UHFFFAOYSA-N	0	0	321.299	2.419	10	5		DEBERN
CO[C@](C)(CO)CNc1ccc(Br)cc1[N+](=O)[O-]	ZINC000594590343	358298912	/nfs/dbraw/zinc/29/89/12/358298912.db2.gz	XUJXROMILFCGDV-NSHDSACASA-N	0	0	319.155	2.167	10	5		DEBERN
O=C(c1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1c1nc[nH]n1	ZINC000181194479	199263908	/nfs/dbraw/zinc/26/39/08/199263908.db2.gz	WMXGCPRINSUNLK-LBPRGKRZSA-N	0	0	301.306	2.080	10	5		DEBERN
O=[N+]([O-])c1cnc(N[C@H](CO)C2CCC2)c(Br)c1	ZINC000596324200	358668139	/nfs/dbraw/zinc/66/81/39/358668139.db2.gz	UWSOCBYYBCTYAD-SNVBAGLBSA-N	0	0	316.155	2.325	10	5		DEBERN
CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H](O)C(F)(F)C1	ZINC000596428577	358684908	/nfs/dbraw/zinc/68/49/08/358684908.db2.gz	ARRXOAUMWVHKKW-LBPRGKRZSA-N	0	0	300.261	2.004	10	5		DEBERN
CC(=O)N1CC[C@@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)C1	ZINC000598644988	359272782	/nfs/dbraw/zinc/27/27/82/359272782.db2.gz	CHEREHRBJVVIAQ-LLVKDONJSA-N	0	0	300.318	2.176	10	5		DEBERN
Cc1nc2cc(N3CC(O)(C4CC4)C3)c([N+](=O)[O-])cc2s1	ZINC000089667119	192838899	/nfs/dbraw/zinc/83/88/99/192838899.db2.gz	VTHSPVOQINJMHF-UHFFFAOYSA-N	0	0	305.359	2.474	10	5		DEBERN
C/C=C/C[C@H](CO)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000187140538	200067729	/nfs/dbraw/zinc/06/77/29/200067729.db2.gz	TWFUHDWZQYZGJO-VMZHVLLKSA-N	0	0	303.318	2.133	10	5		DEBERN
CO[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[C@@H]1C	ZINC000187779597	200155550	/nfs/dbraw/zinc/15/55/50/200155550.db2.gz	IHPIXBVTKPKCMO-TVQRCGJNSA-N	0	0	323.305	2.000	10	5		DEBERN
CO[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[C@H]1C	ZINC000187779580	200155745	/nfs/dbraw/zinc/15/57/45/200155745.db2.gz	IHPIXBVTKPKCMO-NOZJJQNGSA-N	0	0	323.305	2.000	10	5		DEBERN
CC[C@@H]1CN(c2ncc([N+](=O)[O-])s2)CCN1CC(F)F	ZINC000192517278	200892113	/nfs/dbraw/zinc/89/21/13/200892113.db2.gz	RSMPVPOUKVZTHO-MRVPVSSYSA-N	0	0	306.338	2.217	10	5		DEBERN
O=[N+]([O-])c1cc(Br)cnc1N[C@H]1CCC[C@H](O)C1	ZINC000610769551	361463879	/nfs/dbraw/zinc/46/38/79/361463879.db2.gz	NDBSOYUMKRCXFZ-IUCAKERBSA-N	0	0	316.155	2.468	10	5		DEBERN
O=C1[C@@H](Nc2ccc([N+](=O)[O-])nc2)CCN1C1CCCCC1	ZINC000610808452	361469919	/nfs/dbraw/zinc/46/99/19/361469919.db2.gz	RMTHSDQCRHTYNL-ZDUSSCGKSA-N	0	0	304.350	2.335	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2CC(=O)N(C3CC3)C2)n1	ZINC000611617492	361645788	/nfs/dbraw/zinc/64/57/88/361645788.db2.gz	CHOXGXUHEVQXKM-LLVKDONJSA-N	0	0	304.350	2.029	10	5		DEBERN
CCC(=O)c1ccc(N[C@H]2CCN(CC)C2=O)c([N+](=O)[O-])c1	ZINC000619794802	363877372	/nfs/dbraw/zinc/87/73/72/363877372.db2.gz	YLPJJHDBWGTXJW-LBPRGKRZSA-N	0	0	305.334	2.220	10	5		DEBERN
Cc1cnc(CNc2ncc([N+](=O)[O-])cc2Br)cn1	ZINC000093434087	193250836	/nfs/dbraw/zinc/25/08/36/193250836.db2.gz	ZRHNZPJHSIQBQY-UHFFFAOYSA-N	0	0	324.138	2.463	10	5		DEBERN
[NH3+][C@H](CCSCc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000093633087	193277232	/nfs/dbraw/zinc/27/72/32/193277232.db2.gz	LSPHFIPIBLOKCW-SECBINFHSA-N	0	0	304.755	2.283	10	5		DEBERN
COC(=O)C[C@@H](C)[S@@](=O)Cc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000093633830	193277745	/nfs/dbraw/zinc/27/77/45/193277745.db2.gz	WXXIRZAKRNGXSZ-ZPWHCFADSA-N	0	0	319.766	2.449	10	5		DEBERN
CC[C@@H](Oc1c(C)cc(Br)cc1[N+](=O)[O-])C(N)=O	ZINC000094296702	193356808	/nfs/dbraw/zinc/35/68/08/193356808.db2.gz	INEGJTMXVLJYAT-SECBINFHSA-N	0	0	317.139	2.308	10	5		DEBERN
CCOC(=O)[C@@H](N)CCSCc1ccc([N+](=O)[O-])c(F)c1	ZINC000094774021	193396436	/nfs/dbraw/zinc/39/64/36/193396436.db2.gz	DFUHIKCXLZPSCT-NSHDSACASA-N	0	0	316.354	2.248	10	5		DEBERN
CCCN(C1CC1)S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1C	ZINC000094780510	193397596	/nfs/dbraw/zinc/39/75/96/193397596.db2.gz	KXUVAPPWLIYIIU-UHFFFAOYSA-N	0	0	313.379	2.049	10	5		DEBERN
Cc1cc(N)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CCC(C)C	ZINC000094780614	193397865	/nfs/dbraw/zinc/39/78/65/193397865.db2.gz	GMVWOEVICVLLPY-UHFFFAOYSA-N	0	0	315.395	2.152	10	5		DEBERN
Cc1cc([N+](=O)[O-])cnc1N1CCC(c2cnn(C)c2)CC1	ZINC000264656848	204058068	/nfs/dbraw/zinc/05/80/68/204058068.db2.gz	KHGZLTBXWJEIJU-UHFFFAOYSA-N	0	0	301.350	2.416	10	5		DEBERN
CCCCOC(=O)CN1C(=O)CCc2cc([N+](=O)[O-])ccc21	ZINC000096541486	193677299	/nfs/dbraw/zinc/67/72/99/193677299.db2.gz	VXIJPKJRQLNICA-UHFFFAOYSA-N	0	0	306.318	2.217	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN3CCCC[C@H]3C2)c1	ZINC000266080041	205082887	/nfs/dbraw/zinc/08/28/87/205082887.db2.gz	UTMXTLRKQAHXHU-ZDUSSCGKSA-N	0	0	303.362	2.214	10	5		DEBERN
CN(Cc1ccc(Cl)cc1)C(=O)c1c([N+](=O)[O-])cnn1C	ZINC000160234069	197395009	/nfs/dbraw/zinc/39/50/09/197395009.db2.gz	RRVALFBBVBGMJQ-UHFFFAOYSA-N	0	0	308.725	2.254	10	5		DEBERN
Cn1c2ccc([N+](=O)[O-])cc2nc1CCN1CCCCC1=O	ZINC000020428213	182216293	/nfs/dbraw/zinc/21/62/93/182216293.db2.gz	BJZDWLRVRDKGSA-UHFFFAOYSA-N	0	0	302.334	2.037	10	5		DEBERN
COC(CNC(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1)OC	ZINC000040418054	183063521	/nfs/dbraw/zinc/06/35/21/183063521.db2.gz	YSIZBXDJCZKQDM-UHFFFAOYSA-N	0	0	323.132	2.250	10	5		DEBERN
O=[N+]([O-])c1c(-n2cnc3ccccc32)ncnc1N1CCCC1	ZINC000040609388	183108752	/nfs/dbraw/zinc/10/87/52/183108752.db2.gz	ZUGSLLNFYQZQJI-UHFFFAOYSA-N	0	0	310.317	2.324	10	5		DEBERN
Cc1ccc(CNc2[nH]cnc(=NN(C)C)c2[N+](=O)[O-])cc1	ZINC000040628780	183110530	/nfs/dbraw/zinc/11/05/30/183110530.db2.gz	DHYBGRCYQMHANT-UHFFFAOYSA-N	0	0	302.338	2.194	10	5		DEBERN
COCCN(c1nc(Cl)ccc1[N+](=O)[O-])[C@H](C)COC	ZINC000042612817	183291164	/nfs/dbraw/zinc/29/11/64/183291164.db2.gz	HSESVOJCOXQLEM-SECBINFHSA-N	0	0	303.746	2.131	10	5		DEBERN
Cc1cc(CSCc2ccc(C(N)=O)cc2[N+](=O)[O-])no1	ZINC000105626120	194116185	/nfs/dbraw/zinc/11/61/85/194116185.db2.gz	LARVKORFFGNJQR-UHFFFAOYSA-N	0	0	307.331	2.424	10	5		DEBERN
CC[C@@H]1CCCN1S(=O)(=O)c1ccc(NC)cc1[N+](=O)[O-]	ZINC000050630635	183791403	/nfs/dbraw/zinc/79/14/03/183791403.db2.gz	DEZNZXKPBMJISU-LLVKDONJSA-N	0	0	313.379	2.200	10	5		DEBERN
CCCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC	ZINC000050631949	183791657	/nfs/dbraw/zinc/79/16/57/183791657.db2.gz	BWMPIBCXOQBUAW-UHFFFAOYSA-N	0	0	301.368	2.105	10	5		DEBERN
CCCN(C(C)C)S(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F	ZINC000050652506	183794585	/nfs/dbraw/zinc/79/45/85/183794585.db2.gz	MOOUIGWHAWOLTQ-UHFFFAOYSA-N	0	0	319.358	2.125	10	5		DEBERN
CCNc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CC1(C)C	ZINC000050671397	183797287	/nfs/dbraw/zinc/79/72/87/183797287.db2.gz	UKWIZQKWNCZIND-LBPRGKRZSA-N	0	0	313.379	2.103	10	5		DEBERN
NNc1ccnc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1	ZINC000051124452	183816528	/nfs/dbraw/zinc/81/65/28/183816528.db2.gz	NRHCOBAXZJYWBA-UHFFFAOYSA-N	0	0	307.697	2.181	10	5		DEBERN
O=C1CC[C@H](Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CN1	ZINC000111021639	194384136	/nfs/dbraw/zinc/38/41/36/194384136.db2.gz	RPABJDBVHQXAKO-ZETCQYMHSA-N	0	0	303.240	2.304	10	5		DEBERN
CN(CC1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000058211386	184088677	/nfs/dbraw/zinc/08/86/77/184088677.db2.gz	SPNIONQRQLOBBG-UHFFFAOYSA-N	0	0	304.393	2.467	10	5		DEBERN
O=[N+]([O-])c1cc2nc(CCCO)[nH]c2c(Br)c1	ZINC000059098878	184134204	/nfs/dbraw/zinc/13/42/04/184134204.db2.gz	DBBHHWUYCDYLMN-UHFFFAOYSA-N	0	0	300.112	2.159	10	5		DEBERN
CNc1ccc(S(=O)(=O)N2CCCC2(C)C)cc1[N+](=O)[O-]	ZINC000063074918	184269290	/nfs/dbraw/zinc/26/92/90/184269290.db2.gz	QOHLILVGRIFCPV-UHFFFAOYSA-N	0	0	313.379	2.200	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)NC(C2CC2)C2CC2)s1	ZINC000064245046	184293332	/nfs/dbraw/zinc/29/33/32/184293332.db2.gz	ASVPKNSQSIINBT-UHFFFAOYSA-N	0	0	302.377	2.123	10	5		DEBERN
COC(=O)[C@@H]1CCCC[C@H]1CNC(=O)c1ccccc1[N+](=O)[O-]	ZINC000116815123	194773599	/nfs/dbraw/zinc/77/35/99/194773599.db2.gz	FEZFBMOZABAXKD-NWDGAFQWSA-N	0	0	320.345	2.304	10	5		DEBERN
CCOC(=O)C(C)(C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1	ZINC000120013166	195080864	/nfs/dbraw/zinc/08/08/64/195080864.db2.gz	RCMKSQKJGXJSJY-UHFFFAOYSA-N	0	0	314.725	2.320	10	5		DEBERN
COc1cc(NCCC2(C)OCCO2)c(F)cc1[N+](=O)[O-]	ZINC000302174932	533028878	/nfs/dbraw/zinc/02/88/78/533028878.db2.gz	WOZLLSKECLIJLS-UHFFFAOYSA-N	0	0	300.286	2.308	10	5		DEBERN
Cc1cc([N+](=O)[O-])c(Cl)cc1N[C@@H]1C=CS(=O)(=O)C1	ZINC000159219261	197337173	/nfs/dbraw/zinc/33/71/73/197337173.db2.gz	PXDMDBVQJBZAMD-MRVPVSSYSA-N	0	0	302.739	2.279	10	5		DEBERN
O=[N+]([O-])c1ccc(CO)cc1N1CCN(c2cccs2)CC1	ZINC000302073054	285116357	/nfs/dbraw/zinc/11/63/57/285116357.db2.gz	WMZMCDIJLWNBRV-UHFFFAOYSA-N	0	0	319.386	2.475	10	5		DEBERN
CNc1ccc([N+](=O)[O-])c(Sc2nnc3ccccn32)n1	ZINC000158901461	197309529	/nfs/dbraw/zinc/30/95/29/197309529.db2.gz	SJHVIXHVAFAUND-UHFFFAOYSA-N	0	0	302.319	2.225	10	5		DEBERN
Cc1cc([N+](=O)[O-])c(Cl)cc1N[C@@H]1CCC(=O)N(C)C1=O	ZINC000157700818	197208847	/nfs/dbraw/zinc/20/88/47/197208847.db2.gz	TWCIANPATAFIGZ-SECBINFHSA-N	0	0	311.725	2.116	10	5		DEBERN
CNc1sc(S(=O)(=O)N[C@@H](C)C(C)C)cc1[N+](=O)[O-]	ZINC000157556365	197196324	/nfs/dbraw/zinc/19/63/24/197196324.db2.gz	DTRDPIABFSCPSJ-ZETCQYMHSA-N	0	0	307.397	2.021	10	5		DEBERN
CNc1nnc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1	ZINC000157375008	197182732	/nfs/dbraw/zinc/18/27/32/197182732.db2.gz	KEOLEPSJHIDYGI-UHFFFAOYSA-N	0	0	313.726	2.394	10	5		DEBERN
Cc1nc(CN(C)C(=O)c2cccc(N)c2[N+](=O)[O-])cs1	ZINC000156953607	197152413	/nfs/dbraw/zinc/15/24/13/197152413.db2.gz	MQEZUAZAIQQWHB-UHFFFAOYSA-N	0	0	306.347	2.214	10	5		DEBERN
CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H](C)CO	ZINC000156837611	197143896	/nfs/dbraw/zinc/14/38/96/197143896.db2.gz	LWTCKPFWHSPVKY-NXEZZACHSA-N	0	0	312.391	2.454	10	5		DEBERN
COc1cnccc1[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000189659411	533142586	/nfs/dbraw/zinc/14/25/86/533142586.db2.gz	GSURWGNFKZUFPT-NSHDSACASA-N	0	0	315.329	2.418	10	5		DEBERN
C[C@@H]1CN(C)C[C@@H](C)N1C(=O)CSc1ccc([N+](=O)[O-])cc1	ZINC000155179791	197029254	/nfs/dbraw/zinc/02/92/54/197029254.db2.gz	DVAXQSYOVNOUBW-VXGBXAGGSA-N	0	0	323.418	2.238	10	5		DEBERN
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000120879324	195256268	/nfs/dbraw/zinc/25/62/68/195256268.db2.gz	LKYDUNKZFUZASN-CYBMUJFWSA-N	0	0	321.377	2.151	10	5		DEBERN
O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1cscn1	ZINC000122029417	195392350	/nfs/dbraw/zinc/39/23/50/195392350.db2.gz	XAPCXNODQQHFAL-UHFFFAOYSA-N	0	0	316.342	2.392	10	5		DEBERN
C[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@@H]1CCCO1	ZINC000123142666	195547976	/nfs/dbraw/zinc/54/79/76/195547976.db2.gz	WAJJQNPJVVTWDV-HZMBPMFUSA-N	0	0	315.329	2.440	10	5		DEBERN
CC(C)[C@@H]1C[C@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000186649404	144987120	/nfs/dbraw/zinc/98/71/20/144987120.db2.gz	IIPOLIGNSSHFTF-FPMFFAJLSA-N	0	0	318.377	2.295	10	5		DEBERN
CC[C@H](NC(=O)CCCCC(N)=O)c1cccc([N+](=O)[O-])c1	ZINC000187616105	145001230	/nfs/dbraw/zinc/00/12/30/145001230.db2.gz	PXYDVQVDLFBXIW-ZDUSSCGKSA-N	0	0	307.350	2.208	10	5		DEBERN
Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](c2ccnc(N)n2)C1	ZINC000192757720	145078261	/nfs/dbraw/zinc/07/82/61/145078261.db2.gz	STMLPIOZWXWOIK-NSHDSACASA-N	0	0	314.349	2.054	10	5		DEBERN
C/C(=C/c1nc(C[S@](C)=O)no1)c1ccc([N+](=O)[O-])cc1	ZINC000356962220	147011790	/nfs/dbraw/zinc/01/17/90/147011790.db2.gz	LKDGDSVEUSMINP-RVFJIUOTSA-N	0	0	307.331	2.417	10	5		DEBERN
C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(C)(C)C	ZINC000112363409	401741425	/nfs/dbraw/zinc/74/14/25/401741425.db2.gz	KTWCUZRNBKYZDI-MRVPVSSYSA-N	0	0	304.343	2.447	10	5		DEBERN
CC(=O)NC(C)(C)c1noc(-c2cc([N+](=O)[O-])c(C)s2)n1	ZINC000113755923	401785454	/nfs/dbraw/zinc/78/54/54/401785454.db2.gz	XPYUIKYJRCCJTO-UHFFFAOYSA-N	0	0	310.335	2.386	10	5		DEBERN
Cc1cc(=O)n(Cc2nc3cc(F)ccc3o2)cc1[N+](=O)[O-]	ZINC000128626896	401785511	/nfs/dbraw/zinc/78/55/11/401785511.db2.gz	ZXZKYYFICXRIHW-UHFFFAOYSA-N	0	0	303.249	2.394	10	5		DEBERN
CSCC[C@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000076312706	401790415	/nfs/dbraw/zinc/79/04/15/401790415.db2.gz	VVQIIJGDSRVNBT-QMMMGPOBSA-N	0	0	324.449	2.418	10	5		DEBERN
COc1ccc(CNC(=O)c2cc([N+](=O)[O-])cnc2C)cc1	ZINC000045573681	401958637	/nfs/dbraw/zinc/95/86/37/401958637.db2.gz	GFMKMADASDXXJM-UHFFFAOYSA-N	0	0	301.302	2.237	10	5		DEBERN
Cc1ccccc1C(=O)NCC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000046868871	401974337	/nfs/dbraw/zinc/97/43/37/401974337.db2.gz	GHTVXUMDYSTPOL-UHFFFAOYSA-N	0	0	313.313	2.272	10	5		DEBERN
CCc1noc(CC)c1CNC(=O)c1cc([N+](=O)[O-])cnc1C	ZINC000122712967	402091460	/nfs/dbraw/zinc/09/14/60/402091460.db2.gz	HMENJOWKQQMPFQ-UHFFFAOYSA-N	0	0	318.333	2.341	10	5		DEBERN
CC(C)(C)OC(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1	ZINC000152759427	402107034	/nfs/dbraw/zinc/10/70/34/402107034.db2.gz	KLDJCXHTNSORNK-UHFFFAOYSA-N	0	0	304.306	2.190	10	5		DEBERN
C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCCO1	ZINC000152879713	402114470	/nfs/dbraw/zinc/11/44/70/402114470.db2.gz	JBFWCRLOXLYNJT-MEBBXXQBSA-N	0	0	317.345	2.302	10	5		DEBERN
CN(Cc1ccc(F)cc1Cl)C(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000153427306	402144626	/nfs/dbraw/zinc/14/46/26/402144626.db2.gz	ABOYICRVPGEVBF-UHFFFAOYSA-N	0	0	312.688	2.383	10	5		DEBERN
COC[C@H](C)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl	ZINC000103428869	402187278	/nfs/dbraw/zinc/18/72/78/402187278.db2.gz	UESWRYLRNQVETE-VIFPVBQESA-N	0	0	300.742	2.489	10	5		DEBERN
Cc1c(C(=O)Nc2cnc(N(C)C)nc2)cccc1[N+](=O)[O-]	ZINC000124762181	402196169	/nfs/dbraw/zinc/19/61/69/402196169.db2.gz	OBMMVDNCMLZAQY-UHFFFAOYSA-N	0	0	301.306	2.012	10	5		DEBERN
Cn1nccc1CNc1ncc(Br)cc1[N+](=O)[O-]	ZINC000104074421	402196869	/nfs/dbraw/zinc/19/68/69/402196869.db2.gz	MWZWDYXGHXZNCG-UHFFFAOYSA-N	0	0	312.127	2.098	10	5		DEBERN
Cc1cnc(CCN(C)C(=O)c2cc([N+](=O)[O-])cnc2C)s1	ZINC000124117445	402164946	/nfs/dbraw/zinc/16/49/46/402164946.db2.gz	UGBYTRAALUACBQ-UHFFFAOYSA-N	0	0	320.374	2.378	10	5		DEBERN
C[NH+](C)CC1CCC(NC(=O)c2cccc([N+](=O)[O-])c2[O-])CC1	ZINC000124314786	402174551	/nfs/dbraw/zinc/17/45/51/402174551.db2.gz	ODJHQJSGMNJTCF-UHFFFAOYSA-N	0	0	321.377	2.151	10	5		DEBERN
CCCCOC(=O)CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000106826967	402217036	/nfs/dbraw/zinc/21/70/36/402217036.db2.gz	MGKXZWHGHHECLK-UHFFFAOYSA-N	0	0	319.317	2.149	10	5		DEBERN
C[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)c1ccc(F)cc1F	ZINC000125335382	402226448	/nfs/dbraw/zinc/22/64/48/402226448.db2.gz	SJWDVKOJAOBICW-MRVPVSSYSA-N	0	0	324.287	2.140	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(Cc2nc(CCC(C)C)no2)c1=O	ZINC000155891852	402269585	/nfs/dbraw/zinc/26/95/85/402269585.db2.gz	ZAHJEZRUYNDWES-UHFFFAOYSA-N	0	0	306.322	2.085	10	5		DEBERN
Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](C(=O)OC(C)(C)C)C1	ZINC000176957235	402354083	/nfs/dbraw/zinc/35/40/83/402354083.db2.gz	LSRBORXVJSIHEF-LLVKDONJSA-N	0	0	307.350	2.466	10	5		DEBERN
CC[C@@H]1CCCC[C@H]1N(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000160904970	402364582	/nfs/dbraw/zinc/36/45/82/402364582.db2.gz	KHNBYYSBMHHKSU-TZMCWYRMSA-N	0	0	321.377	2.184	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(N2CCCN(c3ccccn3)CC2)n1	ZINC000186024498	402397198	/nfs/dbraw/zinc/39/71/98/402397198.db2.gz	KHXCAYSDYCFVCY-UHFFFAOYSA-N	0	0	313.361	2.410	10	5		DEBERN
COC(=O)[C@@]1(C)CCCN1CCOc1ccccc1[N+](=O)[O-]	ZINC000186347594	402423362	/nfs/dbraw/zinc/42/33/62/402423362.db2.gz	BMVCNQTVVKEOLH-OAHLLOKOSA-N	0	0	308.334	2.001	10	5		DEBERN
Cc1c(NC(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)cccc1[N+](=O)[O-]	ZINC000163117441	402441634	/nfs/dbraw/zinc/44/16/34/402441634.db2.gz	YBLRRNTWCNWOOY-MNOVXSKESA-N	0	0	320.349	2.069	10	5		DEBERN
CC1(C)CC[C@@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])O1	ZINC000187358255	402495788	/nfs/dbraw/zinc/49/57/88/402495788.db2.gz	URRQASIHVXOUTN-LBPRGKRZSA-N	0	0	322.361	2.438	10	5		DEBERN
O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1Cc2ccccc2[C@@H]1O	ZINC000178538669	402509389	/nfs/dbraw/zinc/50/93/89/402509389.db2.gz	BMDIMQBYVYLPGS-ZHDRDSPKSA-N	0	0	324.336	2.383	10	5		DEBERN
C[C@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCCO1	ZINC000171010044	402549231	/nfs/dbraw/zinc/54/92/31/402549231.db2.gz	KNJHHCCEVVCIBR-JTQLQIEISA-N	0	0	303.318	2.327	10	5		DEBERN
CO[C@@H]1C[C@@H](c2nc(C)no2)N(c2ccc(F)cc2[N+](=O)[O-])C1	ZINC000190088739	402575000	/nfs/dbraw/zinc/57/50/00/402575000.db2.gz	CYTWLAUFIZNTNC-MFKMUULPSA-N	0	0	322.296	2.392	10	5		DEBERN
CO[C@@H]1C[C@H](c2nc(C)no2)N(c2ccccc2[N+](=O)[O-])C1	ZINC000190089579	402575214	/nfs/dbraw/zinc/57/52/14/402575214.db2.gz	NMQAMIXRLVZXOR-ZWNOBZJWSA-N	0	0	304.306	2.253	10	5		DEBERN
CCOc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2CO)cc1[N+](=O)[O-]	ZINC000179242344	402583007	/nfs/dbraw/zinc/58/30/07/402583007.db2.gz	BFQNOTQFINKXKV-CHWSQXEVSA-N	0	0	322.361	2.274	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])cc1F)N1CCCC[C@H]1c1nc[nH]n1	ZINC000179357501	402586535	/nfs/dbraw/zinc/58/65/35/402586535.db2.gz	UDTOSTZRPZHGGN-LBPRGKRZSA-N	0	0	319.296	2.219	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1[C@H](C)C[C@@H](O)C[C@@H]1C	ZINC000248836925	402610601	/nfs/dbraw/zinc/61/06/01/402610601.db2.gz	NVVMXRMAARJJKD-DABQJJPHSA-N	0	0	321.377	2.075	10	5		DEBERN
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCOC1	ZINC000171694758	402611082	/nfs/dbraw/zinc/61/10/82/402611082.db2.gz	RWGJSYSVTJOJMW-QWRGUYRKSA-N	0	0	310.375	2.371	10	5		DEBERN
O=C(COc1ccccc1[N+](=O)[O-])NCc1ccc(Cl)cn1	ZINC000181631086	402652038	/nfs/dbraw/zinc/65/20/38/402652038.db2.gz	SKLAZMWURPTPSO-UHFFFAOYSA-N	0	0	321.720	2.338	10	5		DEBERN
CCCc1cc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)n[nH]1	ZINC000181724325	402655342	/nfs/dbraw/zinc/65/53/42/402655342.db2.gz	UCHPHFPPBPJVIZ-UHFFFAOYSA-N	0	0	318.289	2.251	10	5		DEBERN
Nc1c(C(=O)NCc2ccc(Cl)cn2)cccc1[N+](=O)[O-]	ZINC000182162486	402668925	/nfs/dbraw/zinc/66/89/25/402668925.db2.gz	GKWGJVWIQQMHLZ-UHFFFAOYSA-N	0	0	306.709	2.155	10	5		DEBERN
COc1ccc(S(=O)(=O)NC[C@@H](C)C(C)C)c([N+](=O)[O-])c1	ZINC000172666642	402669771	/nfs/dbraw/zinc/66/97/71/402669771.db2.gz	GXLBVHBSRPCNNC-SNVBAGLBSA-N	0	0	316.379	2.174	10	5		DEBERN
C[C@@H](O)CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000183073313	402736480	/nfs/dbraw/zinc/73/64/80/402736480.db2.gz	BJHZLGVFYOGMGR-MRVPVSSYSA-N	0	0	318.782	2.227	10	5		DEBERN
Nc1nccc([C@H]2CCCN(c3ccc(F)cc3[N+](=O)[O-])C2)n1	ZINC000192757347	402748025	/nfs/dbraw/zinc/74/80/25/402748025.db2.gz	FGFJNLHAZYHDSR-JTQLQIEISA-N	0	0	317.324	2.490	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCSCCCO	ZINC000183221048	402748277	/nfs/dbraw/zinc/74/82/77/402748277.db2.gz	JXJPYBZGKHPRLA-QXMHVHEDSA-N	0	0	324.402	2.230	10	5		DEBERN
O=C(Nc1ccncc1[N+](=O)[O-])N1CCCC[C@@H]1c1cn[nH]c1	ZINC000183443790	402768307	/nfs/dbraw/zinc/76/83/07/402768307.db2.gz	ZUCRYGGOWKGOEH-GFCCVEGCSA-N	0	0	316.321	2.472	10	5		DEBERN
CCCCOC[C@H](O)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000193254803	402768852	/nfs/dbraw/zinc/76/88/52/402768852.db2.gz	WQODFKAVYYOHCS-CQSZACIVSA-N	0	0	320.349	2.031	10	5		DEBERN
CC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCS1	ZINC000174046015	402724948	/nfs/dbraw/zinc/72/49/48/402724948.db2.gz	ZDYIFUPREPVUFP-MRVPVSSYSA-N	0	0	322.433	2.172	10	5		DEBERN
CC(=O)N(C)c1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1	ZINC000175232155	402789964	/nfs/dbraw/zinc/78/99/64/402789964.db2.gz	CKSMSEOZRJFNBA-UHFFFAOYSA-N	0	0	303.274	2.423	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN2CCCC[C@H]2C1	ZINC000194851071	402818629	/nfs/dbraw/zinc/81/86/29/402818629.db2.gz	WFDGELALICAPEG-AWEZNQCLSA-N	0	0	303.362	2.214	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCOC1CCCC1	ZINC000195377527	402843801	/nfs/dbraw/zinc/84/38/01/402843801.db2.gz	XLVWNKBCZMEOOP-UHFFFAOYSA-N	0	0	307.350	2.377	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN2CCCC[C@@H]2C1	ZINC000195050839	402828536	/nfs/dbraw/zinc/82/85/36/402828536.db2.gz	HRYCVXBGHTTXBY-CQSZACIVSA-N	0	0	303.362	2.214	10	5		DEBERN
COCc1nc2n(n1)CCC[C@H]2Nc1ccc([N+](=O)[O-])cc1	ZINC000268419643	403081717	/nfs/dbraw/zinc/08/17/17/403081717.db2.gz	WTAKJZNDGAGDQN-GFCCVEGCSA-N	0	0	303.322	2.280	10	5		DEBERN
CC(=O)c1ccc(NCCCC[NH+]2CCOCC2)c([N+](=O)[O-])c1	ZINC000298710937	403445161	/nfs/dbraw/zinc/44/51/61/403445161.db2.gz	KTLKUSHOVZSTTP-UHFFFAOYSA-N	0	0	321.377	2.322	10	5		DEBERN
C[C@H](Cc1cccc(F)c1)Nc1ncc([N+](=O)[O-])cc1C(N)=O	ZINC000301276780	403609270	/nfs/dbraw/zinc/60/92/70/403609270.db2.gz	JAYHDPIUOUAOOI-SECBINFHSA-N	0	0	318.308	2.271	10	5		DEBERN
COC(=O)c1cc(NC[C@@](C)(O)c2ccco2)ccc1[N+](=O)[O-]	ZINC000301426679	403628530	/nfs/dbraw/zinc/62/85/30/403628530.db2.gz	PDEQKZDDWGZJPY-OAHLLOKOSA-N	0	0	320.301	2.294	10	5		DEBERN
C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)Nc1ccccc1	ZINC000301540924	403644475	/nfs/dbraw/zinc/64/44/75/403644475.db2.gz	CFQQBWMNNSOUIF-JTQLQIEISA-N	0	0	315.333	2.001	10	5		DEBERN
C[C@@H]1CCOCCN1C(=O)c1cc(F)c([N+](=O)[O-])cc1F	ZINC000375004998	404715570	/nfs/dbraw/zinc/71/55/70/404715570.db2.gz	LQKGMIZJFZBSSE-MRVPVSSYSA-N	0	0	300.261	2.124	10	5		DEBERN
Cn1c(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)ccc1[N+](=O)[O-]	ZINC000407961352	405076302	/nfs/dbraw/zinc/07/63/02/405076302.db2.gz	DKEAGIMOSBVULT-YRGRVCCFSA-N	0	0	321.377	2.089	10	5		DEBERN
Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](C(=O)N2CCCC2)C1	ZINC000408123489	405116245	/nfs/dbraw/zinc/11/62/45/405116245.db2.gz	HHBGIANXUKMKMO-ZDUSSCGKSA-N	0	0	318.377	2.137	10	5		DEBERN
Cc1ccc(S(=O)(=O)N2CCSC[C@H]2C)c([N+](=O)[O-])c1	ZINC000408205828	405138240	/nfs/dbraw/zinc/13/82/40/405138240.db2.gz	YYTJJUXRTMQNDW-SNVBAGLBSA-N	0	0	316.404	2.029	10	5		DEBERN
COc1cccc(C(=O)NCCOCC2CCC2)c1[N+](=O)[O-]	ZINC000559610165	405746458	/nfs/dbraw/zinc/74/64/58/405746458.db2.gz	YAPLKNRSPXCLCL-UHFFFAOYSA-N	0	0	308.334	2.150	10	5		DEBERN
NC(=O)c1ccc(Br)c([N+](=O)[O-])c1OC(F)F	ZINC000575682807	406818001	/nfs/dbraw/zinc/81/80/01/406818001.db2.gz	CPBOGWITHGZLSM-UHFFFAOYSA-N	0	0	311.038	2.058	10	5		DEBERN
CCOC(=O)Cc1cc(OC)cc(Br)c1[N+](=O)[O-]	ZINC000575699109	406819913	/nfs/dbraw/zinc/81/99/13/406819913.db2.gz	DNKRJGLVGZTQMB-UHFFFAOYSA-N	0	0	318.123	2.472	10	5		DEBERN
COC(=O)c1c(I)c(C)ccc1[N+](=O)[O-]	ZINC000575715366	406822958	/nfs/dbraw/zinc/82/29/58/406822958.db2.gz	ZDTFXBBOCOOGQN-UHFFFAOYSA-N	0	0	321.070	2.294	10	5		DEBERN
COc1cc(C=O)c(I)c([N+](=O)[O-])c1	ZINC000575727302	406825390	/nfs/dbraw/zinc/82/53/90/406825390.db2.gz	FDWRYHCMNVCAMS-UHFFFAOYSA-N	0	0	307.043	2.021	10	5		DEBERN
C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1COc2ccccc21	ZINC000129051458	196014899	/nfs/dbraw/zinc/01/48/99/196014899.db2.gz	OGSIZASSTWFLPQ-ONGXEEELSA-N	0	0	302.286	2.482	10	5		DEBERN
CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H](C(C)(C)C)[C@H](O)C1	ZINC000571594915	292558782	/nfs/dbraw/zinc/55/87/82/292558782.db2.gz	UBMBBPVNMSVRHJ-NWDGAFQWSA-N	0	0	310.398	2.353	10	5		DEBERN
CC(C)[C@@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131168621	196146832	/nfs/dbraw/zinc/14/68/32/196146832.db2.gz	RPHQCEYKJPFQJK-SECBINFHSA-N	0	0	304.343	2.399	10	5		DEBERN
CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)CCCC1	ZINC000131196886	196148226	/nfs/dbraw/zinc/14/82/26/196148226.db2.gz	AIXMMNYTKNMADA-UHFFFAOYSA-N	0	0	302.327	2.345	10	5		DEBERN
CCNc1cc(S(=O)(=O)NCCC(C)C)ccc1[N+](=O)[O-]	ZINC000131592847	196183031	/nfs/dbraw/zinc/18/30/31/196183031.db2.gz	WFPDZLGXSOQYQE-UHFFFAOYSA-N	0	0	315.395	2.351	10	5		DEBERN
CCC(CC)NS(=O)(=O)c1ccc([N+](=O)[O-])c(NC)c1	ZINC000131730813	196194635	/nfs/dbraw/zinc/19/46/35/196194635.db2.gz	YVDHNFGNLOZIAP-UHFFFAOYSA-N	0	0	301.368	2.103	10	5		DEBERN
CN(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1	ZINC000131740903	196195514	/nfs/dbraw/zinc/19/55/14/196195514.db2.gz	MQFNUYFKQOGNAM-UHFFFAOYSA-N	0	0	307.331	2.002	10	5		DEBERN
CCNc1cc(S(=O)(=O)N2CCCCC2)ccc1[N+](=O)[O-]	ZINC000131824051	196202344	/nfs/dbraw/zinc/20/23/44/196202344.db2.gz	JSNMUNCPDHGMAV-UHFFFAOYSA-N	0	0	313.379	2.201	10	5		DEBERN
C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])C1	ZINC000131955525	196213198	/nfs/dbraw/zinc/21/31/98/196213198.db2.gz	SMFUMDZAIVKQAK-WCBMZHEXSA-N	0	0	302.327	2.201	10	5		DEBERN
CCCC[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(NC)c1	ZINC000132395453	196252562	/nfs/dbraw/zinc/25/25/62/196252562.db2.gz	DFGXNHUOBASHJF-SNVBAGLBSA-N	0	0	315.395	2.494	10	5		DEBERN
CC[C@H]1CC[C@@H](C)N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1N	ZINC000136513848	196539408	/nfs/dbraw/zinc/53/94/08/196539408.db2.gz	GTBQPFFMBGITOQ-ZJUUUORDSA-N	0	0	313.379	2.129	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(OC)cc(OC)c2)n1	ZINC000191452966	225109943	/nfs/dbraw/zinc/10/99/43/225109943.db2.gz	MSYAGVDVQNCWBQ-UHFFFAOYSA-N	0	0	320.305	2.081	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)nc(C(C)C)n2)n1	ZINC000191577993	225113329	/nfs/dbraw/zinc/11/33/29/225113329.db2.gz	GDZVVDSUCJNUQO-UHFFFAOYSA-N	0	0	318.337	2.285	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCc2cc(C)cc(OC)c2)n1	ZINC000191683673	225114880	/nfs/dbraw/zinc/11/48/80/225114880.db2.gz	CLUWQNJETLGJPD-UHFFFAOYSA-N	0	0	318.333	2.058	10	5		DEBERN
Nc1c(C(=O)NCCc2ccsc2)cc(F)cc1[N+](=O)[O-]	ZINC000193829150	225169234	/nfs/dbraw/zinc/16/92/34/225169234.db2.gz	AHJNODCRZVGZDI-UHFFFAOYSA-N	0	0	309.322	2.350	10	5		DEBERN
C[C@](O)(CNc1cc(CO)ccc1[N+](=O)[O-])c1cccs1	ZINC000301983731	230017879	/nfs/dbraw/zinc/01/78/79/230017879.db2.gz	ATUUIRQBHRABLB-AWEZNQCLSA-N	0	0	308.359	2.468	10	5		DEBERN
Nc1nccc(C(=O)N2CCC3(C2)CCCCC3)c1[N+](=O)[O-]	ZINC000547731956	424867475	/nfs/dbraw/zinc/86/74/75/424867475.db2.gz	LKQHJCXUANSGPD-UHFFFAOYSA-N	0	0	304.350	2.368	10	5		DEBERN
COc1ccc(OCc2nnc(C3CC3)n2C)c([N+](=O)[O-])c1	ZINC000194668529	268553355	/nfs/dbraw/zinc/55/33/55/268553355.db2.gz	ZWGYCHHHZIUFPX-UHFFFAOYSA-N	0	0	304.306	2.188	10	5		DEBERN
Cn1ccc2ccc(Nc3ncc([N+](=O)[O-])cc3C(N)=O)cc21	ZINC000302703872	268825427	/nfs/dbraw/zinc/82/54/27/268825427.db2.gz	XYRAOQPAYNIEGE-UHFFFAOYSA-N	0	0	311.301	2.324	10	5		DEBERN
O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[C@@H](C3CC3)C2)c1	ZINC000374301151	269092149	/nfs/dbraw/zinc/09/21/49/269092149.db2.gz	HZWRAZNOCNBSJV-CYBMUJFWSA-N	0	0	310.375	2.157	10	5		DEBERN
CC(=O)c1ccc(N2CCC(n3cncn3)CC2)c([N+](=O)[O-])c1	ZINC000301090147	275503717	/nfs/dbraw/zinc/50/37/17/275503717.db2.gz	HLCNHDSUOYKDAQ-UHFFFAOYSA-N	0	0	315.333	2.230	10	5		DEBERN
CC(C)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1	ZINC000182909293	276015220	/nfs/dbraw/zinc/01/52/20/276015220.db2.gz	QVJJLPNUGZLCFZ-LBPRGKRZSA-N	0	0	321.377	2.206	10	5		DEBERN
CC(C)(O)/C=C1/Oc2ccc([N+](=O)[O-])cc2[C@H]1N1CCOCC1	ZINC000033143556	277310306	/nfs/dbraw/zinc/31/03/06/277310306.db2.gz	AOKGEQVWVWNEPJ-YVGNARHYSA-N	0	0	320.345	2.015	10	5		DEBERN
COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])cc1	ZINC000191169419	277373884	/nfs/dbraw/zinc/37/38/84/277373884.db2.gz	CVUMVJYMRITGSG-YUELXQCFSA-N	0	0	304.346	2.368	10	5		DEBERN
CCN(CCC(=O)OC)C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1	ZINC000183006145	279174782	/nfs/dbraw/zinc/17/47/82/279174782.db2.gz	SPTVKKZHWCWASP-VAWYXSNFSA-N	0	0	320.345	2.410	10	5		DEBERN
CCOC(=O)N[C@H]1CCCN(c2cc(F)ccc2[N+](=O)[O-])C1	ZINC000302789905	279579938	/nfs/dbraw/zinc/57/99/38/279579938.db2.gz	FSKKOSWJJXUBGD-NSHDSACASA-N	0	0	311.313	2.449	10	5		DEBERN
C[C@H]1[C@H](C(F)(F)F)CCN1c1ccc2ncc([N+](=O)[O-])n2n1	ZINC000359857751	280109060	/nfs/dbraw/zinc/10/90/60/280109060.db2.gz	QOWOGYUHOZASBT-JGVFFNPUSA-N	0	0	315.255	2.415	10	5		DEBERN
COc1cccc([C@@H](O)CNc2cc(CO)ccc2[N+](=O)[O-])c1	ZINC000301983210	533724487	/nfs/dbraw/zinc/72/44/87/533724487.db2.gz	ASVLQYXEGDVHOJ-INIZCTEOSA-N	0	0	318.329	2.241	10	5		DEBERN
COC(=O)c1cc(N2CCC[C@H]2C(C)(C)O)cc(C)c1[N+](=O)[O-]	ZINC000302160377	533852421	/nfs/dbraw/zinc/85/24/21/533852421.db2.gz	YBJXCEPDLZKJOM-ZDUSSCGKSA-N	0	0	322.361	2.430	10	5		DEBERN
COC(=O)c1cc(C)nc(N2CCCOC(C)(C)C2)c1[N+](=O)[O-]	ZINC000367727994	521823183	/nfs/dbraw/zinc/82/31/83/521823183.db2.gz	KJVYKOZKPDULDR-UHFFFAOYSA-N	0	0	323.349	2.090	10	5		DEBERN
CC[C@@H](NC(=O)C[C@H]1COC(=O)C1)c1cccc([N+](=O)[O-])c1	ZINC000124656980	522697015	/nfs/dbraw/zinc/69/70/15/522697015.db2.gz	SGTHTZGFPHIRPG-ZWNOBZJWSA-N	0	0	306.318	2.115	10	5		DEBERN
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCC12CCC2	ZINC000441540881	534838103	/nfs/dbraw/zinc/83/81/03/534838103.db2.gz	AITPKZLHAYWCEU-UHFFFAOYSA-N	0	0	323.736	2.342	10	5		DEBERN
C[C@H](C(=O)N1CCOCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1F	ZINC000363808757	525987292	/nfs/dbraw/zinc/98/72/92/525987292.db2.gz	AJEMUCNULIIPIN-QWRGUYRKSA-N	0	0	310.325	2.475	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2N(C)C)n1	ZINC000191523972	529154608	/nfs/dbraw/zinc/15/46/08/529154608.db2.gz	KRLFEMDKBNVAHE-UHFFFAOYSA-N	0	0	303.322	2.130	10	5		DEBERN
CCCCN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CCC[C@H](C)C1	ZINC000359256925	535181555	/nfs/dbraw/zinc/18/15/55/535181555.db2.gz	GXBYQTWIKMCIJR-QWHCGFSZSA-N	0	0	323.397	2.394	10	5		DEBERN
CNS(=O)(=O)c1ccc(NC[C@H](C)C(C)C)c([N+](=O)[O-])c1	ZINC000172615060	536319664	/nfs/dbraw/zinc/31/96/64/536319664.db2.gz	PWOLFIZWDMSLEP-JTQLQIEISA-N	0	0	315.395	2.207	10	5		DEBERN
COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1csc([N+](=O)[O-])c1	ZINC000248802608	536551834	/nfs/dbraw/zinc/55/18/34/536551834.db2.gz	GHMMKZYPHHIRAN-LOWVWBTDSA-N	0	0	310.375	2.430	10	5		DEBERN
O=C(Cn1ccc([N+](=O)[O-])n1)Oc1ccc(C(F)(F)F)cc1	ZINC000123311531	625571815	/nfs/dbraw/zinc/57/18/15/625571815.db2.gz	STEULABPDWARKI-UHFFFAOYSA-N	0	0	315.207	2.416	10	5		DEBERN
O=[N+]([O-])c1ccc(NCC[S@@](=O)Cc2ccccc2)cn1	ZINC000735487634	633513307	/nfs/dbraw/zinc/51/33/07/633513307.db2.gz	QXMPDEXTPLJCNH-OAQYLSRUSA-N	0	0	305.359	2.351	10	5		DEBERN
O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCCn2nccc21	ZINC000750184973	638724526	/nfs/dbraw/zinc/72/45/26/638724526.db2.gz	GBZWOMIZGYWFBO-UHFFFAOYSA-N	0	0	306.709	2.495	10	5		DEBERN
C/C(=C/C(=O)O[C@@H](C)C(=O)N(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000752352019	639174842	/nfs/dbraw/zinc/17/48/42/639174842.db2.gz	SYQPBEZSEJVYBX-JUDLJHIGSA-N	0	0	306.318	2.018	10	5		DEBERN
C/C(=C/C(=O)NC1(CO)CCCC1)c1ccc([N+](=O)[O-])cc1	ZINC000752681391	639208794	/nfs/dbraw/zinc/20/87/94/639208794.db2.gz	VLOOMDIRGNGVKJ-BENRWUELSA-N	0	0	304.346	2.419	10	5		DEBERN
Cc1nn(C)cc1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12	ZINC000179248259	640613768	/nfs/dbraw/zinc/61/37/68/640613768.db2.gz	TVCLPJRORGVMIL-UHFFFAOYSA-N	0	0	311.301	2.437	10	5		DEBERN
Cc1cc(F)cc(C(=O)N2CCC([C@H](C)O)CC2)c1[N+](=O)[O-]	ZINC000150742594	646085395	/nfs/dbraw/zinc/08/53/95/646085395.db2.gz	FCNPJTPJIWHNQN-JTQLQIEISA-N	0	0	310.325	2.275	10	5		DEBERN
C[C@H](CCNC(=O)c1cccc([N+](=O)[O-])c1Cl)[S@@](C)=O	ZINC000229794654	646700616	/nfs/dbraw/zinc/70/06/16/646700616.db2.gz	DZHWBXXXKZTUGQ-ZPWHCFADSA-N	0	0	318.782	2.135	10	5		DEBERN
CC(=O)N1CCC[C@H](C(=O)O[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1	ZINC000171569824	646706115	/nfs/dbraw/zinc/70/61/15/646706115.db2.gz	IHCMMBWNQFUZNG-FZMZJTMJSA-N	0	0	320.345	2.458	10	5		DEBERN
O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@@H](n2cncn2)C1	ZINC000171619320	646707607	/nfs/dbraw/zinc/70/76/07/646707607.db2.gz	XLQJGGNVKLZKOL-CYBMUJFWSA-N	0	0	305.313	2.163	10	5		DEBERN
COc1ccc(OC(=O)c2cnn3c2CCCC3)c([N+](=O)[O-])c1	ZINC000125621410	684147591	/nfs/dbraw/zinc/14/75/91/684147591.db2.gz	JQPMSJMEGJEVRW-UHFFFAOYSA-N	0	0	317.301	2.355	10	5		DEBERN
CN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ncccc1F	ZINC000130784347	684192470	/nfs/dbraw/zinc/19/24/70/684192470.db2.gz	VRKWFMCSXSEVIF-UHFFFAOYSA-N	0	0	323.255	2.310	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ncon1	ZINC000588447381	777204171	/nfs/dbraw/zinc/20/41/71/777204171.db2.gz	ZKNNEJHXRDGZLD-RNKPRXRFSA-N	0	0	302.290	2.259	10	5		DEBERN
Cc1ccc([C@H](C)OC(=O)[C@H]2CCN(C)C(=O)C2)cc1[N+](=O)[O-]	ZINC000084808365	1082157379	/nfs/dbraw/zinc/15/73/79/1082157379.db2.gz	PZVOTMVHKVLHJN-AAEUAGOBSA-N	0	0	320.345	2.376	10	5		DEBERN
COc1cc(C[S@](=O)c2ccccc2N)cc([N+](=O)[O-])c1	ZINC000164422175	197652672	/nfs/dbraw/zinc/65/26/72/197652672.db2.gz	OHTBDCPXSOHJQF-OAQYLSRUSA-N	0	0	306.343	2.493	10	5		DEBERN
CC[C@H](C)CNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1	ZINC000164567659	197656657	/nfs/dbraw/zinc/65/66/57/197656657.db2.gz	GYEJFDHJVQNKMR-QMMMGPOBSA-N	0	0	304.343	2.367	10	5		DEBERN
Cc1ccc(S(=O)(=O)n2ccc3c2nccc3[N+](=O)[O-])cc1	ZINC000079034106	185147844	/nfs/dbraw/zinc/14/78/44/185147844.db2.gz	JZQRCTUYHZWSTR-UHFFFAOYSA-N	0	0	317.326	2.490	10	5		DEBERN
O=[N+]([O-])c1nn(Cc2nnc(Cl)s2)cc1Br	ZINC000087691196	185230555	/nfs/dbraw/zinc/23/05/55/185230555.db2.gz	LOEJIHFRNLMLPD-UHFFFAOYSA-N	0	0	324.547	2.107	10	5		DEBERN
O=C1CC[C@H](Nc2cc(Br)ccc2[N+](=O)[O-])CN1	ZINC000087834585	185232801	/nfs/dbraw/zinc/23/28/01/185232801.db2.gz	LZAAYKJCSCFHAC-QMMMGPOBSA-N	0	0	314.139	2.048	10	5		DEBERN
CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc([N+](=O)[O-])s1	ZINC000088198503	185241662	/nfs/dbraw/zinc/24/16/62/185241662.db2.gz	PRJJCJHNBMHWHC-MRVPVSSYSA-N	0	0	321.362	2.075	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C)[C@H]1C	ZINC000175310412	282194523	/nfs/dbraw/zinc/19/45/23/282194523.db2.gz	SWOGWHXCHSCHCJ-VHSXEESVSA-N	0	0	314.363	2.022	10	5		DEBERN
CC[C@@H](C)C[C@H](C)NS(=O)(=O)c1ccc(N)cc1[N+](=O)[O-]	ZINC000088311762	185245184	/nfs/dbraw/zinc/24/51/84/185245184.db2.gz	VDKYPFRADGPZPU-ZJUUUORDSA-N	0	0	315.395	2.280	10	5		DEBERN
O=C(CN1CCC(C(F)(F)F)CC1)c1cc([N+](=O)[O-])c[nH]1	ZINC000088432208	185249746	/nfs/dbraw/zinc/24/97/46/185249746.db2.gz	VXMVPJAQAVQEQV-UHFFFAOYSA-N	0	0	305.256	2.380	10	5		DEBERN
Cc1cc(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])ccc1N	ZINC000165737172	197681505	/nfs/dbraw/zinc/68/15/05/197681505.db2.gz	LAHSZHLNJGCNKD-UHFFFAOYSA-N	0	0	306.343	2.459	10	5		DEBERN
O=[N+]([O-])c1nn([C@@H]2CCCCC[C@H]2O)cc1Br	ZINC000088765781	185264305	/nfs/dbraw/zinc/26/43/05/185264305.db2.gz	WJQTWIVSOJGUGU-RKDXNWHRSA-N	0	0	304.144	2.420	10	5		DEBERN
COCc1cncc(C(=O)NCCc2cccc([N+](=O)[O-])c2)c1	ZINC000613189418	362032590	/nfs/dbraw/zinc/03/25/90/362032590.db2.gz	WGFVRHZWJBJYCN-UHFFFAOYSA-N	0	0	315.329	2.109	10	5		DEBERN
CC(C)C[C@@](C)(O)CNC(=O)c1ccnc(Cl)c1[N+](=O)[O-]	ZINC000090272495	185288841	/nfs/dbraw/zinc/28/88/41/185288841.db2.gz	RCJAWRNHSZGRHN-CYBMUJFWSA-N	0	0	315.757	2.170	10	5		DEBERN
CC[C@H](NC(=O)[C@@H](C)CC(=O)OC)c1cccc([N+](=O)[O-])c1	ZINC000090466321	185298016	/nfs/dbraw/zinc/29/80/16/185298016.db2.gz	CLDNUAMTXFPKHN-GWCFXTLKSA-N	0	0	308.334	2.361	10	5		DEBERN
CCCC(=O)NCC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1	ZINC000090466206	185298052	/nfs/dbraw/zinc/29/80/52/185298052.db2.gz	HSNVRHCERBQPHF-ZDUSSCGKSA-N	0	0	307.350	2.078	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])o1)N1CCC(Oc2cccnc2)CC1	ZINC000090686109	185309567	/nfs/dbraw/zinc/30/95/67/185309567.db2.gz	OIOQFAWPBGWPRG-UHFFFAOYSA-N	0	0	317.301	2.266	10	5		DEBERN
O=[N+]([O-])c1ccc2cnn(-c3ncncc3Br)c2c1	ZINC000090782643	185311872	/nfs/dbraw/zinc/31/18/72/185311872.db2.gz	FZZUTANYYUGIHD-UHFFFAOYSA-N	0	0	320.106	2.486	10	5		DEBERN
O=C(c1csc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1nc[nH]n1	ZINC000181375581	199286734	/nfs/dbraw/zinc/28/67/34/199286734.db2.gz	JGWGMDFMIAJWLF-SECBINFHSA-N	0	0	307.335	2.142	10	5		DEBERN
COCCN(c1sc(C(C)=O)cc1[N+](=O)[O-])[C@@H](C)COC	ZINC000167421801	197708074	/nfs/dbraw/zinc/70/80/74/197708074.db2.gz	UMUUDYLAAHKKFH-VIFPVBQESA-N	0	0	316.379	2.347	10	5		DEBERN
O=C(N[C@@H]1CCCOC1)c1cc([N+](=O)[O-])ccc1OC(F)F	ZINC000181625721	199329460	/nfs/dbraw/zinc/32/94/60/199329460.db2.gz	LZCBTRMUPQIUSZ-MRVPVSSYSA-N	0	0	316.260	2.105	10	5		DEBERN
Cc1cc(COCC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)on1	ZINC000193853101	282359804	/nfs/dbraw/zinc/35/98/04/282359804.db2.gz	UPFBEBAGRXSWTM-UHFFFAOYSA-N	0	0	305.290	2.355	10	5		DEBERN
O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(O)cc3)CC2)cn1	ZINC000615504248	362622517	/nfs/dbraw/zinc/62/25/17/362622517.db2.gz	VZFNKQBPNXNVEF-UHFFFAOYSA-N	0	0	314.345	2.018	10	5		DEBERN
O=C(N[C@@H]1CCCn2ncnc21)c1cc([N+](=O)[O-])ccc1Cl	ZINC000177583297	295751511	/nfs/dbraw/zinc/75/15/11/295751511.db2.gz	PZIWUYAXXXDWJJ-LLVKDONJSA-N	0	0	321.724	2.105	10	5		DEBERN
C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H](C)N1C	ZINC000141957468	186031502	/nfs/dbraw/zinc/03/15/02/186031502.db2.gz	GIFIEWGUJGSYRG-UWVGGRQHSA-N	0	0	311.769	2.413	10	5		DEBERN
COC(=O)c1cc(Cn2cc([N+](=O)[O-])cc(C)c2=O)c(C)s1	ZINC000155825061	186115859	/nfs/dbraw/zinc/11/58/59/186115859.db2.gz	LYUNYHKKTBGXJE-UHFFFAOYSA-N	0	0	322.342	2.270	10	5		DEBERN
Cc1nn(C)c(N2CCC(Cc3ccccn3)CC2)c1[N+](=O)[O-]	ZINC000172151232	198048004	/nfs/dbraw/zinc/04/80/04/198048004.db2.gz	VHEUMLREOIVWAE-UHFFFAOYSA-N	0	0	315.377	2.491	10	5		DEBERN
Cc1cnn(CCNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1	ZINC000172277312	198069905	/nfs/dbraw/zinc/06/99/05/198069905.db2.gz	SZPWCTSQPBTWFC-GFCCVEGCSA-N	0	0	317.349	2.160	10	5		DEBERN
O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCOC1	ZINC000172488304	198104636	/nfs/dbraw/zinc/10/46/36/198104636.db2.gz	SSXRYFWCILAZSM-CQSZACIVSA-N	0	0	321.377	2.396	10	5		DEBERN
C[C@@H]1NC(=S)N(CCCCc2ccc([N+](=O)[O-])cc2)C1=O	ZINC000172675272	198135102	/nfs/dbraw/zinc/13/51/02/198135102.db2.gz	ZAGFWWFTIMBIMC-JTQLQIEISA-N	0	0	307.375	2.023	10	5		DEBERN
Cc1ccc(NC(=O)C(=O)N2C[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-]	ZINC000173838143	198258196	/nfs/dbraw/zinc/25/81/96/198258196.db2.gz	HOYHTKHSZAJFPN-PWSUYJOCSA-N	0	0	319.361	2.489	10	5		DEBERN
COC(=O)C[C@H]1CSCCN1Cc1csc([N+](=O)[O-])c1	ZINC000174736761	198378495	/nfs/dbraw/zinc/37/84/95/198378495.db2.gz	QLMSKCKXDQPKOK-JTQLQIEISA-N	0	0	316.404	2.137	10	5		DEBERN
C[C@@H](C(=O)Nc1cnccc1CO)c1cccc([N+](=O)[O-])c1	ZINC000617756066	363254026	/nfs/dbraw/zinc/25/40/26/363254026.db2.gz	YBTRTXUQLZZHNB-SNVBAGLBSA-N	0	0	301.302	2.224	10	5		DEBERN
Cc1nn(C[C@@H](O)COc2ccc(C)cc2)c(C)c1[N+](=O)[O-]	ZINC000042755204	354205385	/nfs/dbraw/zinc/20/53/85/354205385.db2.gz	QXWNKLCYAKBLOS-CYBMUJFWSA-N	0	0	305.334	2.156	10	5		DEBERN
COC(=O)CCCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000069170963	354853003	/nfs/dbraw/zinc/85/30/03/354853003.db2.gz	CLJDKYAXEUTBFO-UHFFFAOYSA-N	0	0	314.725	2.321	10	5		DEBERN
CC(=O)N(C)c1cccc(Nc2c([N+](=O)[O-])c(C)nn2C)c1	ZINC000075066396	355067541	/nfs/dbraw/zinc/06/75/41/355067541.db2.gz	VRGUVTKPAFVQRI-UHFFFAOYSA-N	0	0	303.322	2.363	10	5		DEBERN
CCN(CC)C(=O)[C@@H]1CCCN1c1ncc(C)cc1[N+](=O)[O-]	ZINC000078659856	355273037	/nfs/dbraw/zinc/27/30/37/355273037.db2.gz	OFUDRBBOAQRFQF-LBPRGKRZSA-N	0	0	306.366	2.135	10	5		DEBERN
CS(=O)(=O)c1ccc(N2C[C@H]3CC=CC[C@@H]3C2)c([N+](=O)[O-])c1	ZINC000078371567	355257067	/nfs/dbraw/zinc/25/70/67/355257067.db2.gz	SUNQUIZNKSRAGS-VXGBXAGGSA-N	0	0	322.386	2.401	10	5		DEBERN
O=c1c([N+](=O)[O-])c(N2C[C@H]3CC=CC[C@@H]3C2)nc2ccccn21	ZINC000078372126	355257126	/nfs/dbraw/zinc/25/71/26/355257126.db2.gz	IWIVMWSJUWHAMF-VXGBXAGGSA-N	0	0	312.329	2.005	10	5		DEBERN
C[C@H]1Oc2ccc([N+](=O)[O-])nc2N(Cc2ccccc2F)C1=O	ZINC000075258049	191451162	/nfs/dbraw/zinc/45/11/62/191451162.db2.gz	LSYHZHKVNUDBIQ-SECBINFHSA-N	0	0	317.276	2.443	10	5		DEBERN
COc1ccc(CC(=O)Nc2ncc([N+](=O)[O-])cc2C)cc1	ZINC000075302757	191459479	/nfs/dbraw/zinc/45/94/79/191459479.db2.gz	NVQFLVZWPSZIIU-UHFFFAOYSA-N	0	0	301.302	2.488	10	5		DEBERN
CCCCOC(=O)Cn1c(=O)ccc2cc([N+](=O)[O-])ccc21	ZINC000075313181	191461769	/nfs/dbraw/zinc/46/17/69/191461769.db2.gz	FNNJIXONVMRCHA-UHFFFAOYSA-N	0	0	304.302	2.253	10	5		DEBERN
COCc1cc([N+](=O)[O-])ccc1N1CCC2(CC1)OC[C@H](C)O2	ZINC000080645646	355376884	/nfs/dbraw/zinc/37/68/84/355376884.db2.gz	JTAISWSBNXXHSM-LBPRGKRZSA-N	0	0	322.361	2.473	10	5		DEBERN
Cc1cc(Nc2ccc3n[nH]c(C(N)=O)c3c2)ncc1[N+](=O)[O-]	ZINC000089651959	355540817	/nfs/dbraw/zinc/54/08/17/355540817.db2.gz	RYSJKCWVGJHIDA-UHFFFAOYSA-N	0	0	312.289	2.017	10	5		DEBERN
O=C(CS(=O)(=O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1	ZINC000005189938	181215033	/nfs/dbraw/zinc/21/50/33/181215033.db2.gz	QNJQQQVLZFBXCN-UHFFFAOYSA-N	0	0	320.326	2.007	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2nnn(C)c2c1	ZINC000182325765	356121890	/nfs/dbraw/zinc/12/18/90/356121890.db2.gz	HMSIJGZBGFLEDK-UHFFFAOYSA-N	0	0	311.301	2.437	10	5		DEBERN
C[C@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@H](C)S1=O	ZINC000589865063	357501782	/nfs/dbraw/zinc/50/17/82/357501782.db2.gz	OOGBVYGDOXTQRO-QWRGUYRKSA-N	0	0	319.386	2.489	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H](C)C[S@](C)=O	ZINC000185218373	199825783	/nfs/dbraw/zinc/82/57/83/199825783.db2.gz	IYSUEVHJMIDRHY-YIYBSLRNSA-N	0	0	324.402	2.224	10	5		DEBERN
CCCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)C(=O)OC	ZINC000186472903	199961344	/nfs/dbraw/zinc/96/13/44/199961344.db2.gz	DFQRLPRNNPHXHU-CYBMUJFWSA-N	0	0	308.334	2.365	10	5		DEBERN
CC(=O)N1CC[C@H](CNc2ccc3cnccc3c2[N+](=O)[O-])C1	ZINC000599084962	359398377	/nfs/dbraw/zinc/39/83/77/359398377.db2.gz	GYSPEJOETDUXAS-GFCCVEGCSA-N	0	0	314.345	2.423	10	5		DEBERN
CO[C@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C	ZINC000187422329	200110757	/nfs/dbraw/zinc/11/07/57/200110757.db2.gz	GDUFCFZPQFFSCR-WFASDCNBSA-N	0	0	321.377	2.204	10	5		DEBERN
CO[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[C@@H]1C	ZINC000187779558	200155928	/nfs/dbraw/zinc/15/59/28/200155928.db2.gz	IHPIXBVTKPKCMO-ZANVPECISA-N	0	0	323.305	2.000	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1CN1CCCN(C(=O)C2CC2)CC1	ZINC000188704456	200290498	/nfs/dbraw/zinc/29/04/98/200290498.db2.gz	PYKGOAIHERYZRR-UHFFFAOYSA-N	0	0	317.389	2.348	10	5		DEBERN
C=C/C(C)=C/CC(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1	ZINC000601781300	360145583	/nfs/dbraw/zinc/14/55/83/360145583.db2.gz	VENPKCXBAQOYEE-OQRGYWNNSA-N	0	0	304.346	2.441	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H](C(C)C)N2CCOCC2)n1	ZINC000611615756	361645152	/nfs/dbraw/zinc/64/51/52/361645152.db2.gz	YJAGOYYALALAJK-AWEZNQCLSA-N	0	0	322.409	2.375	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H](c3nncn3C)C2)n1	ZINC000611615782	361645329	/nfs/dbraw/zinc/64/53/29/361645329.db2.gz	DHLGCCMENFYBCY-GFCCVEGCSA-N	0	0	316.365	2.119	10	5		DEBERN
O=C(NCc1cccc([N+](=O)[O-])c1)NC1(CCO)CCCCC1	ZINC000619816786	363881098	/nfs/dbraw/zinc/88/10/98/363881098.db2.gz	BAFXBDLHNRWPNQ-UHFFFAOYSA-N	0	0	321.377	2.479	10	5		DEBERN
COC(=O)CCSc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000091690649	193091006	/nfs/dbraw/zinc/09/10/06/193091006.db2.gz	FQYJNALIKSYVQH-UHFFFAOYSA-N	0	0	304.255	2.297	10	5		DEBERN
Cc1nn(C)cc1CC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-]	ZINC000452344834	244177747	/nfs/dbraw/zinc/17/77/47/244177747.db2.gz	PJDRXLJJUUNOTP-UHFFFAOYSA-N	0	0	316.361	2.231	10	5		DEBERN
CCS(=O)(=O)CCCOc1cc([N+](=O)[O-])ccc1Cl	ZINC000093307920	193227287	/nfs/dbraw/zinc/22/72/87/193227287.db2.gz	ATKIDQFNPFKHOM-UHFFFAOYSA-N	0	0	307.755	2.452	10	5		DEBERN
COc1ccc(N)c(SCCn2c(C)ncc2[N+](=O)[O-])c1	ZINC000093421856	193247925	/nfs/dbraw/zinc/24/79/25/193247925.db2.gz	JEJMEIQSQHXJNA-UHFFFAOYSA-N	0	0	308.363	2.483	10	5		DEBERN
COC(=O)C[C@H](C)[S@@](=O)Cc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000093633829	193277496	/nfs/dbraw/zinc/27/74/96/193277496.db2.gz	WXXIRZAKRNGXSZ-FFVOIRBGSA-N	0	0	319.766	2.449	10	5		DEBERN
[NH3+][C@]1(C(=O)[O-])CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2Cl)C1	ZINC000093775524	193304464	/nfs/dbraw/zinc/30/44/64/193304464.db2.gz	PVRWNGMCDVKEPQ-NOZJJQNGSA-N	0	0	314.725	2.352	10	5		DEBERN
C[NH2+][C@@]1(C(=O)[O-])CC[C@@H](Oc2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000093847164	193317372	/nfs/dbraw/zinc/31/73/72/193317372.db2.gz	TWAJMSMENIINJV-RNCFNFMXSA-N	0	0	314.725	2.222	10	5		DEBERN
CC1(C)CCC[C@@H](S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1[NH3+]	ZINC000094281658	193356325	/nfs/dbraw/zinc/35/63/25/193356325.db2.gz	PDYNMAULHYZPTM-CHWSQXEVSA-N	0	0	312.391	2.275	10	5		DEBERN
CC1(C)CCC[C@@H]1NS(=O)(=O)c1cc(N)ccc1[N+](=O)[O-]	ZINC000094332287	193359111	/nfs/dbraw/zinc/35/91/11/193359111.db2.gz	FFDNRQSXWMAEJP-LBPRGKRZSA-N	0	0	313.379	2.034	10	5		DEBERN
Nc1nnn(-c2ccc(Br)c([N+](=O)[O-])c2)c1C1CC1	ZINC000094189042	193347864	/nfs/dbraw/zinc/34/78/64/193347864.db2.gz	WEVYMPYIONNGTM-UHFFFAOYSA-N	0	0	324.138	2.398	10	5		DEBERN
C[C@H](NC(=O)[C@](C)(N)C(F)(F)F)c1cccc([N+](=O)[O-])c1	ZINC000094234078	193353200	/nfs/dbraw/zinc/35/32/00/193353200.db2.gz	TYTRXXOXQSNGCT-CPCISQLKSA-N	0	0	305.256	2.052	10	5		DEBERN
Nc1cc([N+](=O)[O-])ccc1-c1nc([C@@H]2CSCCO2)no1	ZINC000094501637	193374931	/nfs/dbraw/zinc/37/49/31/193374931.db2.gz	AINWDMFULOSGRE-JTQLQIEISA-N	0	0	308.319	2.032	10	5		DEBERN
CCC[C@@H](C)N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1C	ZINC000094780549	193397667	/nfs/dbraw/zinc/39/76/67/193397667.db2.gz	UTUSCWOGYSTMIO-SNVBAGLBSA-N	0	0	315.395	2.295	10	5		DEBERN
CNc1cc(C)c(S(=O)(=O)NC2CCCC2)cc1[N+](=O)[O-]	ZINC000094780436	193397756	/nfs/dbraw/zinc/39/77/56/193397756.db2.gz	HKWSUFSPGMUTBJ-UHFFFAOYSA-N	0	0	313.379	2.166	10	5		DEBERN
CCN(CC(C)C)S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1C	ZINC000094780506	193397873	/nfs/dbraw/zinc/39/78/73/193397873.db2.gz	PGDPBAJBMADLPG-UHFFFAOYSA-N	0	0	315.395	2.152	10	5		DEBERN
O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCCO1	ZINC000155784668	296204632	/nfs/dbraw/zinc/20/46/32/296204632.db2.gz	ZIGIRBKVYXLSCY-UHFFFAOYSA-N	0	0	301.096	2.135	10	5		DEBERN
COC(=O)CCCCCNC(=O)c1ccc([N+](=O)[O-])s1	ZINC000024466664	182381155	/nfs/dbraw/zinc/38/11/55/182381155.db2.gz	ATNFLKSARVYTQB-UHFFFAOYSA-N	0	0	300.336	2.120	10	5		DEBERN
CCOC(=O)COc1c(Br)cc(F)cc1[N+](=O)[O-]	ZINC000036968541	182857118	/nfs/dbraw/zinc/85/71/18/182857118.db2.gz	WGXMEEDTTXNSGM-UHFFFAOYSA-N	0	0	322.086	2.438	10	5		DEBERN
CCOc1ncnc(Nc2ccc3c(c2)OCCO3)c1[N+](=O)[O-]	ZINC000040646211	183113539	/nfs/dbraw/zinc/11/35/39/183113539.db2.gz	XYLYFWRJDPYRJG-UHFFFAOYSA-N	0	0	318.289	2.298	10	5		DEBERN
CC(=O)c1ccc(Nc2ncnc(N(C)C)c2[N+](=O)[O-])cc1	ZINC000040608461	183108737	/nfs/dbraw/zinc/10/87/37/183108737.db2.gz	JGWZGHXZLQBPIB-UHFFFAOYSA-N	0	0	301.306	2.397	10	5		DEBERN
O=[N+]([O-])c1cc(CNCc2cc[nH]n2)ccc1Br	ZINC000041015302	183156602	/nfs/dbraw/zinc/15/66/02/183156602.db2.gz	OJJIVLTYTWLSBI-UHFFFAOYSA-N	0	0	311.139	2.370	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCC1(O)CCC1	ZINC000283935945	217816638	/nfs/dbraw/zinc/81/66/38/217816638.db2.gz	CVZMTIUGAWREGL-QXMHVHEDSA-N	0	0	304.346	2.419	10	5		DEBERN
CCCNc1ccc(S(=O)(=O)NCCC)cc1[N+](=O)[O-]	ZINC000050636271	183792704	/nfs/dbraw/zinc/79/27/04/183792704.db2.gz	AMTSTOHWNFVDJR-UHFFFAOYSA-N	0	0	301.368	2.105	10	5		DEBERN
CCN(C(C)C)S(=O)(=O)c1c(F)cc([N+](=O)[O-])cc1NC	ZINC000050652035	183794576	/nfs/dbraw/zinc/79/45/76/183794576.db2.gz	RJARCWBIRWCYFC-UHFFFAOYSA-N	0	0	319.358	2.195	10	5		DEBERN
CCCN(C)S(=O)(=O)c1ccc(NCC)c([N+](=O)[O-])c1	ZINC000050652599	183794784	/nfs/dbraw/zinc/79/47/84/183794784.db2.gz	CVINDPGXWDOZKC-UHFFFAOYSA-N	0	0	301.368	2.057	10	5		DEBERN
CN(Cc1ccc(Cl)s1)c1[nH]cnc(=NN)c1[N+](=O)[O-]	ZINC000159355696	197347739	/nfs/dbraw/zinc/34/77/39/197347739.db2.gz	NFFLEXJMYAKGIP-UHFFFAOYSA-N	0	0	314.758	2.022	10	5		DEBERN
CN(Cc1ccsc1)C(=O)c1cc(NN)ccc1[N+](=O)[O-]	ZINC000051128470	183817421	/nfs/dbraw/zinc/81/74/21/183817421.db2.gz	RZKFUCHQPHPLMJ-UHFFFAOYSA-N	0	0	306.347	2.214	10	5		DEBERN
O=[N+]([O-])c1ccccc1-c1noc(C[C@H](O)C(F)(F)F)n1	ZINC000109491890	194268690	/nfs/dbraw/zinc/26/86/90/194268690.db2.gz	CTEQWZKBQNVVAN-QMMMGPOBSA-N	0	0	303.196	2.111	10	5		DEBERN
Cc1cc(NC(=O)Cc2csc(N)n2)c([N+](=O)[O-])cc1C	ZINC000055273285	183976274	/nfs/dbraw/zinc/97/62/74/183976274.db2.gz	RJJCSLWYYTVKBM-UHFFFAOYSA-N	0	0	306.347	2.432	10	5		DEBERN
CCC[C@@H](O)CNc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-]	ZINC000112333722	194459393	/nfs/dbraw/zinc/45/93/93/194459393.db2.gz	KGRQRJKJFARXBS-WAFBPQNNSA-N	0	0	308.334	2.354	10	5		DEBERN
CC[NH2+][C@@H](CCOc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)[O-]	ZINC000062595633	184244225	/nfs/dbraw/zinc/24/42/25/184244225.db2.gz	UZVQYUPPFCLFCH-JTQLQIEISA-N	0	0	302.714	2.080	10	5		DEBERN
O=C([O-])[C@@H](CCOc1ccc([N+](=O)[O-])c(Cl)c1)[NH2+]C1CC1	ZINC000062595639	184244246	/nfs/dbraw/zinc/24/42/46/184244246.db2.gz	QVKUUUKCLBDQJN-LLVKDONJSA-N	0	0	314.725	2.222	10	5		DEBERN
O=[N+]([O-])c1c(Cl)ncnc1N1CCOc2ccccc2C1	ZINC000063014080	184266673	/nfs/dbraw/zinc/26/66/73/184266673.db2.gz	CRFXYKQYZKYIHJ-UHFFFAOYSA-N	0	0	306.709	2.437	10	5		DEBERN
C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000185421854	207366159	/nfs/dbraw/zinc/36/61/59/207366159.db2.gz	IZYCWSQNJKJKAB-LBPRGKRZSA-N	0	0	321.377	2.295	10	5		DEBERN
C[NH2+][C@@](C)(C[C@@H](C)Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000068650986	184496271	/nfs/dbraw/zinc/49/62/71/184496271.db2.gz	AUZGUDAFHBHRDY-OQPBUACISA-N	0	0	316.741	2.468	10	5		DEBERN
O=C1c2ccccc2C(=O)N1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1	ZINC000071873546	285022040	/nfs/dbraw/zinc/02/20/40/285022040.db2.gz	QPGNCHDDWKVELZ-CYBMUJFWSA-N	0	0	308.293	2.358	10	5		DEBERN
COc1cc(N2CCC[C@@H](n3cncn3)C2)c(F)cc1[N+](=O)[O-]	ZINC000119722836	195026026	/nfs/dbraw/zinc/02/60/26/195026026.db2.gz	CUECZPOLAYUSOL-SNVBAGLBSA-N	0	0	321.312	2.176	10	5		DEBERN
CC(=O)c1ccc(N[C@@H](CO)C[C@@H](O)C(C)(C)C)c([N+](=O)[O-])c1	ZINC000286301943	218904556	/nfs/dbraw/zinc/90/45/56/218904556.db2.gz	DRZZSBHRHJLCPV-IUODEOHRSA-N	0	0	324.377	2.367	10	5		DEBERN
O=[N+]([O-])c1ccc(CO)cc1N1CCC(Cn2cccn2)CC1	ZINC000302064071	285115751	/nfs/dbraw/zinc/11/57/51/285115751.db2.gz	TUIWKWISGWYWHM-UHFFFAOYSA-N	0	0	316.361	2.200	10	5		DEBERN
C[C@@H]1C[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1	ZINC000159079663	197325191	/nfs/dbraw/zinc/32/51/91/197325191.db2.gz	UHUCKEFWQLRTLZ-PHDIDXHHSA-N	0	0	310.784	2.244	10	5		DEBERN
CNc1cc(Sc2ncnc3[nH]cnc32)cc([N+](=O)[O-])c1	ZINC000158826765	197304386	/nfs/dbraw/zinc/30/43/86/197304386.db2.gz	VSRPKIVKZLJNIL-UHFFFAOYSA-N	0	0	302.319	2.454	10	5		DEBERN
O=[N+]([O-])c1ccc(Br)cc1CNCc1cn[nH]c1	ZINC000122078416	195398044	/nfs/dbraw/zinc/39/80/44/195398044.db2.gz	VTIUGVXKGHXQCQ-UHFFFAOYSA-N	0	0	311.139	2.370	10	5		DEBERN
COC(=O)c1cncc(NC(=O)c2csc([N+](=O)[O-])c2)c1	ZINC000178240244	132533896	/nfs/dbraw/zinc/53/38/96/132533896.db2.gz	GLSKTPRUFVDOHQ-UHFFFAOYSA-N	0	0	307.287	2.090	10	5		DEBERN
Cc1csc(NC(=O)COc2nc(C)cc(C)c2[N+](=O)[O-])n1	ZINC000359652046	133137268	/nfs/dbraw/zinc/13/72/68/133137268.db2.gz	SLYQIMCHNKEKJQ-UHFFFAOYSA-N	0	0	322.346	2.389	10	5		DEBERN
Cc1ccncc1N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000547333545	285559633	/nfs/dbraw/zinc/55/96/33/285559633.db2.gz	UGSDWXLNOYDLJY-UHFFFAOYSA-N	0	0	321.358	2.264	10	5		DEBERN
Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000173479252	144843474	/nfs/dbraw/zinc/84/34/74/144843474.db2.gz	QNVFNPDVUHETGC-JTQLQIEISA-N	0	0	316.361	2.306	10	5		DEBERN
COC(=O)c1coc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1	ZINC000183884470	144936671	/nfs/dbraw/zinc/93/66/71/144936671.db2.gz	HKRKPCZELZZKQH-UHFFFAOYSA-N	0	0	304.258	2.251	10	5		DEBERN
CC[C@H](NC(=O)N1C[C@@H](C)[C@H](CO)C1)c1cccc([N+](=O)[O-])c1	ZINC000189465485	145028503	/nfs/dbraw/zinc/02/85/03/145028503.db2.gz	CLYIJAIBRPBBRN-ZLDLUXBVSA-N	0	0	321.377	2.316	10	5		DEBERN
C[C@@H]1C[C@@H]1CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-]	ZINC000357307511	147084771	/nfs/dbraw/zinc/08/47/71/147084771.db2.gz	USMSDUKGAWNROS-TZMCWYRMSA-N	0	0	305.378	2.495	10	5		DEBERN
O=C(NCC[C@H]1COc2ccccc2O1)c1ccc([N+](=O)[O-])o1	ZINC000361165783	147461189	/nfs/dbraw/zinc/46/11/89/147461189.db2.gz	KFGPKHDHQYDHGU-JTQLQIEISA-N	0	0	318.285	2.148	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c1=O	ZINC000127187982	401723721	/nfs/dbraw/zinc/72/37/21/401723721.db2.gz	CNGVWTYEAAXPDF-VHRBIJSZSA-N	0	0	321.377	2.006	10	5		DEBERN
O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000127715791	401746874	/nfs/dbraw/zinc/74/68/74/401746874.db2.gz	OJWNWCQGJYHURL-RHSMWYFYSA-N	0	0	318.373	2.291	10	5		DEBERN
Cc1cnc2c(c1)N(C(=O)c1cc([N+](=O)[O-])cnc1C)CCO2	ZINC000126964966	401715103	/nfs/dbraw/zinc/71/51/03/401715103.db2.gz	ORXFYNMSLLFUNC-UHFFFAOYSA-N	0	0	314.301	2.041	10	5		DEBERN
Cc1nn(CCC(=O)N2C[C@H](C)CC[C@@H]2C)c(C)c1[N+](=O)[O-]	ZINC000075286665	401756588	/nfs/dbraw/zinc/75/65/88/401756588.db2.gz	GQHSXXMBSUUDLX-MNOVXSKESA-N	0	0	308.382	2.445	10	5		DEBERN
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCC[C@@H]1O	ZINC000130347675	401827994	/nfs/dbraw/zinc/82/79/94/401827994.db2.gz	DAKYABGOJXFMPN-GDLCADMTSA-N	0	0	324.402	2.495	10	5		DEBERN
CSc1ccc(C(=O)NCCn2cc(C)cn2)cc1[N+](=O)[O-]	ZINC000117818008	401885941	/nfs/dbraw/zinc/88/59/41/401885941.db2.gz	BOLHOQIVPGWEHX-UHFFFAOYSA-N	0	0	320.374	2.252	10	5		DEBERN
CC(=O)c1cnc(NC(=O)COc2ccccc2[N+](=O)[O-])s1	ZINC000118631912	401902967	/nfs/dbraw/zinc/90/29/67/401902967.db2.gz	IYJXBDVNGGAPIG-UHFFFAOYSA-N	0	0	321.314	2.271	10	5		DEBERN
Cc1ccc([C@H](C)OC(=O)[C@H](C)n2cncn2)cc1[N+](=O)[O-]	ZINC000084809137	401910340	/nfs/dbraw/zinc/91/03/40/401910340.db2.gz	NDOKNTCGKCZEMU-QWRGUYRKSA-N	0	0	304.306	2.360	10	5		DEBERN
COCCCCS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1Cl	ZINC000136091656	401959854	/nfs/dbraw/zinc/95/98/54/401959854.db2.gz	YSZFLDGZXZUCEM-UHFFFAOYSA-N	0	0	323.754	2.383	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCO[C@H]2CCCC[C@H]21	ZINC000046488204	401969931	/nfs/dbraw/zinc/96/99/31/401969931.db2.gz	MJEPYGSGOCGPAN-KGLIPLIRSA-N	0	0	305.334	2.082	10	5		DEBERN
C[C@@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[C@@H]1CCCO1	ZINC000050037528	402024013	/nfs/dbraw/zinc/02/40/13/402024013.db2.gz	BSWYOLRKUUHHQH-KRTXAFLBSA-N	0	0	300.261	2.170	10	5		DEBERN
Cc1cc(=O)[nH]cc1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1	ZINC000122497962	402081847	/nfs/dbraw/zinc/08/18/47/402081847.db2.gz	MLIHHBJLQDJWIX-JTQLQIEISA-N	0	0	301.302	2.083	10	5		DEBERN
COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCCC[C@@H]1CO	ZINC000122742493	402092282	/nfs/dbraw/zinc/09/22/82/402092282.db2.gz	SDUPBUDJQUUCSR-ZYHUDNBSSA-N	0	0	323.349	2.276	10	5		DEBERN
O=C(c1ccccc1[N+](=O)[O-])N1CCC(c2cc[nH]n2)CC1	ZINC000125150251	402216183	/nfs/dbraw/zinc/21/61/83/402216183.db2.gz	QKTZVBNOCYZUMK-UHFFFAOYSA-N	0	0	300.318	2.338	10	5		DEBERN
COC[C@@H](C)C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1	ZINC000109210951	402269603	/nfs/dbraw/zinc/26/96/03/402269603.db2.gz	VPRXWEHOHUWEBT-SNVBAGLBSA-N	0	0	304.306	2.002	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(CC(=O)N(C)CC2CCCCC2)c1=O	ZINC000155934352	402270906	/nfs/dbraw/zinc/27/09/06/402270906.db2.gz	GYYLWWLCEPAHFU-UHFFFAOYSA-N	0	0	321.377	2.104	10	5		DEBERN
Cc1ccc(NCCCNC(=O)[C@@H]2CC[C@H](C)O2)c([N+](=O)[O-])c1	ZINC000155973920	402272733	/nfs/dbraw/zinc/27/27/33/402272733.db2.gz	IRRMIHPLCILITG-WFASDCNBSA-N	0	0	321.377	2.389	10	5		DEBERN
C[C@@H]1CO[C@H](c2ccccc2)CN1CCn1ccc([N+](=O)[O-])n1	ZINC000176227354	402292558	/nfs/dbraw/zinc/29/25/58/402292558.db2.gz	UTPRMZAEHUCTIP-HIFRSBDPSA-N	0	0	316.361	2.253	10	5		DEBERN
CC[C@@H](NC(=O)NCCn1cccn1)c1cccc([N+](=O)[O-])c1	ZINC000176226728	402292732	/nfs/dbraw/zinc/29/27/32/402292732.db2.gz	DGOCCVGHXXFAKS-CQSZACIVSA-N	0	0	317.349	2.242	10	5		DEBERN
C[C@H]1CO[C@H](c2ccccc2)CN1CCn1ccc([N+](=O)[O-])n1	ZINC000176227366	402292748	/nfs/dbraw/zinc/29/27/48/402292748.db2.gz	UTPRMZAEHUCTIP-ZFWWWQNUSA-N	0	0	316.361	2.253	10	5		DEBERN
CCOC(=O)[C@H](C)[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000184711808	402294405	/nfs/dbraw/zinc/29/44/05/402294405.db2.gz	DSDNIJOAAKLGHL-SFYZADRCSA-N	0	0	314.363	2.282	10	5		DEBERN
CCc1nc2n(n1)C[C@@H](Nc1cccc(OC)c1[N+](=O)[O-])CC2	ZINC000185374492	402348212	/nfs/dbraw/zinc/34/82/12/402348212.db2.gz	SBUUFYGQHZSIFB-JTQLQIEISA-N	0	0	317.349	2.184	10	5		DEBERN
Cc1cc(N2CC[C@H](C(=O)OC(C)(C)C)C2)ncc1[N+](=O)[O-]	ZINC000176954652	402354263	/nfs/dbraw/zinc/35/42/63/402354263.db2.gz	JRAPJTKPFBOSLA-NSHDSACASA-N	0	0	307.350	2.466	10	5		DEBERN
C[NH+](C)CC1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1	ZINC000185460837	402354535	/nfs/dbraw/zinc/35/45/35/402354535.db2.gz	RDPLBRVQJICRFZ-UHFFFAOYSA-N	0	0	321.377	2.151	10	5		DEBERN
CCCN(CCO)C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1	ZINC000176708000	402330058	/nfs/dbraw/zinc/33/00/58/402330058.db2.gz	PRNITHJLEOMCQE-CQSZACIVSA-N	0	0	309.366	2.460	10	5		DEBERN
O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC([NH+]2CCCC2)CC1	ZINC000160236616	402338624	/nfs/dbraw/zinc/33/86/24/402338624.db2.gz	TXPCMAVPNPGJOY-UHFFFAOYSA-N	0	0	319.361	2.001	10	5		DEBERN
Cc1ccc(NC(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)cc1[N+](=O)[O-]	ZINC000163094322	402441347	/nfs/dbraw/zinc/44/13/47/402441347.db2.gz	PGFAUBLGRGYOGH-MNOVXSKESA-N	0	0	320.349	2.069	10	5		DEBERN
C[C@@]1(C(N)=O)CCCCN1Cc1ccc([N+](=O)[O-])cc1Cl	ZINC000185953436	402392629	/nfs/dbraw/zinc/39/26/29/402392629.db2.gz	APOOSTDAXHXQAG-AWEZNQCLSA-N	0	0	311.769	2.478	10	5		DEBERN
Cc1nc(N[C@H]2CCc3nnc(C(C)C)n3C2)ccc1[N+](=O)[O-]	ZINC000178032963	402454218	/nfs/dbraw/zinc/45/42/18/402454218.db2.gz	DWGHRQFIENBUOJ-NSHDSACASA-N	0	0	316.365	2.440	10	5		DEBERN
Cc1ccc([C@H](C)NC(=O)NCC2(CCO)CC2)cc1[N+](=O)[O-]	ZINC000187443989	402501257	/nfs/dbraw/zinc/50/12/57/402501257.db2.gz	PYPVIOBVSJYNNH-LBPRGKRZSA-N	0	0	321.377	2.426	10	5		DEBERN
Nc1c(C(=O)NCCCc2ccccn2)cc(F)cc1[N+](=O)[O-]	ZINC000179076020	402570417	/nfs/dbraw/zinc/57/04/17/402570417.db2.gz	DPIATDXZUFYADY-UHFFFAOYSA-N	0	0	318.308	2.074	10	5		DEBERN
C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1nnc2n1CCCC2	ZINC000178606110	402516531	/nfs/dbraw/zinc/51/65/31/402516531.db2.gz	RVRBXYIZJHYSBE-QMMMGPOBSA-N	0	0	321.362	2.075	10	5		DEBERN
Cc1cc(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)cc([N+](=O)[O-])c1	ZINC000178678063	402525521	/nfs/dbraw/zinc/52/55/21/402525521.db2.gz	OHMADAGOKAVBMW-CVEARBPZSA-N	0	0	312.325	2.291	10	5		DEBERN
CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@]2(O)CCCC[C@H]2C1	ZINC000248022559	402580567	/nfs/dbraw/zinc/58/05/67/402580567.db2.gz	OCBUYZMNUADEBW-SWLSCSKDSA-N	0	0	308.382	2.251	10	5		DEBERN
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCOC1	ZINC000171694751	402611498	/nfs/dbraw/zinc/61/14/98/402611498.db2.gz	RWGJSYSVTJOJMW-WDEREUQCSA-N	0	0	310.375	2.371	10	5		DEBERN
COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1csc([N+](=O)[O-])c1	ZINC000191173981	402648151	/nfs/dbraw/zinc/64/81/51/402648151.db2.gz	GHMMKZYPHHIRAN-WZRBSPASSA-N	0	0	310.375	2.430	10	5		DEBERN
CCN(CC(F)F)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C	ZINC000192141006	402714170	/nfs/dbraw/zinc/71/41/70/402714170.db2.gz	MSCAVHKRRLIFIA-UHFFFAOYSA-N	0	0	322.333	2.487	10	5		DEBERN
CCS[C@H]1CCC[C@@H]1NC(=O)c1nn(CC)cc1[N+](=O)[O-]	ZINC000191653744	402684427	/nfs/dbraw/zinc/68/44/27/402684427.db2.gz	HZPGDGVACJFSLK-ONGXEEELSA-N	0	0	312.395	2.215	10	5		DEBERN
COc1cc(OCC(=O)NCC2(C)CCC2)ccc1[N+](=O)[O-]	ZINC000175111619	402780406	/nfs/dbraw/zinc/78/04/06/402780406.db2.gz	NEFOJZSNYWHRRX-UHFFFAOYSA-N	0	0	308.334	2.289	10	5		DEBERN
C[C@@H]1CO[C@H](c2ccccc2)CN1CCn1cc([N+](=O)[O-])cn1	ZINC000174843519	402759757	/nfs/dbraw/zinc/75/97/57/402759757.db2.gz	PDPGLKVBGAIFIX-CJNGLKHVSA-N	0	0	316.361	2.253	10	5		DEBERN
COC(=O)c1cncc(NC(=O)c2c(C)cccc2[N+](=O)[O-])c1	ZINC000194873640	402820183	/nfs/dbraw/zinc/82/01/83/402820183.db2.gz	UMPDDSRSQHVBPE-UHFFFAOYSA-N	0	0	315.285	2.337	10	5		DEBERN
CC[C@@H](NS(=O)(=O)CCCF)c1cccc([N+](=O)[O-])c1	ZINC000175609302	402820852	/nfs/dbraw/zinc/82/08/52/402820852.db2.gz	SXOMIXAFQWYXEW-GFCCVEGCSA-N	0	0	304.343	2.325	10	5		DEBERN
Cc1cc(C)n([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)n1	ZINC000175668703	402824496	/nfs/dbraw/zinc/82/44/96/402824496.db2.gz	ZJVCIVFBFRMPDZ-LLVKDONJSA-N	0	0	303.322	2.311	10	5		DEBERN
CC(C)COC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1	ZINC000184329486	402836045	/nfs/dbraw/zinc/83/60/45/402836045.db2.gz	UVNSPCNSGFONKK-UHFFFAOYSA-N	0	0	321.377	2.454	10	5		DEBERN
CO[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[C@H]1C	ZINC000276089185	403145428	/nfs/dbraw/zinc/14/54/28/403145428.db2.gz	VFVDUZMTHWIYNR-MEBBXXQBSA-N	0	0	319.361	2.341	10	5		DEBERN
NC(=O)c1cc([N+](=O)[O-])cnc1NCc1cccc2cccnc21	ZINC000301073231	403585865	/nfs/dbraw/zinc/58/58/65/403585865.db2.gz	FSRZTDRUBFKGPV-UHFFFAOYSA-N	0	0	323.312	2.249	10	5		DEBERN
CC[C@H](C)CN(C)c1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1	ZINC000301774449	403676735	/nfs/dbraw/zinc/67/67/35/403676735.db2.gz	FXFSLYUHBBTUCF-JTQLQIEISA-N	0	0	300.380	2.481	10	5		DEBERN
O=C(NC1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1)C1CC1	ZINC000302788790	403726180	/nfs/dbraw/zinc/72/61/80/403726180.db2.gz	CVUQUUBKVLEUIG-UHFFFAOYSA-N	0	0	307.325	2.229	10	5		DEBERN
CC(=O)c1ccc(N2CC(F)(F)C[C@H]2CO)c([N+](=O)[O-])c1	ZINC000368723445	403837017	/nfs/dbraw/zinc/83/70/17/403837017.db2.gz	WIAHRELHSHMFOS-JTQLQIEISA-N	0	0	300.261	2.004	10	5		DEBERN
CNc1c(C(=O)N[C@@H](C)Cc2cc(C)n[nH]2)cccc1[N+](=O)[O-]	ZINC000360939086	404857505	/nfs/dbraw/zinc/85/75/05/404857505.db2.gz	XBRGQWVEFBKKEQ-VIFPVBQESA-N	0	0	317.349	2.029	10	5		DEBERN
C[C@@H]1CCOCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1	ZINC000367719234	405133819	/nfs/dbraw/zinc/13/38/19/405133819.db2.gz	HRJGOBASCZIAJY-CYBMUJFWSA-N	0	0	321.377	2.424	10	5		DEBERN
O=[N+]([O-])c1ccc(N2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cn1	ZINC000450414438	405885529	/nfs/dbraw/zinc/88/55/29/405885529.db2.gz	XREZBBMJBIRWBR-NSHDSACASA-N	0	0	314.349	2.369	10	5		DEBERN
COc1ccc(NC(=O)N[C@H]2CC[C@H](OC)C2)cc1[N+](=O)[O-]	ZINC000471948776	406131028	/nfs/dbraw/zinc/13/10/28/406131028.db2.gz	NBJOAEPMUWCWHQ-ONGXEEELSA-N	0	0	309.322	2.292	10	5		DEBERN
CCOc1ccc(C(=O)NCCn2cccc2)cc1[N+](=O)[O-]	ZINC000487531071	406241974	/nfs/dbraw/zinc/24/19/74/406241974.db2.gz	BWAKDKQNXFCSGV-UHFFFAOYSA-N	0	0	303.318	2.225	10	5		DEBERN
O=[N+]([O-])c1ccc(N[C@H]2CCCC[C@@H]2N2CCOCC2)cn1	ZINC000521718163	406363720	/nfs/dbraw/zinc/36/37/20/406363720.db2.gz	JZNIWNOFMOTVFB-KBPBESRZSA-N	0	0	306.366	2.045	10	5		DEBERN
NC(=O)c1cc(Br)cc(Br)c1[N+](=O)[O-]	ZINC000575694466	406818862	/nfs/dbraw/zinc/81/88/62/406818862.db2.gz	LGIDNELCXAJTQW-UHFFFAOYSA-N	0	0	323.928	2.219	10	5		DEBERN
COC(=O)Cc1c(Br)c([N+](=O)[O-])ccc1OC	ZINC000575713061	406822141	/nfs/dbraw/zinc/82/21/41/406822141.db2.gz	TWKPLYACEPKFBJ-UHFFFAOYSA-N	0	0	304.096	2.081	10	5		DEBERN
CCCCN(CC)S(=O)(=O)c1ccc([N+](=O)[O-])c(NC)c1	ZINC000131628145	196185672	/nfs/dbraw/zinc/18/56/72/196185672.db2.gz	ZDLGYZIXJIDZGO-UHFFFAOYSA-N	0	0	315.395	2.447	10	5		DEBERN
C[C@@H]1C[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000131753159	196196465	/nfs/dbraw/zinc/19/64/65/196196465.db2.gz	FZCYPACFXHJOTA-HTQZYQBOSA-N	0	0	304.755	2.183	10	5		DEBERN
CCNc1cc(S(=O)(=O)N(CC)C(C)C)ccc1[N+](=O)[O-]	ZINC000131887287	196207017	/nfs/dbraw/zinc/20/70/17/196207017.db2.gz	GMJRMPBWDSVEGP-UHFFFAOYSA-N	0	0	315.395	2.446	10	5		DEBERN
O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1c1nc[nH]n1	ZINC000132047020	196222205	/nfs/dbraw/zinc/22/22/05/196222205.db2.gz	HHWKGTJEYSUALD-GFCCVEGCSA-N	0	0	316.321	2.472	10	5		DEBERN
CS(=O)(=O)[C@H]1CCC[C@H]1Nc1c(F)cc(F)cc1[N+](=O)[O-]	ZINC000132352522	196248259	/nfs/dbraw/zinc/24/82/59/196248259.db2.gz	ARXNPIGRTKJISO-KOLCDFICSA-N	0	0	320.317	2.251	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCC[C@@H]1O	ZINC000133252342	196325662	/nfs/dbraw/zinc/32/56/62/196325662.db2.gz	AIQUYENLUGCLMD-GWCFXTLKSA-N	0	0	323.349	2.276	10	5		DEBERN
CSC(C)(C)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000134166038	196366540	/nfs/dbraw/zinc/36/65/40/196366540.db2.gz	KOLUKSVGUJVSFO-UHFFFAOYSA-N	0	0	322.383	2.154	10	5		DEBERN
CC[C@@H]1CC[C@@H](C)N1S(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1	ZINC000136510482	196539498	/nfs/dbraw/zinc/53/94/98/196539498.db2.gz	LQPGACSNSKLKNB-NXEZZACHSA-N	0	0	313.379	2.129	10	5		DEBERN
CC[C@@H]1CC[C@H](C)N1S(=O)(=O)c1ccc(N)cc1[N+](=O)[O-]	ZINC000136510050	196539752	/nfs/dbraw/zinc/53/97/52/196539752.db2.gz	AYKCLZUGXYUNLL-GXSJLCMTSA-N	0	0	313.379	2.129	10	5		DEBERN
COc1ccc(F)cc1CNC(=O)c1cccc([N+](=O)[O-])c1N	ZINC000188686542	225029516	/nfs/dbraw/zinc/02/95/16/225029516.db2.gz	FZAVXXICLPNTHO-UHFFFAOYSA-N	0	0	319.292	2.255	10	5		DEBERN
CSc1cccc(C(=O)N(C)CC2(CO)CC2)c1[N+](=O)[O-]	ZINC000189120399	225042873	/nfs/dbraw/zinc/04/28/73/225042873.db2.gz	BBDMEWGTWKFOKE-UHFFFAOYSA-N	0	0	310.375	2.161	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCCc2ccccc2C)n1	ZINC000191467439	225111229	/nfs/dbraw/zinc/11/12/29/225111229.db2.gz	KSJGYIBVMAFLFT-UHFFFAOYSA-N	0	0	302.334	2.092	10	5		DEBERN
Cn1cc(CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)nn1	ZINC000611930526	422480156	/nfs/dbraw/zinc/48/01/56/422480156.db2.gz	TXRLCFJSLBNNOD-UHFFFAOYSA-N	0	0	310.317	2.397	10	5		DEBERN
Cc1nn(C)c(C)c1CCNC(=O)c1cccc([N+](=O)[O-])c1C	ZINC000193312053	424868743	/nfs/dbraw/zinc/86/87/43/424868743.db2.gz	ZODDNRCKHPSZSU-UHFFFAOYSA-N	0	0	316.361	2.226	10	5		DEBERN
Cc1nn(C)c(C(=O)Nc2nc(C(C)C)cs2)c1[N+](=O)[O-]	ZINC000193881374	267767988	/nfs/dbraw/zinc/76/79/88/267767988.db2.gz	GSXOKMCYEOHFIS-UHFFFAOYSA-N	0	0	309.351	2.469	10	5		DEBERN
O=[N+]([O-])c1nn(C[C@H]2CCCC[C@H]2O)cc1Br	ZINC000393258012	269099312	/nfs/dbraw/zinc/09/93/12/269099312.db2.gz	HJYLTVZZIUYWIF-VXNVDRBHSA-N	0	0	304.144	2.105	10	5		DEBERN
Cc1cccc([N+](=O)[O-])c1N1C[C@H](C)[C@H](N2CCOCC2)C1	ZINC000267518346	274797166	/nfs/dbraw/zinc/79/71/66/274797166.db2.gz	FCUZOOIEHAREGI-DZGCQCFKSA-N	0	0	305.378	2.060	10	5		DEBERN
CC(C)COC1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1	ZINC000180713508	277423417	/nfs/dbraw/zinc/42/34/17/277423417.db2.gz	DGAJZOHBJOBREN-UHFFFAOYSA-N	0	0	321.377	2.454	10	5		DEBERN
CCOc1cc(CSCCOCCO)ccc1[N+](=O)[O-]	ZINC000573389066	326052859	/nfs/dbraw/zinc/05/28/59/326052859.db2.gz	IJUTUSMVAHKWIN-UHFFFAOYSA-N	0	0	301.364	2.236	10	5		DEBERN
O=[N+]([O-])c1ccc2c(c1)N(Cc1ccccc1)C[C@H](CO)O2	ZINC000584626631	337376007	/nfs/dbraw/zinc/37/60/07/337376007.db2.gz	WDJOKCCVRVRTPG-CQSZACIVSA-N	0	0	300.314	2.355	10	5		DEBERN
CC(C)(C(=O)NC[C@H](CO)C1CC1)c1ccc([N+](=O)[O-])cc1	ZINC000358323768	534345766	/nfs/dbraw/zinc/34/57/66/534345766.db2.gz	STHHEFQVBDDUGB-GFCCVEGCSA-N	0	0	306.362	2.007	10	5		DEBERN
CC(=O)C[C@H](C)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1	ZINC000359402562	534737180	/nfs/dbraw/zinc/73/71/80/534737180.db2.gz	SEIIADIAGRNDGC-ZETCQYMHSA-N	0	0	316.260	2.294	10	5		DEBERN
Cc1ccc(N[C@H]2CCN(C3CCOCC3)C2=O)c([N+](=O)[O-])c1	ZINC000364889033	525320883	/nfs/dbraw/zinc/32/08/83/525320883.db2.gz	QOKOMQPEYAOVLV-AWEZNQCLSA-N	0	0	319.361	2.095	10	5		DEBERN
Cc1sc(C(=O)N(C)[C@@H](C)C(=O)OC(C)C)cc1[N+](=O)[O-]	ZINC000130251543	526870571	/nfs/dbraw/zinc/87/05/71/526870571.db2.gz	STFCLPCKRBHWHN-QMMMGPOBSA-N	0	0	314.363	2.377	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2cnn([C@@H](C)C3CC3)c2)n1	ZINC000191717531	529155210	/nfs/dbraw/zinc/15/52/10/529155210.db2.gz	GFRZJBBDZAWEDR-VIFPVBQESA-N	0	0	318.337	2.231	10	5		DEBERN
CC(C)N1CC[C@@H](N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)C1=O	ZINC000177133755	625853996	/nfs/dbraw/zinc/85/39/96/625853996.db2.gz	WQXJBBCZWZOAHS-IAQYHMDHSA-N	0	0	303.362	2.355	10	5		DEBERN
CCOc1ccc(C(=O)NC2CCC(C)(O)CC2)cc1[N+](=O)[O-]	ZINC000749458194	638651598	/nfs/dbraw/zinc/65/15/98/638651598.db2.gz	VQUBLDSUWGXBKH-UHFFFAOYSA-N	0	0	322.361	2.417	10	5		DEBERN
C/C(=C/C(=O)NCC(=O)OCC1CC1)c1ccc([N+](=O)[O-])cc1	ZINC000751874084	639130524	/nfs/dbraw/zinc/13/05/24/639130524.db2.gz	CRODKZMERALKPI-FLIBITNWSA-N	0	0	318.329	2.068	10	5		DEBERN
O=[N+]([O-])c1cccc2ncnc(N3CCO[C@H](C(F)F)C3)c21	ZINC000800876333	645315352	/nfs/dbraw/zinc/31/53/52/645315352.db2.gz	CTJLQFRAOGQBEV-JTQLQIEISA-N	0	0	310.260	2.008	10	5		DEBERN
Cc1ccc(NC(=O)N2CCO[C@H](C(F)F)C2)cc1[N+](=O)[O-]	ZINC000801606953	645423589	/nfs/dbraw/zinc/42/35/89/645423589.db2.gz	YPBQNPHKMYXJKL-NSHDSACASA-N	0	0	315.276	2.401	10	5		DEBERN
C/C(=C\C(=O)OC[C@]1(C)CNC(=O)C1)c1ccc([N+](=O)[O-])cc1	ZINC000802191541	645495054	/nfs/dbraw/zinc/49/50/54/645495054.db2.gz	INPXFMOBWOJBNM-BPLPYTOXSA-N	0	0	318.329	2.068	10	5		DEBERN
Cc1nc([N+](=O)[O-])cn1CCC(=O)OC[C@@H]1Cc2ccccc21	ZINC000803320637	645634247	/nfs/dbraw/zinc/63/42/47/645634247.db2.gz	XCEAADBOCGULDX-ZDUSSCGKSA-N	0	0	315.329	2.373	10	5		DEBERN
C[C@@H]1CN(Cn2cc([N+](=O)[O-])cn2)C[C@H](c2ccc(F)cc2)O1	ZINC000172924869	646754155	/nfs/dbraw/zinc/75/41/55/646754155.db2.gz	AZRPIWCEPGQSMZ-IAQYHMDHSA-N	0	0	320.324	2.350	10	5		DEBERN
C[C@H]1CN(Cn2nccc2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1	ZINC000172925963	646755287	/nfs/dbraw/zinc/75/52/87/646755287.db2.gz	XXUPANUMZBYCDT-SMDDNHRTSA-N	0	0	320.324	2.350	10	5		DEBERN
C[C@H](OC(=O)C1=COCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000730852892	647420892	/nfs/dbraw/zinc/42/08/92/647420892.db2.gz	ULUHCDBLLOQTFQ-JTQLQIEISA-N	0	0	320.301	2.159	10	5		DEBERN
CC1(CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCC1	ZINC000175695750	648358720	/nfs/dbraw/zinc/35/87/20/648358720.db2.gz	YIWQBRXDCKDRLY-UHFFFAOYSA-N	0	0	302.327	2.202	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)OCC(=O)N1CCCCCC1	ZINC000101707072	649843272	/nfs/dbraw/zinc/84/32/72/649843272.db2.gz	ZYDIQKQSUFUHIY-UHFFFAOYSA-N	0	0	320.345	2.463	10	5		DEBERN
CNC(=O)Cc1nc(CNc2cc([N+](=O)[O-])ccc2F)cs1	ZINC000133373356	684219186	/nfs/dbraw/zinc/21/91/86/684219186.db2.gz	VTVBHTSBGYKFJK-UHFFFAOYSA-N	0	0	324.337	2.091	10	5		DEBERN
Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)n1	ZINC000134163323	684226097	/nfs/dbraw/zinc/22/60/97/684226097.db2.gz	RPPZXWXLCJQOFC-UHFFFAOYSA-N	0	0	314.345	2.294	10	5		DEBERN
CN1C[C@@H](CNc2cc(Cl)c(F)cc2[N+](=O)[O-])CC1=O	ZINC000723353209	777103450	/nfs/dbraw/zinc/10/34/50/777103450.db2.gz	ZEZRQXJIJJRVOM-SSDOTTSWSA-N	0	0	301.705	2.278	10	5		DEBERN
CSC[C@H](CCO)NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1	ZINC000588446955	777203538	/nfs/dbraw/zinc/20/35/38/777203538.db2.gz	XQWXEIQSEZTHJW-FUWURINLSA-N	0	0	324.402	2.228	10	5		DEBERN
CO[C@H]1CC[C@@H]1N(C)c1ncc(Br)cc1[N+](=O)[O-]	ZINC000724125997	777250363	/nfs/dbraw/zinc/25/03/63/777250363.db2.gz	JXESYLYUOCCPAZ-WPRPVWTQSA-N	0	0	316.155	2.366	10	5		DEBERN
CO[C@@]1(CNc2nc3sccn3c2[N+](=O)[O-])CCSC1	ZINC000719253757	1088914891	/nfs/dbraw/zinc/91/48/91/1088914891.db2.gz	UVGOAQNCYIDDLI-LLVKDONJSA-N	0	0	314.392	2.238	10	5		DEBERN
C[C@@](O)(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccco1	ZINC000585206843	1144372787	/nfs/dbraw/zinc/37/27/87/1144372787.db2.gz	QQYNAFAKOXNBQH-CQSZACIVSA-N	0	0	324.720	2.479	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(CC(=O)Nc2ccccc2Cl)c1=O	ZINC000096778092	185387158	/nfs/dbraw/zinc/38/71/58/185387158.db2.gz	JNDZOLMXMFMNTG-UHFFFAOYSA-N	0	0	321.720	2.357	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn([C@H](C)C(=O)Nc2ccccc2)c1=O	ZINC000096778145	185387242	/nfs/dbraw/zinc/38/72/42/185387242.db2.gz	LTYHVQCPTFQLIQ-LLVKDONJSA-N	0	0	301.302	2.265	10	5		DEBERN
CC1(C)C[C@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000152493249	282146465	/nfs/dbraw/zinc/14/64/65/282146465.db2.gz	VCDSQAIGZGHEMV-PWSUYJOCSA-N	0	0	304.350	2.049	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(N(C)C)n1	ZINC000183947224	282168693	/nfs/dbraw/zinc/16/86/93/282168693.db2.gz	GFDISZIEYQBNHC-UHFFFAOYSA-N	0	0	301.306	2.012	10	5		DEBERN
C[C@H](CNc1c(F)cc([N+](=O)[O-])c2cccnc21)[S@](C)=O	ZINC000165452786	197675886	/nfs/dbraw/zinc/67/58/86/197675886.db2.gz	HKXIUOHCFBHJLJ-IJSAXESFSA-N	0	0	311.338	2.461	10	5		DEBERN
CC[C@@H](NC(=O)c1nn(CC)cc1[N+](=O)[O-])c1nccs1	ZINC000191626828	529679488	/nfs/dbraw/zinc/67/94/88/529679488.db2.gz	VMXUMSHZJVFOHA-MRVPVSSYSA-N	0	0	309.351	2.149	10	5		DEBERN
CCCc1nn(C)c(S[C@H](C)CC(=O)OC)c1[N+](=O)[O-]	ZINC000090100584	185281875	/nfs/dbraw/zinc/28/18/75/185281875.db2.gz	QSOUOFWABGDOLN-MRVPVSSYSA-N	0	0	301.368	2.325	10	5		DEBERN
COC(=O)[C@H](C)CSCc1nc2ccccn2c1[N+](=O)[O-]	ZINC000090103255	185282154	/nfs/dbraw/zinc/28/21/54/185282154.db2.gz	BFKPCERQDALEGL-SECBINFHSA-N	0	0	309.347	2.285	10	5		DEBERN
COc1ncc(Br)c(/C=C\N(C)C)c1[N+](=O)[O-]	ZINC000090555752	185303207	/nfs/dbraw/zinc/30/32/07/185303207.db2.gz	BNKMXMCVPWPRMR-PLNGDYQASA-N	0	0	302.128	2.293	10	5		DEBERN
CCc1nc(C(C)(C)NC(=O)Cc2ccccc2[N+](=O)[O-])no1	ZINC000441699924	529712097	/nfs/dbraw/zinc/71/20/97/529712097.db2.gz	ZAUSQGZPPWFCRI-UHFFFAOYSA-N	0	0	318.333	2.134	10	5		DEBERN
Cc1nn(C)c(N[C@@H]2CCN(c3ccccc3)C2)c1[N+](=O)[O-]	ZINC000264405562	282274393	/nfs/dbraw/zinc/27/43/93/282274393.db2.gz	NENMDLJCLWRSKS-GFCCVEGCSA-N	0	0	301.350	2.328	10	5		DEBERN
CCOC(=O)[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000181574986	199320047	/nfs/dbraw/zinc/32/00/47/199320047.db2.gz	OXGBMKROLDTWNK-SECBINFHSA-N	0	0	312.347	2.132	10	5		DEBERN
CNC(=O)c1ccc(N[C@@H]2CCC[C@@H](OC)C2)c([N+](=O)[O-])c1	ZINC000301790258	529942886	/nfs/dbraw/zinc/94/28/86/529942886.db2.gz	QZQCCSSMEOAIGM-VXGBXAGGSA-N	0	0	307.350	2.324	10	5		DEBERN
O=C(N[C@@H]1CCCn2ncnc21)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000177532807	295751435	/nfs/dbraw/zinc/75/14/35/295751435.db2.gz	VINTYSHVABUESG-SNVBAGLBSA-N	0	0	321.724	2.105	10	5		DEBERN
Cn1nccc1CCC(=O)N1CCCc2c([N+](=O)[O-])cccc21	ZINC000121550066	185815569	/nfs/dbraw/zinc/81/55/69/185815569.db2.gz	CYQXOJAJKAFGPF-UHFFFAOYSA-N	0	0	314.345	2.240	10	5		DEBERN
CCCN(CCC(=O)OC)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1	ZINC000071637868	190996055	/nfs/dbraw/zinc/99/60/55/190996055.db2.gz	QNQCHVRMWNGHFN-RMKNXTFCSA-N	0	0	320.345	2.410	10	5		DEBERN
Cc1c(F)cc(S(=O)(=O)N(C)CC2CC2)cc1[N+](=O)[O-]	ZINC000133633530	186001486	/nfs/dbraw/zinc/00/14/86/186001486.db2.gz	KTBAAJXANOHUPL-UHFFFAOYSA-N	0	0	302.327	2.073	10	5		DEBERN
O=C(NCCCc1ncc[nH]1)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000141158406	186029328	/nfs/dbraw/zinc/02/93/28/186029328.db2.gz	PEOJGIFPKUDEFR-UHFFFAOYSA-N	0	0	308.725	2.334	10	5		DEBERN
CNc1nc(OC)nc(Oc2ccc([N+](=O)[O-])cc2Cl)n1	ZINC000147835705	186042075	/nfs/dbraw/zinc/04/20/75/186042075.db2.gz	BIPVHICXQBJXHN-UHFFFAOYSA-N	0	0	311.685	2.276	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)Cc1ccc(O)cc1	ZINC000152449990	186074435	/nfs/dbraw/zinc/07/44/35/186074435.db2.gz	MQGKSWMRVRUZSP-JTQLQIEISA-N	0	0	315.329	2.365	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCN(C2CC2)CC1	ZINC000152676251	186096500	/nfs/dbraw/zinc/09/65/00/186096500.db2.gz	XTNOSUZLVPKVFA-UHFFFAOYSA-N	0	0	309.753	2.168	10	5		DEBERN
Cn1cc([C@H]2CCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)cn1	ZINC000173520554	198222968	/nfs/dbraw/zinc/22/29/68/198222968.db2.gz	LPGCLMFOEHTNLQ-OAHLLOKOSA-N	0	0	314.345	2.235	10	5		DEBERN
Cc1ccc(CN(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])o1	ZINC000073092618	191278963	/nfs/dbraw/zinc/27/89/63/191278963.db2.gz	SHVLIWONMCCAOA-UHFFFAOYSA-N	0	0	303.318	2.227	10	5		DEBERN
O=c1c2cc([N+](=O)[O-])ccc2ncn1Cc1nc2ccccc2o1	ZINC000050510997	354373017	/nfs/dbraw/zinc/37/30/17/354373017.db2.gz	ACFZNWAUSCUEIV-UHFFFAOYSA-N	0	0	322.280	2.494	10	5		DEBERN
CCN(CC)C(=O)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1	ZINC000058544442	354594001	/nfs/dbraw/zinc/59/40/01/354594001.db2.gz	VFTWEMNOSNISIL-UHFFFAOYSA-N	0	0	306.366	2.075	10	5		DEBERN
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2C[C@@H]2c2cccs2)c1	ZINC000074777514	191359547	/nfs/dbraw/zinc/35/95/47/191359547.db2.gz	LEZBBMJOLBUXMH-RYUDHWBXSA-N	0	0	324.383	2.491	10	5		DEBERN
CC(=O)c1ccc(N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c([N+](=O)[O-])c1	ZINC000078565557	355267527	/nfs/dbraw/zinc/26/75/27/355267527.db2.gz	LCUFELQNPAFBFN-IUPBHXKESA-N	0	0	317.345	2.219	10	5		DEBERN
COC(=O)C(C)(C)CNc1cc(OC)cc(F)c1[N+](=O)[O-]	ZINC000092677431	355645714	/nfs/dbraw/zinc/64/57/14/355645714.db2.gz	UJVDVEGRTYGQMM-UHFFFAOYSA-N	0	0	300.286	2.354	10	5		DEBERN
Cc1ccc(C[C@H](C)N(C)C(=O)Cn2ccc([N+](=O)[O-])n2)cc1	ZINC000128885948	355831073	/nfs/dbraw/zinc/83/10/73/355831073.db2.gz	GWUVBULMZHZJOJ-ZDUSSCGKSA-N	0	0	316.361	2.189	10	5		DEBERN
C[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1	ZINC000005696309	181273317	/nfs/dbraw/zinc/27/33/17/181273317.db2.gz	KPWOPWOLXCRNPP-SNVBAGLBSA-N	0	0	307.306	2.304	10	5		DEBERN
CC(=O)CCC(C)(C)c1nc(-c2c([N+](=O)[O-])ncn2C)no1	ZINC000350890530	356582938	/nfs/dbraw/zinc/58/29/38/356582938.db2.gz	QFQYBIBVNJPFOC-UHFFFAOYSA-N	0	0	307.310	2.025	10	5		DEBERN
CN1CCO[C@@H](CSCc2ccc([N+](=O)[O-])cc2F)C1	ZINC000400797791	356724906	/nfs/dbraw/zinc/72/49/06/356724906.db2.gz	OJVDXTLJEJMHIY-GFCCVEGCSA-N	0	0	300.355	2.298	10	5		DEBERN
COC(=O)c1cc(N[C@@H]2C[C@H]3CC[C@@H]2O3)cc(C)c1[N+](=O)[O-]	ZINC000177827117	198784848	/nfs/dbraw/zinc/78/48/48/198784848.db2.gz	KVRYDCRGODXVIT-RTXFEEFZSA-N	0	0	306.318	2.422	10	5		DEBERN
C[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])C1(S(C)(=O)=O)CC1	ZINC000588072548	357392130	/nfs/dbraw/zinc/39/21/30/357392130.db2.gz	HONGTDIGDVNZMY-ZETCQYMHSA-N	0	0	319.770	2.021	10	5		DEBERN
Cc1c(F)cc(S(=O)(=O)N2CC[C@H](C)[C@@H]2C)cc1[N+](=O)[O-]	ZINC000185036549	199799279	/nfs/dbraw/zinc/79/92/79/199799279.db2.gz	DYHQYQMNENZSEZ-WPRPVWTQSA-N	0	0	316.354	2.461	10	5		DEBERN
C[C@H](NCc1nnc(C2CC2)n1C)c1cccc([N+](=O)[O-])c1	ZINC000180395216	199154055	/nfs/dbraw/zinc/15/40/55/199154055.db2.gz	WDYPBUMTFASROX-JTQLQIEISA-N	0	0	301.350	2.452	10	5		DEBERN
CC(=O)N(C)c1ccccc1NCc1onc(C)c1[N+](=O)[O-]	ZINC000596031139	358596651	/nfs/dbraw/zinc/59/66/51/358596651.db2.gz	VLXKWVFTZCVMMO-UHFFFAOYSA-N	0	0	304.306	2.486	10	5		DEBERN
C[C@H]1C[C@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000171071018	291158621	/nfs/dbraw/zinc/15/86/21/291158621.db2.gz	APJINFFMCAHQCB-WCQYABFASA-N	0	0	303.362	2.336	10	5		DEBERN
Cc1sc(C(=O)N(C)[C@@H](CO)CC(C)C)cc1[N+](=O)[O-]	ZINC000187129154	200066906	/nfs/dbraw/zinc/06/69/06/200066906.db2.gz	GSCGKXXROXYFCW-SNVBAGLBSA-N	0	0	300.380	2.444	10	5		DEBERN
CO[C@H]1CN(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC[C@H]1C	ZINC000187363358	200101671	/nfs/dbraw/zinc/10/16/71/200101671.db2.gz	FDSPSDLRRVVUHQ-RISCZKNCSA-N	0	0	307.350	2.161	10	5		DEBERN
CC(=O)N1C[C@@H]2CCC[C@H](Nc3ncc(F)cc3[N+](=O)[O-])[C@@H]2C1	ZINC000601165837	359949342	/nfs/dbraw/zinc/94/93/42/359949342.db2.gz	IWBNZQWLTBFGAK-UHTWSYAYSA-N	0	0	322.340	2.188	10	5		DEBERN
CC(C)c1ccc(C(=O)NCc2ccnn2C)cc1[N+](=O)[O-]	ZINC000188995768	200332139	/nfs/dbraw/zinc/33/21/39/200332139.db2.gz	KVNCSVGSZZPRGY-UHFFFAOYSA-N	0	0	302.334	2.382	10	5		DEBERN
O=[N+]([O-])c1ccc2oc(CN3CCSC[C@@H]3CCO)nc2c1	ZINC000610737435	361456122	/nfs/dbraw/zinc/45/61/22/361456122.db2.gz	KFMIZHTYQLDWCJ-NSHDSACASA-N	0	0	323.374	2.036	10	5		DEBERN
CCN1CC[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C1=O	ZINC000619794551	363877616	/nfs/dbraw/zinc/87/76/16/363877616.db2.gz	HRSXQVDNGGQIHR-GFCCVEGCSA-N	0	0	300.318	2.176	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NCC(C)(C)c1ccncc1	ZINC000091844024	193116206	/nfs/dbraw/zinc/11/62/06/193116206.db2.gz	XOAWBDKAQOIJBV-UHFFFAOYSA-N	0	0	314.345	2.401	10	5		DEBERN
[NH3+][C@@]1(C(=O)[O-])CCC[C@H](Oc2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000093775139	193305391	/nfs/dbraw/zinc/30/53/91/193305391.db2.gz	ULPNJIYSAHTHDM-ZANVPECISA-N	0	0	314.725	2.352	10	5		DEBERN
C[NH2+][C@]1(C(=O)[O-])CC[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)C1	ZINC000093847079	193318073	/nfs/dbraw/zinc/31/80/73/193318073.db2.gz	QJCZDMXFQSKNRJ-NOZJJQNGSA-N	0	0	314.725	2.222	10	5		DEBERN
Nc1cc([N+](=O)[O-])ccc1-c1nc([C@H]2CSCCO2)no1	ZINC000094501638	193374815	/nfs/dbraw/zinc/37/48/15/193374815.db2.gz	AINWDMFULOSGRE-SNVBAGLBSA-N	0	0	308.319	2.032	10	5		DEBERN
CNc1cc(Cn2cc(Cl)c([N+](=O)[O-])n2)ccc1[N+](=O)[O-]	ZINC000094777539	193396281	/nfs/dbraw/zinc/39/62/81/193396281.db2.gz	VCAUPLPWGQIISE-UHFFFAOYSA-N	0	0	311.685	2.443	10	5		DEBERN
CCC(CC)N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1C	ZINC000094780544	193397669	/nfs/dbraw/zinc/39/76/69/193397669.db2.gz	ZBKJHXPTRPEJLJ-UHFFFAOYSA-N	0	0	315.395	2.295	10	5		DEBERN
CC[C@H](C)N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(NC)cc1C	ZINC000094780487	193397779	/nfs/dbraw/zinc/39/77/79/193397779.db2.gz	FXVYMMTWEJWPCM-JTQLQIEISA-N	0	0	315.395	2.364	10	5		DEBERN
CC[C@@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1C	ZINC000094780348	193398087	/nfs/dbraw/zinc/39/80/87/193398087.db2.gz	KTUNEUMKSRLABZ-SNVBAGLBSA-N	0	0	313.379	2.049	10	5		DEBERN
COC(=O)c1cc(N[C@@H]2C[C@H](O)C2(C)C)cc(C)c1[N+](=O)[O-]	ZINC000274981353	212056471	/nfs/dbraw/zinc/05/64/71/212056471.db2.gz	BTYQKFGHNWXKSI-NEPJUHHUSA-N	0	0	308.334	2.261	10	5		DEBERN
O=C(N[C@H]1CCCn2ncnc21)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000177543966	284191487	/nfs/dbraw/zinc/19/14/87/284191487.db2.gz	LEXQYZIOPAAIJW-JTQLQIEISA-N	0	0	321.724	2.105	10	5		DEBERN
O=C(N[C@H]1Cc2ccccc2[C@@H]1O)c1ccc([N+](=O)[O-])cc1F	ZINC000178313716	284263900	/nfs/dbraw/zinc/26/39/00/284263900.db2.gz	WVBHEXDTNFNUFQ-GJZGRUSLSA-N	0	0	316.288	2.122	10	5		DEBERN
O=C([O-])c1ccccc1C[NH2+]CCNc1ccc([N+](=O)[O-])cc1	ZINC000010315609	181664700	/nfs/dbraw/zinc/66/47/00/181664700.db2.gz	KVKVUIGBSJNJKG-UHFFFAOYSA-N	0	0	315.329	2.495	10	5		DEBERN
O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCCC12CCC2	ZINC000368431991	296189233	/nfs/dbraw/zinc/18/92/33/296189233.db2.gz	HOFHGOOGIDDMGG-UHFFFAOYSA-N	0	0	304.302	2.482	10	5		DEBERN
CCCCN1C[C@@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1=O	ZINC000021451014	182274542	/nfs/dbraw/zinc/27/45/42/182274542.db2.gz	CZNISWIFJLBIJT-JTQLQIEISA-N	0	0	323.324	2.321	10	5		DEBERN
C[C@@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000037911744	182936572	/nfs/dbraw/zinc/93/65/72/182936572.db2.gz	ABZHBCPAEXYVSD-MRVPVSSYSA-N	0	0	304.755	2.421	10	5		DEBERN
CC(C)(C)NN=c1nc[nH]c(NCc2ccco2)c1[N+](=O)[O-]	ZINC000040645522	183113256	/nfs/dbraw/zinc/11/32/56/183113256.db2.gz	ZZDIGWHYZZHGFB-UHFFFAOYSA-N	0	0	306.326	2.305	10	5		DEBERN
O=[N+]([O-])c1c(NCCc2cccs2)ncnc1-n1ccnc1	ZINC000040661659	183114926	/nfs/dbraw/zinc/11/49/26/183114926.db2.gz	DQDKHFUFWWOBIZ-UHFFFAOYSA-N	0	0	316.346	2.287	10	5		DEBERN
COCCNc1ncnc(N2CCc3ccccc32)c1[N+](=O)[O-]	ZINC000040586175	183105896	/nfs/dbraw/zinc/10/58/96/183105896.db2.gz	OLXCGLMIGPEXNF-UHFFFAOYSA-N	0	0	315.333	2.137	10	5		DEBERN
COCCNc1ncnc(N(C)c2ccccc2)c1[N+](=O)[O-]	ZINC000040625425	183110478	/nfs/dbraw/zinc/11/04/78/183110478.db2.gz	XSHFBVHDIRKLNK-UHFFFAOYSA-N	0	0	303.322	2.211	10	5		DEBERN
CC1=CC(=O)N(c2cc([N+](=O)[O-])ccc2Br)C1=O	ZINC000159474780	197356704	/nfs/dbraw/zinc/35/67/04/197356704.db2.gz	VBYUBDYUULGLCQ-UHFFFAOYSA-N	0	0	311.091	2.177	10	5		DEBERN
CCc1nccn1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1	ZINC000105851198	194146500	/nfs/dbraw/zinc/14/65/00/194146500.db2.gz	UKRMROROLIWXRS-LLVKDONJSA-N	0	0	318.333	2.424	10	5		DEBERN
CNc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1CCCC1	ZINC000050653337	183795133	/nfs/dbraw/zinc/79/51/33/183795133.db2.gz	DZAQFMGJJHUGJM-UHFFFAOYSA-N	0	0	313.379	2.105	10	5		DEBERN
CC[C@@H](NS(=O)(=O)c1ccc(NC)cc1[N+](=O)[O-])C(C)C	ZINC000050671500	183798059	/nfs/dbraw/zinc/79/80/59/183798059.db2.gz	ABZUBLRHLZEXQW-LLVKDONJSA-N	0	0	315.395	2.349	10	5		DEBERN
NNc1ccc(Cl)c(C(=O)Nc2ccc([N+](=O)[O-])cc2)n1	ZINC000051122440	183816561	/nfs/dbraw/zinc/81/65/61/183816561.db2.gz	KMIQYKXFVUGKLT-UHFFFAOYSA-N	0	0	307.697	2.181	10	5		DEBERN
COc1ccc(Cn2ncc([N+](=O)[O-])c2N)c(Cl)c1OC	ZINC000110823592	194362073	/nfs/dbraw/zinc/36/20/73/194362073.db2.gz	LTEZHNOWNCHOES-UHFFFAOYSA-N	0	0	312.713	2.092	10	5		DEBERN
CCCOc1cc(NCCCS(C)(=O)=O)ccc1[N+](=O)[O-]	ZINC000111047362	194387127	/nfs/dbraw/zinc/38/71/27/194387127.db2.gz	XLQAABDWCVRITD-UHFFFAOYSA-N	0	0	316.379	2.230	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1OCCO2	ZINC000055951569	184001853	/nfs/dbraw/zinc/00/18/53/184001853.db2.gz	WWVDSINXOOFSFU-UHFFFAOYSA-N	0	0	315.285	2.322	10	5		DEBERN
CNc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCC2(C)C)c1	ZINC000063074899	184269242	/nfs/dbraw/zinc/26/92/42/184269242.db2.gz	WCDQPBYCEWJTOW-UHFFFAOYSA-N	0	0	313.379	2.200	10	5		DEBERN
C[NH2+][C@](C)(C[C@H](C)Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000068650988	184496424	/nfs/dbraw/zinc/49/64/24/184496424.db2.gz	AUZGUDAFHBHRDY-ISVAXAHUSA-N	0	0	316.741	2.468	10	5		DEBERN
CC(=O)c1cnc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)s1	ZINC000118683888	194914852	/nfs/dbraw/zinc/91/48/52/194914852.db2.gz	UKWFIGZOIBHHIE-UHFFFAOYSA-N	0	0	324.293	2.228	10	5		DEBERN
O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCC[C@@H]1O	ZINC000158251155	197257283	/nfs/dbraw/zinc/25/72/83/197257283.db2.gz	VIHMGECIJWGJMZ-FZMZJTMJSA-N	0	0	324.402	2.354	10	5		DEBERN
Nc1ncnc(Oc2ccc(Cl)cc2[N+](=O)[O-])c1[N+](=O)[O-]	ZINC000158242796	197255996	/nfs/dbraw/zinc/25/59/96/197255996.db2.gz	RVUPYZJYRIEWQJ-UHFFFAOYSA-N	0	0	311.641	2.321	10	5		DEBERN
COc1cc(N)ccc1[S@](=O)Cc1cccc([N+](=O)[O-])c1	ZINC000157499342	197192169	/nfs/dbraw/zinc/19/21/69/197192169.db2.gz	QCLKXKHISDYYGU-NRFANRHFSA-N	0	0	306.343	2.493	10	5		DEBERN
CNc1cccc(C(=O)NCCc2cscn2)c1[N+](=O)[O-]	ZINC000157033633	197157423	/nfs/dbraw/zinc/15/74/23/197157423.db2.gz	CSUPCTDYEZSNGO-UHFFFAOYSA-N	0	0	306.347	2.066	10	5		DEBERN
COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCCC[C@H]1O	ZINC000156104122	197087058	/nfs/dbraw/zinc/08/70/58/197087058.db2.gz	OWUASKBAVKKJAN-CMPLNLGQSA-N	0	0	309.322	2.028	10	5		DEBERN
CNc1cc(C(=O)NC[C@H]2CCCS2)c([N+](=O)[O-])cc1F	ZINC000155964368	197077755	/nfs/dbraw/zinc/07/77/55/197077755.db2.gz	PBNQWWIXHIXBIM-MRVPVSSYSA-N	0	0	313.354	2.401	10	5		DEBERN
C[C@@H]1CN(C)C[C@@H](C)N1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1	ZINC000155238688	197035476	/nfs/dbraw/zinc/03/54/76/197035476.db2.gz	ZWYOCZYCFSMJKA-NXEZZACHSA-N	0	0	311.769	2.413	10	5		DEBERN
CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(N)c2)CC1	ZINC000113327002	256584970	/nfs/dbraw/zinc/58/49/70/256584970.db2.gz	SQDDRYKOQRWTMK-UHFFFAOYSA-N	0	0	322.365	2.234	10	5		DEBERN
CNc1cc(C(=O)N(C)CCSC)c([N+](=O)[O-])cc1F	ZINC000124668224	195666360	/nfs/dbraw/zinc/66/63/60/195666360.db2.gz	XYHAITFAVSZMDD-UHFFFAOYSA-N	0	0	301.343	2.211	10	5		DEBERN
Cc1ccc([C@@H](C)NC(=O)c2c([N+](=O)[O-])cnn2C)cc1F	ZINC000126257776	195824193	/nfs/dbraw/zinc/82/41/93/195824193.db2.gz	VBSBXLKIXLRRTP-SECBINFHSA-N	0	0	306.297	2.267	10	5		DEBERN
CSc1cccc(C(=O)NC[C@H](CO)C2CC2)c1[N+](=O)[O-]	ZINC000359823981	133147102	/nfs/dbraw/zinc/14/71/02/133147102.db2.gz	RDYJSFHAYDZIBR-SNVBAGLBSA-N	0	0	310.375	2.065	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccn(C)n1	ZINC000361872567	133196878	/nfs/dbraw/zinc/19/68/78/133196878.db2.gz	SRVUMIPCORZCPU-UHFFFAOYSA-N	0	0	303.322	2.267	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2CCc3nccn3C2)n1	ZINC000548723312	285784929	/nfs/dbraw/zinc/78/49/29/285784929.db2.gz	QZAXWCSSCVXGHC-GFCCVEGCSA-N	0	0	301.350	2.478	10	5		DEBERN
Cc1ccc2c(n1)OCCN2C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000180467576	144889502	/nfs/dbraw/zinc/88/95/02/144889502.db2.gz	CCPBZRZFOKDCAG-UHFFFAOYSA-N	0	0	313.313	2.266	10	5		DEBERN
CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCNC(=O)[C@H]1C	ZINC000189320405	145025643	/nfs/dbraw/zinc/02/56/43/145025643.db2.gz	JPQYMLJIKYVMLH-GFCCVEGCSA-N	0	0	321.377	2.092	10	5		DEBERN
COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccc([N+](=O)[O-])cc1	ZINC000248788051	145168102	/nfs/dbraw/zinc/16/81/02/145168102.db2.gz	CVUMVJYMRITGSG-QEJZJMRPSA-N	0	0	304.346	2.368	10	5		DEBERN
COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])s1	ZINC000248893090	145173077	/nfs/dbraw/zinc/17/30/77/145173077.db2.gz	ZHBTXVKPQOTMSA-AUTRQRHGSA-N	0	0	324.358	2.070	10	5		DEBERN
CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](CO)C1CC1	ZINC000358350540	147118273	/nfs/dbraw/zinc/11/82/73/147118273.db2.gz	KYXUGGCLQWHFGM-DZGCQCFKSA-N	0	0	320.389	2.298	10	5		DEBERN
Cc1ccc(S(=O)(=O)N2CCCCCO2)c([N+](=O)[O-])c1	ZINC000408286611	292173398	/nfs/dbraw/zinc/17/33/98/292173398.db2.gz	MJECEPFFLSHMCN-UHFFFAOYSA-N	0	0	300.336	2.009	10	5		DEBERN
O=[N+]([O-])c1ccc(N2CC[C@H](c3nc(C4CC4)no3)C2)nc1	ZINC000375258871	148348472	/nfs/dbraw/zinc/34/84/72/148348472.db2.gz	SOWZDFYJXSZZAQ-JTQLQIEISA-N	0	0	301.306	2.244	10	5		DEBERN
C[C@@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)C(C)(C)C	ZINC000112248707	401734470	/nfs/dbraw/zinc/73/44/70/401734470.db2.gz	GQORPBCUPNLNCI-SECBINFHSA-N	0	0	321.333	2.054	10	5		DEBERN
CCn1nc(C)cc1C(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	ZINC000013699976	401803175	/nfs/dbraw/zinc/80/31/75/401803175.db2.gz	BCZBVKTWQPPWTG-UHFFFAOYSA-N	0	0	304.306	2.381	10	5		DEBERN
CC(C)CC[C@](C)(O)CNC(=O)COc1ccc([N+](=O)[O-])cc1	ZINC000075127624	401750377	/nfs/dbraw/zinc/75/03/77/401750377.db2.gz	VPMFHYOTQZZXLN-INIZCTEOSA-N	0	0	324.377	2.277	10	5		DEBERN
Cc1ccc([C@H]2CCCCN2C(=O)Cn2ccc([N+](=O)[O-])n2)o1	ZINC000127789026	401750517	/nfs/dbraw/zinc/75/05/17/401750517.db2.gz	GXMBOHDBFSUNAY-GFCCVEGCSA-N	0	0	318.333	2.447	10	5		DEBERN
O=C(NCc1cccc([N+](=O)[O-])c1)c1cccc(-n2cncn2)c1	ZINC000115347812	401824853	/nfs/dbraw/zinc/82/48/53/401824853.db2.gz	VBOGCIPQQGNKMF-UHFFFAOYSA-N	0	0	323.312	2.106	10	5		DEBERN
Cc1c([N+](=O)[O-])cc(C(=O)N2[C@@H](C)COC[C@@H]2C)cc1[N+](=O)[O-]	ZINC000130622359	401836094	/nfs/dbraw/zinc/83/60/94/401836094.db2.gz	UIPGUPAMCVKENL-IUCAKERBSA-N	0	0	323.305	2.061	10	5		DEBERN
Cn1cc([C@H]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cn1	ZINC000116410191	401851945	/nfs/dbraw/zinc/85/19/45/401851945.db2.gz	HQVKDFPCUPQLQS-NSHDSACASA-N	0	0	315.333	2.350	10	5		DEBERN
O=[N+]([O-])c1ccc(CNc2cc(-n3cnnn3)ccc2F)cc1	ZINC000079723525	401880187	/nfs/dbraw/zinc/88/01/87/401880187.db2.gz	BFLPNCBOWDZSIY-UHFFFAOYSA-N	0	0	314.280	2.322	10	5		DEBERN
Cc1sc(C(=O)N2CCN(CC(C)C)CC2)cc1[N+](=O)[O-]	ZINC000045111995	401954346	/nfs/dbraw/zinc/95/43/46/401954346.db2.gz	ZREGFNOFFFNCKU-UHFFFAOYSA-N	0	0	311.407	2.379	10	5		DEBERN
CCOC(=O)CC[C@H](C)Nc1ccc(C(=O)NC)cc1[N+](=O)[O-]	ZINC000089657040	401955747	/nfs/dbraw/zinc/95/57/47/401955747.db2.gz	PFBPQGAXOJHUSV-JTQLQIEISA-N	0	0	323.349	2.098	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccnc1-n1cccn1	ZINC000046238824	401968298	/nfs/dbraw/zinc/96/82/98/401968298.db2.gz	JQRPKZBXEADFSR-UHFFFAOYSA-N	0	0	324.300	2.131	10	5		DEBERN
O=C(Cn1cc([N+](=O)[O-])cn1)c1cccc(Br)c1	ZINC000048032634	401992399	/nfs/dbraw/zinc/99/23/99/401992399.db2.gz	ZHOPQIWEFYBTRF-UHFFFAOYSA-N	0	0	310.107	2.437	10	5		DEBERN
O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCN(C2CC2)CC1	ZINC000149211764	401993129	/nfs/dbraw/zinc/99/31/29/401993129.db2.gz	DQCSHHFAKFHZCP-UHFFFAOYSA-N	0	0	309.753	2.168	10	5		DEBERN
C[C@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[C@H]1CCCO1	ZINC000050037529	402024280	/nfs/dbraw/zinc/02/42/80/402024280.db2.gz	BSWYOLRKUUHHQH-JVXZTZIISA-N	0	0	300.261	2.170	10	5		DEBERN
Cc1cc([N+](=O)[O-])c2ccn(S(=O)(=O)c3ccccc3)c2n1	ZINC000095937042	402034624	/nfs/dbraw/zinc/03/46/24/402034624.db2.gz	OFJUMZMXCPZKSA-UHFFFAOYSA-N	0	0	317.326	2.490	10	5		DEBERN
CNC(=O)[C@@H]1CCCN1Cc1ccc(C(C)C)c([N+](=O)[O-])c1	ZINC000092098552	402001717	/nfs/dbraw/zinc/00/17/17/402001717.db2.gz	NXVWFIZSDRGNCF-AWEZNQCLSA-N	0	0	305.378	2.429	10	5		DEBERN
CN(C)c1ncccc1CNC(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000054777684	402071383	/nfs/dbraw/zinc/07/13/83/402071383.db2.gz	INHWSSMSOGJNHO-UHFFFAOYSA-N	0	0	318.308	2.125	10	5		DEBERN
Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1	ZINC000152575553	402100965	/nfs/dbraw/zinc/10/09/65/402100965.db2.gz	VVBPYYZORWLGIR-TXEJJXNPSA-N	0	0	310.375	2.324	10	5		DEBERN
CC(C)(C)NC(=O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1	ZINC000153289575	402137278	/nfs/dbraw/zinc/13/72/78/402137278.db2.gz	YVSPTEBKDHDPDS-UHFFFAOYSA-N	0	0	305.378	2.474	10	5		DEBERN
CCCC(=O)N[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1	ZINC000101564797	402148772	/nfs/dbraw/zinc/14/87/72/402148772.db2.gz	VVFTXEVZMDWPDJ-AWEZNQCLSA-N	0	0	305.378	2.476	10	5		DEBERN
CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H]1CCOC1	ZINC000106843642	402217450	/nfs/dbraw/zinc/21/74/50/402217450.db2.gz	KFRHHXNZQSLTIJ-LBPRGKRZSA-N	0	0	305.334	2.030	10	5		DEBERN
O=[N+]([O-])c1c(N[C@H]2CCc3ncnn3C2)ccc2ncccc21	ZINC000108948295	402265013	/nfs/dbraw/zinc/26/50/13/402265013.db2.gz	RXCWVEKZIJPGMS-JTQLQIEISA-N	0	0	310.317	2.161	10	5		DEBERN
NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12	ZINC000154360464	402208786	/nfs/dbraw/zinc/20/87/86/402208786.db2.gz	BNEAICFCWPHNGH-NWANDNLSSA-N	0	0	324.340	2.229	10	5		DEBERN
O=C1CC[C@@H](CNc2ccc(Br)cc2[N+](=O)[O-])N1	ZINC000070990884	402268680	/nfs/dbraw/zinc/26/86/80/402268680.db2.gz	ABGFZMDKNSHGTF-QMMMGPOBSA-N	0	0	314.139	2.048	10	5		DEBERN
CCOC(=O)CN(C(=O)c1ccc([N+](=O)[O-])cc1C)C1CC1	ZINC000126310167	402274593	/nfs/dbraw/zinc/27/45/93/402274593.db2.gz	WCCNEVLJMQWTKR-UHFFFAOYSA-N	0	0	306.318	2.071	10	5		DEBERN
COc1ccc2c(c1)CCN2C(=O)c1cccc([N+](=O)[O-])c1N	ZINC000176265412	402295193	/nfs/dbraw/zinc/29/51/93/402295193.db2.gz	GIIRNGXYRXNVIL-UHFFFAOYSA-N	0	0	313.313	2.389	10	5		DEBERN
CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1nncs1	ZINC000185364528	402346877	/nfs/dbraw/zinc/34/68/77/402346877.db2.gz	OIEYSTXBFLNKTE-UHFFFAOYSA-N	0	0	321.362	2.301	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C2CC2)CC1	ZINC000185528982	402358919	/nfs/dbraw/zinc/35/89/19/402358919.db2.gz	KEBWTMRBFUFNTJ-OUKQBFOZSA-N	0	0	315.373	2.305	10	5		DEBERN
Cc1nccn1C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000177212791	402382208	/nfs/dbraw/zinc/38/22/08/402382208.db2.gz	QCRUVNYCRQROMZ-OAHLLOKOSA-N	0	0	314.345	2.405	10	5		DEBERN
CC[C@@H](NC(=O)N(CCO)C1CC1)c1cccc([N+](=O)[O-])c1	ZINC000176694228	402328665	/nfs/dbraw/zinc/32/86/65/402328665.db2.gz	RHZFFCGEAUUSKD-CQSZACIVSA-N	0	0	307.350	2.212	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCC[C@H](C(N)=O)C1	ZINC000162576939	402425276	/nfs/dbraw/zinc/42/52/76/402425276.db2.gz	GFECAOHPZAPAOW-QWRGUYRKSA-N	0	0	320.349	2.069	10	5		DEBERN
Cn1nccc1CCC(=O)N1CCCc2ccc([N+](=O)[O-])cc21	ZINC000186812111	402465538	/nfs/dbraw/zinc/46/55/38/402465538.db2.gz	MFEMLPDYZPLTIS-UHFFFAOYSA-N	0	0	314.345	2.240	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O	ZINC000178335050	402486401	/nfs/dbraw/zinc/48/64/01/402486401.db2.gz	UNJINNSMUVYFDU-CVEARBPZSA-N	0	0	312.325	2.291	10	5		DEBERN
COc1cc(C(=O)N2[C@@H](C)CN(C)C[C@@H]2C)cc([N+](=O)[O-])c1C	ZINC000189774263	402558061	/nfs/dbraw/zinc/55/80/61/402558061.db2.gz	OSEAVDQYONIPBS-QWRGUYRKSA-N	0	0	321.377	2.076	10	5		DEBERN
Cc1c(CC(=O)N2C[C@H]3CCC[C@@H](C2)C3O)cccc1[N+](=O)[O-]	ZINC000178720956	402530306	/nfs/dbraw/zinc/53/03/06/402530306.db2.gz	WHFBLZMXZOOFFM-VMZNBEPHSA-N	0	0	318.373	2.065	10	5		DEBERN
O=C(NCc1ccc(CO)c(F)c1)c1ccc([N+](=O)[O-])s1	ZINC000170852997	402533240	/nfs/dbraw/zinc/53/32/40/402533240.db2.gz	VFAFYRSBPLNKQM-UHFFFAOYSA-N	0	0	310.306	2.218	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]1c1nc[nH]n1	ZINC000182762701	402714927	/nfs/dbraw/zinc/71/49/27/402714927.db2.gz	ZMTPHHWUXWIMNW-CYBMUJFWSA-N	0	0	317.349	2.449	10	5		DEBERN
Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000191356937	402663732	/nfs/dbraw/zinc/66/37/32/402663732.db2.gz	PDNYRGSCPNUVKG-LBPRGKRZSA-N	0	0	306.366	2.379	10	5		DEBERN
O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCCC[C@H]1c1nc[nH]n1	ZINC000182098305	402667188	/nfs/dbraw/zinc/66/71/88/402667188.db2.gz	DPKIBTBKAPCBMP-LBPRGKRZSA-N	0	0	319.296	2.219	10	5		DEBERN
O=C(C/C=C\c1cccc(F)c1)NCCn1cc([N+](=O)[O-])cn1	ZINC000255378600	402686288	/nfs/dbraw/zinc/68/62/88/402686288.db2.gz	RINGHGRPJUSFDO-RQOWECAXSA-N	0	0	318.308	2.150	10	5		DEBERN
Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1csc([N+](=O)[O-])c1	ZINC000173492684	402700079	/nfs/dbraw/zinc/70/00/79/402700079.db2.gz	JDFBKYRDJFXHTD-QMMMGPOBSA-N	0	0	322.390	2.368	10	5		DEBERN
C[C@@H]1CCCC[C@@H]1OCCNc1ncc([N+](=O)[O-])cc1C(N)=O	ZINC000193989097	402780757	/nfs/dbraw/zinc/78/07/57/402780757.db2.gz	SJBLYBKYTMOTHH-MFKMUULPSA-N	0	0	322.365	2.096	10	5		DEBERN
C[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCCO1	ZINC000183120359	402740575	/nfs/dbraw/zinc/74/05/75/402740575.db2.gz	LKQMMIWHROCUNH-GWCFXTLKSA-N	0	0	318.333	2.302	10	5		DEBERN
COCCc1noc(CN(C)Cc2ccc([N+](=O)[O-])cc2C)n1	ZINC000183361569	402759591	/nfs/dbraw/zinc/75/95/91/402759591.db2.gz	OXQTXPLGRZAHLU-UHFFFAOYSA-N	0	0	320.349	2.107	10	5		DEBERN
O=C(Nc1ccncc1[N+](=O)[O-])N1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000183624503	402782565	/nfs/dbraw/zinc/78/25/65/402782565.db2.gz	OEBZBPHEDZNSRD-ABAIWWIYSA-N	0	0	320.349	2.149	10	5		DEBERN
O=[N+]([O-])c1ccc(F)cc1CN1CCC(n2cncn2)CC1	ZINC000195130872	402833088	/nfs/dbraw/zinc/83/30/88/402833088.db2.gz	XOMDRGNOLOZNEC-UHFFFAOYSA-N	0	0	305.313	2.163	10	5		DEBERN
CCc1nn(C)c(NCc2cn3c(n2)CCCC3)c1[N+](=O)[O-]	ZINC000271270587	402851243	/nfs/dbraw/zinc/85/12/43/402851243.db2.gz	MHVMPRDBBDBVDS-UHFFFAOYSA-N	0	0	304.354	2.036	10	5		DEBERN
CCc1nnc([C@H]2CN(c3ccc([N+](=O)[O-])c(C)c3)CCO2)[nH]1	ZINC000271411306	402868309	/nfs/dbraw/zinc/86/83/09/402868309.db2.gz	TUMJTEQCXKRTBK-CYBMUJFWSA-N	0	0	317.349	2.162	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)OC(C)(C)C	ZINC000273416555	403003007	/nfs/dbraw/zinc/00/30/07/403003007.db2.gz	RCWLKQPDAWSWFC-PKNBQFBNSA-N	0	0	320.345	2.456	10	5		DEBERN
C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)C[C@@H](C)O1	ZINC000267288546	403033294	/nfs/dbraw/zinc/03/32/94/403033294.db2.gz	XDHGQMYANAPRCC-HTQZYQBOSA-N	0	0	316.155	2.366	10	5		DEBERN
COCc1nc2n(n1)CCC[C@@H]2Nc1ccc([N+](=O)[O-])cc1F	ZINC000268413835	403080995	/nfs/dbraw/zinc/08/09/95/403080995.db2.gz	UPEWSEMVXOVFTD-LBPRGKRZSA-N	0	0	321.312	2.419	10	5		DEBERN
CC(=O)c1cc(N[C@@H](CO)C[C@H](O)C(C)(C)C)ccc1[N+](=O)[O-]	ZINC000286395062	403516589	/nfs/dbraw/zinc/51/65/89/403516589.db2.gz	JLQCIBXOKMVIQJ-DOMZBBRYSA-N	0	0	324.377	2.367	10	5		DEBERN
C[C@@H](Nc1ccc([N+](=O)[O-])cn1)C(=O)N1CCc2ccccc21	ZINC000301189299	403599827	/nfs/dbraw/zinc/59/98/27/403599827.db2.gz	QYHJOCXOGVDTRF-LLVKDONJSA-N	0	0	312.329	2.380	10	5		DEBERN
Cn1c(CNc2ncc([N+](=O)[O-])c(N)n2)cc(Cl)c1Cl	ZINC000301663654	403660808	/nfs/dbraw/zinc/66/08/08/403660808.db2.gz	VQOZKXPSGVIUBC-UHFFFAOYSA-N	0	0	317.136	2.224	10	5		DEBERN
COC(=O)c1cc(NCc2cnn(C)c2C)ccc1[N+](=O)[O-]	ZINC000301849450	403690899	/nfs/dbraw/zinc/69/08/99/403690899.db2.gz	VZFXMBYUPVUANV-UHFFFAOYSA-N	0	0	304.306	2.035	10	5		DEBERN
CC(C)CCO[C@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1	ZINC000301910459	403700042	/nfs/dbraw/zinc/70/00/42/403700042.db2.gz	BHKFDWUNSBBQNP-LBPRGKRZSA-N	0	0	319.365	2.279	10	5		DEBERN
CC1(C)CN(c2ncc([N+](=O)[O-])c(N)n2)CC[C@@H]1C(F)(F)F	ZINC000302734138	403717949	/nfs/dbraw/zinc/71/79/49/403717949.db2.gz	VPZMHTJYLVTSRI-QMMMGPOBSA-N	0	0	319.287	2.382	10	5		DEBERN
CN(C)c1noc(C2CCN(c3ccccc3[N+](=O)[O-])CC2)n1	ZINC000302768309	403723382	/nfs/dbraw/zinc/72/33/82/403723382.db2.gz	ARMWRVSFCVOUEZ-UHFFFAOYSA-N	0	0	317.349	2.428	10	5		DEBERN
C/C=C/C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCC	ZINC000361539218	405121784	/nfs/dbraw/zinc/12/17/84/405121784.db2.gz	UVSOUYLTZOJWIG-MASHWEEQSA-N	0	0	306.318	2.223	10	5		DEBERN
C/C=C/C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC	ZINC000361540496	405121993	/nfs/dbraw/zinc/12/19/93/405121993.db2.gz	ZHJMGNGKNFFAIJ-KQIUPUNMSA-N	0	0	320.345	2.151	10	5		DEBERN
CC(C)(C(=O)N[C@H]1CCCC(F)(F)C1)n1cc([N+](=O)[O-])cn1	ZINC000493898379	405607921	/nfs/dbraw/zinc/60/79/21/405607921.db2.gz	WDIZPZNWGORTPD-VIFPVBQESA-N	0	0	316.308	2.221	10	5		DEBERN
NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1Br	ZINC000575683259	406818166	/nfs/dbraw/zinc/81/81/66/406818166.db2.gz	OEZZOGHORNKDMN-UHFFFAOYSA-N	0	0	311.038	2.058	10	5		DEBERN
NC(=O)c1cc(Br)c([N+](=O)[O-])cc1OC(F)F	ZINC000575682835	406817843	/nfs/dbraw/zinc/81/78/43/406817843.db2.gz	FCTVZWZWBHLCKC-UHFFFAOYSA-N	0	0	311.038	2.058	10	5		DEBERN
NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Br	ZINC000575694379	406818854	/nfs/dbraw/zinc/81/88/54/406818854.db2.gz	JRSTUSWESHGVNY-UHFFFAOYSA-N	0	0	323.928	2.219	10	5		DEBERN
Cc1ccc(CN(C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])o1	ZINC000129468661	196051116	/nfs/dbraw/zinc/05/11/16/196051116.db2.gz	KAAWZUMGARIOAA-UHFFFAOYSA-N	0	0	324.358	2.458	10	5		DEBERN
C[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000129854832	196080428	/nfs/dbraw/zinc/08/04/28/196080428.db2.gz	XMGLTIOPBAZFRU-SECBINFHSA-N	0	0	302.327	2.297	10	5		DEBERN
CCc1ccc(OS(=O)(=O)[C@H]2CCO[C@@H]2C)c([N+](=O)[O-])c1	ZINC000135681017	196498386	/nfs/dbraw/zinc/49/83/86/196498386.db2.gz	QKLXOMKWFRVWAK-RNCFNFMXSA-N	0	0	315.347	2.043	10	5		DEBERN
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(CCO)CC1	ZINC000188026031	225006491	/nfs/dbraw/zinc/00/64/91/225006491.db2.gz	QAOYHFZTBJNJFC-NSHDSACASA-N	0	0	324.402	2.354	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)Cc2cccs2)n1	ZINC000191635848	225114792	/nfs/dbraw/zinc/11/47/92/225114792.db2.gz	ZQKMKGQCTFOLSD-SNVBAGLBSA-N	0	0	322.390	2.481	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCCO[C@@H]2CCCC[C@H]2C)n1	ZINC000191773375	225117271	/nfs/dbraw/zinc/11/72/71/225117271.db2.gz	HKZCSSMGLMODCV-DGCLKSJQSA-N	0	0	324.381	2.136	10	5		DEBERN
Cc1cnn([C@@H]2CCCN(c3cc(CO)ccc3[N+](=O)[O-])C2)c1	ZINC000302067874	230077598	/nfs/dbraw/zinc/07/75/98/230077598.db2.gz	UTVJTUJBMMNFTR-CQSZACIVSA-N	0	0	316.361	2.434	10	5		DEBERN
O=[N+]([O-])c1ccc(NCC[C@H]2COc3ccccc3O2)nc1	ZINC000360783907	424839935	/nfs/dbraw/zinc/83/99/35/424839935.db2.gz	WZTYSEWNWKNEDW-LBPRGKRZSA-N	0	0	301.302	2.632	10	5		DEBERN
C[C@@H]1CC[C@@H](C)N(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1	ZINC000175192268	424863374	/nfs/dbraw/zinc/86/33/74/424863374.db2.gz	ZTVPTCXMWRDHLH-VXGBXAGGSA-N	0	0	320.345	2.433	10	5		DEBERN
CC(=O)c1ccc(N2CCc3nc(N)sc3C2)c([N+](=O)[O-])c1	ZINC000301103072	277112072	/nfs/dbraw/zinc/11/20/72/277112072.db2.gz	UVNGHUSWESYQBH-UHFFFAOYSA-N	0	0	318.358	2.399	10	5		DEBERN
COc1cc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-]	ZINC000154369964	277368637	/nfs/dbraw/zinc/36/86/37/277368637.db2.gz	DDIIVRRUTHLLJP-JSGCOSHPSA-N	0	0	320.345	2.387	10	5		DEBERN
Cc1ccc2c(n1)OCCN2C(=O)c1cc([N+](=O)[O-])cnc1C	ZINC000180461250	278894555	/nfs/dbraw/zinc/89/45/55/278894555.db2.gz	YNXXXLQRELTSSP-UHFFFAOYSA-N	0	0	314.301	2.041	10	5		DEBERN
O=C(CNc1ccccc1[N+](=O)[O-])NCCc1ccsc1	ZINC000065866247	281512361	/nfs/dbraw/zinc/51/23/61/281512361.db2.gz	LJTDUEUFQROIRR-UHFFFAOYSA-N	0	0	305.359	2.427	10	5		DEBERN
C[C@@H]1COC[C@H](C)N1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000077138338	288376636	/nfs/dbraw/zinc/37/66/36/288376636.db2.gz	JRFMRGDYWHQSAK-AOOOYVTPSA-N	0	0	303.318	2.326	10	5		DEBERN
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCCCO1	ZINC000408286095	302042559	/nfs/dbraw/zinc/04/25/59/302042559.db2.gz	JUTOXZBSHDZELW-UHFFFAOYSA-N	0	0	300.336	2.009	10	5		DEBERN
Cc1ncccc1CC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1	ZINC000582861570	337208956	/nfs/dbraw/zinc/20/89/56/337208956.db2.gz	MIDFZUJBXPXXJK-UHFFFAOYSA-N	0	0	311.341	2.426	10	5		DEBERN
CC(C)OC[C@H](O)Cn1cnc2cc3ccccc3cc2c1=O	ZINC000192893397	341896528	/nfs/dbraw/zinc/89/65/28/341896528.db2.gz	OLCUWZUCUQJVQQ-OAHLLOKOSA-N	0	0	312.369	2.336	10	5		DEBERN
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)[C@H]1C	ZINC000297092080	533819783	/nfs/dbraw/zinc/81/97/83/533819783.db2.gz	NYDLSXNOSAZBAM-DTWKUNHWSA-N	0	0	302.327	2.071	10	5		DEBERN
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000249300230	519825707	/nfs/dbraw/zinc/82/57/07/519825707.db2.gz	GPIBPUANBNMESE-BNOWGMLFSA-N	0	0	308.382	2.368	10	5		DEBERN
CN(C[C@H]1CCCO1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000126608951	523122273	/nfs/dbraw/zinc/12/22/73/523122273.db2.gz	TVBGHFUNDJYTRX-CYBMUJFWSA-N	0	0	317.345	2.256	10	5		DEBERN
Cc1cc(COC(=O)CCc2ccnn2C)ccc1[N+](=O)[O-]	ZINC000127612715	524797736	/nfs/dbraw/zinc/79/77/36/524797736.db2.gz	KFKRDUKOMFIPEQ-UHFFFAOYSA-N	0	0	303.318	2.313	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1=O	ZINC000246215339	525571949	/nfs/dbraw/zinc/57/19/49/525571949.db2.gz	CNGVWTYEAAXPDF-MPKXVKKWSA-N	0	0	321.377	2.006	10	5		DEBERN
CC(C)(C)Oc1cc(NCCn2ccnn2)ccc1[N+](=O)[O-]	ZINC000302190940	526574809	/nfs/dbraw/zinc/57/48/09/526574809.db2.gz	QVHKKPAWAYNZKE-UHFFFAOYSA-N	0	0	305.338	2.476	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(COC)c2)n1	ZINC000191522938	529154523	/nfs/dbraw/zinc/15/45/23/529154523.db2.gz	BCYXHOJLDUJUPU-UHFFFAOYSA-N	0	0	304.306	2.210	10	5		DEBERN
CCOc1ccc(C(=O)NCC(=O)OC(C)(C)C)cc1[N+](=O)[O-]	ZINC000360173659	535705414	/nfs/dbraw/zinc/70/54/14/535705414.db2.gz	BTNHAVPRXCZZBT-UHFFFAOYSA-N	0	0	324.333	2.065	10	5		DEBERN
COC[C@](C)(NC(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F	ZINC000362200649	536636974	/nfs/dbraw/zinc/63/69/74/536636974.db2.gz	DUDGMIMTZBELRQ-NSHDSACASA-N	0	0	306.240	2.292	10	5		DEBERN
C[C@@H](CO)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1Br	ZINC000235133148	625084815	/nfs/dbraw/zinc/08/48/15/625084815.db2.gz	YWFABVZHXZBYTL-DTWKUNHWSA-N	0	0	317.183	2.464	10	5		DEBERN
COC(=O)[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C	ZINC000095019833	633834742	/nfs/dbraw/zinc/83/47/42/633834742.db2.gz	JYOQSEZAQODEAJ-CABZTGNLSA-N	0	0	312.753	2.489	10	5		DEBERN
CN1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1Br	ZINC000226357314	636564689	/nfs/dbraw/zinc/56/46/89/636564689.db2.gz	KUVSUNUIFHCFOP-QMMMGPOBSA-N	0	0	315.171	2.258	10	5		DEBERN
CCN(CC)C(=O)CCC(=O)Oc1ccc(C)cc1[N+](=O)[O-]	ZINC000087063954	637405341	/nfs/dbraw/zinc/40/53/41/637405341.db2.gz	OFDBKNUVCQJSJY-UHFFFAOYSA-N	0	0	308.334	2.457	10	5		DEBERN
O=C(/C=C/c1ccnc(Cl)c1)OCCn1cc([N+](=O)[O-])cn1	ZINC000179028147	637752239	/nfs/dbraw/zinc/75/22/39/637752239.db2.gz	DGALHFGQIBWVGB-OWOJBTEDSA-N	0	0	322.708	2.096	10	5		DEBERN
C/C(=C/C(=O)NC[C@@H]1CCC[C@H]1O)c1ccc([N+](=O)[O-])cc1	ZINC000752481925	639188738	/nfs/dbraw/zinc/18/87/38/639188738.db2.gz	TVXIBYBLDARRHG-FUXFULCISA-N	0	0	304.346	2.275	10	5		DEBERN
C/C(=C\C(=O)NC[C@@](C)(O)C1CC1)c1ccc([N+](=O)[O-])cc1	ZINC000752494099	639190933	/nfs/dbraw/zinc/19/09/33/639190933.db2.gz	GBCNOBOEJYXXMM-PXUDHTSWSA-N	0	0	304.346	2.275	10	5		DEBERN
C/C(=C/C(=O)NC[C@H]1COC(C)(C)O1)c1ccc([N+](=O)[O-])cc1	ZINC000752559103	639198123	/nfs/dbraw/zinc/19/81/23/639198123.db2.gz	FSIQHNSXEBHRBO-MSKHEQNASA-N	0	0	320.345	2.266	10	5		DEBERN
CCOc1ccccc1[C@@H](C)OC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000050207065	639932323	/nfs/dbraw/zinc/93/23/23/639932323.db2.gz	YBJGGFTWKJJHDU-LLVKDONJSA-N	0	0	319.317	2.494	10	5		DEBERN
O=C(NC[C@@H]1CCC[C@@H]1O)c1cc(Cl)c(F)c([N+](=O)[O-])c1	ZINC000900867545	642507425	/nfs/dbraw/zinc/50/74/25/642507425.db2.gz	OOJIIFFMYYJZHK-CPCISQLKSA-N	0	0	316.716	2.278	10	5		DEBERN
Cc1n[nH]c(C(=O)N[C@H]2Cc3ccc(Cl)cc3C2)c1[N+](=O)[O-]	ZINC000800581168	645289579	/nfs/dbraw/zinc/28/95/79/645289579.db2.gz	GTWFITSFNFPZFP-NSHDSACASA-N	0	0	320.736	2.177	10	5		DEBERN
CCN1CC[C@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)C1=O	ZINC000801683315	645429301	/nfs/dbraw/zinc/42/93/01/645429301.db2.gz	LEHJDKOREVLNSQ-JTQLQIEISA-N	0	0	306.347	2.237	10	5		DEBERN
C[C@H](OC[C@H]1CCCO1)C(=O)OCCc1ccccc1[N+](=O)[O-]	ZINC000151258082	646322100	/nfs/dbraw/zinc/32/21/00/646322100.db2.gz	LOJFDARKUVPITC-GXTWGEPZSA-N	0	0	323.345	2.265	10	5		DEBERN
COc1cc(OCC(=O)O[C@@H](C)C(F)(F)F)ccc1[N+](=O)[O-]	ZINC000174949367	648327907	/nfs/dbraw/zinc/32/79/07/648327907.db2.gz	WOBCBIONVFUJKG-ZETCQYMHSA-N	0	0	323.223	2.476	10	5		DEBERN
CN(CCOC(=O)C1CCOCC1)c1ccc([N+](=O)[O-])cc1	ZINC000064712179	648353929	/nfs/dbraw/zinc/35/39/29/648353929.db2.gz	PZKFAEYDLKASHA-UHFFFAOYSA-N	0	0	308.334	2.001	10	5		DEBERN
CN(Cc1nc2c(s1)CCCC2)Cn1cc([N+](=O)[O-])cn1	ZINC000083115242	683997362	/nfs/dbraw/zinc/99/73/62/683997362.db2.gz	XZNYEPZLBRMBSV-UHFFFAOYSA-N	0	0	307.379	2.216	10	5		DEBERN
C[C@@H]1OCC[C@@H]1S(=O)(=O)Oc1ccc([N+](=O)[O-])c(Cl)c1	ZINC000135548179	684236168	/nfs/dbraw/zinc/23/61/68/684236168.db2.gz	FEJXLFGOIAYDNU-CPCISQLKSA-N	0	0	321.738	2.134	10	5		DEBERN
COC(=O)/C=C/c1ccc(NC2CCOCC2)c([N+](=O)[O-])c1	ZINC000194100717	685057051	/nfs/dbraw/zinc/05/70/51/685057051.db2.gz	SVPYODHJCWOMQR-HWKANZROSA-N	0	0	306.318	2.372	10	5		DEBERN
COc1cccc(C(=O)N[C@@H]2COc3ccccc32)c1[N+](=O)[O-]	ZINC000194179332	685059130	/nfs/dbraw/zinc/05/91/30/685059130.db2.gz	ZDHIHHPHEWFZCW-GFCCVEGCSA-N	0	0	314.297	2.467	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ncon1	ZINC000588447382	777204047	/nfs/dbraw/zinc/20/40/47/777204047.db2.gz	ZKNNEJHXRDGZLD-UJICNMFASA-N	0	0	302.290	2.259	10	5		DEBERN
Cc1cc([N+](=O)[O-])nn1C[C@](C)(O)C(F)(F)C(F)(F)F	ZINC000724038458	777226839	/nfs/dbraw/zinc/22/68/39/777226839.db2.gz	ZBPCPKJAIBACKP-ZETCQYMHSA-N	0	0	303.187	2.048	10	5		DEBERN
O=[N+]([O-])c1ccc(NCC[C@H]2CCCS2(=O)=O)c(F)c1	ZINC000714331834	792308775	/nfs/dbraw/zinc/30/87/75/792308775.db2.gz	UUTIEUWXAPSHNB-SNVBAGLBSA-N	0	0	302.327	2.113	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCCC2(C1)OCCO2	ZINC000715643442	792502926	/nfs/dbraw/zinc/50/29/26/792502926.db2.gz	SHTFGWJWBIOTIO-LBPRGKRZSA-N	0	0	320.345	2.319	10	5		DEBERN
O=C(N[C@@H]1CC12CC2)c1cc([N+](=O)[O-])ncc1Br	ZINC000715682653	792506419	/nfs/dbraw/zinc/50/64/19/792506419.db2.gz	OPCQFJGTYVUJRC-MRVPVSSYSA-N	0	0	312.123	2.035	10	5		DEBERN
CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1CCc2ccccc2C1	ZINC000248017484	798591874	/nfs/dbraw/zinc/59/18/74/798591874.db2.gz	TVSCIXAPXLHIIE-ARFHVFGLSA-N	0	0	302.374	2.448	10	5		DEBERN
COC(=O)[C@@H](NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1)C(C)C	ZINC000588435444	1082396359	/nfs/dbraw/zinc/39/63/59/1082396359.db2.gz	NNBZFGDJOZZEJI-FPAJZGIOSA-N	0	0	320.345	2.312	10	5		DEBERN
COC(=O)CC[C@@H](O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000162791382	197591964	/nfs/dbraw/zinc/59/19/64/197591964.db2.gz	PENHEIKMZZUBEG-SNVBAGLBSA-N	0	0	318.123	2.344	10	5		DEBERN
CCOC(=O)C(C)(C)NC(=O)c1ccc(CC)c([N+](=O)[O-])c1	ZINC000081941597	192344354	/nfs/dbraw/zinc/34/43/54/192344354.db2.gz	SLPMNRKUPUPARL-UHFFFAOYSA-N	0	0	308.334	2.229	10	5		DEBERN
CCOc1cccc(N2CCN(C(=O)C(C)C)CC2)c1[N+](=O)[O-]	ZINC000613041555	361988314	/nfs/dbraw/zinc/98/83/14/361988314.db2.gz	RFVKBJPHHPKFTK-UHFFFAOYSA-N	0	0	321.377	2.298	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)Oc2ncccc21	ZINC000158131730	282167613	/nfs/dbraw/zinc/16/76/13/282167613.db2.gz	JDDMVWPYGMVBGR-VIFPVBQESA-N	0	0	314.301	2.121	10	5		DEBERN
CCS(=O)(=O)CCCOc1ccc([N+](=O)[O-])c(Cl)c1	ZINC000088055571	185238012	/nfs/dbraw/zinc/23/80/12/185238012.db2.gz	QVLQLYKTXMBNJP-UHFFFAOYSA-N	0	0	307.755	2.452	10	5		DEBERN
O=C(CN1CCC[C@@H](C(F)(F)F)C1)c1cc([N+](=O)[O-])c[nH]1	ZINC000088432072	185249861	/nfs/dbraw/zinc/24/98/61/185249861.db2.gz	OFLSBUQUGLFMBW-MRVPVSSYSA-N	0	0	305.256	2.380	10	5		DEBERN
COC(=O)[C@@H](C)CSc1c([N+](=O)[O-])c(C(C)C)nn1C	ZINC000090103965	185282516	/nfs/dbraw/zinc/28/25/16/185282516.db2.gz	XIDIALXWOKZROO-QMMMGPOBSA-N	0	0	301.368	2.353	10	5		DEBERN
CC[C@H](NS(=O)(=O)CCCOC)c1cccc([N+](=O)[O-])c1	ZINC000090221978	185287092	/nfs/dbraw/zinc/28/70/92/185287092.db2.gz	NGVFGJIVQZVYHT-ZDUSSCGKSA-N	0	0	316.379	2.002	10	5		DEBERN
COC(=O)c1ccc([N+](=O)[O-])c(-n2nc(C)c(Cl)c2C)n1	ZINC000166589408	197695286	/nfs/dbraw/zinc/69/52/86/197695286.db2.gz	ZGBUSFPPAOFIRT-UHFFFAOYSA-N	0	0	310.697	2.232	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CCC(Cn3cncn3)CC2)n1	ZINC000614524786	362401495	/nfs/dbraw/zinc/40/14/95/362401495.db2.gz	GPAJLXUWLADPKU-UHFFFAOYSA-N	0	0	316.365	2.115	10	5		DEBERN
CC(=O)c1cc(N2CCN(C(=O)C(C)C)CC2)ccc1[N+](=O)[O-]	ZINC000286890688	219213315	/nfs/dbraw/zinc/21/33/15/219213315.db2.gz	JBQWLYAHQHSELL-UHFFFAOYSA-N	0	0	319.361	2.102	10	5		DEBERN
C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CC2(CCOCC2)O1	ZINC000279721824	215091445	/nfs/dbraw/zinc/09/14/45/215091445.db2.gz	IXYZWFFPCPFUJB-NSHDSACASA-N	0	0	312.391	2.426	10	5		DEBERN
CC1(NS(=O)(=O)c2cccc(N)c2[N+](=O)[O-])CCCCC1	ZINC000126958811	185907648	/nfs/dbraw/zinc/90/76/48/185907648.db2.gz	SBMLOMCLNVNZHV-UHFFFAOYSA-N	0	0	313.379	2.178	10	5		DEBERN
CC(=O)[C@H](C)N1c2cc([N+](=O)[O-])ccc2O[C@H](C(C)C)C1=O	ZINC000071504484	190986744	/nfs/dbraw/zinc/98/67/44/190986744.db2.gz	DHIVQDCHAXKKIY-LKFCYVNXSA-N	0	0	306.318	2.322	10	5		DEBERN
COC(=O)[C@](C)(N)C[C@@H](C)Oc1cc([N+](=O)[O-])ccc1Cl	ZINC000084397890	192428378	/nfs/dbraw/zinc/42/83/78/192428378.db2.gz	NEHUNUXLAPOADK-AMIZOPFISA-N	0	0	316.741	2.296	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cncnc1-n1cccn1	ZINC000133683460	186006720	/nfs/dbraw/zinc/00/67/20/186006720.db2.gz	IPUKEGRELKHDEK-UHFFFAOYSA-N	0	0	324.300	2.131	10	5		DEBERN
CC(C)CCCCNS(=O)(=O)c1ccc(N)cc1[N+](=O)[O-]	ZINC000147865468	186042046	/nfs/dbraw/zinc/04/20/46/186042046.db2.gz	KCOIDHBXCCMYDU-UHFFFAOYSA-N	0	0	315.395	2.282	10	5		DEBERN
C[C@@H](O)C(C)(C)Nc1ncc(Br)cc1[N+](=O)[O-]	ZINC000145127141	186036261	/nfs/dbraw/zinc/03/62/61/186036261.db2.gz	HENDPXOMFXVCMQ-ZCFIWIBFSA-N	0	0	304.144	2.324	10	5		DEBERN
Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)cc1[N+](=O)[O-]	ZINC000152535744	186082746	/nfs/dbraw/zinc/08/27/46/186082746.db2.gz	UQQHRQQRPFMHBM-RYUDHWBXSA-N	0	0	310.375	2.324	10	5		DEBERN
Cc1nc(C[C@H]2CCCN(c3ncc([N+](=O)[O-])s3)C2)no1	ZINC000189979294	186258579	/nfs/dbraw/zinc/25/85/79/186258579.db2.gz	NVGGWVQCJCCQAC-SECBINFHSA-N	0	0	309.351	2.202	10	5		DEBERN
COc1ccccc1[C@@H](O)CNc1nccc(C)c1[N+](=O)[O-]	ZINC000172277601	198069915	/nfs/dbraw/zinc/06/99/15/198069915.db2.gz	UXKGFTHZLGVSTH-LBPRGKRZSA-N	0	0	303.318	2.452	10	5		DEBERN
Cc1cc(N2CCC[C@H](C(=O)N3CCCC3)C2)ncc1[N+](=O)[O-]	ZINC000074750617	355046489	/nfs/dbraw/zinc/04/64/89/355046489.db2.gz	IZWSMMWLENGVOV-ZDUSSCGKSA-N	0	0	318.377	2.137	10	5		DEBERN
Cc1cc(N2CCN(c3ccc(N)nc3)CC2)ccc1[N+](=O)[O-]	ZINC000092624641	355642253	/nfs/dbraw/zinc/64/22/53/355642253.db2.gz	ZOJGGNDSUPHZQW-UHFFFAOYSA-N	0	0	313.361	2.207	10	5		DEBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc2c1OCCC2	ZINC000370489032	283124618	/nfs/dbraw/zinc/12/46/18/283124618.db2.gz	YGLKHKFVXXRSDV-UHFFFAOYSA-N	0	0	316.317	2.063	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1CNC(=O)Cc1ccccc1	ZINC000193581856	356227135	/nfs/dbraw/zinc/22/71/35/356227135.db2.gz	CXELNKKUUUMMIC-UHFFFAOYSA-N	0	0	300.314	2.462	10	5		DEBERN
Cc1ccnc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1	ZINC000194682567	356243349	/nfs/dbraw/zinc/24/33/49/356243349.db2.gz	IMWSKWOMYNLJFT-UHFFFAOYSA-N	0	0	311.301	2.356	10	5		DEBERN
O=[N+]([O-])c1ccc(-c2nc(I)no2)s1	ZINC000236158212	356289013	/nfs/dbraw/zinc/28/90/13/356289013.db2.gz	QOLHYGFFEJDKBH-UHFFFAOYSA-N	0	0	323.071	2.311	10	5		DEBERN
O=[N+]([O-])c1cncc(Cl)c1N1CC[C@](O)(C(F)(F)F)C1	ZINC000312226153	356412767	/nfs/dbraw/zinc/41/27/67/356412767.db2.gz	GDMFJNGLMHWAQQ-SECBINFHSA-N	0	0	311.647	2.147	10	5		DEBERN
CCN(C[C@@H]1CCCO1)C(=O)c1ccnc(Cl)c1[N+](=O)[O-]	ZINC000085684886	192521102	/nfs/dbraw/zinc/52/11/02/192521102.db2.gz	VOPPFAUTIVNRPM-VIFPVBQESA-N	0	0	313.741	2.284	10	5		DEBERN
O=C(N[C@H]1CCCOC1)c1ccc([N+](=O)[O-])c2cccnc12	ZINC000179754224	199076660	/nfs/dbraw/zinc/07/66/60/199076660.db2.gz	RMJHNZQSZXVEDI-JTQLQIEISA-N	0	0	301.302	2.052	10	5		DEBERN
C[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCC1=O	ZINC000186542238	199971593	/nfs/dbraw/zinc/97/15/93/199971593.db2.gz	ZRAULAWSIZCVNV-GFCCVEGCSA-N	0	0	319.361	2.224	10	5		DEBERN
CCOC(=O)CC[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C	ZINC000089806295	192875636	/nfs/dbraw/zinc/87/56/36/192875636.db2.gz	XRLYZSKJWKHEES-SNVBAGLBSA-N	0	0	308.334	2.365	10	5		DEBERN
Cc1noc(CCNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)n1	ZINC000187505058	200121786	/nfs/dbraw/zinc/12/17/86/200121786.db2.gz	AEAAXQOSHZPKRU-UHFFFAOYSA-N	0	0	318.333	2.382	10	5		DEBERN
CCOCCOCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000188427880	200244700	/nfs/dbraw/zinc/24/47/00/200244700.db2.gz	VMTHUCGBYMFLDI-UHFFFAOYSA-N	0	0	310.350	2.028	10	5		DEBERN
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[C@H](O)CC1CCCC1	ZINC000188643462	200279856	/nfs/dbraw/zinc/27/98/56/200279856.db2.gz	IRPPMWRTPQYLSE-GFCCVEGCSA-N	0	0	318.329	2.132	10	5		DEBERN
CC1(C)CO[C@H](Cn2cc(Br)c([N+](=O)[O-])n2)C1	ZINC000601076268	359914112	/nfs/dbraw/zinc/91/41/12/359914112.db2.gz	LFRFMDOLDYHMDR-ZETCQYMHSA-N	0	0	304.144	2.369	10	5		DEBERN
Cc1cc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c(C)[nH]1	ZINC000609455205	361312879	/nfs/dbraw/zinc/31/28/79/361312879.db2.gz	AALZWPAKPWNFHY-UHFFFAOYSA-N	0	0	303.318	2.349	10	5		DEBERN
NC(=O)c1ccc(N2CCC[C@@]3(CCCOC3)C2)c([N+](=O)[O-])c1	ZINC000610469610	361404230	/nfs/dbraw/zinc/40/42/30/361404230.db2.gz	IVSVPYXGTVKZPF-MRXNPFEDSA-N	0	0	319.361	2.091	10	5		DEBERN
COC(=O)CC1(NC(=O)c2cccc([N+](=O)[O-])c2)CCCC1	ZINC000193908003	201143494	/nfs/dbraw/zinc/14/34/94/201143494.db2.gz	HSELRMLATCWINK-UHFFFAOYSA-N	0	0	306.318	2.201	10	5		DEBERN
CCOc1cccc(CCNC(=O)c2csc([N+](=O)[O-])c2)n1	ZINC000610760427	361462264	/nfs/dbraw/zinc/46/22/64/361462264.db2.gz	JIOMGGZZNPGZOX-UHFFFAOYSA-N	0	0	321.358	2.423	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)n1	ZINC000611616908	361645211	/nfs/dbraw/zinc/64/52/11/361645211.db2.gz	UUYCADYZVNVQGJ-GGZOMVNGSA-N	0	0	304.350	2.028	10	5		DEBERN
CCC1(NC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CCC1	ZINC000194663429	201270120	/nfs/dbraw/zinc/27/01/20/201270120.db2.gz	YVZYJEMZDVXGLT-UHFFFAOYSA-N	0	0	305.334	2.291	10	5		DEBERN
CCN1CC[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C1=O	ZINC000619794552	363877601	/nfs/dbraw/zinc/87/76/01/363877601.db2.gz	HRSXQVDNGGQIHR-LBPRGKRZSA-N	0	0	300.318	2.176	10	5		DEBERN
CCS(=O)(=O)CCn1nc(C(C)(C)C)c([N+](=O)[O-])c1Cl	ZINC000091561212	193073835	/nfs/dbraw/zinc/07/38/35/193073835.db2.gz	SWSUYKLTGVQJCV-UHFFFAOYSA-N	0	0	323.802	2.177	10	5		DEBERN
CCCc1nn(C)c(NCCOCC(F)(F)F)c1[N+](=O)[O-]	ZINC000091577600	193074507	/nfs/dbraw/zinc/07/45/07/193074507.db2.gz	UQQRQECWRBGPQG-UHFFFAOYSA-N	0	0	310.276	2.272	10	5		DEBERN
CN1CCO[C@H](CNc2ccc([N+](=O)[O-])cc2C(F)F)C1	ZINC000091673593	193088775	/nfs/dbraw/zinc/08/87/75/193088775.db2.gz	MRHNUZZJXYHRHS-SNVBAGLBSA-N	0	0	301.293	2.275	10	5		DEBERN
Cn1cc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)c(C2CCCCC2)n1	ZINC000452271297	244088222	/nfs/dbraw/zinc/08/82/22/244088222.db2.gz	OFRVVKSLQVBNJE-UHFFFAOYSA-N	0	0	318.337	2.351	10	5		DEBERN
CN[C@@]1(C(=O)OC)CC[C@H](Sc2ccc([N+](=O)[O-])cc2)C1	ZINC000093848694	193317605	/nfs/dbraw/zinc/31/76/05/193317605.db2.gz	BSBINFLGJYIWSV-JSGCOSHPSA-N	0	0	310.375	2.371	10	5		DEBERN
CC[C@H](Oc1c(C)cc(Br)cc1[N+](=O)[O-])C(N)=O	ZINC000094296701	193357121	/nfs/dbraw/zinc/35/71/21/193357121.db2.gz	INEGJTMXVLJYAT-VIFPVBQESA-N	0	0	317.139	2.308	10	5		DEBERN
CC1(C)CCC[C@@H]1NS(=O)(=O)c1ccc(N)cc1[N+](=O)[O-]	ZINC000094332269	193359268	/nfs/dbraw/zinc/35/92/68/193359268.db2.gz	GFUQZZIRMRTLTH-LBPRGKRZSA-N	0	0	313.379	2.034	10	5		DEBERN
CC1(C)CCC[C@@H]1NS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1	ZINC000094330511	193359733	/nfs/dbraw/zinc/35/97/33/193359733.db2.gz	ARQQSTZELLRISV-LBPRGKRZSA-N	0	0	313.379	2.034	10	5		DEBERN
Nc1cc(CSc2ncnc3[nH]cnc32)ccc1[N+](=O)[O-]	ZINC000094778217	193396425	/nfs/dbraw/zinc/39/64/25/193396425.db2.gz	KQAHHOOBYSJNOE-UHFFFAOYSA-N	0	0	302.319	2.136	10	5		DEBERN
CCCCNS(=O)(=O)c1cc([N+](=O)[O-])c(NCC)cc1C	ZINC000094780373	193397701	/nfs/dbraw/zinc/39/77/01/193397701.db2.gz	KMQYLCXCEKSGLJ-UHFFFAOYSA-N	0	0	315.395	2.413	10	5		DEBERN
C[C@@H](O)CN(C)c1cc(F)c(Br)cc1[N+](=O)[O-]	ZINC000097368575	193711958	/nfs/dbraw/zinc/71/19/58/193711958.db2.gz	DKSPEGQOTNOITL-ZCFIWIBFSA-N	0	0	307.119	2.313	10	5		DEBERN
O=[N+]([O-])c1ccnc(NC[C@H]2CCN(CC(F)(F)F)C2)c1	ZINC000043567788	183372672	/nfs/dbraw/zinc/37/26/72/183372672.db2.gz	QXESBVYTYMBQPI-SECBINFHSA-N	0	0	304.272	2.286	10	5		DEBERN
COC(=O)[C@H](C)Nc1ccc([N+](=O)[O-])cc1Br	ZINC000043596502	183374754	/nfs/dbraw/zinc/37/47/54/183374754.db2.gz	NNNODLPHAINFLO-LURJTMIESA-N	0	0	303.112	2.331	10	5		DEBERN
Cc1nn(Cc2cc3c(c(Cl)c2)OCO3)c(N)c1[N+](=O)[O-]	ZINC000043670864	183378092	/nfs/dbraw/zinc/37/80/92/183378092.db2.gz	CSALRMFNEUXOGN-UHFFFAOYSA-N	0	0	310.697	2.112	10	5		DEBERN
C[C@@H](Nc1[nH]cnc(=NN)c1[N+](=O)[O-])c1ccccc1Cl	ZINC000159501707	197359172	/nfs/dbraw/zinc/35/91/72/197359172.db2.gz	LFQPMEVIKXBJQW-SSDOTTSWSA-N	0	0	308.729	2.497	10	5		DEBERN
C[C@]([NH3+])(CCCOc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)[O-]	ZINC000050471915	183787588	/nfs/dbraw/zinc/78/75/88/183787588.db2.gz	XTLLBGLTBKKCGU-LBPRGKRZSA-N	0	0	302.714	2.209	10	5		DEBERN
Cc1ncc(CNC(=O)c2cc(N)c(F)cc2[N+](=O)[O-])s1	ZINC000050708498	183801720	/nfs/dbraw/zinc/80/17/20/183801720.db2.gz	UFHSKKOGUHGOSY-UHFFFAOYSA-N	0	0	310.310	2.011	10	5		DEBERN
COC(=O)CN(c1cc(OC)c(F)cc1[N+](=O)[O-])C(C)C	ZINC000110626003	194343956	/nfs/dbraw/zinc/34/39/56/194343956.db2.gz	JVMLEUYNHACWMB-UHFFFAOYSA-N	0	0	300.286	2.130	10	5		DEBERN
CC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2N)CCCC1	ZINC000111624238	194412652	/nfs/dbraw/zinc/41/26/52/194412652.db2.gz	ILJAQGXQAJWMOQ-UHFFFAOYSA-N	0	0	313.379	2.036	10	5		DEBERN
O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CCc2cc(Cl)ccc21	ZINC000055739347	183995731	/nfs/dbraw/zinc/99/57/31/183995731.db2.gz	ZXBDQWLPLJGANH-ZDUSSCGKSA-N	0	0	320.736	2.248	10	5		DEBERN
CC1(C)SC[C@H]1Nc1c(Br)cncc1[N+](=O)[O-]	ZINC000338419385	207377605	/nfs/dbraw/zinc/37/76/05/207377605.db2.gz	DCGANFWAIZYLJN-MRVPVSSYSA-N	0	0	318.196	2.480	10	5		DEBERN
CC[C@H]1CN(C(=O)c2cc(N)c(F)cc2[N+](=O)[O-])CCS1	ZINC000158054815	197239785	/nfs/dbraw/zinc/23/97/85/197239785.db2.gz	YIRWLMOFEHBKDP-QMMMGPOBSA-N	0	0	313.354	2.284	10	5		DEBERN
CSCC[C@H](C)N(C)C(=O)c1cc([N+](=O)[O-])ccc1NN	ZINC000157348408	197180913	/nfs/dbraw/zinc/18/09/13/197180913.db2.gz	DSCHUCRFHYZAKV-VIFPVBQESA-N	0	0	312.395	2.094	10	5		DEBERN
O=C1NCCN(Cc2csc([N+](=O)[O-])c2)[C@@H]1c1ccccc1	ZINC000156312217	197103510	/nfs/dbraw/zinc/10/35/10/197103510.db2.gz	VDBXLFGEKHSJGT-CQSZACIVSA-N	0	0	317.370	2.329	10	5		DEBERN
CCCNc1cc(N[C@H](C)CS(C)(=O)=O)cc([N+](=O)[O-])c1	ZINC000156233490	197097215	/nfs/dbraw/zinc/09/72/15/197097215.db2.gz	KYXAQDYXDWEYDM-SNVBAGLBSA-N	0	0	315.395	2.262	10	5		DEBERN
CCc1nc(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)co1	ZINC000542460111	285226039	/nfs/dbraw/zinc/22/60/39/285226039.db2.gz	UHKWSTBYPIYOCY-UHFFFAOYSA-N	0	0	301.302	2.344	10	5		DEBERN
Cc1ccc(NCCCNC(=O)N[C@@H]2C[C@@H]2C)c([N+](=O)[O-])c1	ZINC000154109647	196940283	/nfs/dbraw/zinc/94/02/83/196940283.db2.gz	JHRWOSPHJRREMQ-WCQYABFASA-N	0	0	306.366	2.413	10	5		DEBERN
O=[N+]([O-])c1ccc(CN(C[C@H](O)C(F)(F)F)C2CC2)cc1	ZINC000121863232	195363539	/nfs/dbraw/zinc/36/35/39/195363539.db2.gz	PDXKTBNISVBGDB-LBPRGKRZSA-N	0	0	304.268	2.482	10	5		DEBERN
COC(=O)CCCNc1ncc(Br)cc1[N+](=O)[O-]	ZINC000296645719	533394511	/nfs/dbraw/zinc/39/45/11/533394511.db2.gz	WYRGOZKZDWAJOR-UHFFFAOYSA-N	0	0	318.127	2.117	10	5		DEBERN
COC(=O)[C@]12CCC[C@@H]1CN(c1ccc([N+](=O)[O-])c(OC)c1)C2	ZINC000302206843	533639040	/nfs/dbraw/zinc/63/90/40/533639040.db2.gz	XIDYGLWYDISQNT-BZNIZROVSA-N	0	0	320.345	2.383	10	5		DEBERN
C[C@H](NC(=O)NCC1(CCO)CC1)c1cccc([N+](=O)[O-])c1	ZINC000190337886	533632553	/nfs/dbraw/zinc/63/25/53/533632553.db2.gz	ZFZOQYMQZLICLR-NSHDSACASA-N	0	0	307.350	2.118	10	5		DEBERN
CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3ccccc3[N+](=O)[O-])[C@H]2C1	ZINC000245698817	132569171	/nfs/dbraw/zinc/56/91/71/132569171.db2.gz	KYFVTNODOJNAGB-UGFHNGPFSA-N	0	0	320.345	2.003	10	5		DEBERN
O=[N+]([O-])c1cccnc1N1CCO[C@H](COc2ccccc2)C1	ZINC000357745815	133097230	/nfs/dbraw/zinc/09/72/30/133097230.db2.gz	KXUZBQRAVCNRTR-AWEZNQCLSA-N	0	0	315.329	2.274	10	5		DEBERN
O=[N+]([O-])c1c(NCc2cccnc2)ncnc1N1CCCCC1	ZINC000006269253	134474408	/nfs/dbraw/zinc/47/44/08/134474408.db2.gz	GNWYHFNJVCRIQN-UHFFFAOYSA-N	0	0	314.349	2.382	10	5		DEBERN
O=[N+]([O-])c1cc(Cl)ccc1N1CCO[C@@H](Cn2cccn2)C1	ZINC000108949760	296499096	/nfs/dbraw/zinc/49/90/96/296499096.db2.gz	JGBLYOKSTVNCEY-GFCCVEGCSA-N	0	0	322.752	2.350	10	5		DEBERN
C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@H](C(=O)C2CC2)C1	ZINC000547842852	285648982	/nfs/dbraw/zinc/64/89/82/285648982.db2.gz	LLNDSWUYDKCRHG-NHYWBVRUSA-N	0	0	304.346	2.336	10	5		DEBERN
O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H](CO)CC1CCCC1	ZINC000548886479	285813405	/nfs/dbraw/zinc/81/34/05/285813405.db2.gz	ZZJHUQBMEBIPSI-CQSZACIVSA-N	0	0	321.377	2.335	10	5		DEBERN
CCCc1cc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])n[nH]1	ZINC000173288834	144840119	/nfs/dbraw/zinc/84/01/19/144840119.db2.gz	IXJVVVPVLNIBRS-UHFFFAOYSA-N	0	0	317.349	2.345	10	5		DEBERN
O=C(Nc1cn(Cc2ccccc2)nn1)c1ccccc1[N+](=O)[O-]	ZINC000188261561	145009391	/nfs/dbraw/zinc/00/93/91/145009391.db2.gz	PQVUQNGCSQHTGK-UHFFFAOYSA-N	0	0	323.312	2.487	10	5		DEBERN
Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccc(C2CC2)cc1	ZINC000191308461	145055829	/nfs/dbraw/zinc/05/58/29/145055829.db2.gz	DSDZJTZJNQEIJK-UHFFFAOYSA-N	0	0	300.318	2.136	10	5		DEBERN
O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccco1	ZINC000193591146	145087205	/nfs/dbraw/zinc/08/72/05/145087205.db2.gz	WJBKVNHMEDCGRA-SNVBAGLBSA-N	0	0	303.274	2.266	10	5		DEBERN
O=C([O-])[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C(F)(F)F	ZINC000263024349	145319152	/nfs/dbraw/zinc/31/91/52/145319152.db2.gz	REXBNVFKFIHSLH-GHMZBOCLSA-N	0	0	318.251	2.290	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(Cc2nc3cc(F)ccc3o2)c1=O	ZINC000127230419	401725453	/nfs/dbraw/zinc/72/54/53/401725453.db2.gz	OMSBJXLEKRPTBT-UHFFFAOYSA-N	0	0	303.249	2.394	10	5		DEBERN
O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(F)c([N+](=O)[O-])c1	ZINC000005179298	401728879	/nfs/dbraw/zinc/72/88/79/401728879.db2.gz	BRQWJRXWXQPCLC-OZVVPTBGSA-N	0	0	302.261	2.045	10	5		DEBERN
C[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C(C)(C)C	ZINC000112250304	401734422	/nfs/dbraw/zinc/73/44/22/401734422.db2.gz	BSZFPYMSCOQYIO-SNVBAGLBSA-N	0	0	317.349	2.340	10	5		DEBERN
O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000127715981	401746765	/nfs/dbraw/zinc/74/67/65/401746765.db2.gz	OJWNWCQGJYHURL-PBHICJAKSA-N	0	0	318.373	2.291	10	5		DEBERN
COC(=O)c1sc2c(cc(C(F)(F)F)cc2[N+](=O)[O-])[n+]1[O-]	ZINC000002517020	401714691	/nfs/dbraw/zinc/71/46/91/401714691.db2.gz	MJZGNXXAYOYOQM-UHFFFAOYSA-N	0	0	322.220	2.248	10	5		DEBERN
CCC(C)(CC)NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-]	ZINC000113294381	401775508	/nfs/dbraw/zinc/77/55/08/401775508.db2.gz	OQOJDKMNTIUNCT-UHFFFAOYSA-N	0	0	316.379	2.460	10	5		DEBERN
CCCC[C@H](COC)NS(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000076298487	401789783	/nfs/dbraw/zinc/78/97/83/401789783.db2.gz	ASQKSBHBNXYPBK-SECBINFHSA-N	0	0	322.408	2.140	10	5		DEBERN
Cc1nc(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)no1	ZINC000118648076	401903230	/nfs/dbraw/zinc/90/32/30/401903230.db2.gz	IDIWJTNNYAORLO-MRVPVSSYSA-N	0	0	322.346	2.083	10	5		DEBERN
CSCCCCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-]	ZINC000134827910	401916350	/nfs/dbraw/zinc/91/63/50/401916350.db2.gz	AJVOTSJWBMTLTC-UHFFFAOYSA-N	0	0	308.363	2.386	10	5		DEBERN
CCOC(=O)CN(C(=O)c1cc([N+](=O)[O-])c(C)s1)C1CC1	ZINC000098110022	402137599	/nfs/dbraw/zinc/13/75/99/402137599.db2.gz	FXONNYUXGZSTHT-UHFFFAOYSA-N	0	0	312.347	2.132	10	5		DEBERN
Cc1nn(C)cc1[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000068155121	402185627	/nfs/dbraw/zinc/18/56/27/402185627.db2.gz	XTFMSUKIHQWEII-ZETCQYMHSA-N	0	0	308.363	2.498	10	5		DEBERN
Cc1cc(NC(=O)N2C[C@H](C(N)=O)CC[C@H]2C)ccc1[N+](=O)[O-]	ZINC000153832637	402173568	/nfs/dbraw/zinc/17/35/68/402173568.db2.gz	TVLWIYBXENBTFH-GHMZBOCLSA-N	0	0	320.349	2.021	10	5		DEBERN
O=[N+]([O-])c1ccc(CS(=O)(=O)N(CC(F)F)C2CC2)cc1	ZINC000106896442	402220955	/nfs/dbraw/zinc/22/09/55/402220955.db2.gz	JWEREKSXJLPZGE-UHFFFAOYSA-N	0	0	320.317	2.154	10	5		DEBERN
O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCCO1	ZINC000154830016	402234551	/nfs/dbraw/zinc/23/45/51/402234551.db2.gz	BGQXZHLZMFEGMH-UHFFFAOYSA-N	0	0	305.334	2.363	10	5		DEBERN
Cc1sc(C(=O)Nc2cnc(N(C)C)nc2)cc1[N+](=O)[O-]	ZINC000125562563	402239003	/nfs/dbraw/zinc/23/90/03/402239003.db2.gz	QHSWSIQXHNITID-UHFFFAOYSA-N	0	0	307.335	2.073	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCCCC1	ZINC000070271976	402259289	/nfs/dbraw/zinc/25/92/89/402259289.db2.gz	FCZSSRJZGRRLHC-UHFFFAOYSA-N	0	0	314.363	2.214	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1CNc1ccc(S(C)(=O)=O)nc1	ZINC000184849226	402304195	/nfs/dbraw/zinc/30/41/95/402304195.db2.gz	UYUYBBWNPFQHLL-UHFFFAOYSA-N	0	0	321.358	2.314	10	5		DEBERN
COCCCCS(=O)(=O)Oc1c(Cl)cccc1[N+](=O)[O-]	ZINC000185189135	402332110	/nfs/dbraw/zinc/33/21/10/402332110.db2.gz	BVEBJIALUXHOJT-UHFFFAOYSA-N	0	0	323.754	2.383	10	5		DEBERN
Cc1ccc(Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)c(C)n1	ZINC000186336530	402421942	/nfs/dbraw/zinc/42/19/42/402421942.db2.gz	KPQHQZDRWGCPNF-UHFFFAOYSA-N	0	0	310.313	2.365	10	5		DEBERN
COC(=O)[C@H](C)CN(C)C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1	ZINC000186338405	402422787	/nfs/dbraw/zinc/42/27/87/402422787.db2.gz	RWGUFSKDSALUAE-LMMOQWNQSA-N	0	0	320.345	2.266	10	5		DEBERN
Cc1ccc(C[C@@H](C)N(C)C(=O)c2n[nH]cc2[N+](=O)[O-])cc1	ZINC000162649323	402427330	/nfs/dbraw/zinc/42/73/30/402427330.db2.gz	UXBRMNHVSYIQNI-LLVKDONJSA-N	0	0	302.334	2.330	10	5		DEBERN
C[C@H]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H](C)C1	ZINC000163518510	402451830	/nfs/dbraw/zinc/45/18/30/402451830.db2.gz	RPAIOWAOLUGELZ-RYUDHWBXSA-N	0	0	308.382	2.421	10	5		DEBERN
CN(C[C@H]1CCCO1)C(=O)CCCNc1ccc([N+](=O)[O-])cc1	ZINC000170679550	402513203	/nfs/dbraw/zinc/51/32/03/402513203.db2.gz	FSHWYFLALQDCFU-OAHLLOKOSA-N	0	0	321.377	2.424	10	5		DEBERN
Cc1cccc(C(=O)N[C@H]2Cc3ccccc3[C@@H]2O)c1[N+](=O)[O-]	ZINC000178338369	402486244	/nfs/dbraw/zinc/48/62/44/402486244.db2.gz	ASRHSHHDHQUJIF-HOCLYGCPSA-N	0	0	312.325	2.291	10	5		DEBERN
COc1ccc(C(=O)NC[C@@H]2CCC(C)(C)O2)cc1[N+](=O)[O-]	ZINC000187364257	402496390	/nfs/dbraw/zinc/49/63/90/402496390.db2.gz	QFDVIETUOVGZAF-NSHDSACASA-N	0	0	308.334	2.291	10	5		DEBERN
O=[N+]([O-])c1ccc(OCCN2CCCC[C@@H]2c2nc[nH]n2)cc1	ZINC000182758427	402714016	/nfs/dbraw/zinc/71/40/16/402714016.db2.gz	SWOCXEOFWDIVAK-CQSZACIVSA-N	0	0	317.349	2.319	10	5		DEBERN
Cc1c(C(=O)N[C@H](C)C(C)C)nnn1-c1cccc([N+](=O)[O-])c1	ZINC000253599198	402669659	/nfs/dbraw/zinc/66/96/59/402669659.db2.gz	DCKDXEILOQEZET-SNVBAGLBSA-N	0	0	317.349	2.258	10	5		DEBERN
Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])s1	ZINC000173478576	402699713	/nfs/dbraw/zinc/69/97/13/402699713.db2.gz	YUXSCAHLLATXNJ-MRVPVSSYSA-N	0	0	322.390	2.368	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1nccn1C	ZINC000273220961	402984124	/nfs/dbraw/zinc/98/41/24/402984124.db2.gz	PDMSOIOTZDNKOV-ZRDIBKRKSA-N	0	0	314.345	2.390	10	5		DEBERN
Cc1c(F)cc(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)cc1[N+](=O)[O-]	ZINC000274643232	403073912	/nfs/dbraw/zinc/07/39/12/403073912.db2.gz	BAZIEGSSCZEBLB-RKDXNWHRSA-N	0	0	316.354	2.319	10	5		DEBERN
COCc1nc2n(n1)CCC[C@H]2Nc1ccccc1[N+](=O)[O-]	ZINC000268373724	403077889	/nfs/dbraw/zinc/07/78/89/403077889.db2.gz	HCQOSOFMLONOLP-LLVKDONJSA-N	0	0	303.322	2.280	10	5		DEBERN
COc1ccc(O)c2c(=O)c3c(O)c(OC)c(OC)cc3oc12	ZINC000105640348	286339124	/nfs/dbraw/zinc/33/91/24/286339124.db2.gz	YHSSNUSRPSUDRS-UHFFFAOYSA-N	0	0	318.281	2.383	10	5		DEBERN
CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1nnc(C)[nH]1	ZINC000286427325	403524434	/nfs/dbraw/zinc/52/44/34/403524434.db2.gz	QJRGHYASCHVCEB-AAXQSMANSA-N	0	0	315.333	2.302	10	5		DEBERN
CC[C@H](C)CN(CC)c1nc2ccccn2c(=O)c1[N+](=O)[O-]	ZINC000301490302	403636671	/nfs/dbraw/zinc/63/66/71/403636671.db2.gz	MGJSKZZORPSEKK-NSHDSACASA-N	0	0	304.350	2.475	10	5		DEBERN
C[C@H]1[C@H](O)CCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21	ZINC000296283501	404178168	/nfs/dbraw/zinc/17/81/68/404178168.db2.gz	ZAONAICGZXCWSN-LKFCYVNXSA-N	0	0	303.318	2.062	10	5		DEBERN
Cn1c(C(=O)N2CC3(CCCC3)OC(C)(C)C2)ccc1[N+](=O)[O-]	ZINC000408263134	405156464	/nfs/dbraw/zinc/15/64/64/405156464.db2.gz	BMRYAWIKMBNQQE-UHFFFAOYSA-N	0	0	321.377	2.497	10	5		DEBERN
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCCCCO1	ZINC000408288576	405163020	/nfs/dbraw/zinc/16/30/20/405163020.db2.gz	YXBVZASUNMZFBV-UHFFFAOYSA-N	0	0	320.754	2.354	10	5		DEBERN
COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@H](C)[C@H](C)OC	ZINC000450532660	405944821	/nfs/dbraw/zinc/94/48/21/405944821.db2.gz	QNAGRTNGVGMPHG-ZJUUUORDSA-N	0	0	305.334	2.409	10	5		DEBERN
O=[N+]([O-])c1c(NC[C@@H](CO)c2ccccc2)nc2sccn21	ZINC000487637743	406252825	/nfs/dbraw/zinc/25/28/25/406252825.db2.gz	QGOXCHBONRCULV-NSHDSACASA-N	0	0	318.358	2.492	10	5		DEBERN
NC(=O)c1cc(OC(F)F)c([N+](=O)[O-])cc1Br	ZINC000575683186	406818020	/nfs/dbraw/zinc/81/80/20/406818020.db2.gz	LRBBFFZELMNORC-UHFFFAOYSA-N	0	0	311.038	2.058	10	5		DEBERN
CCOC(=O)Cc1cc(Br)c([N+](=O)[O-])c(OC)c1	ZINC000575699046	406819586	/nfs/dbraw/zinc/81/95/86/406819586.db2.gz	BBUXTKXOBALUAZ-UHFFFAOYSA-N	0	0	318.123	2.472	10	5		DEBERN
CCOc1cc(I)c([N+](=O)[O-])cc1C=O	ZINC000575697667	406819847	/nfs/dbraw/zinc/81/98/47/406819847.db2.gz	GBGZDJPGRIGHBP-UHFFFAOYSA-N	0	0	321.070	2.411	10	5		DEBERN
CS[C@H](C)CCNC(=O)c1cc(N)c(F)cc1[N+](=O)[O-]	ZINC000131428292	196168155	/nfs/dbraw/zinc/16/81/55/196168155.db2.gz	PCLHVPCUPDCPGJ-SSDOTTSWSA-N	0	0	301.343	2.188	10	5		DEBERN
Cc1cccc([N+](=O)[O-])c1N1CCCN(c2cccnn2)CC1	ZINC000131575505	196180820	/nfs/dbraw/zinc/18/08/20/196180820.db2.gz	DFBFLVKAQFMBDH-UHFFFAOYSA-N	0	0	313.361	2.410	10	5		DEBERN
CC[C@H](C)N(CC)S(=O)(=O)c1ccc([N+](=O)[O-])c(NC)c1	ZINC000131895592	196208465	/nfs/dbraw/zinc/20/84/65/196208465.db2.gz	CAGCHEOFMZADJN-JTQLQIEISA-N	0	0	315.395	2.446	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCC[C@H]1O	ZINC000133252955	196325070	/nfs/dbraw/zinc/32/50/70/196325070.db2.gz	AIQUYENLUGCLMD-ZWNOBZJWSA-N	0	0	323.349	2.276	10	5		DEBERN
C[S@@](=O)c1ccc(CNc2cc(CO)ccc2[N+](=O)[O-])cc1	ZINC000302060912	230070614	/nfs/dbraw/zinc/07/06/14/230070614.db2.gz	RYZDJVQNRDBOEN-JOCHJYFZSA-N	0	0	320.370	2.437	10	5		DEBERN
Cc1cc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nnc1C	ZINC000302296242	230210431	/nfs/dbraw/zinc/21/04/31/230210431.db2.gz	MHIPLUQJVXIAIN-UHFFFAOYSA-N	0	0	313.361	2.328	10	5		DEBERN
COc1cccc(C(=O)N2CC[C@@H](C)[C@H](OC)C2)c1[N+](=O)[O-]	ZINC000192912866	424866127	/nfs/dbraw/zinc/86/61/27/424866127.db2.gz	ZOTOIADJYVNTOY-ZWNOBZJWSA-N	0	0	308.334	2.100	10	5		DEBERN
O=[N+]([O-])c1cccc2ncnc(NCCc3ccccc3O)c21	ZINC000436884110	425031903	/nfs/dbraw/zinc/03/19/03/425031903.db2.gz	JPJMVMNYDQPIPV-UHFFFAOYSA-N	0	0	310.313	2.898	10	5		DEBERN
C[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC000173205906	287676822	/nfs/dbraw/zinc/67/68/22/287676822.db2.gz	MEDBUUUIYIOMRG-RKDXNWHRSA-N	0	0	304.393	2.465	10	5		DEBERN
CC(C)[C@@H](C)NC(=O)C1CCN(c2ncccc2[N+](=O)[O-])CC1	ZINC000301118818	277732513	/nfs/dbraw/zinc/73/25/13/277732513.db2.gz	LNYDTXBYKCTRDP-GFCCVEGCSA-N	0	0	320.393	2.367	10	5		DEBERN
CS(=O)(=O)c1cc(N2C[C@@H]3CCC[C@H]3C2)ccc1[N+](=O)[O-]	ZINC000126065274	278118009	/nfs/dbraw/zinc/11/80/09/278118009.db2.gz	IFQIVJGWLRMQGY-QWRGUYRKSA-N	0	0	310.375	2.235	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCO[C@]3(CCOC3)C2)n1	ZINC000408172186	278665748	/nfs/dbraw/zinc/66/57/48/278665748.db2.gz	SYRZUVFSIRTEIF-SWLSCSKDSA-N	0	0	307.350	2.357	10	5		DEBERN
Cc1cc(CN2CCN(c3cc(F)ccc3[N+](=O)[O-])CC2)on1	ZINC000302827073	278687077	/nfs/dbraw/zinc/68/70/77/278687077.db2.gz	BAQXUKPAYAMXCI-UHFFFAOYSA-N	0	0	320.324	2.353	10	5		DEBERN
C[C@@H]1CN(C)c2ccccc2CN1c1c([N+](=O)[O-])ncn1C	ZINC000267850761	278725863	/nfs/dbraw/zinc/72/58/63/278725863.db2.gz	DFHILKFQVOTYEZ-LLVKDONJSA-N	0	0	301.350	2.173	10	5		DEBERN
Cc1ccc(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-]	ZINC000078026160	278787578	/nfs/dbraw/zinc/78/75/78/278787578.db2.gz	ZJQQRGISQOTYLM-LBPRGKRZSA-N	0	0	318.251	2.043	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1	ZINC000123376512	280191035	/nfs/dbraw/zinc/19/10/35/280191035.db2.gz	FQZALDIMVNSIMR-RLCGTCKNSA-N	0	0	310.737	2.091	10	5		DEBERN
Cc1c(C(=O)N2CCOCC[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000374985543	280208257	/nfs/dbraw/zinc/20/82/57/280208257.db2.gz	ZCODMVBBVURYIL-SECBINFHSA-N	0	0	323.305	2.062	10	5		DEBERN
Cc1cc(N2C[C@H](C)[C@H](N3CCOCC3)C2)c(F)cc1[N+](=O)[O-]	ZINC000292589960	280587808	/nfs/dbraw/zinc/58/78/08/280587808.db2.gz	LOXXDTHMMGYLTH-BLLLJJGKSA-N	0	0	323.368	2.199	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)Oc2ncccc21	ZINC000158131865	293608991	/nfs/dbraw/zinc/60/89/91/293608991.db2.gz	JDDMVWPYGMVBGR-SECBINFHSA-N	0	0	314.301	2.121	10	5		DEBERN
Nc1ccc([N+](=O)[O-])c(N2CCO[C@@H](c3cccc(O)c3)C2)c1	ZINC000192800725	295356376	/nfs/dbraw/zinc/35/63/76/295356376.db2.gz	XFWWMXJQGVEHEG-MRXNPFEDSA-N	0	0	315.329	2.461	10	5		DEBERN
COc1ccccc1NC(=O)Cn1cc([N+](=O)[O-])c(C2CC2)n1	ZINC000195050861	534174534	/nfs/dbraw/zinc/17/45/34/534174534.db2.gz	UIZVJIOLAMVIFF-UHFFFAOYSA-N	0	0	316.317	2.316	10	5		DEBERN
CCOC(=O)[C@@](C)(N)CCOc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000051625747	517686112	/nfs/dbraw/zinc/68/61/12/517686112.db2.gz	CBRYORBYECXEHI-ZDUSSCGKSA-N	0	0	316.741	2.298	10	5		DEBERN
COc1cc(CN2[C@H](C)C[C@@H](O)C[C@@H]2C)c([N+](=O)[O-])cc1F	ZINC000248851311	522405025	/nfs/dbraw/zinc/40/50/25/522405025.db2.gz	UCGZDAQXLPYQRL-PEGIJTEDSA-N	0	0	312.341	2.476	10	5		DEBERN
CC(=O)c1ccc(NC[C@@H](CO)c2cccnc2)c([N+](=O)[O-])c1	ZINC000340932279	534868587	/nfs/dbraw/zinc/86/85/87/534868587.db2.gz	KMRIXYRMBMARIS-AWEZNQCLSA-N	0	0	315.329	2.380	10	5		DEBERN
CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN(C(=O)C(C)C)CC1	ZINC000360841758	534879431	/nfs/dbraw/zinc/87/94/31/534879431.db2.gz	IZNOHTUFHIBIHT-UHFFFAOYSA-N	0	0	319.361	2.102	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(NC(C)=O)c2)n1	ZINC000191448585	529154647	/nfs/dbraw/zinc/15/46/47/529154647.db2.gz	FWPMTUNWQJMDLH-UHFFFAOYSA-N	0	0	317.305	2.022	10	5		DEBERN
Cc1cc([C@H]2CN(Cn3nccc3[N+](=O)[O-])CCO2)ccc1F	ZINC000161123296	624808447	/nfs/dbraw/zinc/80/84/47/624808447.db2.gz	ONEVLFKLMJIRIB-CQSZACIVSA-N	0	0	320.324	2.270	10	5		DEBERN
CCCCC[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)C(=O)OC	ZINC000176748378	625057737	/nfs/dbraw/zinc/05/77/37/625057737.db2.gz	YXBCCPRSCQUKTO-ZDUSSCGKSA-N	0	0	323.349	2.150	10	5		DEBERN
CCOC(=O)[C@H](CC1CC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1	ZINC000752386910	639179570	/nfs/dbraw/zinc/17/95/70/639179570.db2.gz	ZKNVWTSIBCSCEM-ZDUSSCGKSA-N	0	0	324.308	2.196	10	5		DEBERN
COc1cc(N2CCO[C@@H](C(F)F)C2)c(F)cc1[N+](=O)[O-]	ZINC000800876532	645315301	/nfs/dbraw/zinc/31/53/01/645315301.db2.gz	HPHQKMSZFSKVEP-LLVKDONJSA-N	0	0	306.240	2.213	10	5		DEBERN
Cc1ccc(NC(=O)N2CCO[C@@H](C(F)F)C2)cc1[N+](=O)[O-]	ZINC000801606952	645423501	/nfs/dbraw/zinc/42/35/01/645423501.db2.gz	YPBQNPHKMYXJKL-LLVKDONJSA-N	0	0	315.276	2.401	10	5		DEBERN
CC(=O)c1ccc([N+](=O)[O-])cc1NCCCN1CCOC1=O	ZINC000807960684	646012185	/nfs/dbraw/zinc/01/21/85/646012185.db2.gz	KEMDXRCUTLIWKA-UHFFFAOYSA-N	0	0	307.306	2.052	10	5		DEBERN
O=C(OCCn1cnc([N+](=O)[O-])n1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	ZINC000166860299	646537907	/nfs/dbraw/zinc/53/79/07/646537907.db2.gz	PFWRSIVXKGSXEV-JHJVBQTASA-N	0	0	322.365	2.336	10	5		DEBERN
C[C@@H]1CO[C@H](c2ccccc2)CN1Cn1nccc1[N+](=O)[O-]	ZINC000171044030	646683547	/nfs/dbraw/zinc/68/35/47/646683547.db2.gz	IRXUYFFTZWMBSE-OCCSQVGLSA-N	0	0	302.334	2.211	10	5		DEBERN
C[C@H](OC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C1CC1	ZINC000171783049	646713482	/nfs/dbraw/zinc/71/34/82/646713482.db2.gz	LBAKTEIRELDACO-VIFPVBQESA-N	0	0	302.290	2.131	10	5		DEBERN
CCCOCCOC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1	ZINC000107414766	651442187	/nfs/dbraw/zinc/44/21/87/651442187.db2.gz	HVDUKIGPQDRFTR-UHFFFAOYSA-N	0	0	319.317	2.364	10	5		DEBERN
Cc1nn(C)c(Cl)c1COC(=O)c1cc([N+](=O)[O-])cnc1C	ZINC000109368939	651945979	/nfs/dbraw/zinc/94/59/79/651945979.db2.gz	XXNCOQCHOPLNPE-UHFFFAOYSA-N	0	0	324.724	2.351	10	5		DEBERN
CCCCN(CCO)C(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000037984088	683885189	/nfs/dbraw/zinc/88/51/89/683885189.db2.gz	KTXDBHYOTPUCCC-UHFFFAOYSA-N	0	0	300.742	2.483	10	5		DEBERN
O=C1OC(c2cccnc2)=N/C1=C/c1csc([N+](=O)[O-])c1	ZINC000130225877	684186719	/nfs/dbraw/zinc/18/67/19/684186719.db2.gz	MACMUNGLLFVOJY-ONNFQVAWSA-N	0	0	301.283	2.396	10	5		DEBERN
O=[N+]([O-])c1cnn(CNC2(c3noc(C4CC4)n3)CCCC2)c1	ZINC000132252908	684207207	/nfs/dbraw/zinc/20/72/07/684207207.db2.gz	DWWLQWLNKORMDC-UHFFFAOYSA-N	0	0	318.337	2.068	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)c1ccc([N+](=O)[O-])cc1	ZINC000192835835	684458470	/nfs/dbraw/zinc/45/84/70/684458470.db2.gz	UPMDDYCEYGBRRM-UHFFFAOYSA-N	0	0	316.273	2.483	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(Cl)nc1	ZINC000194130297	685058534	/nfs/dbraw/zinc/05/85/34/685058534.db2.gz	AWVNUWARVNUCBX-UHFFFAOYSA-N	0	0	306.709	2.277	10	5		DEBERN
CC(C)c1nc([C@@H]2CCCN2Cn2nccc2[N+](=O)[O-])no1	ZINC000195298418	685093256	/nfs/dbraw/zinc/09/32/56/685093256.db2.gz	MHWWKKVKFTUDLQ-JTQLQIEISA-N	0	0	306.326	2.092	10	5		DEBERN
CC(C)N1CC[C@H](N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)C1=O	ZINC000246608175	685133401	/nfs/dbraw/zinc/13/34/01/685133401.db2.gz	WQXJBBCZWZOAHS-NHYWBVRUSA-N	0	0	303.362	2.355	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C(N)=O)C(C)(C)C	ZINC000588440712	777195990	/nfs/dbraw/zinc/19/59/90/777195990.db2.gz	SOWCVYWZJLVZKH-WTNCMQEWSA-N	0	0	319.361	2.014	10	5		DEBERN
COC(=O)/C=C\c1ccc(NCC2(CCO)CC2)c([N+](=O)[O-])c1	ZINC000588524786	777348382	/nfs/dbraw/zinc/34/83/82/777348382.db2.gz	LIPSVDMRNRQNHD-HYXAFXHYSA-N	0	0	320.345	2.356	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(NC(C)=O)cc2)n1	ZINC000138480061	282099524	/nfs/dbraw/zinc/09/95/24/282099524.db2.gz	ZTTMNVCLMLTCGD-UHFFFAOYSA-N	0	0	317.305	2.022	10	5		DEBERN
Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc([N+](=O)[O-])c1C	ZINC000081585145	282100184	/nfs/dbraw/zinc/10/01/84/282100184.db2.gz	XLZLKWBDVDYZJE-LBPRGKRZSA-N	0	0	315.333	2.068	10	5		DEBERN
Cn1cccc1[C@H](O)CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000077101688	185108309	/nfs/dbraw/zinc/10/83/09/185108309.db2.gz	VIRWBKVNTIGHJO-CYBMUJFWSA-N	0	0	323.736	2.050	10	5		DEBERN
COc1cc(N)cc(C[S@@](=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000164233279	197653256	/nfs/dbraw/zinc/65/32/56/197653256.db2.gz	SLMAXBYWBWCWGA-NRFANRHFSA-N	0	0	306.343	2.493	10	5		DEBERN
C[C@@H](Nc1cc(Br)ccc1[N+](=O)[O-])C(=O)N(C)C	ZINC000087834301	185232900	/nfs/dbraw/zinc/23/29/00/185232900.db2.gz	SWJPEYGYCBGKKQ-SSDOTTSWSA-N	0	0	316.155	2.246	10	5		DEBERN
O=[N+]([O-])c1ccc(N[C@H]2C=CS(=O)(=O)C2)cc1C(F)(F)F	ZINC000088859212	185267050	/nfs/dbraw/zinc/26/70/50/185267050.db2.gz	MOCMJUZRXRNUPB-QMMMGPOBSA-N	0	0	322.264	2.336	10	5		DEBERN
Cc1nn(C)c(Cl)c1COc1cc(CO)ccc1[N+](=O)[O-]	ZINC000166871667	197700707	/nfs/dbraw/zinc/70/07/07/197700707.db2.gz	HYXMKWWLFQWZIK-UHFFFAOYSA-N	0	0	311.725	2.361	10	5		DEBERN
CC(C)[C@H](CO)Nc1ncc(Br)cc1[N+](=O)[O-]	ZINC000092401785	185316094	/nfs/dbraw/zinc/31/60/94/185316094.db2.gz	HYSDUDAILHQLGV-QMMMGPOBSA-N	0	0	304.144	2.181	10	5		DEBERN
CCc1nc(C(C)(C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2)no1	ZINC000441712093	529713201	/nfs/dbraw/zinc/71/32/01/529713201.db2.gz	DRQQHYHMHWXAOI-UHFFFAOYSA-N	0	0	322.296	2.344	10	5		DEBERN
O=C1Nc2ccccc2[C@]12CCN(c1ccc([N+](=O)[O-])nc1)C2	ZINC000614524449	362401777	/nfs/dbraw/zinc/40/17/77/362401777.db2.gz	IKAQNZCIYWRBKG-MRXNPFEDSA-N	0	0	310.313	2.090	10	5		DEBERN
COC(=O)c1c(CP(=O)(OC)OC)cccc1[N+](=O)[O-]	ZINC000616219348	362799243	/nfs/dbraw/zinc/79/92/43/362799243.db2.gz	JNCQSUBENLEKFP-UHFFFAOYSA-N	0	0	303.207	2.367	10	5		DEBERN
CCOC(=O)c1ccnc(NCc2cccc(C)n2)c1[N+](=O)[O-]	ZINC000133405399	185981786	/nfs/dbraw/zinc/98/17/86/185981786.db2.gz	IPECWMYYWIDQDY-UHFFFAOYSA-N	0	0	316.317	2.482	10	5		DEBERN
CNc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)C1CCC1	ZINC000138110522	186014353	/nfs/dbraw/zinc/01/43/53/186014353.db2.gz	AESIHINLRYPIJJ-SECBINFHSA-N	0	0	313.379	2.103	10	5		DEBERN
CCO[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C12CCC2	ZINC000152552978	186084518	/nfs/dbraw/zinc/08/45/18/186084518.db2.gz	YMRSRJSFDWCEKE-UONOGXRCSA-N	0	0	319.361	2.376	10	5		DEBERN
Cn1nccc1C1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1	ZINC000172381340	198088637	/nfs/dbraw/zinc/08/86/37/198088637.db2.gz	BYJUJIDBTNGRCX-UHFFFAOYSA-N	0	0	320.374	2.410	10	5		DEBERN
Cc1c(CN2CC[C@](O)(C(F)(F)F)C2)cccc1[N+](=O)[O-]	ZINC000174744650	198379467	/nfs/dbraw/zinc/37/94/67/198379467.db2.gz	YABDSHIAPIPSLR-GFCCVEGCSA-N	0	0	304.268	2.402	10	5		DEBERN
C[C@H]1CC[C@H](C)N(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1	ZINC000175192252	198441973	/nfs/dbraw/zinc/44/19/73/198441973.db2.gz	ZTVPTCXMWRDHLH-RYUDHWBXSA-N	0	0	320.345	2.433	10	5		DEBERN
Cc1ccc(NC(=O)N[C@@H]2CCCn3ncnc32)cc1[N+](=O)[O-]	ZINC000175861372	198518080	/nfs/dbraw/zinc/51/80/80/198518080.db2.gz	HYJDMUOLAPBPFV-LLVKDONJSA-N	0	0	316.321	2.151	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](C)C1	ZINC000030493527	354124910	/nfs/dbraw/zinc/12/49/10/354124910.db2.gz	SCIFUFVYQFCIMM-JTQLQIEISA-N	0	0	314.363	2.024	10	5		DEBERN
O=c1c([N+](=O)[O-])c(N2C[C@@H]3CC=CC[C@@H]3C2)nc2ccccn21	ZINC000078372122	355257213	/nfs/dbraw/zinc/25/72/13/355257213.db2.gz	IWIVMWSJUWHAMF-TXEJJXNPSA-N	0	0	312.329	2.005	10	5		DEBERN
COc1cc(F)c([N+](=O)[O-])c(NCC(=O)Nc2ccccn2)c1	ZINC000092684618	355646556	/nfs/dbraw/zinc/64/65/56/355646556.db2.gz	LGIXUYKCHUBNSN-UHFFFAOYSA-N	0	0	320.280	2.188	10	5		DEBERN
CCc1nn(C)cc1CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1	ZINC000092959268	355658878	/nfs/dbraw/zinc/65/88/78/355658878.db2.gz	SNKURGKYBUYRHC-UHFFFAOYSA-N	0	0	318.333	2.289	10	5		DEBERN
CC(=O)Oc1ccc(C(=O)Nc2ncc([N+](=O)[O-])s2)cc1	ZINC000005378904	181236374	/nfs/dbraw/zinc/23/63/74/181236374.db2.gz	DCESRCUHCILPTF-UHFFFAOYSA-N	0	0	307.287	2.229	10	5		DEBERN
Cn1nnc2ccc(C(=O)N3CCc4c3cccc4[N+](=O)[O-])cc21	ZINC000184086167	356185676	/nfs/dbraw/zinc/18/56/76/356185676.db2.gz	ALAVTTJRJOHPEE-UHFFFAOYSA-N	0	0	323.312	2.079	10	5		DEBERN
CC(=O)c1ccc(SC[C@H]2CN(C)CCO2)c([N+](=O)[O-])c1	ZINC000400941112	356724990	/nfs/dbraw/zinc/72/49/90/356724990.db2.gz	NILQLOHFTVWKBB-GFCCVEGCSA-N	0	0	310.375	2.220	10	5		DEBERN
CC[C@@H](NC(=O)c1ccc(OC)nn1)c1cccc([N+](=O)[O-])c1	ZINC000177796680	198778573	/nfs/dbraw/zinc/77/85/73/198778573.db2.gz	JBHIVSBQUBINOT-GFCCVEGCSA-N	0	0	316.317	2.275	10	5		DEBERN
CN(c1ccc2ncc([N+](=O)[O-])n2n1)C1Cc2ccccc2C1	ZINC000443423075	283266901	/nfs/dbraw/zinc/26/69/01/283266901.db2.gz	PDTSQNSAFWEGQG-UHFFFAOYSA-N	0	0	309.329	2.241	10	5		DEBERN
CS(=O)(=O)CC1(CCNc2ccsc2[N+](=O)[O-])CC1	ZINC000596317905	358666613	/nfs/dbraw/zinc/66/66/13/358666613.db2.gz	VNDVFWAPNFEMJZ-UHFFFAOYSA-N	0	0	304.393	2.283	10	5		DEBERN
CC(=O)c1cc(N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)ccc1[N+](=O)[O-]	ZINC000599168337	359423080	/nfs/dbraw/zinc/42/30/80/359423080.db2.gz	UKZKBZBPWQNIQF-GPAUDHNESA-N	0	0	322.386	2.287	10	5		DEBERN
CO[C@H]1CN(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C	ZINC000187363377	200101857	/nfs/dbraw/zinc/10/18/57/200101857.db2.gz	FDSPSDLRRVVUHQ-FZMZJTMJSA-N	0	0	307.350	2.161	10	5		DEBERN
CCc1[nH]nc(C(=O)Nc2ccnn2[C@H](C)C2CC2)c1[N+](=O)[O-]	ZINC000188375536	200235580	/nfs/dbraw/zinc/23/55/80/200235580.db2.gz	ROLJELQGTUDOQT-MRVPVSSYSA-N	0	0	318.337	2.300	10	5		DEBERN
CCOc1ccc(C(=O)N2CCC[C@H]2COC)cc1[N+](=O)[O-]	ZINC000610624877	361434427	/nfs/dbraw/zinc/43/44/27/361434427.db2.gz	CBGGDOYEJJLANE-LBPRGKRZSA-N	0	0	308.334	2.245	10	5		DEBERN
O=[N+]([O-])c1cc(Br)cnc1N[C@H]1CCC[C@@H](O)C1	ZINC000610769550	361463930	/nfs/dbraw/zinc/46/39/30/361463930.db2.gz	NDBSOYUMKRCXFZ-DTWKUNHWSA-N	0	0	316.155	2.468	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H](c3nncn3C)C2)n1	ZINC000611615783	361645232	/nfs/dbraw/zinc/64/52/32/361645232.db2.gz	DHLGCCMENFYBCY-LBPRGKRZSA-N	0	0	316.365	2.119	10	5		DEBERN
COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCC1CC1	ZINC000619484870	363809288	/nfs/dbraw/zinc/80/92/88/363809288.db2.gz	KYKJXGCYWGYBNO-UHFFFAOYSA-N	0	0	314.363	2.072	10	5		DEBERN
NC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-]	ZINC000006527302	181349345	/nfs/dbraw/zinc/34/93/45/181349345.db2.gz	NWLVGCMLJPYANB-MDZDMXLPSA-N	0	0	311.297	2.346	10	5		DEBERN
CC(=O)c1cc(N2CC[C@@](O)(C(F)F)C2)ccc1[N+](=O)[O-]	ZINC000450700896	242115552	/nfs/dbraw/zinc/11/55/52/242115552.db2.gz	FPEKMQGHQMGGFW-ZDUSSCGKSA-N	0	0	300.261	2.004	10	5		DEBERN
C[C@H]1CN(C(=O)c2cc(Cl)c(NN)c([N+](=O)[O-])c2)C[C@@H]1C	ZINC000092112932	193160724	/nfs/dbraw/zinc/16/07/24/193160724.db2.gz	WSCRURGEJMFXJU-YUMQZZPRSA-N	0	0	312.757	2.262	10	5		DEBERN
O=C(CCCCO)Nc1ccc(Br)cc1[N+](=O)[O-]	ZINC000092172513	193170257	/nfs/dbraw/zinc/17/02/57/193170257.db2.gz	NADOOSAGDIHXSP-UHFFFAOYSA-N	0	0	317.139	2.458	10	5		DEBERN
CCC[C@]1(C)C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000189817220	284038491	/nfs/dbraw/zinc/03/84/91/284038491.db2.gz	UQMSVUURXNASGJ-MRXNPFEDSA-N	0	0	319.361	2.034	10	5		DEBERN
CCCNc1ncc(Cn2cc([N+](=O)[O-])c(C)cc2=O)s1	ZINC000094193814	193348558	/nfs/dbraw/zinc/34/85/58/193348558.db2.gz	PSDVCZKIRAYKHP-UHFFFAOYSA-N	0	0	308.363	2.392	10	5		DEBERN
Cc1cc(N)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CC(C)(C)C	ZINC000094780610	193397687	/nfs/dbraw/zinc/39/76/87/193397687.db2.gz	CQXFZMOGZQOXRB-UHFFFAOYSA-N	0	0	315.395	2.152	10	5		DEBERN
COc1cc([N+](=O)[O-])ccc1NC(=S)NCc1ccncc1	ZINC000013838703	181905876	/nfs/dbraw/zinc/90/58/76/181905876.db2.gz	KHROFLQEZXMTRG-UHFFFAOYSA-N	0	0	318.358	2.485	10	5		DEBERN
C[C@H](O)CNc1ncnc2[nH]c(-c3cccc([N+](=O)[O-])c3)cc21	ZINC000041472482	183193068	/nfs/dbraw/zinc/19/30/68/183193068.db2.gz	QWIDNXDPKWSZIL-VIFPVBQESA-N	0	0	313.317	2.326	10	5		DEBERN
CCCCN(CCO)c1ncc(Br)cc1[N+](=O)[O-]	ZINC000042493169	183276116	/nfs/dbraw/zinc/27/61/16/183276116.db2.gz	TXONBUVCNHMABB-UHFFFAOYSA-N	0	0	318.171	2.351	10	5		DEBERN
CCN(CCOC)c1ncc(Br)cc1[N+](=O)[O-]	ZINC000042515090	183278910	/nfs/dbraw/zinc/27/89/10/183278910.db2.gz	AFVBGQKYOLCZAT-UHFFFAOYSA-N	0	0	304.144	2.225	10	5		DEBERN
CCc1ccc([C@@H](C)NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1	ZINC000043269137	183349904	/nfs/dbraw/zinc/34/99/04/183349904.db2.gz	TWWXKWCLLPCLRG-LLVKDONJSA-N	0	0	302.334	2.231	10	5		DEBERN
Cc1nn(Cc2ccccc2Br)c(N)c1[N+](=O)[O-]	ZINC000043670773	183378624	/nfs/dbraw/zinc/37/86/24/183378624.db2.gz	XJPLFEXRIXMZIE-UHFFFAOYSA-N	0	0	311.139	2.493	10	5		DEBERN
CC[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)C1	ZINC000159475263	197357010	/nfs/dbraw/zinc/35/70/10/197357010.db2.gz	HOPPDTYKQQWRRK-SECBINFHSA-N	0	0	302.327	2.155	10	5		DEBERN
C[C@@H](O)CCC(=O)Nc1cc([N+](=O)[O-])ccc1Br	ZINC000159528938	197361072	/nfs/dbraw/zinc/36/10/72/197361072.db2.gz	ZVCKPNMINIVSGH-SSDOTTSWSA-N	0	0	317.139	2.457	10	5		DEBERN
CC(C)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)C1	ZINC000159471823	197355822	/nfs/dbraw/zinc/35/58/22/197355822.db2.gz	KEDNQQGKYOPTMJ-SNVBAGLBSA-N	0	0	316.354	2.401	10	5		DEBERN
C[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccs1	ZINC000048879786	183693402	/nfs/dbraw/zinc/69/34/02/183693402.db2.gz	LJYIYPMIJUTBRU-SECBINFHSA-N	0	0	319.342	2.472	10	5		DEBERN
CCCNc1ccc(S(=O)(=O)NCCC)c([N+](=O)[O-])c1	ZINC000050636255	183792737	/nfs/dbraw/zinc/79/27/37/183792737.db2.gz	HHNSMIWNZBHKFF-UHFFFAOYSA-N	0	0	301.368	2.105	10	5		DEBERN
CCCNc1ccc(S(=O)(=O)N[C@@H]2C[C@H]2C)c([N+](=O)[O-])c1	ZINC000052302037	183857240	/nfs/dbraw/zinc/85/72/40/183857240.db2.gz	DHQRIUGZPBTPMY-MWLCHTKSSA-N	0	0	313.379	2.103	10	5		DEBERN
CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1C[C@@H]1C	ZINC000052302137	183857344	/nfs/dbraw/zinc/85/73/44/183857344.db2.gz	VYATZVMUWZRZNG-CABZTGNLSA-N	0	0	313.379	2.103	10	5		DEBERN
COC(=O)[C@@H](C)CN(C)C(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000111010628	194382159	/nfs/dbraw/zinc/38/21/59/194382159.db2.gz	XRELWSLMFAGRAY-QMMMGPOBSA-N	0	0	314.725	2.129	10	5		DEBERN
CC(C)(C(=O)c1c[nH]c2c1cccc2[N+](=O)[O-])S(C)(=O)=O	ZINC000157904413	197225086	/nfs/dbraw/zinc/22/50/86/197225086.db2.gz	YKTXTBZSVPOXBV-UHFFFAOYSA-N	0	0	310.331	2.082	10	5		DEBERN
C[C@@H](NC(=O)c1ccc(NN)c([N+](=O)[O-])c1)c1ccsc1	ZINC000061374322	184169356	/nfs/dbraw/zinc/16/93/56/184169356.db2.gz	MQIZHGWCSDUDMX-MRVPVSSYSA-N	0	0	306.347	2.433	10	5		DEBERN
O=[N+]([O-])c1cc(F)c(Br)cc1NC1(CO)CC1	ZINC000158207022	197253031	/nfs/dbraw/zinc/25/30/31/197253031.db2.gz	YJWJLERXOMOMNA-UHFFFAOYSA-N	0	0	305.103	2.433	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cnn(CC(F)F)c1	ZINC000116844844	194776777	/nfs/dbraw/zinc/77/67/77/194776777.db2.gz	GIRZAFLSBMIHPG-UHFFFAOYSA-N	0	0	311.248	2.012	10	5		DEBERN
O=[N+]([O-])c1ccc(N2CCO[C@]3(CCOC3)C2)c2ncccc12	ZINC000274448111	285127873	/nfs/dbraw/zinc/12/78/73/285127873.db2.gz	VTVXSLQEZXJWBD-MRXNPFEDSA-N	0	0	315.329	2.139	10	5		DEBERN
O=[N+]([O-])c1ccc(OC[C@@H](O)C(F)(F)F)c2ncccc12	ZINC000158362800	197266750	/nfs/dbraw/zinc/26/67/50/197266750.db2.gz	MGMGLAAGSCKUOI-SNVBAGLBSA-N	0	0	302.208	2.445	10	5		DEBERN
CNC(=O)CCNc1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000158132439	197246256	/nfs/dbraw/zinc/24/62/56/197246256.db2.gz	QZIRJGZILQRIFG-UHFFFAOYSA-N	0	0	320.118	2.044	10	5		DEBERN
CO[C@@H]1CC[C@H]2OCCN(Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1	ZINC000157988117	197232818	/nfs/dbraw/zinc/23/28/18/197232818.db2.gz	XJHFUYYKFLSGMD-BZUAXINKSA-N	0	0	306.362	2.363	10	5		DEBERN
C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1)C1CC1	ZINC000157409520	197185161	/nfs/dbraw/zinc/18/51/61/197185161.db2.gz	AOBXMQOJKSJRSL-RXMQYKEDSA-N	0	0	310.784	2.387	10	5		DEBERN
CC(C)[C@H](C)CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000157230621	197171358	/nfs/dbraw/zinc/17/13/58/197171358.db2.gz	PDHVMCOKEOFIQE-SECBINFHSA-N	0	0	304.343	2.304	10	5		DEBERN
Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@]2(CC=CCC2)C1	ZINC000120380777	195154925	/nfs/dbraw/zinc/15/49/25/195154925.db2.gz	SEMSERDSRJZIQD-OAHLLOKOSA-N	0	0	304.350	2.291	10	5		DEBERN
Cc1cccc(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)c1[N+](=O)[O-]	ZINC000120456113	195169671	/nfs/dbraw/zinc/16/96/71/195169671.db2.gz	NZKOCYQCOZAUDW-LBPRGKRZSA-N	0	0	318.251	2.043	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])o1)N1CCO[C@H](c2ccsc2)C1	ZINC000120894521	195258946	/nfs/dbraw/zinc/25/89/46/195258946.db2.gz	KBLKBFSQHJOJLY-NSHDSACASA-N	0	0	308.315	2.463	10	5		DEBERN
O=[N+]([O-])c1cnc(N2CCC[C@H](Cn3cncn3)C2)c(Cl)c1	ZINC000122997344	195531558	/nfs/dbraw/zinc/53/15/58/195531558.db2.gz	VJHPUIQJTOWVRU-JTQLQIEISA-N	0	0	322.756	2.151	10	5		DEBERN
CO[C@@H]1CCC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1	ZINC000301766427	533385606	/nfs/dbraw/zinc/38/56/06/533385606.db2.gz	IBOQRPMWEGPCPO-NXEZZACHSA-N	0	0	321.333	2.295	10	5		DEBERN
COC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1	ZINC000301640963	533495381	/nfs/dbraw/zinc/49/53/81/533495381.db2.gz	MDNYPDKKFCPINF-PRHODGIISA-N	0	0	314.725	2.015	10	5		DEBERN
CCOC(=O)CCN(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000195186646	132545500	/nfs/dbraw/zinc/54/55/00/132545500.db2.gz	FDRQDCWTXNIMQA-UHFFFAOYSA-N	0	0	319.317	2.101	10	5		DEBERN
O=C(NCCOCC1CCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21	ZINC000562915587	292016178	/nfs/dbraw/zinc/01/61/78/292016178.db2.gz	ALIYDNFAABEHCE-UHFFFAOYSA-N	0	0	318.333	2.018	10	5		DEBERN
O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H]1CCCC[C@H]1O	ZINC000077160544	144572344	/nfs/dbraw/zinc/57/23/44/144572344.db2.gz	YTIXMGXBONRIMO-IUODEOHRSA-N	0	0	321.377	2.064	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC3(CC3)C2)s1	ZINC000185404353	144961655	/nfs/dbraw/zinc/96/16/55/144961655.db2.gz	BWGHYDDMABHDRX-UHFFFAOYSA-N	0	0	302.377	2.221	10	5		DEBERN
CCOc1ccc(C(=O)N[C@@H](CC)C(C)(C)O)cc1[N+](=O)[O-]	ZINC000358584303	147160152	/nfs/dbraw/zinc/16/01/52/147160152.db2.gz	ILOXJNAEFZLWFX-ZDUSSCGKSA-N	0	0	310.350	2.273	10	5		DEBERN
Cc1ccc([C@H](C)NC(=O)NC[C@@H](CO)C2CC2)cc1[N+](=O)[O-]	ZINC000358903724	147228033	/nfs/dbraw/zinc/22/80/33/147228033.db2.gz	POSHVFOQOIVHND-FZMZJTMJSA-N	0	0	321.377	2.282	10	5		DEBERN
COC(=O)[C@@H]1CCCN(c2cc([N+](=O)[O-])ccc2C(C)=O)C1	ZINC000360987263	147423481	/nfs/dbraw/zinc/42/34/81/147423481.db2.gz	YWLFFTYNUZDQHK-LLVKDONJSA-N	0	0	306.318	2.187	10	5		DEBERN
CN1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1=O	ZINC000361270532	147480241	/nfs/dbraw/zinc/48/02/41/147480241.db2.gz	FTORQSUFLWEQHD-UHFFFAOYSA-N	0	0	301.302	2.086	10	5		DEBERN
CC[C@H](CCO)CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21	ZINC000129921420	401811786	/nfs/dbraw/zinc/81/17/86/401811786.db2.gz	FSXPVZZWVSBYQA-SNVBAGLBSA-N	0	0	305.334	2.215	10	5		DEBERN
CSCCCCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-]	ZINC000128817779	401792950	/nfs/dbraw/zinc/79/29/50/401792950.db2.gz	WICNTRYSSVEGLW-UHFFFAOYSA-N	0	0	318.420	2.325	10	5		DEBERN
O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@@H]1c1ccco1	ZINC000116039243	401840746	/nfs/dbraw/zinc/84/07/46/401840746.db2.gz	KWNJTOZDXDCXRB-GFCCVEGCSA-N	0	0	304.306	2.138	10	5		DEBERN
CC[C@@H](CCO)CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21	ZINC000129921185	401812221	/nfs/dbraw/zinc/81/22/21/401812221.db2.gz	FSXPVZZWVSBYQA-JTQLQIEISA-N	0	0	305.334	2.215	10	5		DEBERN
CCN(Cc1ccccc1)C(=O)Cn1nc(C)c([N+](=O)[O-])c1C	ZINC000015083529	401815699	/nfs/dbraw/zinc/81/56/99/401815699.db2.gz	ABPHAPWMHKAHNA-UHFFFAOYSA-N	0	0	316.361	2.457	10	5		DEBERN
Cc1nc(CCNC(=O)c2cc([N+](=O)[O-])cnc2C)sc1C	ZINC000151569515	402043778	/nfs/dbraw/zinc/04/37/78/402043778.db2.gz	BNJSPHGNZJYZBC-UHFFFAOYSA-N	0	0	320.374	2.344	10	5		DEBERN
Cc1ccc(CCCC(=O)NCCn2cc([N+](=O)[O-])cn2)cc1	ZINC000122248885	402069153	/nfs/dbraw/zinc/06/91/53/402069153.db2.gz	MXCQGVHVSZOVHM-UHFFFAOYSA-N	0	0	316.361	2.239	10	5		DEBERN
Cc1ccc(C(=O)Nc2cnn(-c3ncccn3)c2)cc1[N+](=O)[O-]	ZINC000151981950	402069440	/nfs/dbraw/zinc/06/94/40/402069440.db2.gz	VCUYANBEQFTDEB-UHFFFAOYSA-N	0	0	324.300	2.131	10	5		DEBERN
C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCCO1	ZINC000152879406	402114402	/nfs/dbraw/zinc/11/44/02/402114402.db2.gz	JBFWCRLOXLYNJT-BONVTDFDSA-N	0	0	317.345	2.302	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1-n1cnnn1	ZINC000154253688	402201627	/nfs/dbraw/zinc/20/16/27/402201627.db2.gz	CVYDMSNWJYYWOY-UHFFFAOYSA-N	0	0	324.300	2.131	10	5		DEBERN
Cn1nccc1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000124374144	402176683	/nfs/dbraw/zinc/17/66/83/402176683.db2.gz	WWFXABWUFDEJQE-UHFFFAOYSA-N	0	0	314.345	2.348	10	5		DEBERN
O=C(NC[C@@H]1Cc2ccccc2CO1)c1ccc([N+](=O)[O-])o1	ZINC000219803778	402299611	/nfs/dbraw/zinc/29/96/11/402299611.db2.gz	URLWUTZSNIICLI-LBPRGKRZSA-N	0	0	302.286	2.059	10	5		DEBERN
C/C=C/C[C@H](CO)Nc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1	ZINC000184808940	402301414	/nfs/dbraw/zinc/30/14/14/402301414.db2.gz	XBZYLOMJUKLCLR-SGUJLRQBSA-N	0	0	308.334	2.429	10	5		DEBERN
CC[C@@H](NC(=O)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1)C(=O)OC	ZINC000184844533	402303525	/nfs/dbraw/zinc/30/35/25/402303525.db2.gz	BMFGKDHSSVXIGE-GXTWGEPZSA-N	0	0	322.361	2.231	10	5		DEBERN
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(C)COC1	ZINC000185365065	402346806	/nfs/dbraw/zinc/34/68/06/402346806.db2.gz	MMRHIPNANQJGQA-CYBMUJFWSA-N	0	0	306.362	2.316	10	5		DEBERN
O=[N+]([O-])c1ccc(Cl)c(CN2CCO[C@]3(CCOC3)C2)c1	ZINC000185169946	402330680	/nfs/dbraw/zinc/33/06/80/402330680.db2.gz	ZUPIRJMBDYMMHE-CQSZACIVSA-N	0	0	312.753	2.240	10	5		DEBERN
Cn1ccnc1CC1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1	ZINC000162575449	402425082	/nfs/dbraw/zinc/42/50/82/402425082.db2.gz	ZHNSHNZSDLWWII-UHFFFAOYSA-N	0	0	318.333	2.016	10	5		DEBERN
CC[C@@H](NC(=O)c1ccc(=O)n(C)c1)c1cccc([N+](=O)[O-])c1	ZINC000177787227	402436503	/nfs/dbraw/zinc/43/65/03/402436503.db2.gz	AKPZFJPDKDRIPS-CQSZACIVSA-N	0	0	315.329	2.175	10	5		DEBERN
C[C@@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1	ZINC000186758650	402462045	/nfs/dbraw/zinc/46/20/45/402462045.db2.gz	AXDMLLOBDMKSIH-SSDOTTSWSA-N	0	0	323.255	2.465	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1Cc2ccccc2[C@H]1O	ZINC000178347262	402487617	/nfs/dbraw/zinc/48/76/17/402487617.db2.gz	KZZBGQMFGAEXCA-JKSUJKDBSA-N	0	0	312.325	2.291	10	5		DEBERN
CCC(C)(C)NC(=O)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000170686019	402514379	/nfs/dbraw/zinc/51/43/79/402514379.db2.gz	QZTZTCYEAUYGRP-UHFFFAOYSA-N	0	0	317.349	2.158	10	5		DEBERN
O=C(COc1ccc([N+](=O)[O-])cc1)NCCCc1ccccn1	ZINC000178827694	402544510	/nfs/dbraw/zinc/54/45/10/402544510.db2.gz	KPRFASIWGUXWQJ-UHFFFAOYSA-N	0	0	315.329	2.118	10	5		DEBERN
CO[C@@H]1CC[C@@H]2OCCN(Cc3ccccc3[N+](=O)[O-])[C@H]2C1	ZINC000246934700	402550171	/nfs/dbraw/zinc/55/01/71/402550171.db2.gz	SBZUPQSLATZNRV-KBMXLJTQSA-N	0	0	306.362	2.363	10	5		DEBERN
Cc1nc([C@@H]2CCCN2CCn2ccc([N+](=O)[O-])n2)cs1	ZINC000189793143	402559271	/nfs/dbraw/zinc/55/92/71/402559271.db2.gz	IFLAYIMLVGOBIJ-LBPRGKRZSA-N	0	0	307.379	2.393	10	5		DEBERN
Cc1sc(C(=O)N[C@H]2Cc3ccccc3[C@@H]2O)cc1[N+](=O)[O-]	ZINC000178704926	402528271	/nfs/dbraw/zinc/52/82/71/402528271.db2.gz	LAQNTUUCJICASH-FZMZJTMJSA-N	0	0	318.354	2.353	10	5		DEBERN
CC(C)c1ccc(CN2CC[N@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-]	ZINC000190236298	402586693	/nfs/dbraw/zinc/58/66/93/402586693.db2.gz	APVLABWBTJXHLM-AWEZNQCLSA-N	0	0	321.421	2.217	10	5		DEBERN
CC(C)c1ccc(CN2CC[N@H+](CCO)[C@H](C)C2)cc1[N+](=O)[O-]	ZINC000190236275	402586709	/nfs/dbraw/zinc/58/67/09/402586709.db2.gz	APVLABWBTJXHLM-CQSZACIVSA-N	0	0	321.421	2.217	10	5		DEBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21	ZINC000248417404	402589768	/nfs/dbraw/zinc/58/97/68/402589768.db2.gz	JKZOXRUHUBINJZ-WCFLWFBJSA-N	0	0	306.366	2.137	10	5		DEBERN
O=C(NCCc1ccsc1)c1cc2c(c([N+](=O)[O-])c1)OCO2	ZINC000180338417	402613594	/nfs/dbraw/zinc/61/35/94/402613594.db2.gz	SESJSEAZHNTWEA-UHFFFAOYSA-N	0	0	320.326	2.358	10	5		DEBERN
Cc1c(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)cccc1[N+](=O)[O-]	ZINC000181177887	402637267	/nfs/dbraw/zinc/63/72/67/402637267.db2.gz	NWIZLHPKQNGGJN-CYBMUJFWSA-N	0	0	315.333	2.389	10	5		DEBERN
CO[C@@H]1CN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@@H]1C	ZINC000253339784	402662193	/nfs/dbraw/zinc/66/21/93/402662193.db2.gz	ANQPOUNDEGHAIU-SLEUVZQESA-N	0	0	321.377	2.279	10	5		DEBERN
CCn1cc([C@@H]2CN(Cc3csc([N+](=O)[O-])c3)CCO2)cn1	ZINC000191715849	402688031	/nfs/dbraw/zinc/68/80/31/402688031.db2.gz	YUSXHKXBKBJKRF-ZDUSSCGKSA-N	0	0	322.390	2.446	10	5		DEBERN
CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000175005559	402770657	/nfs/dbraw/zinc/77/06/57/402770657.db2.gz	STEXFXVOZOUWNI-DZGCQCFKSA-N	0	0	303.362	2.294	10	5		DEBERN
CC[C@H](NC(=O)c1cc(OC)no1)c1cccc([N+](=O)[O-])c1	ZINC000182874574	402723649	/nfs/dbraw/zinc/72/36/49/402723649.db2.gz	HUFIUFJEFOVYCG-NSHDSACASA-N	0	0	305.290	2.473	10	5		DEBERN
CCC(CC)(NC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1)C(N)=O	ZINC000183974116	402809923	/nfs/dbraw/zinc/80/99/23/402809923.db2.gz	LJBBUCYKSLVNNK-ZHACJKMWSA-N	0	0	319.361	2.158	10	5		DEBERN
CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1nncs1	ZINC000184312059	402834673	/nfs/dbraw/zinc/83/46/73/402834673.db2.gz	OICMPLZTJQDFGE-UHFFFAOYSA-N	0	0	312.738	2.305	10	5		DEBERN
CC[C@@H](C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)C(=O)OC	ZINC000195224207	402837538	/nfs/dbraw/zinc/83/75/38/402837538.db2.gz	GOCFJJVGRAFUMB-RNCFNFMXSA-N	0	0	308.334	2.221	10	5		DEBERN
COC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1	ZINC000195519583	402850390	/nfs/dbraw/zinc/85/03/90/402850390.db2.gz	PLRKZKWGOKJHED-UHFFFAOYSA-N	0	0	315.285	2.337	10	5		DEBERN
Cn1cc([N+](=O)[O-])c(C(=O)NCC2C3CC4CC(C3)CC2C4)n1	ZINC000271416186	402868535	/nfs/dbraw/zinc/86/85/35/402868535.db2.gz	PBWQPIKXIUYTDN-UHFFFAOYSA-N	0	0	318.377	2.130	10	5		DEBERN
Cc1cc(N2CCC(Nc3cccnn3)CC2)ncc1[N+](=O)[O-]	ZINC000266807866	402993164	/nfs/dbraw/zinc/99/31/64/402993164.db2.gz	FDQROHKWFBTCED-UHFFFAOYSA-N	0	0	314.349	2.169	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1N1CCO[C@@](C)(c2cnn(C)c2)C1	ZINC000268429027	403082324	/nfs/dbraw/zinc/08/23/24/403082324.db2.gz	ZRWPPKZMLQDVCB-MRXNPFEDSA-N	0	0	316.361	2.389	10	5		DEBERN
COC(=O)c1cc(C)nc(N2CCCSCC2)c1[N+](=O)[O-]	ZINC000286167515	403463533	/nfs/dbraw/zinc/46/35/33/403463533.db2.gz	COQGRMVPZVCLAR-UHFFFAOYSA-N	0	0	311.363	2.028	10	5		DEBERN
CN1CCC2(CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)C1=O	ZINC000369371718	404068793	/nfs/dbraw/zinc/06/87/93/404068793.db2.gz	XMDXTDDZLILCNM-UHFFFAOYSA-N	0	0	324.768	2.092	10	5		DEBERN
O=[N+]([O-])c1ccccc1CN1CC(O)(c2ccc(F)cc2)C1	ZINC000364339538	404357366	/nfs/dbraw/zinc/35/73/66/404357366.db2.gz	QSDATRLXENLIQT-UHFFFAOYSA-N	0	0	302.305	2.437	10	5		DEBERN
O=[N+]([O-])c1cc(Br)cnc1NC[C@@H]1[C@H]2COC[C@H]21	ZINC000376184438	404815145	/nfs/dbraw/zinc/81/51/45/404815145.db2.gz	MGYIFXMTAZUCRU-PSVAKVPMSA-N	0	0	314.139	2.057	10	5		DEBERN
COc1cccc(C(=O)Nc2ncn(C(C)(C)C)n2)c1[N+](=O)[O-]	ZINC000436029640	405038317	/nfs/dbraw/zinc/03/83/17/405038317.db2.gz	YIQIIBPYRABBRZ-UHFFFAOYSA-N	0	0	319.321	2.202	10	5		DEBERN
C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000407990893	405085433	/nfs/dbraw/zinc/08/54/33/405085433.db2.gz	QXYXMMJPSMDHFX-GXTWGEPZSA-N	0	0	305.378	2.359	10	5		DEBERN
C[C@@H]1CCOCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1	ZINC000367741939	405141860	/nfs/dbraw/zinc/14/18/60/405141860.db2.gz	WQENVVHSQYHBGG-LLVKDONJSA-N	0	0	318.333	2.256	10	5		DEBERN
Cc1nn(C)c(C)c1NC(=O)Cc1cccc([N+](=O)[O-])c1C	ZINC000439071665	405265075	/nfs/dbraw/zinc/26/50/75/405265075.db2.gz	XFRWJJJMNSCLTG-UHFFFAOYSA-N	0	0	302.334	2.435	10	5		DEBERN
CCc1n[nH]c(C(=O)N[C@@H]2CCCC(F)(F)C2)c1[N+](=O)[O-]	ZINC000488972057	406366788	/nfs/dbraw/zinc/36/67/88/406366788.db2.gz	BCNNJACXJYDYCB-SSDOTTSWSA-N	0	0	302.281	2.188	10	5		DEBERN
COc1c(C(=O)NCCOCC2CCC2)cccc1[N+](=O)[O-]	ZINC000572454970	406669445	/nfs/dbraw/zinc/66/94/45/406669445.db2.gz	XQLRSBRBUIQBBB-UHFFFAOYSA-N	0	0	308.334	2.150	10	5		DEBERN
NC(=O)c1cc([N+](=O)[O-])c(Br)cc1Br	ZINC000575694376	406818911	/nfs/dbraw/zinc/81/89/11/406818911.db2.gz	JQTFIFGOKNUZKA-UHFFFAOYSA-N	0	0	323.928	2.219	10	5		DEBERN
COC(=O)Cc1cc(OC)cc(Br)c1[N+](=O)[O-]	ZINC000575712124	406822163	/nfs/dbraw/zinc/82/21/63/406822163.db2.gz	GAOZOCQDQHTYNT-UHFFFAOYSA-N	0	0	304.096	2.081	10	5		DEBERN
COc1ccc(C=O)c(I)c1[N+](=O)[O-]	ZINC000575728030	406825416	/nfs/dbraw/zinc/82/54/16/406825416.db2.gz	LPSIJZKCARPBQL-UHFFFAOYSA-N	0	0	307.043	2.021	10	5		DEBERN
CN(C1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131159247	196145882	/nfs/dbraw/zinc/14/58/82/196145882.db2.gz	GHKHCSMKVZWUQO-UHFFFAOYSA-N	0	0	302.327	2.297	10	5		DEBERN
CCCN(C(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])c(NC)c1	ZINC000131897283	196208194	/nfs/dbraw/zinc/20/81/94/196208194.db2.gz	STLBZJQCRANWCC-UHFFFAOYSA-N	0	0	315.395	2.446	10	5		DEBERN
CCC(CC)[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1	ZINC000132686425	196276131	/nfs/dbraw/zinc/27/61/31/196276131.db2.gz	JHIRKPAVMULDRG-SECBINFHSA-N	0	0	315.395	2.280	10	5		DEBERN
CNc1cc(S(=O)(=O)N[C@H](C)CC2CC2)ccc1[N+](=O)[O-]	ZINC000132715267	196277823	/nfs/dbraw/zinc/27/78/23/196277823.db2.gz	PPNMRVCXDOILJI-SECBINFHSA-N	0	0	313.379	2.103	10	5		DEBERN
Cc1ccn2c(c1)nnc2NC(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000088254321	418492470	/nfs/dbraw/zinc/49/24/70/418492470.db2.gz	FACHGJIZZGVRLS-UHFFFAOYSA-N	0	0	311.301	2.127	10	5		DEBERN
Cc1nc(C[C@H]2CCCN(c3ccc([N+](=O)[O-])cn3)C2)no1	ZINC000299635015	229285980	/nfs/dbraw/zinc/28/59/80/229285980.db2.gz	UOXSHPPDFOKZBP-LLVKDONJSA-N	0	0	303.322	2.140	10	5		DEBERN
O=C(NCCCC1CC1)c1cc([N+](=O)[O-])cc2c1OCCO2	ZINC000522884786	269463198	/nfs/dbraw/zinc/46/31/98/269463198.db2.gz	RBIUNZUYXANNRN-UHFFFAOYSA-N	0	0	306.318	2.286	10	5		DEBERN
C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C[C@H]1CCCO1	ZINC000245382462	279236825	/nfs/dbraw/zinc/23/68/25/279236825.db2.gz	JJOKNDUCRYIUGB-BXUZGUMPSA-N	0	0	307.350	2.033	10	5		DEBERN
O=C(CCCNc1c2c(ccc1[N+](=O)[O-])NCC2)NC1CC1	ZINC000302768357	279749217	/nfs/dbraw/zinc/74/92/17/279749217.db2.gz	AUOACZSDNPPKOV-UHFFFAOYSA-N	0	0	304.350	2.034	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1c1nc[nH]n1	ZINC000179341195	280190160	/nfs/dbraw/zinc/19/01/60/280190160.db2.gz	KWEIPNYCXFLJOQ-GFCCVEGCSA-N	0	0	301.306	2.080	10	5		DEBERN
CCOC(=O)CC[C@@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1	ZINC000089892938	281625253	/nfs/dbraw/zinc/62/52/53/281625253.db2.gz	WIBRGYGBODAVLB-LLVKDONJSA-N	0	0	323.349	2.126	10	5		DEBERN
Cc1nc(C[C@H]2CCCN(c3ncccc3[N+](=O)[O-])C2)no1	ZINC000299624003	293276992	/nfs/dbraw/zinc/27/69/92/293276992.db2.gz	RAHDBJVZRIIYBT-LLVKDONJSA-N	0	0	303.322	2.140	10	5		DEBERN
COc1cc(N2CCCC3(C2)OCCO3)c([N+](=O)[O-])cc1F	ZINC000270436335	294993929	/nfs/dbraw/zinc/99/39/29/294993929.db2.gz	DATFPMRORKWVCN-UHFFFAOYSA-N	0	0	312.297	2.086	10	5		DEBERN
Nc1ccc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1[N+](=O)[O-]	ZINC000113892052	295350740	/nfs/dbraw/zinc/35/07/40/295350740.db2.gz	BPLFDSNUFPLEIQ-ZDUSSCGKSA-N	0	0	315.333	2.268	10	5		DEBERN
O=[N+]([O-])c1ccccc1S(=O)(=O)c1cccc2c1NCC2	ZINC000089210278	304810422	/nfs/dbraw/zinc/81/04/22/304810422.db2.gz	AHQGYXGQTJRBLG-UHFFFAOYSA-N	0	0	304.327	2.396	10	5		DEBERN
C[Si](C)(C)CCONS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000584626903	337376065	/nfs/dbraw/zinc/37/60/65/337376065.db2.gz	LNBUTJZEKDBTRX-UHFFFAOYSA-N	0	0	318.427	2.143	10	5		DEBERN
CC(C)(C(=O)NC[C@H](CO)C1CC1)c1ccccc1[N+](=O)[O-]	ZINC000357832986	534345499	/nfs/dbraw/zinc/34/54/99/534345499.db2.gz	WQQKIPJJFFOPNK-GFCCVEGCSA-N	0	0	306.362	2.007	10	5		DEBERN
CC(=O)NCCCN(C)c1ccc([N+](=O)[O-])c2cccnc21	ZINC000301295834	526735019	/nfs/dbraw/zinc/73/50/19/526735019.db2.gz	RRUXSYDDLUPDMA-UHFFFAOYSA-N	0	0	302.334	2.105	10	5		DEBERN
CC(C)(C)CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000443710068	527670772	/nfs/dbraw/zinc/67/07/72/527670772.db2.gz	XFQISRFGXJQYFK-UHFFFAOYSA-N	0	0	300.380	2.450	10	5		DEBERN
CCN(CC)C(=O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(C)n1	ZINC000301615630	528054904	/nfs/dbraw/zinc/05/49/04/528054904.db2.gz	BPDZQAAYBXGBNN-ZDUSSCGKSA-N	0	0	306.366	2.135	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2cnc3ccccc3n2)n1	ZINC000191650449	529155225	/nfs/dbraw/zinc/15/52/25/529155225.db2.gz	GKKOCLVOOPCIGO-UHFFFAOYSA-N	0	0	312.289	2.007	10	5		DEBERN
CN(CCOC(=O)CC[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1	ZINC000176116914	624633735	/nfs/dbraw/zinc/63/37/35/624633735.db2.gz	LBSBVPSDSTVKPL-ZDUSSCGKSA-N	0	0	322.361	2.391	10	5		DEBERN
COC(=O)/C=C\c1ccc(NC2CCOCC2)c([N+](=O)[O-])c1	ZINC000255522911	624936008	/nfs/dbraw/zinc/93/60/08/624936008.db2.gz	SVPYODHJCWOMQR-HYXAFXHYSA-N	0	0	306.318	2.372	10	5		DEBERN
COCCc1noc(CN2c3ccc([N+](=O)[O-])cc3C[C@H]2C)n1	ZINC000103464270	637886239	/nfs/dbraw/zinc/88/62/39/637886239.db2.gz	KJSLLMNTECIDCW-SNVBAGLBSA-N	0	0	318.333	2.118	10	5		DEBERN
O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)OCC1CC=CC1	ZINC000750358893	638737163	/nfs/dbraw/zinc/73/71/63/638737163.db2.gz	ZGZKIGPMHJIWHF-UHFFFAOYSA-N	0	0	301.302	2.454	10	5		DEBERN
O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)OCC1CC=CC1	ZINC000750380964	638737818	/nfs/dbraw/zinc/73/78/18/638737818.db2.gz	XVBJVFBGHTUTQU-UHFFFAOYSA-N	0	0	318.329	2.224	10	5		DEBERN
C/C(=C\C(=O)N1C[C@H]2CC[C@@H](C1)O2)c1ccc([N+](=O)[O-])cc1	ZINC000752489306	639189402	/nfs/dbraw/zinc/18/94/02/639189402.db2.gz	LCAVRDXVPMXUQS-OGQTVDGUSA-N	0	0	302.330	2.388	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](CO)C(C)C	ZINC000805311545	640813830	/nfs/dbraw/zinc/81/38/30/640813830.db2.gz	XGYIKWKYQCRNKQ-CEFACKQISA-N	0	0	306.362	2.379	10	5		DEBERN
CC(C)[C@@H](OC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C	ZINC000729694830	640827580	/nfs/dbraw/zinc/82/75/80/640827580.db2.gz	FZODXJRBAYCYDH-YYRKOSNBSA-N	0	0	320.345	2.264	10	5		DEBERN
C/C(=C\C(=O)O[C@@H]1CC(=O)N(C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1	ZINC000806070011	644506447	/nfs/dbraw/zinc/50/64/47/644506447.db2.gz	GOKYJSFEGYEDBX-BBGYYPMSSA-N	0	0	318.329	2.161	10	5		DEBERN
O=C(N[C@@H]1Cc2ccc(Cl)cc2C1)c1ccc([N+](=O)[O-])[nH]1	ZINC000800578178	645289333	/nfs/dbraw/zinc/28/93/33/645289333.db2.gz	DIZPDMMMDWUSAR-LLVKDONJSA-N	0	0	305.721	2.474	10	5		DEBERN
C[C@H](CCC(=O)OCCn1cnc([N+](=O)[O-])n1)c1ccccc1	ZINC000161102451	646740385	/nfs/dbraw/zinc/74/03/85/646740385.db2.gz	JYRHFVPOMMJVFB-GFCCVEGCSA-N	0	0	318.333	2.313	10	5		DEBERN
CCOC(=O)C1(C(=O)OCCc2ccccc2[N+](=O)[O-])CC1	ZINC000181258030	648594336	/nfs/dbraw/zinc/59/43/36/648594336.db2.gz	XZNMAOUAEXWJBK-UHFFFAOYSA-N	0	0	307.302	2.024	10	5		DEBERN
Cc1ccc([C@H](O)CNC(=O)c2cc([N+](=O)[O-])cnc2C)cc1	ZINC000041467283	683890740	/nfs/dbraw/zinc/89/07/40/683890740.db2.gz	IVOJUBVDGRGASG-OAHLLOKOSA-N	0	0	315.329	2.070	10	5		DEBERN
C[C@H](COC(=O)Cn1ccc([N+](=O)[O-])n1)COc1ccccc1	ZINC000129177139	684176912	/nfs/dbraw/zinc/17/69/12/684176912.db2.gz	PXUWRVUBBPOIQA-LBPRGKRZSA-N	0	0	319.317	2.050	10	5		DEBERN
CC(C)c1nnc(COc2cc(C=O)ccc2[N+](=O)[O-])n1C	ZINC000194701131	685075466	/nfs/dbraw/zinc/07/54/66/685075466.db2.gz	WUWFYWCQAQPLOB-UHFFFAOYSA-N	0	0	304.306	2.238	10	5		DEBERN
CC(C)[C@H]1CC[C@H](C(=O)OCCn2cnc([N+](=O)[O-])n2)CC1	ZINC000245530442	685113273	/nfs/dbraw/zinc/11/32/73/685113273.db2.gz	GQSSLQLUXALSCO-HAQNSBGRSA-N	0	0	310.354	2.192	10	5		DEBERN
O=C(OCCn1cnc([N+](=O)[O-])n1)[C@@H]1CC[C@H]2CCCC[C@H]2C1	ZINC000245924060	685121017	/nfs/dbraw/zinc/12/10/17/685121017.db2.gz	PFWRSIVXKGSXEV-FRRDWIJNSA-N	0	0	322.365	2.336	10	5		DEBERN
COC(=O)[C@@H]1C[C@H]1C(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1	ZINC000247063058	685142457	/nfs/dbraw/zinc/14/24/57/685142457.db2.gz	WDXHNVPAJRJWPX-YUSALJHKSA-N	0	0	307.302	2.317	10	5		DEBERN
CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(=O)[nH]c1	ZINC000588446001	777202580	/nfs/dbraw/zinc/20/25/80/777202580.db2.gz	IZUYOZUPQJRTHR-FLIBITNWSA-N	0	0	313.313	2.415	10	5		DEBERN
CO[C@@H]1CC[C@H]1N(C)c1ncc(Br)cc1[N+](=O)[O-]	ZINC000724125977	777249786	/nfs/dbraw/zinc/24/97/86/777249786.db2.gz	JXESYLYUOCCPAZ-PSASIEDQSA-N	0	0	316.155	2.366	10	5		DEBERN
CO[C@@H]1CC[C@@H]1N(C)c1ncc(Br)cc1[N+](=O)[O-]	ZINC000724125994	777250212	/nfs/dbraw/zinc/25/02/12/777250212.db2.gz	JXESYLYUOCCPAZ-WCBMZHEXSA-N	0	0	316.155	2.366	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[C@H](O)C1	ZINC000588575862	777472061	/nfs/dbraw/zinc/47/20/61/777472061.db2.gz	UGWXWDUNYNOEIB-RWYMCXKJSA-N	0	0	304.346	2.275	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NCCc1nc(C(C)C)no1	ZINC000068160483	794976453	/nfs/dbraw/zinc/97/64/53/794976453.db2.gz	JJMVDAFBXLYFIS-UHFFFAOYSA-N	0	0	318.333	2.382	10	5		DEBERN
COc1ccc(NC(=O)c2ccc(Cl)nn2)cc1[N+](=O)[O-]	ZINC000076894762	185050427	/nfs/dbraw/zinc/05/04/27/185050427.db2.gz	BURZXSVGBFTIMZ-UHFFFAOYSA-N	0	0	308.681	2.299	10	5		DEBERN
CCOC(=O)[C@@H](C)CN(C(=O)c1cccc([N+](=O)[O-])c1)C1CC1	ZINC000096759740	185386651	/nfs/dbraw/zinc/38/66/51/185386651.db2.gz	YYWWKVXJBMNIKB-NSHDSACASA-N	0	0	320.345	2.399	10	5		DEBERN
Cc1cccc(C)c1NC(=O)Cn1cc([N+](=O)[O-])cc(C)c1=O	ZINC000096778109	185387241	/nfs/dbraw/zinc/38/72/41/185387241.db2.gz	IJSQILQUPSAGKA-UHFFFAOYSA-N	0	0	315.329	2.320	10	5		DEBERN
O=C(Nc1cnc(Br)cn1)c1ccc([N+](=O)[O-])cc1	ZINC000088448086	185251430	/nfs/dbraw/zinc/25/14/30/185251430.db2.gz	JBDBHTJHCMFLOS-UHFFFAOYSA-N	0	0	323.106	2.400	10	5		DEBERN
CN(Cc1ccccn1)C(=O)c1ccnc(Cl)c1[N+](=O)[O-]	ZINC000088801411	185266188	/nfs/dbraw/zinc/26/61/88/185266188.db2.gz	BYYPTMGVOSFGQG-UHFFFAOYSA-N	0	0	306.709	2.310	10	5		DEBERN
CSCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000167419211	197708098	/nfs/dbraw/zinc/70/80/98/197708098.db2.gz	JEFJRDDSHSRCQX-UHFFFAOYSA-N	0	0	324.811	2.232	10	5		DEBERN
COCCN(c1sc([C@@H](C)O)cc1[N+](=O)[O-])[C@H](C)COC	ZINC000167492578	197709404	/nfs/dbraw/zinc/70/94/04/197709404.db2.gz	LGLJBSICANKSKU-NXEZZACHSA-N	0	0	318.395	2.197	10	5		DEBERN
CCn1nc(C)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1OC	ZINC000013699975	190638961	/nfs/dbraw/zinc/63/89/61/190638961.db2.gz	YNBHPLVKQZQJKI-UHFFFAOYSA-N	0	0	304.306	2.381	10	5		DEBERN
CCc1nc(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])cs1	ZINC000189611097	529741003	/nfs/dbraw/zinc/74/10/03/529741003.db2.gz	KMGDHZYDGOEFMS-UHFFFAOYSA-N	0	0	306.347	2.325	10	5		DEBERN
CCc1nc(CNc2ncc(C(=O)OC)cc2[N+](=O)[O-])cs1	ZINC000302784175	529741039	/nfs/dbraw/zinc/74/10/39/529741039.db2.gz	UOTIRGNZHJTWHD-UHFFFAOYSA-N	0	0	322.346	2.407	10	5		DEBERN
CNc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2C)c1	ZINC000050636882	190679833	/nfs/dbraw/zinc/67/98/33/190679833.db2.gz	YZLCZAQKQPMCCQ-JTQLQIEISA-N	0	0	313.379	2.200	10	5		DEBERN
CNc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)c([N+](=O)[O-])c1	ZINC000050638536	190680334	/nfs/dbraw/zinc/68/03/34/190680334.db2.gz	GFHCRCGTMLKUOY-JTQLQIEISA-N	0	0	313.379	2.057	10	5		DEBERN
CCN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@H](C)c1cccnc1	ZINC000115225547	185667876	/nfs/dbraw/zinc/66/78/76/185667876.db2.gz	AXGMDBMAXJJPSN-GFCCVEGCSA-N	0	0	317.349	2.186	10	5		DEBERN
CCCN1CCCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1=O	ZINC000615948712	362736859	/nfs/dbraw/zinc/73/68/59/362736859.db2.gz	VABKDYWWNMOBKY-UHFFFAOYSA-N	0	0	306.366	2.055	10	5		DEBERN
COCCN(C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C(C)C	ZINC000123736042	185837655	/nfs/dbraw/zinc/83/76/55/185837655.db2.gz	COYWTUMGBXLPEW-UHFFFAOYSA-N	0	0	315.757	2.327	10	5		DEBERN
CSC[C@@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000123956939	185861665	/nfs/dbraw/zinc/86/16/65/185861665.db2.gz	YITVUOHDTYJBSX-MRVPVSSYSA-N	0	0	322.383	2.106	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](O)C(C)(C)C1	ZINC000279959356	215271079	/nfs/dbraw/zinc/27/10/79/215271079.db2.gz	YBUJLKONONKNPV-BMGYJQCNSA-N	0	0	304.346	2.227	10	5		DEBERN
O=[N+]([O-])c1ccc(NN2CCOCC2)c(Br)c1	ZINC000148494328	186044825	/nfs/dbraw/zinc/04/48/25/186044825.db2.gz	INTAYOWDNVUPPU-UHFFFAOYSA-N	0	0	302.128	2.016	10	5		DEBERN
CNc1c(Cl)cc(C(=O)NN2CCCCC2)cc1[N+](=O)[O-]	ZINC000150165629	186055671	/nfs/dbraw/zinc/05/56/71/186055671.db2.gz	IGCZWYKEWOYHEE-UHFFFAOYSA-N	0	0	312.757	2.421	10	5		DEBERN
CCNc1cccc(N[C@H]2CCCS(=O)(=O)C2)c1[N+](=O)[O-]	ZINC000155790386	186113522	/nfs/dbraw/zinc/11/35/22/186113522.db2.gz	ANZNRKJNBHITNN-JTQLQIEISA-N	0	0	313.379	2.016	10	5		DEBERN
CC[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CCN1C	ZINC000155978299	186124668	/nfs/dbraw/zinc/12/46/68/186124668.db2.gz	OHVUVVWQFXEXOO-SNVBAGLBSA-N	0	0	311.769	2.414	10	5		DEBERN
CCCCN(CCO)C(=O)c1cccc(Cl)c1[N+](=O)[O-]	ZINC000155973592	186124856	/nfs/dbraw/zinc/12/48/56/186124856.db2.gz	AFYNQLGBKLOVIR-UHFFFAOYSA-N	0	0	300.742	2.483	10	5		DEBERN
CCC1(CC)CN(C(=O)c2ccccc2[N+](=O)[O-])CC[S@@]1=O	ZINC000183865382	186224825	/nfs/dbraw/zinc/22/48/25/186224825.db2.gz	WAXLFYOZTVCMIK-QFIPXVFZSA-N	0	0	324.402	2.358	10	5		DEBERN
CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@H](C)C1	ZINC000182044985	199378327	/nfs/dbraw/zinc/37/83/27/199378327.db2.gz	LAURDKJOGNTFPJ-RISCZKNCSA-N	0	0	321.377	2.103	10	5		DEBERN
CC(=O)N1CCC[C@@H](CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1	ZINC000280132733	215399426	/nfs/dbraw/zinc/39/94/26/215399426.db2.gz	BHBRZQSQHJMZGH-NSHDSACASA-N	0	0	317.349	2.142	10	5		DEBERN
CSCC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1	ZINC000173632396	198234244	/nfs/dbraw/zinc/23/42/44/198234244.db2.gz	QAQKLFQJPNHSRA-UHFFFAOYSA-N	0	0	310.375	2.328	10	5		DEBERN
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2COc3ccccc32)c1	ZINC000074913381	191385933	/nfs/dbraw/zinc/38/59/33/191385933.db2.gz	CQVXKQDVGIAAIC-ZDUSSCGKSA-N	0	0	320.326	2.007	10	5		DEBERN
Cc1nn(CCC(=O)N2C[C@H](C)CC[C@H]2C)c(C)c1[N+](=O)[O-]	ZINC000075286667	191456159	/nfs/dbraw/zinc/45/61/59/191456159.db2.gz	GQHSXXMBSUUDLX-GHMZBOCLSA-N	0	0	308.382	2.445	10	5		DEBERN
Cn1ncnc1CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	ZINC000080653234	355377741	/nfs/dbraw/zinc/37/77/41/355377741.db2.gz	OLTWJXZHDMWEPR-UHFFFAOYSA-N	0	0	301.228	2.354	10	5		DEBERN
Cc1c(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cnn1C	ZINC000179900308	356036288	/nfs/dbraw/zinc/03/62/88/356036288.db2.gz	UDZJCAQWNHPXNA-UHFFFAOYSA-N	0	0	313.317	2.048	10	5		DEBERN
CCOC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)[nH]n1	ZINC000180936177	356067621	/nfs/dbraw/zinc/06/76/21/356067621.db2.gz	BPJBYFCXFAAOJD-UHFFFAOYSA-N	0	0	318.289	2.055	10	5		DEBERN
CCC[C@H](COC)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000079746212	191967964	/nfs/dbraw/zinc/96/79/64/191967964.db2.gz	LMACUBHJDLDMJS-SNVBAGLBSA-N	0	0	316.379	2.225	10	5		DEBERN
CCc1ccc(C(=O)N[C@@H]2CCCn3ncnc32)cc1[N+](=O)[O-]	ZINC000177531778	198740549	/nfs/dbraw/zinc/74/05/49/198740549.db2.gz	WTCIKGVTXPOZMU-GFCCVEGCSA-N	0	0	315.333	2.014	10	5		DEBERN
COC[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC(C)(C)O1	ZINC000585780727	357354766	/nfs/dbraw/zinc/35/47/66/357354766.db2.gz	JKJKVLXZVQSRJC-NSHDSACASA-N	0	0	321.377	2.193	10	5		DEBERN
CCO[C@@H]1CCCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C1	ZINC000587484278	357381658	/nfs/dbraw/zinc/38/16/58/357381658.db2.gz	ZRCFGVUEARTBHX-LLVKDONJSA-N	0	0	323.349	2.090	10	5		DEBERN
CC1(C)CCCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-]	ZINC000179545016	199053708	/nfs/dbraw/zinc/05/37/08/199053708.db2.gz	JGVROUALAHNDRQ-UHFFFAOYSA-N	0	0	312.391	2.342	10	5		DEBERN
COC[C@H](COc1ccc(Br)cc1[N+](=O)[O-])OC	ZINC000596260713	358654330	/nfs/dbraw/zinc/65/43/30/358654330.db2.gz	KTIAKDCHNFPAKA-SECBINFHSA-N	0	0	320.139	2.398	10	5		DEBERN
COC[C@@H](COc1ccc(Br)cc1[N+](=O)[O-])OC	ZINC000596260714	358654401	/nfs/dbraw/zinc/65/44/01/358654401.db2.gz	KTIAKDCHNFPAKA-VIFPVBQESA-N	0	0	320.139	2.398	10	5		DEBERN
COc1c(F)cc(S(=O)(=O)N[C@@H](C)C(C)C)cc1[N+](=O)[O-]	ZINC000186191988	199926217	/nfs/dbraw/zinc/92/62/17/199926217.db2.gz	PDNAGLTVEUDYFG-QMMMGPOBSA-N	0	0	320.342	2.065	10	5		DEBERN
Cc1nn(C)c(COc2cc(CO)ccc2[N+](=O)[O-])c1Cl	ZINC000089234715	192748292	/nfs/dbraw/zinc/74/82/92/192748292.db2.gz	JOZNWDQDWCHOLP-UHFFFAOYSA-N	0	0	311.725	2.361	10	5		DEBERN
COC(=O)[C@@H](C)CN(C)C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1	ZINC000186338385	199944770	/nfs/dbraw/zinc/94/47/70/199944770.db2.gz	RWGUFSKDSALUAE-ZKQHCESOSA-N	0	0	320.345	2.266	10	5		DEBERN
CCOC(=O)CN(C(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)C	ZINC000187488198	200118810	/nfs/dbraw/zinc/11/88/10/200118810.db2.gz	CTYRQGWGHAWSRX-UHFFFAOYSA-N	0	0	308.334	2.399	10	5		DEBERN
CO[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[C@H]1C	ZINC000187779537	200155695	/nfs/dbraw/zinc/15/56/95/200155695.db2.gz	IHPIXBVTKPKCMO-RNCFNFMXSA-N	0	0	323.305	2.000	10	5		DEBERN
CO[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[C@@H]1C	ZINC000187699547	200146785	/nfs/dbraw/zinc/14/67/85/200146785.db2.gz	YZBIQIOFCPAEEL-WFASDCNBSA-N	0	0	306.362	2.411	10	5		DEBERN
COc1ccc(C(=O)N2CC[C@@H](C)[C@@H](OC)C2)cc1[N+](=O)[O-]	ZINC000187969012	200184597	/nfs/dbraw/zinc/18/45/97/200184597.db2.gz	HDQVRULPTJPIFK-YGRLFVJLSA-N	0	0	308.334	2.100	10	5		DEBERN
COC(=O)CC1(NC(=O)c2csc([N+](=O)[O-])c2)CCCC1	ZINC000193897052	201140651	/nfs/dbraw/zinc/14/06/51/201140651.db2.gz	PPRLJNYZFHVXDY-UHFFFAOYSA-N	0	0	312.347	2.262	10	5		DEBERN
CCCc1n[nH]c(C(=O)NC[C@@H](C)c2ccncc2)c1[N+](=O)[O-]	ZINC000610525933	361417041	/nfs/dbraw/zinc/41/70/41/361417041.db2.gz	BPBBFOGLUFOQMN-SNVBAGLBSA-N	0	0	317.349	2.199	10	5		DEBERN
CCOc1cccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2)n1	ZINC000610760519	361461955	/nfs/dbraw/zinc/46/19/55/361461955.db2.gz	QKMSFCUTHVQWEH-UHFFFAOYSA-N	0	0	315.329	2.361	10	5		DEBERN
COc1cc(NC2CCN(C(C)=O)CC2)c([N+](=O)[O-])cc1F	ZINC000610714837	361450603	/nfs/dbraw/zinc/45/06/03/361450603.db2.gz	NRJQDAVZKWRQQJ-UHFFFAOYSA-N	0	0	311.313	2.165	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(NC2CCN(C(=O)C3CC3)CC2)n1	ZINC000611615702	361645712	/nfs/dbraw/zinc/64/57/12/361645712.db2.gz	KXDSFSANROYUAP-UHFFFAOYSA-N	0	0	318.377	2.420	10	5		DEBERN
Cc1c(Cn2cncc(Br)c2=O)cccc1[N+](=O)[O-]	ZINC000090765487	192931133	/nfs/dbraw/zinc/93/11/33/192931133.db2.gz	QYUBSHDUOYKTOL-UHFFFAOYSA-N	0	0	324.134	2.271	10	5		DEBERN
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCOCC2(CC2)C1	ZINC000611813241	361688321	/nfs/dbraw/zinc/68/83/21/361688321.db2.gz	PJTLLSPGGOHNHZ-GFCCVEGCSA-N	0	0	319.361	2.034	10	5		DEBERN
O=C(C1CC1)[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CCO1	ZINC000619781685	363875591	/nfs/dbraw/zinc/87/55/91/363875591.db2.gz	AAUNWNUPPWFYAV-AWEZNQCLSA-N	0	0	324.764	2.428	10	5		DEBERN
COCCCOCCN(C)c1ncc([N+](=O)[O-])cc1Cl	ZINC000091023841	192971495	/nfs/dbraw/zinc/97/14/95/192971495.db2.gz	RALKRTDWKDZVFU-UHFFFAOYSA-N	0	0	303.746	2.133	10	5		DEBERN
CCN(CC(C)(C)O)c1ncc(Br)cc1[N+](=O)[O-]	ZINC000092970417	193190879	/nfs/dbraw/zinc/19/08/79/193190879.db2.gz	XDHAIDKMFYDHFZ-UHFFFAOYSA-N	0	0	318.171	2.350	10	5		DEBERN
CCOC(=O)[C@H](C)Nc1ncc([N+](=O)[O-])cc1Br	ZINC000093433985	193250487	/nfs/dbraw/zinc/25/04/87/193250487.db2.gz	SHFQFHDTUKIXGA-LURJTMIESA-N	0	0	318.127	2.116	10	5		DEBERN
[NH3+][C@@]1(C(=O)[O-])CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000093760680	193301155	/nfs/dbraw/zinc/30/11/55/193301155.db2.gz	XMQQZKUHIJQOMQ-RNCFNFMXSA-N	0	0	314.725	2.352	10	5		DEBERN
NNc1cc(Cn2cc(C(F)(F)F)cn2)ccc1[N+](=O)[O-]	ZINC000094778738	193396415	/nfs/dbraw/zinc/39/64/15/193396415.db2.gz	KWNJZXYHWGNRAZ-UHFFFAOYSA-N	0	0	301.228	2.144	10	5		DEBERN
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccncc1	ZINC000094779989	193397471	/nfs/dbraw/zinc/39/74/71/193397471.db2.gz	YRYYURRKEAMMNW-UHFFFAOYSA-N	0	0	311.294	2.238	10	5		DEBERN
CCNc1cc(C)c(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-]	ZINC000094780407	193397944	/nfs/dbraw/zinc/39/79/44/193397944.db2.gz	NMTFDEINMWXEFF-UHFFFAOYSA-N	0	0	315.395	2.366	10	5		DEBERN
O=C(N[C@H]1CCCn2ncnc21)c1cc(Cl)cc([N+](=O)[O-])c1	ZINC000177582171	284191494	/nfs/dbraw/zinc/19/14/94/284191494.db2.gz	FAJIWBUMAUHMFY-NSHDSACASA-N	0	0	321.724	2.105	10	5		DEBERN
O=C1N[C@@H](c2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000014392157	181950431	/nfs/dbraw/zinc/95/04/31/181950431.db2.gz	JLVYPKLLIXNOJF-AWEZNQCLSA-N	0	0	311.297	2.388	10	5		DEBERN
NNc1ccc([N+](=O)[O-])c(Sc2nc3ccccc3[nH]2)n1	ZINC000160913152	197449924	/nfs/dbraw/zinc/44/99/24/197449924.db2.gz	OZKNRTRBZXJAEE-UHFFFAOYSA-N	0	0	302.319	2.303	10	5		DEBERN
CO[C@@H]1CC[C@@H](NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1	ZINC000530355558	284407107	/nfs/dbraw/zinc/40/71/07/284407107.db2.gz	QXILHNDDCCULFN-CHWSQXEVSA-N	0	0	319.361	2.230	10	5		DEBERN
CCCCNC(=O)[C@@H](C)n1cc(Br)c([N+](=O)[O-])n1	ZINC000040517352	183089201	/nfs/dbraw/zinc/08/92/01/183089201.db2.gz	BXIBRQWRPHUBML-SSDOTTSWSA-N	0	0	319.159	2.031	10	5		DEBERN
CCOc1ncnc(Nc2ccc(NC(C)=O)cc2)c1[N+](=O)[O-]	ZINC000040659597	183114922	/nfs/dbraw/zinc/11/49/22/183114922.db2.gz	YJYJNBPXCARPDA-UHFFFAOYSA-N	0	0	317.305	2.486	10	5		DEBERN
COC[C@H](C)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1	ZINC000104874671	194048509	/nfs/dbraw/zinc/04/85/09/194048509.db2.gz	KIFXDVXKISQUFZ-VIFPVBQESA-N	0	0	304.306	2.206	10	5		DEBERN
COC(=O)[C@@H](C)CN(C)c1ccc2scnc2c1[N+](=O)[O-]	ZINC000050087548	183772235	/nfs/dbraw/zinc/77/22/35/183772235.db2.gz	COQAYVILLAELBM-QMMMGPOBSA-N	0	0	309.347	2.450	10	5		DEBERN
CCC[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC	ZINC000050632744	183791941	/nfs/dbraw/zinc/79/19/41/183791941.db2.gz	AFFQASZXLWPHCG-JTQLQIEISA-N	0	0	315.395	2.494	10	5		DEBERN
CCCN(C(C)C)S(=O)(=O)c1ccc(NC)c([N+](=O)[O-])c1	ZINC000050652449	183794671	/nfs/dbraw/zinc/79/46/71/183794671.db2.gz	FZIRRMCSCWPWSA-UHFFFAOYSA-N	0	0	315.395	2.446	10	5		DEBERN
CO[C@@H]1CCC[C@@H]1NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1	ZINC000050705361	183800757	/nfs/dbraw/zinc/80/07/57/183800757.db2.gz	PPXHDWOXMAWKDO-GXSJLCMTSA-N	0	0	313.741	2.128	10	5		DEBERN
CCCc1n[nH]c(C(=O)N[C@@H]2COc3ccccc32)c1[N+](=O)[O-]	ZINC000109621016	194277363	/nfs/dbraw/zinc/27/73/63/194277363.db2.gz	UBIVRTRDYASQLG-LLVKDONJSA-N	0	0	316.317	2.134	10	5		DEBERN
CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CCN1C	ZINC000110732713	194354971	/nfs/dbraw/zinc/35/49/71/194354971.db2.gz	YDJWTDRGAMNQEW-JTQLQIEISA-N	0	0	311.769	2.414	10	5		DEBERN
Cc1sc(C(=O)N2CCCN(C3CC3)CC2)cc1[N+](=O)[O-]	ZINC000061604626	184176864	/nfs/dbraw/zinc/17/68/64/184176864.db2.gz	JQYJEEQLWANYPB-UHFFFAOYSA-N	0	0	309.391	2.275	10	5		DEBERN
O=C(c1cc(Cl)c(Cl)c([N+](=O)[O-])c1)N1CC[C@@H](O)C1	ZINC000061712145	184184947	/nfs/dbraw/zinc/18/49/47/184184947.db2.gz	JAVDBEWNUALZSV-SSDOTTSWSA-N	0	0	305.117	2.108	10	5		DEBERN
O=C(c1cccc([N+](=O)[O-])c1)N1CCC(Cn2ccnc2)CC1	ZINC000062128779	184207155	/nfs/dbraw/zinc/20/71/55/184207155.db2.gz	DCVMRFHMFDCECL-UHFFFAOYSA-N	0	0	314.345	2.344	10	5		DEBERN
Cc1ccc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)o1	ZINC000064242315	184293286	/nfs/dbraw/zinc/29/32/86/184293286.db2.gz	WZXYBMGCGVPEAS-UHFFFAOYSA-N	0	0	316.360	2.378	10	5		DEBERN
COc1cc(N2CC[C@@H](c3cnn(C)c3)C2)c(F)cc1[N+](=O)[O-]	ZINC000119783533	195035195	/nfs/dbraw/zinc/03/51/95/195035195.db2.gz	AGZHZUWKXQFMMY-SNVBAGLBSA-N	0	0	320.324	2.470	10	5		DEBERN
C[C@H]1C[C@@H]1CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000159081469	197325921	/nfs/dbraw/zinc/32/59/21/197325921.db2.gz	NSJQTQSFNDBPLQ-JGVFFNPUSA-N	0	0	304.755	2.183	10	5		DEBERN
O=[N+]([O-])c1ccc2nc(NC3CCS(=O)CC3)ccc2c1	ZINC000158451091	197274518	/nfs/dbraw/zinc/27/45/18/197274518.db2.gz	CTZJHLNIFYSVNU-UHFFFAOYSA-N	0	0	305.359	2.466	10	5		DEBERN
COCCn1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)n1	ZINC000157984212	197232802	/nfs/dbraw/zinc/23/28/02/197232802.db2.gz	NHSFTKQYBLUING-UHFFFAOYSA-N	0	0	310.335	2.060	10	5		DEBERN
CC[C@@H](C)N(CC)S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1	ZINC000157560395	197197384	/nfs/dbraw/zinc/19/73/84/197197384.db2.gz	MHRKRESTVCHTJL-SSDOTTSWSA-N	0	0	307.397	2.048	10	5		DEBERN
O=[N+]([O-])c1cc(S(=O)(=O)N2C[C@H]3CC[C@@H]2C3)sc1Cl	ZINC000157422518	197185951	/nfs/dbraw/zinc/18/59/51/197185951.db2.gz	QLEVTDBGINPUTN-NKWVEPMBSA-N	0	0	322.795	2.483	10	5		DEBERN
COC(=O)[C@@]12CCC[C@@H]1CN(c1ccc([N+](=O)[O-])c(OC)c1)C2	ZINC000302206842	533153677	/nfs/dbraw/zinc/15/36/77/533153677.db2.gz	XIDYGLWYDISQNT-BDJLRTHQSA-N	0	0	320.345	2.383	10	5		DEBERN
Nc1ccc(C(=O)Nc2c[nH]nc2-c2ccccn2)cc1[N+](=O)[O-]	ZINC000155407640	197052155	/nfs/dbraw/zinc/05/21/55/197052155.db2.gz	KCSWIJHMYOSTEE-UHFFFAOYSA-N	0	0	324.300	2.214	10	5		DEBERN
Cc1cc(C)c(OC(=O)CCc2ccnn2C)c([N+](=O)[O-])c1	ZINC000120434604	195165804	/nfs/dbraw/zinc/16/58/04/195165804.db2.gz	WWAFWKMJXQIFPW-UHFFFAOYSA-N	0	0	303.318	2.483	10	5		DEBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1nc(C(C)C)cs1	ZINC000120702420	195219481	/nfs/dbraw/zinc/21/94/81/195219481.db2.gz	TYPLOWYABUBBGI-UHFFFAOYSA-N	0	0	309.351	2.318	10	5		DEBERN
Cc1c(C(=O)Nc2cnn(-c3ncccn3)c2)cccc1[N+](=O)[O-]	ZINC000151952887	196751961	/nfs/dbraw/zinc/75/19/61/196751961.db2.gz	HVRIUJQEFKIDOC-UHFFFAOYSA-N	0	0	324.300	2.131	10	5		DEBERN
O=[N+]([O-])c1ccc(CCN2CCCC[C@@H]2c2nc[nH]n2)cc1	ZINC000121821343	195355295	/nfs/dbraw/zinc/35/52/95/195355295.db2.gz	FRIDGYXOHDBUQV-CQSZACIVSA-N	0	0	301.350	2.483	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1C(=O)OC(C)C	ZINC000122031436	195392304	/nfs/dbraw/zinc/39/23/04/195392304.db2.gz	HAXUODSYIAITOM-AWEZNQCLSA-N	0	0	320.345	2.459	10	5		DEBERN
CCC(CC)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC	ZINC000125498475	195757004	/nfs/dbraw/zinc/75/70/04/195757004.db2.gz	HOLGZYOEWHCWSC-UHFFFAOYSA-N	0	0	315.395	2.351	10	5		DEBERN
CCc1ccc(C(=O)Nc2cnc(N(C)C)nc2)cc1[N+](=O)[O-]	ZINC000125825485	195787683	/nfs/dbraw/zinc/78/76/83/195787683.db2.gz	IMPKOBZJMNIURK-UHFFFAOYSA-N	0	0	315.333	2.266	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(CS(C)(=O)=O)no1	ZINC000355504344	533380069	/nfs/dbraw/zinc/38/00/69/533380069.db2.gz	FUCDTRXFMBYIKY-CLFYSBASSA-N	0	0	323.330	2.083	10	5		DEBERN
CC(=O)c1ccc(N[C@H]2CCc3nc[nH]c3C2)c([N+](=O)[O-])c1	ZINC000357583653	133086465	/nfs/dbraw/zinc/08/64/65/133086465.db2.gz	RLAUZGQQZJZRJJ-NSHDSACASA-N	0	0	300.318	2.490	10	5		DEBERN
CS(=O)(=O)Cc1ccccc1CNc1ccc([N+](=O)[O-])nc1	ZINC000362561369	133238626	/nfs/dbraw/zinc/23/86/26/133238626.db2.gz	RFCDIDUCHVHUPC-UHFFFAOYSA-N	0	0	321.358	2.147	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1Cc2ccccc2[C@H]1O	ZINC000178347250	144857200	/nfs/dbraw/zinc/85/72/00/144857200.db2.gz	KZZBGQMFGAEXCA-HZPDHXFCSA-N	0	0	312.325	2.291	10	5		DEBERN
COC(=O)c1cnc(NCc2ccc(Cl)cn2)c([N+](=O)[O-])c1	ZINC000189379127	145027024	/nfs/dbraw/zinc/02/70/24/145027024.db2.gz	JVFKQYOAFSRIQM-UHFFFAOYSA-N	0	0	322.708	2.437	10	5		DEBERN
CCOc1ccc(C(=O)N[C@@H](C)[C@H]2CCOC2)cc1[N+](=O)[O-]	ZINC000358688955	147182268	/nfs/dbraw/zinc/18/22/68/147182268.db2.gz	WSWMFKMRBLNXNI-JQWIXIFHSA-N	0	0	308.334	2.148	10	5		DEBERN
CCOc1ccc(C(=O)N2CCOCC[C@H]2C)cc1[N+](=O)[O-]	ZINC000367748499	147788175	/nfs/dbraw/zinc/78/81/75/147788175.db2.gz	IFANVTNLMSTSNS-LLVKDONJSA-N	0	0	308.334	2.245	10	5		DEBERN
Cn1cc(N2CC[C@H](Nc3ncc(Cl)cc3[N+](=O)[O-])C2)cn1	ZINC000372095961	148169865	/nfs/dbraw/zinc/16/98/65/148169865.db2.gz	REPHTPKOBAHJJE-JTQLQIEISA-N	0	0	322.756	2.068	10	5		DEBERN
COC(=O)CCCCCNC(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000008090241	401748277	/nfs/dbraw/zinc/74/82/77/401748277.db2.gz	OLHMUTCECMZPBD-UHFFFAOYSA-N	0	0	308.334	2.366	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(CCc2ccc3c(c2)CCO3)c1=O	ZINC000127165345	401722725	/nfs/dbraw/zinc/72/27/25/401722725.db2.gz	XEQCLQNWBILLME-UHFFFAOYSA-N	0	0	300.314	2.243	10	5		DEBERN
Nc1c([N+](=O)[O-])cnn1Cc1csc(Br)c1	ZINC000127506402	401737880	/nfs/dbraw/zinc/73/78/80/401737880.db2.gz	DMVULWMQVNNBSW-UHFFFAOYSA-N	0	0	303.141	2.246	10	5		DEBERN
O=c1[nH]c2c(Cc3nn[nH]n3)c3ccccc3n2c2ccccc12	ZINC000000009171	401687366	/nfs/dbraw/zinc/68/73/66/401687366.db2.gz	MUCVVURUYXBTPX-UHFFFAOYSA-N	0	0	316.324	2.038	10	5		DEBERN
O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1C[C@H]1c1ccccc1	ZINC000110440280	401690227	/nfs/dbraw/zinc/69/02/27/401690227.db2.gz	ZESQROUOHUISND-ZFWWWQNUSA-N	0	0	314.345	2.101	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccnn1C	ZINC000127819187	401751587	/nfs/dbraw/zinc/75/15/87/401751587.db2.gz	YKIZHJQDYBBVIE-UHFFFAOYSA-N	0	0	303.322	2.267	10	5		DEBERN
C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1	ZINC000117741520	401882880	/nfs/dbraw/zinc/88/28/80/401882880.db2.gz	PISSKGJGVNLVLC-UWVGGRQHSA-N	0	0	312.753	2.427	10	5		DEBERN
COC(=O)c1cc([N+](=O)[O-])cc(C)c1I	ZINC000035333575	401899052	/nfs/dbraw/zinc/89/90/52/401899052.db2.gz	FTRHIKGZZVSZJP-UHFFFAOYSA-N	0	0	321.070	2.294	10	5		DEBERN
CC(=O)c1cnc(NC(=O)COc2cccc([N+](=O)[O-])c2)s1	ZINC000118631461	401903033	/nfs/dbraw/zinc/90/30/33/401903033.db2.gz	LBGPXPFXKHALJP-UHFFFAOYSA-N	0	0	321.314	2.271	10	5		DEBERN
C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1nnc2n1CCCC2	ZINC000135325785	401936094	/nfs/dbraw/zinc/93/60/94/401936094.db2.gz	BHTIOQVJMFNDSX-MRVPVSSYSA-N	0	0	321.362	2.075	10	5		DEBERN
COc1cc(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)ccn1	ZINC000045143559	401955100	/nfs/dbraw/zinc/95/51/00/401955100.db2.gz	DECLDBPPLSWSJM-UHFFFAOYSA-N	0	0	307.331	2.298	10	5		DEBERN
CCOC(=O)CC[C@H](C)NC(=O)CCc1cccc([N+](=O)[O-])c1	ZINC000089805805	401965229	/nfs/dbraw/zinc/96/52/29/401965229.db2.gz	BTLOKBSDZMDODZ-LBPRGKRZSA-N	0	0	322.361	2.375	10	5		DEBERN
CCOC(=O)CC[C@@H](C)NC(=O)c1cccc(C)c1[N+](=O)[O-]	ZINC000089804443	401965254	/nfs/dbraw/zinc/96/52/54/401965254.db2.gz	BUZXAMCEJUXHDS-LLVKDONJSA-N	0	0	308.334	2.365	10	5		DEBERN
O=C(NCc1cccnc1-n1ccnc1)c1cccc([N+](=O)[O-])c1	ZINC000044899522	401949794	/nfs/dbraw/zinc/94/97/94/401949794.db2.gz	ZOXMBIWPXVQAOO-UHFFFAOYSA-N	0	0	323.312	2.106	10	5		DEBERN
Cc1cccc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)n1	ZINC000050121382	402025624	/nfs/dbraw/zinc/02/56/24/402025624.db2.gz	MHOZFJQQMQRFKW-UHFFFAOYSA-N	0	0	300.318	2.298	10	5		DEBERN
CNC(=O)[C@H]1CCCN1Cc1ccc(C(C)C)c([N+](=O)[O-])c1	ZINC000092098551	402001177	/nfs/dbraw/zinc/00/11/77/402001177.db2.gz	NXVWFIZSDRGNCF-CQSZACIVSA-N	0	0	305.378	2.429	10	5		DEBERN
CC[C@H](C)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000152335023	402090140	/nfs/dbraw/zinc/09/01/40/402090140.db2.gz	KHFWORMVDUHEJC-BONVTDFDSA-N	0	0	305.334	2.408	10	5		DEBERN
O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[C@]2(CCOC2)C1	ZINC000153495682	402148889	/nfs/dbraw/zinc/14/88/89/402148889.db2.gz	GAGXNUCTXRGGPT-APHBUQMISA-N	0	0	302.330	2.247	10	5		DEBERN
O=C(NC[C@@H]1CCC[C@@H](O)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000124017705	402159853	/nfs/dbraw/zinc/15/98/53/402159853.db2.gz	KLCHLYAZVWQFRL-ZYHUDNBSSA-N	0	0	317.345	2.357	10	5		DEBERN
CCCn1nccc1NC(=O)c1cc(OC)ccc1[N+](=O)[O-]	ZINC000067548125	402162354	/nfs/dbraw/zinc/16/23/54/402162354.db2.gz	UHCNDVDGYFEJJK-UHFFFAOYSA-N	0	0	304.306	2.462	10	5		DEBERN
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CC)C(=O)OC	ZINC000184844553	402303654	/nfs/dbraw/zinc/30/36/54/402303654.db2.gz	BMFGKDHSSVXIGE-TZMCWYRMSA-N	0	0	322.361	2.231	10	5		DEBERN
C[C@@H](CO)[C@@H](C)Nc1c(Br)cncc1[N+](=O)[O-]	ZINC000231630046	402355123	/nfs/dbraw/zinc/35/51/23/402355123.db2.gz	ZSSYPVSENYYRCU-NKWVEPMBSA-N	0	0	304.144	2.181	10	5		DEBERN
O=[N+]([O-])c1ccc(Cl)c(CN2CCO[C@@]3(CCOC3)C2)c1	ZINC000185169965	402330666	/nfs/dbraw/zinc/33/06/66/402330666.db2.gz	ZUPIRJMBDYMMHE-AWEZNQCLSA-N	0	0	312.753	2.240	10	5		DEBERN
C[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])C1CCOCC1	ZINC000160169989	402337504	/nfs/dbraw/zinc/33/75/04/402337504.db2.gz	ACTYYWOQCYESRC-GFCCVEGCSA-N	0	0	321.377	2.186	10	5		DEBERN
CC[C@H](NC(=O)CCCNC(=O)OC)c1cccc([N+](=O)[O-])c1	ZINC000177792813	402437026	/nfs/dbraw/zinc/43/70/26/402437026.db2.gz	PMGDOBVHFRLCKD-ZDUSSCGKSA-N	0	0	323.349	2.298	10	5		DEBERN
CC[C@H](NC(=O)CN1CCCCC1=O)c1cccc([N+](=O)[O-])c1	ZINC000177803794	402438024	/nfs/dbraw/zinc/43/80/24/402438024.db2.gz	BQMWRBAFMCKLGN-AWEZNQCLSA-N	0	0	319.361	2.175	10	5		DEBERN
CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CCO1	ZINC000177809714	402438502	/nfs/dbraw/zinc/43/85/02/402438502.db2.gz	JECJNIRLXKGURP-GFCCVEGCSA-N	0	0	308.334	2.305	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1Cc2ccccc2[C@@H]1O	ZINC000178347238	402487442	/nfs/dbraw/zinc/48/74/42/402487442.db2.gz	KZZBGQMFGAEXCA-HOTGVXAUSA-N	0	0	312.325	2.291	10	5		DEBERN
CC1(C)CC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)O1	ZINC000187334854	402494320	/nfs/dbraw/zinc/49/43/20/402494320.db2.gz	HJKDRGRZQVSODX-CYBMUJFWSA-N	0	0	308.334	2.047	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCn2cccc2[C@H]1C	ZINC000171019095	402550331	/nfs/dbraw/zinc/55/03/31/402550331.db2.gz	XIFOWPBKQRZIAO-LLVKDONJSA-N	0	0	300.318	2.317	10	5		DEBERN
COC(=O)[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1	ZINC000171059224	402553666	/nfs/dbraw/zinc/55/36/66/402553666.db2.gz	QYCYIEDJCVOTFW-CYBMUJFWSA-N	0	0	322.361	2.249	10	5		DEBERN
CCCN(C1CC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000171710914	402613405	/nfs/dbraw/zinc/61/34/05/402613405.db2.gz	CVLOKAIVZBLDSW-UHFFFAOYSA-N	0	0	314.363	2.167	10	5		DEBERN
Cc1nc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)no1	ZINC000172314258	402649605	/nfs/dbraw/zinc/64/96/05/402649605.db2.gz	NTWSYKOOJUYXAK-UHFFFAOYSA-N	0	0	318.314	2.431	10	5		DEBERN
CCO[C@@H](CCNC(=O)c1cc([N+](=O)[O-])cnc1C)C(C)C	ZINC000173571596	402703625	/nfs/dbraw/zinc/70/36/25/402703625.db2.gz	BVBYDZMSFKTZLE-AWEZNQCLSA-N	0	0	309.366	2.479	10	5		DEBERN
Cc1ccc(NC(=O)NCC2(C)OCCCO2)cc1[N+](=O)[O-]	ZINC000192164816	402715269	/nfs/dbraw/zinc/71/52/69/402715269.db2.gz	QTQDALNPLLDLRS-UHFFFAOYSA-N	0	0	309.322	2.178	10	5		DEBERN
Cc1c(NC(=O)C(=O)NC[C@H](C)C(C)C)cccc1[N+](=O)[O-]	ZINC000172525725	402660642	/nfs/dbraw/zinc/66/06/42/402660642.db2.gz	VJSFFWXCGWKJAR-JTQLQIEISA-N	0	0	307.350	2.250	10	5		DEBERN
O=C(C/C=C\c1ccc(F)cc1)NCCn1cc([N+](=O)[O-])cn1	ZINC000255509754	402689471	/nfs/dbraw/zinc/68/94/71/402689471.db2.gz	ZWVOXMCZRIYHJU-UPHRSURJSA-N	0	0	318.308	2.150	10	5		DEBERN
CCn1cnnc1C1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1	ZINC000192799235	402750553	/nfs/dbraw/zinc/75/05/53/402750553.db2.gz	YMENMTLLMRVVLI-UHFFFAOYSA-N	0	0	316.365	2.172	10	5		DEBERN
C[C@H]1CO[C@@H](c2ccccc2)CN1CCn1cc([N+](=O)[O-])cn1	ZINC000174843547	402759562	/nfs/dbraw/zinc/75/95/62/402759562.db2.gz	PDPGLKVBGAIFIX-XJKSGUPXSA-N	0	0	316.361	2.253	10	5		DEBERN
CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000174927129	402763829	/nfs/dbraw/zinc/76/38/29/402763829.db2.gz	IQCVWOXOOMRGMS-NSHDSACASA-N	0	0	320.345	2.399	10	5		DEBERN
CC(C)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1	ZINC000175830968	402836339	/nfs/dbraw/zinc/83/63/39/402836339.db2.gz	DVLNYHAEXJWHIS-UHFFFAOYSA-N	0	0	304.393	2.371	10	5		DEBERN
CNC(=O)[C@@H](NCc1cc([N+](=O)[O-])ccc1OC(C)C)C(C)C	ZINC000183657102	402785761	/nfs/dbraw/zinc/78/57/61/402785761.db2.gz	RUJSSVNENKUUKX-HNNXBMFYSA-N	0	0	323.393	2.242	10	5		DEBERN
COCc1nc2n(n1)CCC[C@H]2Nc1ccc([N+](=O)[O-])cc1F	ZINC000268413833	403081045	/nfs/dbraw/zinc/08/10/45/403081045.db2.gz	UPEWSEMVXOVFTD-GFCCVEGCSA-N	0	0	321.312	2.419	10	5		DEBERN
COCc1nc2n(n1)CCC[C@@H]2Nc1ccc(F)cc1[N+](=O)[O-]	ZINC000268411738	403081057	/nfs/dbraw/zinc/08/10/57/403081057.db2.gz	TYOJPUMOXCAIBJ-NSHDSACASA-N	0	0	321.312	2.419	10	5		DEBERN
C[C@@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C[C@H](C)O1	ZINC000283397898	403194758	/nfs/dbraw/zinc/19/47/58/403194758.db2.gz	FFDJVPKTRWKFES-PHIMTYICSA-N	0	0	317.349	2.004	10	5		DEBERN
CC(=O)c1ccc(N[C@@H]2CCC[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1	ZINC000301350412	403618707	/nfs/dbraw/zinc/61/87/07/403618707.db2.gz	IRPQMBHVJFGFOC-VXGBXAGGSA-N	0	0	305.334	2.253	10	5		DEBERN
CO[C@@H]1CN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC[C@H]1C	ZINC000302561531	403711612	/nfs/dbraw/zinc/71/16/12/403711612.db2.gz	NBATWMPUJMVDJV-YMTOWFKASA-N	0	0	318.333	2.105	10	5		DEBERN
O=C(c1ccoc1)N1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1	ZINC000302816522	403729350	/nfs/dbraw/zinc/72/93/50/403729350.db2.gz	LVKJMHJKCKXKAW-UHFFFAOYSA-N	0	0	319.292	2.289	10	5		DEBERN
CSC1(CNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC1	ZINC000302872131	403736328	/nfs/dbraw/zinc/73/63/28/403736328.db2.gz	ZQKHRGDXBIFWNB-UHFFFAOYSA-N	0	0	316.404	2.306	10	5		DEBERN
CC(=O)c1cc([N+](=O)[O-])ccc1OCc1nnnn1C(C)(C)C	ZINC000361914705	403910062	/nfs/dbraw/zinc/91/00/62/403910062.db2.gz	QVALAGLQRSWPOX-UHFFFAOYSA-N	0	0	319.321	2.118	10	5		DEBERN
Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@H]2C)cc([N+](=O)[O-])c1F	ZINC000297086272	404444909	/nfs/dbraw/zinc/44/49/09/404444909.db2.gz	NRTBIBSTLIUFRB-RKDXNWHRSA-N	0	0	302.327	2.071	10	5		DEBERN
COc1cc(C(=O)N2CCOCC[C@@H]2C)cc([N+](=O)[O-])c1C	ZINC000365366221	404634625	/nfs/dbraw/zinc/63/46/25/404634625.db2.gz	RZIBUSKDFLANHC-JTQLQIEISA-N	0	0	308.334	2.163	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[S@](=O)C(C)(C)CC1	ZINC000408471878	405214612	/nfs/dbraw/zinc/21/46/12/405214612.db2.gz	YBTTWHIKZBAWJG-QFIPXVFZSA-N	0	0	324.402	2.276	10	5		DEBERN
CCc1nc(CN(C)c2ccc3ncc([N+](=O)[O-])n3n2)cs1	ZINC000535046880	406207737	/nfs/dbraw/zinc/20/77/37/406207737.db2.gz	SLJMZOCMZJQAKS-UHFFFAOYSA-N	0	0	318.362	2.293	10	5		DEBERN
CC(=O)N1CCN(c2ccc3ncccc3c2[N+](=O)[O-])[C@@H](C)C1	ZINC000534270339	406175160	/nfs/dbraw/zinc/17/51/60/406175160.db2.gz	VTVJXDCEVXAXDI-NSHDSACASA-N	0	0	314.345	2.200	10	5		DEBERN
CO[C@H](C)[C@H](C)NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1	ZINC000526962932	406560846	/nfs/dbraw/zinc/56/08/46/406560846.db2.gz	CJBVFFVHXPTEJE-WDEREUQCSA-N	0	0	307.350	2.086	10	5		DEBERN
CCOc1cc(C=O)c([N+](=O)[O-])cc1I	ZINC000575698392	406819864	/nfs/dbraw/zinc/81/98/64/406819864.db2.gz	NZVJNBQLVZIUOQ-UHFFFAOYSA-N	0	0	321.070	2.411	10	5		DEBERN
Nc1nc(Cl)nc(Oc2ccc(Cl)cc2[N+](=O)[O-])n1	ZINC000129239320	196032247	/nfs/dbraw/zinc/03/22/47/196032247.db2.gz	HZEXNLOARJRFBN-UHFFFAOYSA-N	0	0	302.077	2.461	10	5		DEBERN
CS[C@@H](C)CCNC(=O)c1cc(N)c(F)cc1[N+](=O)[O-]	ZINC000131428116	196167902	/nfs/dbraw/zinc/16/79/02/196167902.db2.gz	PCLHVPCUPDCPGJ-ZETCQYMHSA-N	0	0	301.343	2.188	10	5		DEBERN
CCCNc1cc(S(=O)(=O)NC(C)(C)C)ccc1[N+](=O)[O-]	ZINC000131705599	196192383	/nfs/dbraw/zinc/19/23/83/196192383.db2.gz	OJZKATAQNUACJW-UHFFFAOYSA-N	0	0	315.395	2.494	10	5		DEBERN
CCCN(CC)S(=O)(=O)c1ccc([N+](=O)[O-])c(NC)c1	ZINC000131880889	196206247	/nfs/dbraw/zinc/20/62/47/196206247.db2.gz	UQKXMZIINMDDDT-UHFFFAOYSA-N	0	0	301.368	2.057	10	5		DEBERN
C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])C1	ZINC000131954920	196213183	/nfs/dbraw/zinc/21/31/83/196213183.db2.gz	SMFUMDZAIVKQAK-SCZZXKLOSA-N	0	0	302.327	2.201	10	5		DEBERN
CC(C)N(C(=O)Cn1ccc([N+](=O)[O-])n1)c1ccc(F)cc1	ZINC000132083551	196225242	/nfs/dbraw/zinc/22/52/42/196225242.db2.gz	IPZDAUYHKCQMMK-UHFFFAOYSA-N	0	0	306.297	2.372	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCCc2c(C)cccc2C)n1	ZINC000191675445	225114736	/nfs/dbraw/zinc/11/47/36/225114736.db2.gz	UCXGHTBWAVYXMZ-UHFFFAOYSA-N	0	0	316.361	2.401	10	5		DEBERN
Cc1cc(N(C)Cc2cnc(N(C)C)nc2)ccc1[N+](=O)[O-]	ZINC000302046079	230060268	/nfs/dbraw/zinc/06/02/68/230060268.db2.gz	UPYUMEGHBNBZHT-UHFFFAOYSA-N	0	0	301.350	2.396	10	5		DEBERN
O=[N+]([O-])c1ccc(-c2csc(NC[C@H](O)C(F)F)n2)cc1	ZINC000450502979	425076176	/nfs/dbraw/zinc/07/61/76/425076176.db2.gz	UCKIDEZSTKNINQ-JTQLQIEISA-N	0	0	315.301	2.756	10	5		DEBERN
C[C@@H]1CC[C@H](C)N(c2nc3ccccn3c(=O)c2[N+](=O)[O-])C1	ZINC000301411697	287736793	/nfs/dbraw/zinc/73/67/93/287736793.db2.gz	ADTJNEFBKGFSEV-MNOVXSKESA-N	0	0	302.334	2.228	10	5		DEBERN
Cc1cc(CN2CCN(c3cc(F)ccc3[N+](=O)[O-])CC2)no1	ZINC000302826260	278687242	/nfs/dbraw/zinc/68/72/42/278687242.db2.gz	AOAHTMZUVKSKFT-UHFFFAOYSA-N	0	0	320.324	2.353	10	5		DEBERN
CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000179455277	279132472	/nfs/dbraw/zinc/13/24/72/279132472.db2.gz	ACUIUVJVIXMXGI-LLVKDONJSA-N	0	0	309.366	2.007	10	5		DEBERN
CC[C@H]1CN(c2nc(C)cc(C)c2[N+](=O)[O-])C[C@@]2(CCOC2)O1	ZINC000408335376	288302090	/nfs/dbraw/zinc/30/20/90/288302090.db2.gz	HARGBUCGQXKLPI-XJKSGUPXSA-N	0	0	321.377	2.381	10	5		DEBERN
Cc1ccnc(N2CCC[C@@H](NC(=O)C(C)C)C2)c1[N+](=O)[O-]	ZINC000301293056	302270389	/nfs/dbraw/zinc/27/03/89/302270389.db2.gz	OEALEUAIWBQACJ-GFCCVEGCSA-N	0	0	306.366	2.039	10	5		DEBERN
CCCC(=O)NCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1	ZINC000163874387	325709321	/nfs/dbraw/zinc/70/93/21/325709321.db2.gz	UFYVORBDUOMYHB-UHFFFAOYSA-N	0	0	319.361	2.002	10	5		DEBERN
CCOC(=O)c1cn2c(ccc([N+](=O)[O-])c2Br)n1	ZINC000504757681	340152144	/nfs/dbraw/zinc/15/21/44/340152144.db2.gz	WWPRHRHRZSPYKN-UHFFFAOYSA-N	0	0	314.095	2.182	10	5		DEBERN
O=C(NCCOCC1CCC1)NCCc1ccc([N+](=O)[O-])cc1	ZINC000577912540	341948287	/nfs/dbraw/zinc/94/82/87/341948287.db2.gz	XQENILPJTOYTEI-UHFFFAOYSA-N	0	0	321.377	2.253	10	5		DEBERN
Cc1noc(C)c1CCCNc1ccc2ncc([N+](=O)[O-])n2n1	ZINC000301969041	534339953	/nfs/dbraw/zinc/33/99/53/534339953.db2.gz	QCCCTOXXAKSSFF-UHFFFAOYSA-N	0	0	316.321	2.287	10	5		DEBERN
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(C)COC1	ZINC000112616496	525988766	/nfs/dbraw/zinc/98/87/66/525988766.db2.gz	SZPYMLRGUZHKBX-SNVBAGLBSA-N	0	0	310.375	2.228	10	5		DEBERN
CC1(C)CC[C@@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])O1	ZINC000187327009	529021248	/nfs/dbraw/zinc/02/12/48/529021248.db2.gz	JHFHOWNKXQVVFP-NSHDSACASA-N	0	0	307.350	2.081	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2C[C@H]2c2ccccc2)n1	ZINC000191611573	536093825	/nfs/dbraw/zinc/09/38/25/536093825.db2.gz	CQOZTJDONZPWNA-OLZOCXBDSA-N	0	0	314.345	2.345	10	5		DEBERN
CCOc1cc(C(=O)OCCn2cc([N+](=O)[O-])cn2)ccc1C	ZINC000177789413	625090243	/nfs/dbraw/zinc/09/02/43/625090243.db2.gz	NORHURNGPNSCTC-UHFFFAOYSA-N	0	0	319.317	2.355	10	5		DEBERN
CCOc1ccc(C(=O)OC/C=C(/C)C(=O)OC)cc1[N+](=O)[O-]	ZINC000748165454	638519851	/nfs/dbraw/zinc/51/98/51/638519851.db2.gz	JCZXBRKCTMXREJ-YFHOEESVSA-N	0	0	323.301	2.270	10	5		DEBERN
O=[N+]([O-])c1c(NC[C@H](CO)c2ccccc2)nc2ccccn21	ZINC000749286412	638631984	/nfs/dbraw/zinc/63/19/84/638631984.db2.gz	NLXGMEUGDCEWBH-CYBMUJFWSA-N	0	0	312.329	2.431	10	5		DEBERN
O=C(OCC1CC=CC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000750363381	638736788	/nfs/dbraw/zinc/73/67/88/638736788.db2.gz	DDDJHOIHJURQAY-UHFFFAOYSA-N	0	0	314.301	2.299	10	5		DEBERN
CC(=O)N1CSC[C@@H]1C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1	ZINC000728167786	639045389	/nfs/dbraw/zinc/04/53/89/639045389.db2.gz	ULFPYVRGNJVZEY-TVQRCGJNSA-N	0	0	324.358	2.120	10	5		DEBERN
CCOC(=O)[C@@H](CC1CC1)NC(=O)c1ccc([N+](=O)[O-])s1	ZINC000752383386	639177584	/nfs/dbraw/zinc/17/75/84/639177584.db2.gz	LXMWCICKXLLFMD-SECBINFHSA-N	0	0	312.347	2.118	10	5		DEBERN
CC(=O)CCC(=O)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1	ZINC000800407384	645268252	/nfs/dbraw/zinc/26/82/52/645268252.db2.gz	CELVVCQPCMMDKM-LBPRGKRZSA-N	0	0	324.308	2.225	10	5		DEBERN
O=[N+]([O-])c1ccc(NC(=S)N2CCO[C@@H](C(F)F)C2)cc1	ZINC000800819401	645308626	/nfs/dbraw/zinc/30/86/26/645308626.db2.gz	LQDMRYJFWCQIGX-SNVBAGLBSA-N	0	0	317.317	2.258	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCO[C@@H](C(F)F)C1	ZINC000801714824	645433461	/nfs/dbraw/zinc/43/34/61/645433461.db2.gz	YOCQLIOGERHJMY-LLVKDONJSA-N	0	0	315.276	2.401	10	5		DEBERN
C/C(=C\C(=O)N1CCOCC12CC2)c1ccc([N+](=O)[O-])cc1	ZINC000801745193	645436597	/nfs/dbraw/zinc/43/65/97/645436597.db2.gz	XUSVKVLAKXJYEK-ZRDIBKRKSA-N	0	0	302.330	2.390	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OC[C@]1(C)CNC(=O)C1	ZINC000802202643	645499112	/nfs/dbraw/zinc/49/91/12/645499112.db2.gz	SADFRDSHSKFAEU-UBAGTECSSA-N	0	0	318.329	2.068	10	5		DEBERN
C/C(=C/C(=O)OCCCC(=O)N(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000802984407	645590704	/nfs/dbraw/zinc/59/07/04/645590704.db2.gz	NMFCCQNCBSDPGH-QXMHVHEDSA-N	0	0	320.345	2.410	10	5		DEBERN
CN(CCc1ccccc1[N+](=O)[O-])C(=O)Cc1ccc(F)cn1	ZINC000804176526	645736426	/nfs/dbraw/zinc/73/64/26/645736426.db2.gz	BDJQAEMEYLAMLX-UHFFFAOYSA-N	0	0	317.320	2.373	10	5		DEBERN
O=C(CCOC[C@H]1CCCO1)OCCc1ccccc1[N+](=O)[O-]	ZINC000151247503	646316987	/nfs/dbraw/zinc/31/69/87/646316987.db2.gz	CVNMQQDUFWOPAB-CQSZACIVSA-N	0	0	323.345	2.266	10	5		DEBERN
Cc1sc(C(=O)NC[C@@H](O)c2ccccc2)cc1[N+](=O)[O-]	ZINC000045140921	646467633	/nfs/dbraw/zinc/46/76/33/646467633.db2.gz	PXSAMALWCXACEZ-GFCCVEGCSA-N	0	0	306.343	2.428	10	5		DEBERN
CC(=O)N1CCC[C@@H](C(=O)O[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1	ZINC000171569814	646706259	/nfs/dbraw/zinc/70/62/59/646706259.db2.gz	IHCMMBWNQFUZNG-SMDDNHRTSA-N	0	0	320.345	2.458	10	5		DEBERN
C[C@H](OC(=O)c1ccc(=O)n(C)c1)c1ccc([N+](=O)[O-])cc1	ZINC000103804195	647339347	/nfs/dbraw/zinc/33/93/47/647339347.db2.gz	XRQRWAUKUMFBCV-JTQLQIEISA-N	0	0	302.286	2.212	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000195519485	648292637	/nfs/dbraw/zinc/29/26/37/648292637.db2.gz	SPQVMXMKAVXYAX-UHFFFAOYSA-N	0	0	302.246	2.459	10	5		DEBERN
CC(C)[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000036841438	683881658	/nfs/dbraw/zinc/88/16/58/683881658.db2.gz	FTJWGOHFSNFFDU-LBPRGKRZSA-N	0	0	321.377	2.206	10	5		DEBERN
COc1ccccc1[C@@H](O)CNC(=O)c1ccccc1[N+](=O)[O-]	ZINC000041453770	683890303	/nfs/dbraw/zinc/89/03/03/683890303.db2.gz	LDOWWPZPOWDIOC-AWEZNQCLSA-N	0	0	316.313	2.067	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1OC(=O)CCOCC(F)(F)F	ZINC000074455498	683931609	/nfs/dbraw/zinc/93/16/09/683931609.db2.gz	VCNYZVOZSLWCMY-UHFFFAOYSA-N	0	0	323.223	2.478	10	5		DEBERN
Cc1nn(CN(C)C[C@@H]2CCCO2)c2cc([N+](=O)[O-])ccc12	ZINC000121203115	684106329	/nfs/dbraw/zinc/10/63/29/684106329.db2.gz	HDFWKBGYTGZVJI-ZDUSSCGKSA-N	0	0	304.350	2.321	10	5		DEBERN
CCC(=O)N1CC[C@H](C(=O)O[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1	ZINC000123181605	684122886	/nfs/dbraw/zinc/12/28/86/684122886.db2.gz	CLPRKGJGGTYKBE-AAEUAGOBSA-N	0	0	320.345	2.458	10	5		DEBERN
COC[C@@H](C)CNc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-]	ZINC000140431850	684252877	/nfs/dbraw/zinc/25/28/77/684252877.db2.gz	OVFZZDRPBFJUGT-ZRQQLDRUSA-N	0	0	308.334	2.475	10	5		DEBERN
CCCOCCOC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1	ZINC000155224595	684268386	/nfs/dbraw/zinc/26/83/86/684268386.db2.gz	ZOXCNZQMSOPAFI-UHFFFAOYSA-N	0	0	319.317	2.364	10	5		DEBERN
C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1CN1C(=O)CC(C)(C)C1=O	ZINC000195402016	685096939	/nfs/dbraw/zinc/09/69/39/685096939.db2.gz	DITSKGDBYBMJEN-JTQLQIEISA-N	0	0	317.345	2.088	10	5		DEBERN
CC(=O)NC[C@@H](C)OC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1	ZINC000588447971	777209851	/nfs/dbraw/zinc/20/98/51/777209851.db2.gz	OOZBCNWOWOBVDS-HIJJYWJESA-N	0	0	306.318	2.066	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC1(CCO)CC1	ZINC000588531956	777359042	/nfs/dbraw/zinc/35/90/42/777359042.db2.gz	IEOPMMNADVWMME-BENRWUELSA-N	0	0	304.346	2.277	10	5		DEBERN
CS[C@@H](CO)[C@@H](C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000228244719	796666227	/nfs/dbraw/zinc/66/62/27/796666227.db2.gz	CFDCWPYOMCTCGA-XCBNKYQSSA-N	0	0	318.782	2.090	10	5		DEBERN
C[C@H]1COC[C@H](C)N1C(=O)CCCNc1ccc([N+](=O)[O-])cc1	ZINC000077138687	185112271	/nfs/dbraw/zinc/11/22/71/185112271.db2.gz	CYKHBKHZGBVPNI-STQMWFEESA-N	0	0	321.377	2.423	10	5		DEBERN
CSc1cccc(C(=O)N2CCC(=O)[C@@H](C)C2)c1[N+](=O)[O-]	ZINC000193940638	295679902	/nfs/dbraw/zinc/67/99/02/295679902.db2.gz	BDAUHQXWUZROLD-VIFPVBQESA-N	0	0	308.359	2.368	10	5		DEBERN
CC(C)(Nc1cc(Br)ccc1[N+](=O)[O-])C(N)=O	ZINC000087834273	185232954	/nfs/dbraw/zinc/23/29/54/185232954.db2.gz	KVYXBPWZHKDFTH-UHFFFAOYSA-N	0	0	302.128	2.033	10	5		DEBERN
COC(=O)C[C@@H](C)Sc1c([N+](=O)[O-])c(C(C)C)nn1C	ZINC000090100316	185281976	/nfs/dbraw/zinc/28/19/76/185281976.db2.gz	YYOXUDQAUNRAFB-MRVPVSSYSA-N	0	0	301.368	2.495	10	5		DEBERN
COC(=O)c1ccc([N+](=O)[O-])c(Sc2nccc(C)n2)n1	ZINC000166892311	197700694	/nfs/dbraw/zinc/70/06/94/197700694.db2.gz	UTLRNYSJLONTAQ-UHFFFAOYSA-N	0	0	306.303	2.026	10	5		DEBERN
Cc1noc([C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])n1	ZINC000090679383	185309198	/nfs/dbraw/zinc/30/91/98/185309198.db2.gz	XJWGQZBLPKCQON-LBPRGKRZSA-N	0	0	302.290	2.264	10	5		DEBERN
C[C@@H](CCNc1ncnc2ccc([N+](=O)[O-])cc21)[S@@](C)=O	ZINC000167233948	197705598	/nfs/dbraw/zinc/70/55/98/197705598.db2.gz	KPAGZFVWYBOKJO-FPVGNUTFSA-N	0	0	308.363	2.107	10	5		DEBERN
CCN(CC(F)F)S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C	ZINC000186449038	282276792	/nfs/dbraw/zinc/27/67/92/282276792.db2.gz	OTTOYZNJSJYKFV-UHFFFAOYSA-N	0	0	322.333	2.487	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@@H](OC)C1	ZINC000187908278	282294362	/nfs/dbraw/zinc/29/43/62/282294362.db2.gz	WUUHHVUGSWSFBG-YGRLFVJLSA-N	0	0	308.334	2.100	10	5		DEBERN
Cc1nc(C)c(CCNC(=O)c2cc([N+](=O)[O-])cnc2C)s1	ZINC000108316284	185506436	/nfs/dbraw/zinc/50/64/36/185506436.db2.gz	YWZJQGZCKFKLLM-UHFFFAOYSA-N	0	0	320.374	2.344	10	5		DEBERN
O=C1C(=O)N(CCc2ccsc2)c2ccc([N+](=O)[O-])cc21	ZINC000070241405	190875447	/nfs/dbraw/zinc/87/54/47/190875447.db2.gz	KMULELQHZZIXJV-UHFFFAOYSA-N	0	0	302.311	2.428	10	5		DEBERN
CN(C1CCCCC1)S(=O)(=O)c1cccc(N)c1[N+](=O)[O-]	ZINC000126888500	185901022	/nfs/dbraw/zinc/90/10/22/185901022.db2.gz	MYNFJJHRRDXSSQ-UHFFFAOYSA-N	0	0	313.379	2.130	10	5		DEBERN
Cc1ccc(C(=O)N2CC3(C2)COC(C)(C)OC3)cc1[N+](=O)[O-]	ZINC000070971638	190926935	/nfs/dbraw/zinc/92/69/35/190926935.db2.gz	IIVASBLQCONVMK-UHFFFAOYSA-N	0	0	320.345	2.128	10	5		DEBERN
O=[N+]([O-])c1cc(Br)cnc1NCCc1ncc[nH]1	ZINC000139948583	186024899	/nfs/dbraw/zinc/02/48/99/186024899.db2.gz	FZBUNJFYAVFJBM-UHFFFAOYSA-N	0	0	312.127	2.130	10	5		DEBERN
Cc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1OCc1ccccc1	ZINC000159689909	186135913	/nfs/dbraw/zinc/13/59/13/186135913.db2.gz	TYNQNRVYHYBMIS-UHFFFAOYSA-N	0	0	322.342	2.130	10	5		DEBERN
CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000164381407	186157929	/nfs/dbraw/zinc/15/79/29/186157929.db2.gz	HMZHEFXNFJGEIU-LBPRGKRZSA-N	0	0	309.366	2.007	10	5		DEBERN
CCC1(CC)CN(C(=O)c2ccccc2[N+](=O)[O-])CC[S@]1=O	ZINC000183865398	186224921	/nfs/dbraw/zinc/22/49/21/186224921.db2.gz	WAXLFYOZTVCMIK-JOCHJYFZSA-N	0	0	324.402	2.358	10	5		DEBERN
C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1csc([N+](=O)[O-])c1	ZINC000175744408	198504652	/nfs/dbraw/zinc/50/46/52/198504652.db2.gz	FQDQFJUDHPSPSX-QMMMGPOBSA-N	0	0	314.363	2.459	10	5		DEBERN
CC(=O)c1ccc(N(C)CC(=O)NC(C)(C)C)c([N+](=O)[O-])c1	ZINC000007365467	354002458	/nfs/dbraw/zinc/00/24/58/354002458.db2.gz	SOEYBLAGXRGYEA-UHFFFAOYSA-N	0	0	307.350	2.148	10	5		DEBERN
C[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])[C@H]1CCCO1	ZINC000055280408	354491222	/nfs/dbraw/zinc/49/12/22/354491222.db2.gz	KHPPCLSQPCACBI-WCQYABFASA-N	0	0	308.334	2.047	10	5		DEBERN
C[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1	ZINC000055280405	354491533	/nfs/dbraw/zinc/49/15/33/354491533.db2.gz	KHPPCLSQPCACBI-AAEUAGOBSA-N	0	0	308.334	2.047	10	5		DEBERN
C[C@H]1COC[C@H](C)N1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1	ZINC000077138229	355183991	/nfs/dbraw/zinc/18/39/91/355183991.db2.gz	NGMVQSCLACETSB-UWVGGRQHSA-N	0	0	303.318	2.326	10	5		DEBERN
Cc1cnc(N2CCC[C@H](C(=O)N3CCCC3)C2)c([N+](=O)[O-])c1	ZINC000078662532	355273394	/nfs/dbraw/zinc/27/33/94/355273394.db2.gz	CJTVCRUCEWXDIH-ZDUSSCGKSA-N	0	0	318.377	2.137	10	5		DEBERN
CNC(=O)c1ccc(N2C[C@H]3CC=CC[C@@H]3C2)c([N+](=O)[O-])c1	ZINC000078371192	355257080	/nfs/dbraw/zinc/25/70/80/355257080.db2.gz	NENGBFFSFUDVSH-CHWSQXEVSA-N	0	0	301.346	2.357	10	5		DEBERN
Cc1c(NC(=O)[C@H](C)N(C)C[C@@H]2CCCO2)cccc1[N+](=O)[O-]	ZINC000076299108	191614812	/nfs/dbraw/zinc/61/48/12/191614812.db2.gz	UWVGOBWWYZQXNR-STQMWFEESA-N	0	0	321.377	2.341	10	5		DEBERN
O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1CCCC[C@H]1O	ZINC000077157530	191665070	/nfs/dbraw/zinc/66/50/70/191665070.db2.gz	GJRBGBAZIPBURU-TZMCWYRMSA-N	0	0	322.361	2.031	10	5		DEBERN
CC[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1)c1nnc(C)[nH]1	ZINC000092664676	355644959	/nfs/dbraw/zinc/64/49/59/355644959.db2.gz	RWVNIMLRJJCWDV-NSHDSACASA-N	0	0	319.321	2.371	10	5		DEBERN
O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nncn3C3CC3)C2)nc1	ZINC000092826011	355652035	/nfs/dbraw/zinc/65/20/35/355652035.db2.gz	QOXCREVPNCXREL-LLVKDONJSA-N	0	0	314.349	2.300	10	5		DEBERN
COc1cc(C(N)=O)c([N+](=O)[O-])cc1OCc1ccccc1	ZINC000113229775	355758370	/nfs/dbraw/zinc/75/83/70/355758370.db2.gz	UCDVVZZVBFQPJN-UHFFFAOYSA-N	0	0	302.286	2.281	10	5		DEBERN
CCOC(=O)CNc1cccc(Br)c1[N+](=O)[O-]	ZINC000169285499	355978670	/nfs/dbraw/zinc/97/86/70/355978670.db2.gz	PUNLQSYVPIBEKZ-UHFFFAOYSA-N	0	0	303.112	2.332	10	5		DEBERN
CO[C@@H](C)c1cccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c1	ZINC000170728040	355992552	/nfs/dbraw/zinc/99/25/52/355992552.db2.gz	APJFRPGCXDZURE-JTQLQIEISA-N	0	0	304.306	2.137	10	5		DEBERN
CC(C)(NC(=O)N[C@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1	ZINC000080120730	192003039	/nfs/dbraw/zinc/00/30/39/192003039.db2.gz	KGSZFMQYLXLCDE-LBPRGKRZSA-N	0	0	307.350	2.308	10	5		DEBERN
CNc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](C)C(C)C)c1	ZINC000081112842	192228499	/nfs/dbraw/zinc/22/84/99/192228499.db2.gz	GWDMQZHEPTXNFB-SNVBAGLBSA-N	0	0	315.395	2.207	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000005763345	181281535	/nfs/dbraw/zinc/28/15/35/181281535.db2.gz	ASKYTQIXIOPGOO-CJNGLKHVSA-N	0	0	304.346	2.362	10	5		DEBERN
Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000081587848	192297833	/nfs/dbraw/zinc/29/78/33/192297833.db2.gz	WCGFWJMUBSLDNZ-ZDUSSCGKSA-N	0	0	315.333	2.068	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(Cn2cncn2)no1	ZINC000350764067	356565452	/nfs/dbraw/zinc/56/54/52/356565452.db2.gz	QNUXSUFMQVXTAD-POHAHGRESA-N	0	0	312.289	2.178	10	5		DEBERN
Cc1nn(C)c(C)c1NC(=O)c1ccnc(Cl)c1[N+](=O)[O-]	ZINC000085684650	192520447	/nfs/dbraw/zinc/52/04/47/192520447.db2.gz	MTILMXXXXDQJKF-UHFFFAOYSA-N	0	0	309.713	2.246	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(Cc2cc(F)cc3c2OCOC3)c1=O	ZINC000178227950	198835251	/nfs/dbraw/zinc/83/52/51/198835251.db2.gz	FAEFPCXTSVLPAJ-UHFFFAOYSA-N	0	0	320.276	2.119	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC12CCC2	ZINC000441520151	283266004	/nfs/dbraw/zinc/26/60/04/283266004.db2.gz	FKEKGMUQQAHRDD-UHFFFAOYSA-N	0	0	317.345	2.305	10	5		DEBERN
O=C(N[C@@H]1CCCOC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1	ZINC000179455084	199037848	/nfs/dbraw/zinc/03/78/48/199037848.db2.gz	PPIVIWFPPFSYHA-CYBMUJFWSA-N	0	0	319.361	2.448	10	5		DEBERN
CCn1nc(C)cc1Cn1cc(Br)c([N+](=O)[O-])n1	ZINC000089202794	192740873	/nfs/dbraw/zinc/74/08/73/192740873.db2.gz	PRUFABDTIXKVEN-UHFFFAOYSA-N	0	0	314.143	2.127	10	5		DEBERN
O=C(NC[C@@H]1CCC[C@H]1CO)c1cc([N+](=O)[O-])ccc1Cl	ZINC000089488457	192801612	/nfs/dbraw/zinc/80/16/12/192801612.db2.gz	VROOGWQFOMONRQ-UWVGGRQHSA-N	0	0	312.753	2.387	10	5		DEBERN
CCOC(=O)CC[C@@H](C)NC(=O)c1csc([N+](=O)[O-])c1	ZINC000089801608	192873057	/nfs/dbraw/zinc/87/30/57/192873057.db2.gz	PFQDVDGGAHNFKI-MRVPVSSYSA-N	0	0	300.336	2.118	10	5		DEBERN
O=[N+]([O-])c1ccccc1/C=C/CN1CCO[C@]2(CCOC2)C1	ZINC000187549961	200126306	/nfs/dbraw/zinc/12/63/06/200126306.db2.gz	MZDRORUKKLAPDE-LLCTXKFZSA-N	0	0	304.346	2.099	10	5		DEBERN
CCc1[nH]nc(C(=O)Nc2ccnn2[C@@H](C)C2CC2)c1[N+](=O)[O-]	ZINC000188375518	200236219	/nfs/dbraw/zinc/23/62/19/200236219.db2.gz	ROLJELQGTUDOQT-QMMMGPOBSA-N	0	0	318.337	2.300	10	5		DEBERN
COC(=O)c1cnc(NCCCc2ccccn2)c([N+](=O)[O-])c1	ZINC000189362344	200387670	/nfs/dbraw/zinc/38/76/70/200387670.db2.gz	YSPOROHKJMHKGW-UHFFFAOYSA-N	0	0	316.317	2.216	10	5		DEBERN
CC(=O)c1ccc2c(c1)CN(Cc1cn(C)nc1[N+](=O)[O-])C2	ZINC000602839897	360583537	/nfs/dbraw/zinc/58/35/37/360583537.db2.gz	KVMKPHLSZTVDPZ-UHFFFAOYSA-N	0	0	300.318	2.047	10	5		DEBERN
O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCN2CCCC[C@H]2C1	ZINC000193622456	201089793	/nfs/dbraw/zinc/08/97/93/201089793.db2.gz	INULLEMDWGVNCB-LBPRGKRZSA-N	0	0	307.325	2.044	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(NCCC(=O)N2CCCCC2)n1	ZINC000611615811	361645719	/nfs/dbraw/zinc/64/57/19/361645719.db2.gz	GKNOZTIOEPIDOS-UHFFFAOYSA-N	0	0	306.366	2.421	10	5		DEBERN
CCc1ccc(NC(=O)c2csc(CN)n2)cc1[N+](=O)[O-]	ZINC000090930699	192953399	/nfs/dbraw/zinc/95/33/99/192953399.db2.gz	OBBYFLVKSLXJLA-UHFFFAOYSA-N	0	0	306.347	2.325	10	5		DEBERN
COCCCOCCN(C)c1cc(OC)c(F)cc1[N+](=O)[O-]	ZINC000091023914	192972264	/nfs/dbraw/zinc/97/22/64/192972264.db2.gz	LNQOISICKDEYDM-UHFFFAOYSA-N	0	0	316.329	2.232	10	5		DEBERN
CN1CCO[C@@H](CNc2cc(F)c(Cl)cc2[N+](=O)[O-])C1	ZINC000091673910	193088889	/nfs/dbraw/zinc/08/88/89/193088889.db2.gz	SPNDZVYRHPIIJI-QMMMGPOBSA-N	0	0	303.721	2.130	10	5		DEBERN
O=C(CCCO)Nc1ccc([N+](=O)[O-])cc1Br	ZINC000092153240	193168930	/nfs/dbraw/zinc/16/89/30/193168930.db2.gz	DVLOSHPSZMEPHA-UHFFFAOYSA-N	0	0	303.112	2.068	10	5		DEBERN
COc1cc(CN2CCC([C@H](C)O)CC2)c([N+](=O)[O-])cc1OC	ZINC000092969999	193190745	/nfs/dbraw/zinc/19/07/45/193190745.db2.gz	PEWXBECNHRGNAN-NSHDSACASA-N	0	0	324.377	2.205	10	5		DEBERN
CN[C@]1(C(=O)OC)CC[C@@H](Sc2ccc([N+](=O)[O-])cc2)C1	ZINC000093848695	193317748	/nfs/dbraw/zinc/31/77/48/193317748.db2.gz	BSBINFLGJYIWSV-TZMCWYRMSA-N	0	0	310.375	2.371	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccnn1C	ZINC000093940348	193330422	/nfs/dbraw/zinc/33/04/22/193330422.db2.gz	DOVCLJSPTJZFLP-UHFFFAOYSA-N	0	0	302.334	2.184	10	5		DEBERN
O=[N+]([O-])c1nn([C@H]2CCOC3(CCOCC3)C2)cc1Cl	ZINC000094409245	193367639	/nfs/dbraw/zinc/36/76/39/193367639.db2.gz	YNWBRTIHVTURPQ-VIFPVBQESA-N	0	0	301.730	2.345	10	5		DEBERN
CS(=O)(=O)CCNc1cc(Cl)c(Cl)cc1[N+](=O)[O-]	ZINC000095024425	193413868	/nfs/dbraw/zinc/41/38/68/193413868.db2.gz	MKLMUKXQKAXISM-UHFFFAOYSA-N	0	0	313.162	2.358	10	5		DEBERN
Cc1cc(N)c([N+](=O)[O-])cc1S(=O)(=O)NCCCC(C)C	ZINC000094780658	193398172	/nfs/dbraw/zinc/39/81/72/193398172.db2.gz	HCQJXLVBDXVDGU-UHFFFAOYSA-N	0	0	315.395	2.200	10	5		DEBERN
CCCCN1C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1=O	ZINC000021450938	182274488	/nfs/dbraw/zinc/27/44/88/182274488.db2.gz	FFDHVIQMWYPHEO-GFCCVEGCSA-N	0	0	319.361	2.490	10	5		DEBERN
COC(=O)[C@H](C)NCc1ccc(Br)c([N+](=O)[O-])c1	ZINC000037303080	182880360	/nfs/dbraw/zinc/88/03/60/182880360.db2.gz	CIOVFLOXLYBIBB-ZETCQYMHSA-N	0	0	317.139	2.008	10	5		DEBERN
Cc1cc(C(=O)NC(=S)N2CCCCC2)ccc1[N+](=O)[O-]	ZINC000039841790	183022169	/nfs/dbraw/zinc/02/21/69/183022169.db2.gz	QMBAMZSXFHPZAW-UHFFFAOYSA-N	0	0	307.375	2.404	10	5		DEBERN
O=[N+]([O-])c1c(Cl)ncnc1NCc1ccc2c(c1)OCO2	ZINC000040571127	183103992	/nfs/dbraw/zinc/10/39/92/183103992.db2.gz	MKNRVLJOTPAHHY-UHFFFAOYSA-N	0	0	308.681	2.379	10	5		DEBERN
CCCCNc1ncnc(-n2nnc3ccccc32)c1[N+](=O)[O-]	ZINC000040595534	183106476	/nfs/dbraw/zinc/10/64/76/183106476.db2.gz	HLGMGCXBBSPGND-UHFFFAOYSA-N	0	0	313.321	2.331	10	5		DEBERN
COC[C@H](O)CN(C)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000042525634	183280297	/nfs/dbraw/zinc/28/02/97/183280297.db2.gz	WEHLNENEFYQDOQ-SECBINFHSA-N	0	0	308.256	2.057	10	5		DEBERN
Cc1nn(Cc2ccc(Br)cc2)c(N)c1[N+](=O)[O-]	ZINC000043670182	183378466	/nfs/dbraw/zinc/37/84/66/183378466.db2.gz	PWDYKYMCSRGSHZ-UHFFFAOYSA-N	0	0	311.139	2.493	10	5		DEBERN
COC[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC(C)(C)O1	ZINC000284860405	218209714	/nfs/dbraw/zinc/20/97/14/218209714.db2.gz	FFUFKJQHHJVYAC-SNVBAGLBSA-N	0	0	315.757	2.273	10	5		DEBERN
C[C@H](Nc1[nH]cnc(=NN)c1[N+](=O)[O-])c1ccc(Cl)cc1	ZINC000159508922	197358833	/nfs/dbraw/zinc/35/88/33/197358833.db2.gz	JGHZWNHVHSJGME-ZETCQYMHSA-N	0	0	308.729	2.497	10	5		DEBERN
CC(C)(C)[C@@H](O)CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000268599751	206826038	/nfs/dbraw/zinc/82/60/38/206826038.db2.gz	HISACYRIPPXLQD-NSHDSACASA-N	0	0	300.742	2.385	10	5		DEBERN
C[C@@]([NH3+])(CCOc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000050440682	183786714	/nfs/dbraw/zinc/78/67/14/183786714.db2.gz	ZXMIGOFNONJTAR-LLVKDONJSA-N	0	0	323.132	2.473	10	5		DEBERN
CC[C@H](C)[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC	ZINC000050671128	183797418	/nfs/dbraw/zinc/79/74/18/183797418.db2.gz	UPFRNMXULPQRJT-UWVGGRQHSA-N	0	0	315.395	2.349	10	5		DEBERN
Nc1c(Cl)cc(C(=O)NCc2cccnc2)cc1[N+](=O)[O-]	ZINC000050693277	183800454	/nfs/dbraw/zinc/80/04/54/183800454.db2.gz	NAGBWHQDCOFZPE-UHFFFAOYSA-N	0	0	306.709	2.155	10	5		DEBERN
CC(C)[C@@H](C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21	ZINC000109983261	194302777	/nfs/dbraw/zinc/30/27/77/194302777.db2.gz	MJPLXOSRLZUJGL-SECBINFHSA-N	0	0	303.318	2.211	10	5		DEBERN
COC(=O)c1cc([N+](=O)[O-])c(N[C@@H](C)[C@@H](C)CO)cc1Cl	ZINC000268856983	207023522	/nfs/dbraw/zinc/02/35/22/207023522.db2.gz	ZOBOPANEGNXJCX-YUMQZZPRSA-N	0	0	316.741	2.464	10	5		DEBERN
O=C(Nc1ncc[nH]1)c1cc([N+](=O)[O-])ccc1Br	ZINC000110536684	194338150	/nfs/dbraw/zinc/33/81/50/194338150.db2.gz	NUOPTCYTEKCYJQ-UHFFFAOYSA-N	0	0	311.095	2.333	10	5		DEBERN
O=Cc1cnn(Cc2ccc([N+](=O)[O-])cc2Br)c1	ZINC000054716180	183949160	/nfs/dbraw/zinc/94/91/60/183949160.db2.gz	XFHQWICWHOGWLH-UHFFFAOYSA-N	0	0	310.107	2.415	10	5		DEBERN
Cc1cnc(CNc2ncc(Br)cc2[N+](=O)[O-])cn1	ZINC000061321704	184168371	/nfs/dbraw/zinc/16/83/71/184168371.db2.gz	RXHVOPICUCMBIK-UHFFFAOYSA-N	0	0	324.138	2.463	10	5		DEBERN
C[C@@H](CC(N)=O)Nc1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000158204970	197253371	/nfs/dbraw/zinc/25/33/71/197253371.db2.gz	NCZRSLQBRKWIKT-YFKPBYRVSA-N	0	0	320.118	2.172	10	5		DEBERN
CC[NH2+][C@H](CCOc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000062539654	184241386	/nfs/dbraw/zinc/24/13/86/184241386.db2.gz	BSZSFYOIFFPZGY-SNVBAGLBSA-N	0	0	302.714	2.080	10	5		DEBERN
CNc1cc(C(=O)NCCc2nccs2)ccc1[N+](=O)[O-]	ZINC000063141468	184273407	/nfs/dbraw/zinc/27/34/07/184273407.db2.gz	XGNOWTPTXOXVAJ-UHFFFAOYSA-N	0	0	306.347	2.066	10	5		DEBERN
C[NH2+][C@@](C)(CCOc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-]	ZINC000069508010	184520632	/nfs/dbraw/zinc/52/06/32/184520632.db2.gz	XKPUEIBJZDIBPH-LBPRGKRZSA-N	0	0	302.714	2.080	10	5		DEBERN
C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCO1	ZINC000117601140	194836019	/nfs/dbraw/zinc/83/60/19/194836019.db2.gz	VYLCSELFFWUKKC-RNCFNFMXSA-N	0	0	312.753	2.474	10	5		DEBERN
COc1cc(NCCC2(C)OCCO2)c([N+](=O)[O-])cc1F	ZINC000302152856	533028936	/nfs/dbraw/zinc/02/89/36/533028936.db2.gz	LEYLIQSRZABJIW-UHFFFAOYSA-N	0	0	300.286	2.308	10	5		DEBERN
CC(C)C(=O)N1CCC[C@H]1C(=O)N(C)c1cccc([N+](=O)[O-])c1	ZINC000158104137	197243885	/nfs/dbraw/zinc/24/38/85/197243885.db2.gz	IOVIGARCZNHJPW-AWEZNQCLSA-N	0	0	319.361	2.205	10	5		DEBERN
CNc1cccc(C(=O)NCc2csc(C)n2)c1[N+](=O)[O-]	ZINC000156973592	197154006	/nfs/dbraw/zinc/15/40/06/197154006.db2.gz	MFFXGFKYHDLGNS-UHFFFAOYSA-N	0	0	306.347	2.331	10	5		DEBERN
O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H](O)CC1	ZINC000294980047	224355461	/nfs/dbraw/zinc/35/54/61/224355461.db2.gz	UDEQGWAOHWDEBW-LLVKDONJSA-N	0	0	303.318	2.063	10	5		DEBERN
CCOC(=O)[C@@H](N)CCSCCc1ccc([N+](=O)[O-])cc1	ZINC000069601903	184823325	/nfs/dbraw/zinc/82/33/25/184823325.db2.gz	IKSGBOOXJDQAHZ-ZDUSSCGKSA-N	0	0	312.391	2.151	10	5		DEBERN
O=C(c1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]2CC[C@H](O)[C@@H]2C1	ZINC000123404717	195578119	/nfs/dbraw/zinc/57/81/19/195578119.db2.gz	MGGRDNXJJJKLNO-KDDOJWQBSA-N	0	0	310.737	2.091	10	5		DEBERN
C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCS(=O)(=O)[C@H](C)C1	ZINC000347381894	132756924	/nfs/dbraw/zinc/75/69/24/132756924.db2.gz	XAYDAZQIFUHGGL-YQCJOKCJSA-N	0	0	324.402	2.117	10	5		DEBERN
O=C(NC1(C(F)(F)F)CCOCC1)c1cccc([N+](=O)[O-])c1	ZINC000359881362	133150425	/nfs/dbraw/zinc/15/04/25/133150425.db2.gz	OPFZAOPTMQTRMC-UHFFFAOYSA-N	0	0	318.251	2.436	10	5		DEBERN
CC(=O)c1cc(N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)ccc1[N+](=O)[O-]	ZINC000376453393	133294932	/nfs/dbraw/zinc/29/49/32/133294932.db2.gz	GBCCIUPPKUJYPD-BCQZVRRWSA-N	0	0	317.345	2.219	10	5		DEBERN
O=[N+]([O-])c1cc(Cl)c(N2CCO[C@@H](CO)C2)c(Cl)c1	ZINC000126531740	296498548	/nfs/dbraw/zinc/49/85/48/296498548.db2.gz	QEXITHJGXHKVKW-MRVPVSSYSA-N	0	0	307.133	2.099	10	5		DEBERN
CCc1cc(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)ccc1C	ZINC000183194252	144926141	/nfs/dbraw/zinc/92/61/41/144926141.db2.gz	RUUPJEVRNADICU-UHFFFAOYSA-N	0	0	315.329	2.266	10	5		DEBERN
O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)NC1(CO)CC1	ZINC000184612196	144946564	/nfs/dbraw/zinc/94/65/64/144946564.db2.gz	VNKJQSBTECTNHS-UHFFFAOYSA-N	0	0	319.239	2.260	10	5		DEBERN
COc1ccc(OCc2nnc(C)n2C2CC2)cc1[N+](=O)[O-]	ZINC000190197693	145038449	/nfs/dbraw/zinc/03/84/49/145038449.db2.gz	MWPSQMDEFWQIMY-UHFFFAOYSA-N	0	0	304.306	2.417	10	5		DEBERN
CC1(C)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F	ZINC000190748672	145047735	/nfs/dbraw/zinc/04/77/35/145047735.db2.gz	DPQCJLOJABDSHK-QMMMGPOBSA-N	0	0	320.271	2.369	10	5		DEBERN
Cc1oc2ccc(NC(=O)Cn3cnc([N+](=O)[O-])n3)cc2c1C	ZINC000358712222	147188142	/nfs/dbraw/zinc/18/81/42/147188142.db2.gz	HZAMLFORDGCDCB-UHFFFAOYSA-N	0	0	315.289	2.188	10	5		DEBERN
CO[C@H]1CC[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2C)C1	ZINC000359311220	147304720	/nfs/dbraw/zinc/30/47/20/147304720.db2.gz	SYETVBKPPDLWMB-STQMWFEESA-N	0	0	307.350	2.270	10	5		DEBERN
CCCC[C@H](C)N(CCCC)C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000359423131	147324678	/nfs/dbraw/zinc/32/46/78/147324678.db2.gz	OIHPPFUDZHOXLR-LBPRGKRZSA-N	0	0	311.386	2.394	10	5		DEBERN
CN1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O	ZINC000361263397	147478208	/nfs/dbraw/zinc/47/82/08/147478208.db2.gz	TUQRYGQRSWVXNZ-UHFFFAOYSA-N	0	0	301.302	2.086	10	5		DEBERN
O=C(c1ccccc1[N+](=O)[O-])N1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000127567816	401740753	/nfs/dbraw/zinc/74/07/53/401740753.db2.gz	FWCPFHAZIQBXGR-MLGOLLRUSA-N	0	0	304.346	2.362	10	5		DEBERN
CCS(=O)(=O)C[C@H](C)Nc1ccc2ncccc2c1[N+](=O)[O-]	ZINC000113248719	401772090	/nfs/dbraw/zinc/77/20/90/401772090.db2.gz	LQMXLPJVAKAMCL-JTQLQIEISA-N	0	0	323.374	2.378	10	5		DEBERN
CSCCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000128843699	401794912	/nfs/dbraw/zinc/79/49/12/401794912.db2.gz	PGIGFNQZKAAOQG-UHFFFAOYSA-N	0	0	322.383	2.155	10	5		DEBERN
COc1cc(O)c2oc3cc(OC)c(OC)c(O)c3c(=O)c2c1	ZINC000014648866	401812657	/nfs/dbraw/zinc/81/26/57/401812657.db2.gz	SDGXLBRKMBXGEP-UHFFFAOYSA-N	0	0	318.281	2.383	10	5		DEBERN
C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)s1	ZINC000033193518	401889266	/nfs/dbraw/zinc/88/92/66/401889266.db2.gz	TUQNEYBCKSTYNC-SSDOTTSWSA-N	0	0	314.754	2.384	10	5		DEBERN
C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000081451102	401895971	/nfs/dbraw/zinc/89/59/71/401895971.db2.gz	IDFVLHZMMCDNRO-LLVKDONJSA-N	0	0	322.361	2.326	10	5		DEBERN
CSC[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000134614631	401908737	/nfs/dbraw/zinc/90/87/37/401908737.db2.gz	ROJXWDDCHRVYGW-QMMMGPOBSA-N	0	0	322.433	2.172	10	5		DEBERN
CC(C)c1ccccc1OC[C@H](O)Cn1cnc([N+](=O)[O-])c1	ZINC000046570279	401971467	/nfs/dbraw/zinc/97/14/67/401971467.db2.gz	RZIQODXLPWBBHV-GFCCVEGCSA-N	0	0	305.334	2.355	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NC2C3CC4CC(C3)CC2C4)n1	ZINC000138488695	401987206	/nfs/dbraw/zinc/98/72/06/401987206.db2.gz	JDWNKUGBNFOUCU-UHFFFAOYSA-N	0	0	318.377	2.366	10	5		DEBERN
O=[N+]([O-])c1cccc(CN(C[C@H](O)C(F)(F)F)C2CC2)c1	ZINC000121518346	402041613	/nfs/dbraw/zinc/04/16/13/402041613.db2.gz	HCHLMLAMMQCPEA-LBPRGKRZSA-N	0	0	304.268	2.482	10	5		DEBERN
C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCCO1	ZINC000152879599	402114406	/nfs/dbraw/zinc/11/44/06/402114406.db2.gz	JBFWCRLOXLYNJT-ZUZCIYMTSA-N	0	0	317.345	2.302	10	5		DEBERN
CSCCC(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1	ZINC000068104741	402184206	/nfs/dbraw/zinc/18/42/06/402184206.db2.gz	CTGOPUXVWFGPGJ-UHFFFAOYSA-N	0	0	306.347	2.472	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CCCn1ccnc1	ZINC000155169227	402247780	/nfs/dbraw/zinc/24/77/80/402247780.db2.gz	PTUOKXLLDZALIL-UHFFFAOYSA-N	0	0	302.334	2.262	10	5		DEBERN
CC[C@H](O)CN(CCn1ccc([N+](=O)[O-])n1)c1ccccc1	ZINC000176222557	402292205	/nfs/dbraw/zinc/29/22/05/402292205.db2.gz	OXVLXYNOCSWJFA-AWEZNQCLSA-N	0	0	304.350	2.069	10	5		DEBERN
CCc1ccc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)cc1F	ZINC000162138821	402411035	/nfs/dbraw/zinc/41/10/35/402411035.db2.gz	DKRSJLHWZFNLSO-UHFFFAOYSA-N	0	0	306.297	2.440	10	5		DEBERN
CC[C@H](NC(=O)CCn1cccn1)c1cccc([N+](=O)[O-])c1	ZINC000177802926	402437710	/nfs/dbraw/zinc/43/77/10/402437710.db2.gz	KEYOEMFAVURDIY-AWEZNQCLSA-N	0	0	302.334	2.449	10	5		DEBERN
Cc1ccc([C@H](C)NCc2cc(C(N)=O)co2)cc1[N+](=O)[O-]	ZINC000187726770	402510147	/nfs/dbraw/zinc/51/01/47/402510147.db2.gz	FEZBHMYIAXIZFP-JTQLQIEISA-N	0	0	303.318	2.446	10	5		DEBERN
COc1cc(C(=O)N(C)[C@H](CO)CC(C)C)ccc1[N+](=O)[O-]	ZINC000186661156	402452825	/nfs/dbraw/zinc/45/28/25/402452825.db2.gz	HESAMMKVNGUCFU-LBPRGKRZSA-N	0	0	310.350	2.082	10	5		DEBERN
CCOc1ccc(C(=O)N[C@H]2CCCC[C@H]2CO)cc1[N+](=O)[O-]	ZINC000179242367	402582863	/nfs/dbraw/zinc/58/28/63/402582863.db2.gz	BFQNOTQFINKXKV-STQMWFEESA-N	0	0	322.361	2.274	10	5		DEBERN
C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCS1	ZINC000171572797	402596210	/nfs/dbraw/zinc/59/62/10/402596210.db2.gz	LXVFUNDWGXRKJB-MRVPVSSYSA-N	0	0	311.319	2.081	10	5		DEBERN
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCOC1	ZINC000171694762	402611362	/nfs/dbraw/zinc/61/13/62/402611362.db2.gz	RWGJSYSVTJOJMW-MNOVXSKESA-N	0	0	310.375	2.371	10	5		DEBERN
Cc1ccccc1[C@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1N	ZINC000180494884	402618786	/nfs/dbraw/zinc/61/87/86/402618786.db2.gz	DFFJBSGWWMGGSG-JTQLQIEISA-N	0	0	300.318	2.371	10	5		DEBERN
CCc1[nH]nc(C(=O)N2CCc3cc(OC)ccc32)c1[N+](=O)[O-]	ZINC000171806212	402624116	/nfs/dbraw/zinc/62/41/16/402624116.db2.gz	DQXYCYLCFJVQGY-UHFFFAOYSA-N	0	0	316.317	2.092	10	5		DEBERN
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@]2(CC=CCC2)C1	ZINC000172234312	402646303	/nfs/dbraw/zinc/64/63/03/402646303.db2.gz	IHTVHEAFKAAAAL-OAHLLOKOSA-N	0	0	304.350	2.140	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCOCC(F)F	ZINC000191523456	402675718	/nfs/dbraw/zinc/67/57/18/402675718.db2.gz	COQMTCGXTVXPIU-NTMALXAHSA-N	0	0	314.288	2.396	10	5		DEBERN
CC(=O)c1cnc(NC(=O)Cc2cccc([N+](=O)[O-])c2)s1	ZINC000173057978	402684695	/nfs/dbraw/zinc/68/46/95/402684695.db2.gz	NLFLGXIKCVRWBQ-UHFFFAOYSA-N	0	0	305.315	2.435	10	5		DEBERN
Cc1ccc(/C=C\CC(=O)NCCn2cc([N+](=O)[O-])cn2)cc1	ZINC000255731986	402695290	/nfs/dbraw/zinc/69/52/90/402695290.db2.gz	BYDGTICEZVQLIA-IHWYPQMZSA-N	0	0	314.345	2.319	10	5		DEBERN
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC2CC2)c1	ZINC000182522829	402696740	/nfs/dbraw/zinc/69/67/40/402696740.db2.gz	XBHODQWUZFIVMJ-UHFFFAOYSA-N	0	0	304.755	2.245	10	5		DEBERN
NC(=O)c1cc([N+](=O)[O-])cnc1NCc1ccc(Cl)s1	ZINC000192569230	402737484	/nfs/dbraw/zinc/73/74/84/402737484.db2.gz	XKRIQWPKWOAHJB-UHFFFAOYSA-N	0	0	312.738	2.416	10	5		DEBERN
CC[C@H](NC(=O)N[C@@H](C)c1nc[nH]n1)c1cccc([N+](=O)[O-])c1	ZINC000183213761	402747545	/nfs/dbraw/zinc/74/75/45/402747545.db2.gz	YOYNIQOWRSKPEY-CABZTGNLSA-N	0	0	318.337	2.224	10	5		DEBERN
CC(C)c1nc([C@@H]2CCCN2CCn2cc([N+](=O)[O-])cn2)no1	ZINC000174838590	402759673	/nfs/dbraw/zinc/75/96/73/402759673.db2.gz	IISHOZLZUZDYBP-LBPRGKRZSA-N	0	0	320.353	2.135	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@H]([C@@H]2CCCO2)C1	ZINC000183391892	402762808	/nfs/dbraw/zinc/76/28/08/402762808.db2.gz	YFOVCBRHJJCBLT-HOTGVXAUSA-N	0	0	306.362	2.283	10	5		DEBERN
COCc1ccccc1CNC(=O)c1cc([N+](=O)[O-])cnc1C	ZINC000193291451	402769840	/nfs/dbraw/zinc/76/98/40/402769840.db2.gz	TUFMNPUDXKMDAZ-UHFFFAOYSA-N	0	0	315.329	2.375	10	5		DEBERN
CC[C@@H](NC(=O)NCCCC(=O)OC)c1cccc([N+](=O)[O-])c1	ZINC000175549529	402816921	/nfs/dbraw/zinc/81/69/21/402816921.db2.gz	GFVXOHQBCXOABO-CYBMUJFWSA-N	0	0	323.349	2.298	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCn2cncc2C1	ZINC000292178410	403313022	/nfs/dbraw/zinc/31/30/22/403313022.db2.gz	XYJKKOCPTMOZGA-XYOKQWHBSA-N	0	0	312.329	2.237	10	5		DEBERN
Cc1cc([N+](=O)[O-])cnc1N1CCN(CC2CCCC2)C(=O)C1	ZINC000301830626	403687722	/nfs/dbraw/zinc/68/77/22/403687722.db2.gz	SCJKIKZYZJVZJG-UHFFFAOYSA-N	0	0	318.377	2.137	10	5		DEBERN
COC(=O)c1cnc(NCCc2ncc(C)s2)c([N+](=O)[O-])c1	ZINC000302759786	403722201	/nfs/dbraw/zinc/72/22/01/403722201.db2.gz	JVGYGHFHRWIJQE-UHFFFAOYSA-N	0	0	322.346	2.196	10	5		DEBERN
C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC(=O)N(C)[C@@H](C)C1	ZINC000337550771	404093066	/nfs/dbraw/zinc/09/30/66/404093066.db2.gz	RPOUTPGMPWQLTR-WHGQRRHOSA-N	0	0	303.362	2.161	10	5		DEBERN
C[C@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC[S@]1=O	ZINC000291779158	404516135	/nfs/dbraw/zinc/51/61/35/404516135.db2.gz	CJMVANGAHWNMEV-KPWVOAKYSA-N	0	0	319.386	2.490	10	5		DEBERN
COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@H](C)[C@@H](C)OC	ZINC000450532659	405945355	/nfs/dbraw/zinc/94/53/55/405945355.db2.gz	QNAGRTNGVGMPHG-NXEZZACHSA-N	0	0	305.334	2.409	10	5		DEBERN
COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@@H](C)[C@@H](C)OC	ZINC000450476652	405919790	/nfs/dbraw/zinc/91/97/90/405919790.db2.gz	QNAGRTNGVGMPHG-VHSXEESVSA-N	0	0	305.334	2.409	10	5		DEBERN
O=[N+]([O-])c1cnc2ccc(N3CCC[C@H]3c3ccccn3)nn21	ZINC000535046774	406207594	/nfs/dbraw/zinc/20/75/94/406207594.db2.gz	MVKMXBFYPYEDPO-LBPRGKRZSA-N	0	0	310.317	2.374	10	5		DEBERN
O=C(N[C@H]1CCCC(F)(F)C1)c1cc([N+](=O)[O-])c[nH]c1=O	ZINC000488956777	406363845	/nfs/dbraw/zinc/36/38/45/406363845.db2.gz	ROFGZLXUKXRNBV-ZETCQYMHSA-N	0	0	301.249	2.003	10	5		DEBERN
CCOC(=O)Cc1cc(OC)cc([N+](=O)[O-])c1Br	ZINC000575699037	406819664	/nfs/dbraw/zinc/81/96/64/406819664.db2.gz	AUGFXSNUIPDYEM-UHFFFAOYSA-N	0	0	318.123	2.472	10	5		DEBERN
NC(=O)c1c(Br)c(Br)ccc1[N+](=O)[O-]	ZINC000575695898	406819952	/nfs/dbraw/zinc/81/99/52/406819952.db2.gz	ZLFQFZIVKOBWSB-UHFFFAOYSA-N	0	0	323.928	2.219	10	5		DEBERN
CCOC(=O)Cc1cc([N+](=O)[O-])cc(Br)c1OC	ZINC000575700618	406820538	/nfs/dbraw/zinc/82/05/38/406820538.db2.gz	WGSGVCXBHFMICK-UHFFFAOYSA-N	0	0	318.123	2.472	10	5		DEBERN
COc1cc(I)cc(C=O)c1[N+](=O)[O-]	ZINC000575727669	406825098	/nfs/dbraw/zinc/82/50/98/406825098.db2.gz	IFLSNNUKEDUBDT-UHFFFAOYSA-N	0	0	307.043	2.021	10	5		DEBERN
COc1ccc(I)c(C=O)c1[N+](=O)[O-]	ZINC000575727772	406825325	/nfs/dbraw/zinc/82/53/25/406825325.db2.gz	KPEZEDYXDNGRBC-UHFFFAOYSA-N	0	0	307.043	2.021	10	5		DEBERN
COc1cc(C=O)c([N+](=O)[O-])cc1I	ZINC000575728806	406826247	/nfs/dbraw/zinc/82/62/47/406826247.db2.gz	VYJLAKVKSCVOLY-UHFFFAOYSA-N	0	0	307.043	2.021	10	5		DEBERN
CCNc1cc(S(=O)(=O)NC(C)(C)CC)ccc1[N+](=O)[O-]	ZINC000131696357	196191992	/nfs/dbraw/zinc/19/19/92/196191992.db2.gz	XFYUOYLYEVBUEY-UHFFFAOYSA-N	0	0	315.395	2.494	10	5		DEBERN
CCCNc1cc(S(=O)(=O)NC(C)C)ccc1[N+](=O)[O-]	ZINC000131711059	196192978	/nfs/dbraw/zinc/19/29/78/196192978.db2.gz	VUZTXUNTJPXYCQ-UHFFFAOYSA-N	0	0	301.368	2.103	10	5		DEBERN
CCNc1cc(S(=O)(=O)NC(CC)CC)ccc1[N+](=O)[O-]	ZINC000131730603	196194591	/nfs/dbraw/zinc/19/45/91/196194591.db2.gz	LYAMSPDQJNCUGJ-UHFFFAOYSA-N	0	0	315.395	2.494	10	5		DEBERN
CCOc1ccc(N[C@H](C)CS(=O)(=O)CC)c([N+](=O)[O-])c1	ZINC000132243539	196239314	/nfs/dbraw/zinc/23/93/14/196239314.db2.gz	XTAGSEOKOSEVBT-SNVBAGLBSA-N	0	0	316.379	2.229	10	5		DEBERN
CCS(=O)(=O)C[C@H](C)Nc1ccc([N+](=O)[O-])c(Cl)c1	ZINC000132302296	196243661	/nfs/dbraw/zinc/24/36/61/196243661.db2.gz	MPHSHCOVAQSRDB-QMMMGPOBSA-N	0	0	306.771	2.483	10	5		DEBERN
C[C@@H](CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[S@](C)=O	ZINC000132930356	196297456	/nfs/dbraw/zinc/29/74/56/196297456.db2.gz	SLDNHZCDKSYZPO-FFVOIRBGSA-N	0	0	318.782	2.135	10	5		DEBERN
COC(=O)[C@@H]1CCCN(c2cc(F)cc(F)c2[N+](=O)[O-])C1	ZINC000133945416	196347683	/nfs/dbraw/zinc/34/76/83/196347683.db2.gz	UAKIIUQUWXBJOI-MRVPVSSYSA-N	0	0	300.261	2.262	10	5		DEBERN
C[C@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)[C@@H]1CCCO1	ZINC000134037719	196355503	/nfs/dbraw/zinc/35/55/03/196355503.db2.gz	OHRGKIOGXGZDMJ-MADCSZMMSA-N	0	0	300.261	2.170	10	5		DEBERN
O=[N+]([O-])c1cnc2ccc(NCCC[C@@H]3CCCC[C@H]3O)nn21	ZINC000301953636	230001759	/nfs/dbraw/zinc/00/17/59/230001759.db2.gz	JYUKQISOVFOCKL-NWDGAFQWSA-N	0	0	319.365	2.381	10	5		DEBERN
Cc1cc(N[C@H]2CCS(=O)(=O)C2)c2cccc([N+](=O)[O-])c2n1	ZINC000302015877	230037830	/nfs/dbraw/zinc/03/78/30/230037830.db2.gz	LTKWFYYSMWVISX-JTQLQIEISA-N	0	0	321.358	2.050	10	5		DEBERN
Cc1nccc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)n1	ZINC000195497407	424883286	/nfs/dbraw/zinc/88/32/86/424883286.db2.gz	RAVWTLILTYOBRL-UHFFFAOYSA-N	0	0	311.301	2.105	10	5		DEBERN
COC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1	ZINC000194760054	268557853	/nfs/dbraw/zinc/55/78/53/268557853.db2.gz	FRHAMDNICJLMMX-UHFFFAOYSA-N	0	0	315.285	2.337	10	5		DEBERN
CCOC1CC2(C1)CCN(c1ccc3ncc([N+](=O)[O-])n3n1)C2	ZINC000376175688	276312139	/nfs/dbraw/zinc/31/21/39/276312139.db2.gz	YUVGCSZSAAUCNA-UHFFFAOYSA-N	0	0	317.349	2.033	10	5		DEBERN
C[C@@H](NC(=O)N1CCOCC[C@H]1C)c1cccc([N+](=O)[O-])c1	ZINC000378431668	278323583	/nfs/dbraw/zinc/32/35/83/278323583.db2.gz	OHQIRLAEKACAIN-VXGBXAGGSA-N	0	0	307.350	2.476	10	5		DEBERN
Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000081578900	279134703	/nfs/dbraw/zinc/13/47/03/279134703.db2.gz	WNLQRRYAWGOKBH-LBPRGKRZSA-N	0	0	315.333	2.068	10	5		DEBERN
CC(C)NC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCC[C@H]12	ZINC000035894302	279598653	/nfs/dbraw/zinc/59/86/53/279598653.db2.gz	MUNZHHTXINBJSZ-UKRRQHHQSA-N	0	0	303.362	2.261	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])o1)N1CCC=C(Br)C1	ZINC000282295016	280192044	/nfs/dbraw/zinc/19/20/44/280192044.db2.gz	QWHQVCURMVDBFD-UHFFFAOYSA-N	0	0	301.096	2.313	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1c1cn[nH]c1	ZINC000113896722	293607422	/nfs/dbraw/zinc/60/74/22/293607422.db2.gz	RDIKAQKALGNXRA-CQSZACIVSA-N	0	0	315.333	2.389	10	5		DEBERN
O=C(NCC1CC1)[C@H]1CCCN(c2cc(F)ccc2[N+](=O)[O-])C1	ZINC000302787669	303761649	/nfs/dbraw/zinc/76/16/49/303761649.db2.gz	BIYKRKIACSDORK-LBPRGKRZSA-N	0	0	321.352	2.477	10	5		DEBERN
O=[N+]([O-])c1ccc(OC[C@H]2CCN(CC(F)(F)F)C2)nc1	ZINC000584648525	337380403	/nfs/dbraw/zinc/38/04/03/337380403.db2.gz	JXJCLTDQQJDIMH-VIFPVBQESA-N	0	0	305.256	2.253	10	5		DEBERN
C[C@@H](CNc1cc(CO)ccc1[N+](=O)[O-])CC1(C)OCCO1	ZINC000302041162	534089041	/nfs/dbraw/zinc/08/90/41/534089041.db2.gz	NRXANTHTUKOXCL-LLVKDONJSA-N	0	0	310.350	2.288	10	5		DEBERN
COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCC[C@H]2CCO)c1	ZINC000302461484	534247030	/nfs/dbraw/zinc/24/70/30/534247030.db2.gz	RNOMKKRGYBEZBA-CMPLNLGQSA-N	0	0	308.334	2.344	10	5		DEBERN
COC(=O)c1cc(C)nc(N2CC[C@H](C3CC3)C2)c1[N+](=O)[O-]	ZINC000367433700	521826548	/nfs/dbraw/zinc/82/65/48/521826548.db2.gz	ABYNPZKHGYAACW-NSHDSACASA-N	0	0	305.334	2.321	10	5		DEBERN
CCc1nc(CNC(=O)CNc2ccccc2[N+](=O)[O-])cs1	ZINC000107617308	522327294	/nfs/dbraw/zinc/32/72/94/522327294.db2.gz	ZJLFNFRHNQJBLY-UHFFFAOYSA-N	0	0	320.374	2.342	10	5		DEBERN
COc1ccc(CNC(=O)CNc2cccc([N+](=O)[O-])c2)cc1	ZINC000008211249	524052481	/nfs/dbraw/zinc/05/24/81/524052481.db2.gz	GDAHANRCVBEWRR-UHFFFAOYSA-N	0	0	315.329	2.332	10	5		DEBERN
Cc1ccc([C@@H](C)NC(=O)CCc2ccnn2C)cc1[N+](=O)[O-]	ZINC000128404984	525692932	/nfs/dbraw/zinc/69/29/32/525692932.db2.gz	KWDZFIOHBBXSRI-GFCCVEGCSA-N	0	0	316.361	2.447	10	5		DEBERN
CCOc1ccc(C(=O)N2CC[C@H](OC)[C@H](C)C2)cc1[N+](=O)[O-]	ZINC000456133274	535701839	/nfs/dbraw/zinc/70/18/39/535701839.db2.gz	FOVSWJJQJINYNW-RISCZKNCSA-N	0	0	322.361	2.491	10	5		DEBERN
CO[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[C@H]1C	ZINC000251869114	536729979	/nfs/dbraw/zinc/72/99/79/536729979.db2.gz	OVILPBUUFKJOEM-IAQYHMDHSA-N	0	0	322.361	2.318	10	5		DEBERN
Cc1cnc(OCc2cnn(-c3ccccc3)n2)c([N+](=O)[O-])c1	ZINC000178283513	625493491	/nfs/dbraw/zinc/49/34/91/625493491.db2.gz	HCKIUJMKYVIGTR-UHFFFAOYSA-N	0	0	311.301	2.458	10	5		DEBERN
Cc1nn(CN2CC[C@H](C(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-]	ZINC000176166708	624669384	/nfs/dbraw/zinc/66/93/84/624669384.db2.gz	VWTIDQXCJMAIRS-LBPRGKRZSA-N	0	0	324.381	2.029	10	5		DEBERN
O=[N+]([O-])c1ncccc1OS(=O)(=O)/C=C\c1ccccc1	ZINC000255899136	625189646	/nfs/dbraw/zinc/18/96/46/625189646.db2.gz	ONPQUNLDEZMXOP-NTMALXAHSA-N	0	0	306.299	2.369	10	5		DEBERN
C[C@H]1CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ncc1Br	ZINC000310936599	625204022	/nfs/dbraw/zinc/20/40/22/625204022.db2.gz	MWCWXYFAGDITEL-RCOVLWMOSA-N	0	0	314.139	2.281	10	5		DEBERN
O=C(COc1cccc([N+](=O)[O-])c1)OCCc1cccnc1	ZINC000073300577	633005304	/nfs/dbraw/zinc/00/53/04/633005304.db2.gz	WLBRIFHIACXCOC-UHFFFAOYSA-N	0	0	302.286	2.155	10	5		DEBERN
Cc1cc(C(=O)NC[C@H](C)c2ccncc2)c(N)c([N+](=O)[O-])c1	ZINC000749471499	638653521	/nfs/dbraw/zinc/65/35/21/638653521.db2.gz	GUQJUGHBHGYJEN-NSHDSACASA-N	0	0	314.345	2.414	10	5		DEBERN
NC(=O)c1ccc(COC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1	ZINC000750911581	639043064	/nfs/dbraw/zinc/04/30/64/639043064.db2.gz	PGFOYEYOFONIME-IMRBUKKESA-N	0	0	318.329	2.173	10	5		DEBERN
C/C(=C\C(=O)O[C@H](C)C(=O)NC1CC1)c1ccc([N+](=O)[O-])cc1	ZINC000752343789	639173734	/nfs/dbraw/zinc/17/37/34/639173734.db2.gz	ABPCXIVQFUKULB-PBQZMEPESA-N	0	0	318.329	2.208	10	5		DEBERN
C/C(=C\C(=O)OCc1nnc(C)o1)c1ccc([N+](=O)[O-])cc1	ZINC000752352702	639174549	/nfs/dbraw/zinc/17/45/49/639174549.db2.gz	UXSVAXPKBKTTLN-VQHVLOKHSA-N	0	0	303.274	2.433	10	5		DEBERN
C/C(=C/C(=O)O[C@H](C)C(=O)N(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000752352015	639174605	/nfs/dbraw/zinc/17/46/05/639174605.db2.gz	SYQPBEZSEJVYBX-DWOQACPDSA-N	0	0	306.318	2.018	10	5		DEBERN
C/C(=C\C(=O)OCC(=O)NCC(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000752353146	639174685	/nfs/dbraw/zinc/17/46/85/639174685.db2.gz	WOMHKKCTJJRIGZ-XYOKQWHBSA-N	0	0	320.345	2.314	10	5		DEBERN
C/C(=C\C(=O)N[C@@](C)(CO)C1CC1)c1ccc([N+](=O)[O-])cc1	ZINC000752578612	639200197	/nfs/dbraw/zinc/20/01/97/639200197.db2.gz	CRUYDZRYDVIHPW-SOGBHIHOSA-N	0	0	304.346	2.275	10	5		DEBERN
COC(=O)/C(C)=C/COC(=O)c1c(F)ccc([N+](=O)[O-])c1F	ZINC000752564952	640032730	/nfs/dbraw/zinc/03/27/30/640032730.db2.gz	IMVUHDCWERDSCP-FNORWQNLSA-N	0	0	315.228	2.149	10	5		DEBERN
Cc1c(Br)c(N[C@@H](C)[C@@H](C)O)ncc1[N+](=O)[O-]	ZINC000343797326	640628745	/nfs/dbraw/zinc/62/87/45/640628745.db2.gz	UFEJBOLMAJMDJP-NKWVEPMBSA-N	0	0	304.144	2.242	10	5		DEBERN
Cc1cc(C(=O)O[C@@H](C(=O)N(C)C)C(C)C)ccc1[N+](=O)[O-]	ZINC000729696563	640827376	/nfs/dbraw/zinc/82/73/76/640827376.db2.gz	PCAGADUWEIVWKF-CYBMUJFWSA-N	0	0	308.334	2.173	10	5		DEBERN
COC(=O)c1ccoc1C(=O)OCc1ccc([N+](=O)[O-])cc1	ZINC000800266947	645248541	/nfs/dbraw/zinc/24/85/41/645248541.db2.gz	OOFJYRGBCMTTLW-UHFFFAOYSA-N	0	0	305.242	2.331	10	5		DEBERN
COC(=O)c1ccoc1C(=O)OCc1cc(F)ccc1[N+](=O)[O-]	ZINC000800266565	645248624	/nfs/dbraw/zinc/24/86/24/645248624.db2.gz	RNGQBHBGVDNQMD-UHFFFAOYSA-N	0	0	323.232	2.471	10	5		DEBERN
Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCCCC1CC1	ZINC000800607224	645291561	/nfs/dbraw/zinc/29/15/61/645291561.db2.gz	PGWXRAPQNIYDQY-UHFFFAOYSA-N	0	0	323.324	2.287	10	5		DEBERN
C/C(=C/C(=O)OC[C@]1(C)CNC(=O)C1)c1ccc([N+](=O)[O-])cc1	ZINC000802191543	645495033	/nfs/dbraw/zinc/49/50/33/645495033.db2.gz	INPXFMOBWOJBNM-UBAGTECSSA-N	0	0	318.329	2.068	10	5		DEBERN
COC(=O)c1cc(C)nc(Oc2cccnc2F)c1[N+](=O)[O-]	ZINC000804540252	645788232	/nfs/dbraw/zinc/78/82/32/645788232.db2.gz	UNQOIBDLWUEJDF-UHFFFAOYSA-N	0	0	307.237	2.411	10	5		DEBERN
C[C@@H](OC[C@H]1CCCO1)C(=O)OCCc1ccccc1[N+](=O)[O-]	ZINC000151258135	646322174	/nfs/dbraw/zinc/32/21/74/646322174.db2.gz	LOJFDARKUVPITC-TZMCWYRMSA-N	0	0	323.345	2.265	10	5		DEBERN
COC(=O)C[C@@H](C)C(=O)Oc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000151351564	646345849	/nfs/dbraw/zinc/34/58/49/646345849.db2.gz	DCGKNEMAYSTZRG-SSDOTTSWSA-N	0	0	301.682	2.353	10	5		DEBERN
CCCOCCOC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	ZINC000170961035	646679077	/nfs/dbraw/zinc/67/90/77/646679077.db2.gz	LFRNQKGZZFJUFU-UHFFFAOYSA-N	0	0	319.317	2.364	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc([C@@H](C)O)cc1	ZINC000171134666	646687366	/nfs/dbraw/zinc/68/73/66/646687366.db2.gz	CVECMMKQXNDIRZ-LLVKDONJSA-N	0	0	315.329	2.282	10	5		DEBERN
O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)C1=COCCC1	ZINC000730849290	647419549	/nfs/dbraw/zinc/41/95/49/647419549.db2.gz	BBVVMOWJKVLIEK-UHFFFAOYSA-N	0	0	321.285	2.199	10	5		DEBERN
O=Cc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1	ZINC000064240328	648035035	/nfs/dbraw/zinc/03/50/35/648035035.db2.gz	GKTIPIQHWFCVOK-UHFFFAOYSA-N	0	0	313.312	2.237	10	5		DEBERN
O=[N+]([O-])c1ccnn1CN1CCC(Oc2ccc(F)cc2)CC1	ZINC000115513402	652169065	/nfs/dbraw/zinc/16/90/65/652169065.db2.gz	OGOOXMGNLGOKDW-UHFFFAOYSA-N	0	0	320.324	2.431	10	5		DEBERN
Cc1cc(C(=O)OCCN2CCSCC2)cc([N+](=O)[O-])c1	ZINC000127288358	684162097	/nfs/dbraw/zinc/16/20/97/684162097.db2.gz	KLAYZBNSVHEWGO-UHFFFAOYSA-N	0	0	310.375	2.109	10	5		DEBERN
CSCCCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000128069734	684168080	/nfs/dbraw/zinc/16/80/80/684168080.db2.gz	AUNLFRAKTHWISF-UHFFFAOYSA-N	0	0	323.418	2.387	10	5		DEBERN
COc1cccc(CNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])n1	ZINC000128629052	684172145	/nfs/dbraw/zinc/17/21/45/684172145.db2.gz	ATTXDKSVGPGNMO-UHFFFAOYSA-N	0	0	319.292	2.376	10	5		DEBERN
CCN(CC)C(=O)CCC(=O)Oc1ccc(C)c([N+](=O)[O-])c1	ZINC000131954354	684204490	/nfs/dbraw/zinc/20/44/90/684204490.db2.gz	LYNOGVOAIVSFAL-UHFFFAOYSA-N	0	0	308.334	2.457	10	5		DEBERN
C[C@@H](OC[C@H]1CCCO1)C(=O)OCc1csc([N+](=O)[O-])c1	ZINC000253386798	685196694	/nfs/dbraw/zinc/19/66/94/685196694.db2.gz	YBEIWYDHYBKSGT-MWLCHTKSSA-N	0	0	315.347	2.284	10	5		DEBERN
Nc1ccc(N2CCS[C@H](C(F)(F)F)C2)nc1[N+](=O)[O-]	ZINC000721438510	776851346	/nfs/dbraw/zinc/85/13/46/776851346.db2.gz	KXHAZZJXMOQTEJ-ZETCQYMHSA-N	0	0	308.285	2.056	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](O)[C@H](C)C1	ZINC000588530646	777357850	/nfs/dbraw/zinc/35/78/50/777357850.db2.gz	NIBKKGPEESBPCZ-TZIQTHSXSA-N	0	0	304.346	2.227	10	5		DEBERN
Cc1cn(C[C@@](C)(O)C(F)(F)C(F)(F)F)nc1[N+](=O)[O-]	ZINC000724038197	787346582	/nfs/dbraw/zinc/34/65/82/787346582.db2.gz	XYQIKPRQBVKFOW-SSDOTTSWSA-N	0	0	303.187	2.048	10	5		DEBERN
CC[C@@H](C[C@@H](C)O)Nc1c(Br)cncc1[N+](=O)[O-]	ZINC000716940549	797644695	/nfs/dbraw/zinc/64/46/95/797644695.db2.gz	QYFMHOIGJBZMJN-SFYZADRCSA-N	0	0	318.171	2.136	10	5		DEBERN
CN1CCO[C@H](CSCc2ccc([N+](=O)[O-])c(F)c2)C1	ZINC000400811364	801803220	/nfs/dbraw/zinc/80/32/20/801803220.db2.gz	XOGPGBOHZFOTHY-NSHDSACASA-N	0	0	300.355	2.298	10	5		DEBERN
Cc1nc2ccccn2c1CNC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000075300895	1080237962	/nfs/dbraw/zinc/23/79/62/1080237962.db2.gz	XZNQOPHAVVLLFT-UHFFFAOYSA-N	0	0	310.313	2.481	10	5		DEBERN
CC(C)(C)OC(=O)N1C[C@@H](NCc2ccc([N+](=O)[O-])cc2)CO1	ZINC000703312868	1086493719	/nfs/dbraw/zinc/49/37/19/1086493719.db2.gz	UQJBRODPLXFWMF-GFCCVEGCSA-N	0	0	323.349	2.235	10	5		DEBERN
COCCC1(CNC(=O)c2cc([N+](=O)[O-])cnc2C)CCC1	ZINC000151453263	282117161	/nfs/dbraw/zinc/11/71/61/282117161.db2.gz	JGOMWPKZCJVPHV-UHFFFAOYSA-N	0	0	307.350	2.235	10	5		DEBERN
COC(=O)[C@@H](C)CSc1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000078837431	185118489	/nfs/dbraw/zinc/11/84/89/185118489.db2.gz	ZBWDWGYSIFZWJX-QMMMGPOBSA-N	0	0	313.331	2.267	10	5		DEBERN
C[C@@H](O)COc1c([C@@H](C)O)cc(Br)cc1[N+](=O)[O-]	ZINC000165236691	197673013	/nfs/dbraw/zinc/67/30/13/197673013.db2.gz	PSPVVXMKBZYETD-RNFRBKRXSA-N	0	0	320.139	2.170	10	5		DEBERN
CC[C@@H](Oc1ccc(Br)cc1[N+](=O)[O-])C(N)=O	ZINC000088086766	185239308	/nfs/dbraw/zinc/23/93/08/185239308.db2.gz	PRDJDVHFIQSAFT-MRVPVSSYSA-N	0	0	303.112	2.000	10	5		DEBERN
O=[N+]([O-])c1ccc(Br)cc1N1CCC[C@H]1CO	ZINC000087835065	185232844	/nfs/dbraw/zinc/23/28/44/185232844.db2.gz	KBJOSFSSRWFLRO-VIFPVBQESA-N	0	0	301.140	2.318	10	5		DEBERN
O=C1CC[C@@H](Nc2cc(Br)ccc2[N+](=O)[O-])CN1	ZINC000087834584	185232953	/nfs/dbraw/zinc/23/29/53/185232953.db2.gz	LZAAYKJCSCFHAC-MRVPVSSYSA-N	0	0	314.139	2.048	10	5		DEBERN
CC[C@H](NC(=O)[C@H]1CCN(C)C(=O)C1)c1cccc([N+](=O)[O-])c1	ZINC000177807219	282208280	/nfs/dbraw/zinc/20/82/80/282208280.db2.gz	NDLOROHVSLBOGR-JSGCOSHPSA-N	0	0	319.361	2.031	10	5		DEBERN
COC(=O)[C@H](C)C[S@](=O)Cc1c(Cl)cccc1[N+](=O)[O-]	ZINC000090105472	185282382	/nfs/dbraw/zinc/28/23/82/185282382.db2.gz	BZKVXRJMDYLCTE-ZPWHCFADSA-N	0	0	319.766	2.306	10	5		DEBERN
CCCCN1CCOC[C@H]1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1	ZINC000184165534	282246105	/nfs/dbraw/zinc/24/61/05/282246105.db2.gz	WJPMMPLJJNSYBD-HNNXBMFYSA-N	0	0	321.377	2.343	10	5		DEBERN
CCN(CC(F)F)S(=O)(=O)CCc1ccccc1[N+](=O)[O-]	ZINC000186452192	282276819	/nfs/dbraw/zinc/27/68/19/282276819.db2.gz	OVQXEDQIEZMEEL-UHFFFAOYSA-N	0	0	322.333	2.054	10	5		DEBERN
O=[N+]([O-])c1cccc2ncnc(N3CCO[C@@H](C4CC4)C3)c21	ZINC000614410104	362374541	/nfs/dbraw/zinc/37/45/41/362374541.db2.gz	XSXFXDUQCFNBSW-CYBMUJFWSA-N	0	0	300.318	2.153	10	5		DEBERN
CCCNc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)C(C)C)c1	ZINC000050639758	190680564	/nfs/dbraw/zinc/68/05/64/190680564.db2.gz	CBSHJWGGCHHASJ-UHFFFAOYSA-N	0	0	315.395	2.446	10	5		DEBERN
COc1nc(Cl)nc(Oc2ccc(F)cc2[N+](=O)[O-])n1	ZINC000061514323	190694242	/nfs/dbraw/zinc/69/42/42/190694242.db2.gz	MEGYVAGXOCFSLD-UHFFFAOYSA-N	0	0	300.633	2.373	10	5		DEBERN
CCC1(CC)CN(c2nccc(C)c2[N+](=O)[O-])CC[S@]1=O	ZINC000302221023	282380119	/nfs/dbraw/zinc/38/01/19/282380119.db2.gz	NGJPFQNOVKLRFT-NRFANRHFSA-N	0	0	311.407	2.426	10	5		DEBERN
CC1(C)CCCN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-]	ZINC000068358489	190763137	/nfs/dbraw/zinc/76/31/37/190763137.db2.gz	ILQJMHXDPBKCQR-UHFFFAOYSA-N	0	0	306.318	2.187	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC1=CCCOC1	ZINC000286937445	219233522	/nfs/dbraw/zinc/23/35/22/219233522.db2.gz	VQYXFMQOHIUQCF-FMIVXFBMSA-N	0	0	302.330	2.461	10	5		DEBERN
NC(=O)c1ccc(Sc2ccc(CO)cc2)c([N+](=O)[O-])c1	ZINC000130292171	185953371	/nfs/dbraw/zinc/95/33/71/185953371.db2.gz	YPAHJNXNYCNUHU-UHFFFAOYSA-N	0	0	304.327	2.337	10	5		DEBERN
CC[C@@](C)(CO)Nc1ncc(Br)cc1[N+](=O)[O-]	ZINC000083876388	192387385	/nfs/dbraw/zinc/38/73/85/192387385.db2.gz	GPULJWZJKXXNRJ-JTQLQIEISA-N	0	0	304.144	2.325	10	5		DEBERN
COCCCNC(=O)[C@H](C)Oc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000133615831	186000063	/nfs/dbraw/zinc/00/00/63/186000063.db2.gz	NDKFXCMFMYZVCQ-VIFPVBQESA-N	0	0	316.741	2.168	10	5		DEBERN
O=C(N[C@@H]1CCCOC1)c1cc([N+](=O)[O-])ccc1N1CCCC1	ZINC000170936428	197855241	/nfs/dbraw/zinc/85/52/41/197855241.db2.gz	UWIBJJJBLPCFSX-GFCCVEGCSA-N	0	0	319.361	2.104	10	5		DEBERN
CC(C)CCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1N	ZINC000147866380	186041739	/nfs/dbraw/zinc/04/17/39/186041739.db2.gz	XYJRCDMJMQOKQF-UHFFFAOYSA-N	0	0	315.395	2.282	10	5		DEBERN
CNc1cc(C)c(S(=O)(=O)N(C)C2CCC2)cc1[N+](=O)[O-]	ZINC000144245783	186034943	/nfs/dbraw/zinc/03/49/43/186034943.db2.gz	IXHSQPPLAVGZST-UHFFFAOYSA-N	0	0	313.379	2.118	10	5		DEBERN
CC(C)(C)ONS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000148832688	186046237	/nfs/dbraw/zinc/04/62/37/186046237.db2.gz	LLPRDWIFROGCGX-UHFFFAOYSA-N	0	0	308.743	2.257	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(CC(=O)N(C)C2CCC(C)CC2)c1=O	ZINC000155886002	186120731	/nfs/dbraw/zinc/12/07/31/186120731.db2.gz	JPJDRIHPARRTOR-UHFFFAOYSA-N	0	0	321.377	2.102	10	5		DEBERN
COCOc1c([C@@H](C)O)cc(Br)cc1[N+](=O)[O-]	ZINC000159634330	186131949	/nfs/dbraw/zinc/13/19/49/186131949.db2.gz	XVXLGTIYQUVPOG-ZCFIWIBFSA-N	0	0	306.112	2.393	10	5		DEBERN
O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cc(F)ccc1[N+](=O)[O-]	ZINC000246127500	295826892	/nfs/dbraw/zinc/82/68/92/295826892.db2.gz	OSOGOAKRYUVJGF-ZLKJLUDKSA-N	0	0	320.320	2.421	10	5		DEBERN
Cc1ccnc(N[C@@H]2CCCN(c3ncccn3)C2)c1[N+](=O)[O-]	ZINC000172277685	198070038	/nfs/dbraw/zinc/07/00/38/198070038.db2.gz	KJDSHXFCWJUYLK-GFCCVEGCSA-N	0	0	314.349	2.169	10	5		DEBERN
O=[N+]([O-])c1cc(OCc2ccccc2)ccc1C(CO)CO	ZINC000036432727	354165339	/nfs/dbraw/zinc/16/53/39/354165339.db2.gz	ZSPBKAKOJTYMTP-UHFFFAOYSA-N	0	0	303.314	2.242	10	5		DEBERN
CNS(=O)(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1	ZINC000114240211	355761545	/nfs/dbraw/zinc/76/15/45/355761545.db2.gz	YTHROKZPQLJDRW-UHFFFAOYSA-N	0	0	308.315	2.295	10	5		DEBERN
CO[C@@H](C)c1cccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c1	ZINC000170730384	355992081	/nfs/dbraw/zinc/99/20/81/355992081.db2.gz	NZBKAJLDCHYSEZ-JTQLQIEISA-N	0	0	304.306	2.137	10	5		DEBERN
O=C(c1ccccc1)c1ccc(N2CC(CO)C2)c([N+](=O)[O-])c1	ZINC000182943930	356153238	/nfs/dbraw/zinc/15/32/38/356153238.db2.gz	BODLWWCMUOZYSE-UHFFFAOYSA-N	0	0	312.325	2.254	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1OCc1nnc(C2CC2)n1C	ZINC000194653697	356242815	/nfs/dbraw/zinc/24/28/15/356242815.db2.gz	CODPOKVPCLDZST-UHFFFAOYSA-N	0	0	304.306	2.188	10	5		DEBERN
C[C@H]1C[C@@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000171071004	291096927	/nfs/dbraw/zinc/09/69/27/291096927.db2.gz	APJINFFMCAHQCB-AAEUAGOBSA-N	0	0	303.362	2.336	10	5		DEBERN
C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccccc1[N+](=O)[O-]	ZINC000081450331	192269345	/nfs/dbraw/zinc/26/93/45/192269345.db2.gz	MEHUQJGDQHVORJ-SNVBAGLBSA-N	0	0	308.334	2.397	10	5		DEBERN
CC(=O)CCC(C)(C)c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1	ZINC000350947599	356591952	/nfs/dbraw/zinc/59/19/52/356591952.db2.gz	FWHNVOMZBVJSMH-UHFFFAOYSA-N	0	0	321.337	2.334	10	5		DEBERN
O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@H]1c1ccccc1F	ZINC000584907018	357332236	/nfs/dbraw/zinc/33/22/36/357332236.db2.gz	LKNIQCKXWOPPKA-KNVGNIICSA-N	0	0	322.317	2.480	10	5		DEBERN
COC[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC)c2)CC(C)(C)O1	ZINC000585780720	357353952	/nfs/dbraw/zinc/35/39/52/357353952.db2.gz	IVBWKOPKAJDPKU-LBPRGKRZSA-N	0	0	310.350	2.234	10	5		DEBERN
COC(=O)c1ccc(OCc2ccnc(C)n2)cc1[N+](=O)[O-]	ZINC000619460421	540271961	/nfs/dbraw/zinc/27/19/61/540271961.db2.gz	USTJSSLDLNNGLD-UHFFFAOYSA-N	0	0	303.274	2.059	10	5		DEBERN
CO[C@](C)(CO)CNc1c(Br)cccc1[N+](=O)[O-]	ZINC000596291589	358661417	/nfs/dbraw/zinc/66/14/17/358661417.db2.gz	KKWHNBLYGRVQNY-NSHDSACASA-N	0	0	319.155	2.167	10	5		DEBERN
C[C@H]1C[C@H](CCNC(=O)Cn2cnc([N+](=O)[O-])n2)CC(C)(C)C1	ZINC000436228937	237724985	/nfs/dbraw/zinc/72/49/85/237724985.db2.gz	RIXKWLCYDSRSLN-RYUDHWBXSA-N	0	0	323.397	2.155	10	5		DEBERN
CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2csc([N+](=O)[O-])c2)C1	ZINC000189330071	200382841	/nfs/dbraw/zinc/38/28/41/200382841.db2.gz	HAXCNEUORURRRW-WDEREUQCSA-N	0	0	324.362	2.310	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C)[C@H](OC)C1	ZINC000189832497	200458608	/nfs/dbraw/zinc/45/86/08/200458608.db2.gz	DFBPQYKPKGSVQO-QMTHXVAHSA-N	0	0	323.349	2.492	10	5		DEBERN
CC[C@H](NC(=O)CSCC(C)=O)c1cccc([N+](=O)[O-])c1	ZINC000192680824	200922293	/nfs/dbraw/zinc/92/22/93/200922293.db2.gz	GGISASUNBSCDQU-ZDUSSCGKSA-N	0	0	310.375	2.484	10	5		DEBERN
Cc1nn(C)c(N2CCc3ccc(F)c(F)c3C2)c1[N+](=O)[O-]	ZINC000610856236	361479027	/nfs/dbraw/zinc/47/90/27/361479027.db2.gz	FTCRVLNBBGPHCP-UHFFFAOYSA-N	0	0	308.288	2.478	10	5		DEBERN
O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CCC(F)(F)C2)c1	ZINC000611034049	361517215	/nfs/dbraw/zinc/51/72/15/361517215.db2.gz	LQODEJFJBPRLLN-JTQLQIEISA-N	0	0	320.317	2.202	10	5		DEBERN
O=[N+]([O-])c1cnc2ccc(N3CCOc4ccccc4C3)nn21	ZINC000611239763	361558327	/nfs/dbraw/zinc/55/83/27/361558327.db2.gz	KPHOZTFESMTOOE-UHFFFAOYSA-N	0	0	311.301	2.037	10	5		DEBERN
CCC(=O)c1ccc(N[C@@H]2CCN(CC)C2=O)c([N+](=O)[O-])c1	ZINC000619794799	363878041	/nfs/dbraw/zinc/87/80/41/363878041.db2.gz	YLPJJHDBWGTXJW-GFCCVEGCSA-N	0	0	305.334	2.220	10	5		DEBERN
O=[N+]([O-])c1c(Cl)n(-c2ncnc3[nH]cnc32)nc1C(F)F	ZINC000091585846	193075292	/nfs/dbraw/zinc/07/52/92/193075292.db2.gz	LYEMVUPVQKWQCD-UHFFFAOYSA-N	0	0	315.627	2.038	10	5		DEBERN
CSc1ccc(C(=O)N(C)CC2CC(O)C2)cc1[N+](=O)[O-]	ZINC000091498859	193065090	/nfs/dbraw/zinc/06/50/90/193065090.db2.gz	ZMWUYRRXTOXLST-UHFFFAOYSA-N	0	0	310.375	2.160	10	5		DEBERN
COC(=O)Cc1ccc(N[C@@H]2CC[C@@H](OC)C2)c([N+](=O)[O-])c1	ZINC000450474186	241878989	/nfs/dbraw/zinc/87/89/89/241878989.db2.gz	JOKUEOTXFZFPQN-VXGBXAGGSA-N	0	0	308.334	2.290	10	5		DEBERN
C[C@H](Nc1ccc([N+](=O)[O-])nc1)C(=O)NCCc1ccccc1	ZINC000450820200	242268113	/nfs/dbraw/zinc/26/81/13/242268113.db2.gz	IDVYEQCEPODILR-LBPRGKRZSA-N	0	0	314.345	2.149	10	5		DEBERN
COC(=O)c1cc(C)nc(N[C@@H](C)[C@H](OC)C2CC2)c1[N+](=O)[O-]	ZINC000450864273	242318798	/nfs/dbraw/zinc/31/87/98/242318798.db2.gz	UVWHNWYVVIIOSX-ZANVPECISA-N	0	0	323.349	2.310	10	5		DEBERN
O=C(CCCCO)Nc1ccc([N+](=O)[O-])cc1Br	ZINC000092172455	193170852	/nfs/dbraw/zinc/17/08/52/193170852.db2.gz	OHSGOSNYLGBXGC-UHFFFAOYSA-N	0	0	317.139	2.458	10	5		DEBERN
[NH3+][C@@]1(C(=O)[O-])CCC[C@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)C1	ZINC000093775063	193304821	/nfs/dbraw/zinc/30/48/21/193304821.db2.gz	NQNNQZVZUSMSEC-ZANVPECISA-N	0	0	314.725	2.352	10	5		DEBERN
Cc1ccc(NS(=O)(=O)N2CCC[C@H](C)C2)cc1[N+](=O)[O-]	ZINC000093906492	193327637	/nfs/dbraw/zinc/32/76/37/193327637.db2.gz	ZVZPSIMFMXDPOS-JTQLQIEISA-N	0	0	313.379	2.292	10	5		DEBERN
CC1(C)CCC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N	ZINC000094332306	193359337	/nfs/dbraw/zinc/35/93/37/193359337.db2.gz	GTKNXLRKKQILMR-GFCCVEGCSA-N	0	0	313.379	2.034	10	5		DEBERN
C[C@](N)(c1nc(-c2ccccc2[N+](=O)[O-])no1)C(F)(F)F	ZINC000094223445	193350684	/nfs/dbraw/zinc/35/06/84/193350684.db2.gz	QSGNNSUDVHJNIR-JTQLQIEISA-N	0	0	302.212	2.381	10	5		DEBERN
CNc1cc(C)c(S(=O)(=O)NCC2CCC2)cc1[N+](=O)[O-]	ZINC000094780517	193397716	/nfs/dbraw/zinc/39/77/16/193397716.db2.gz	XMUSDLTXLUALJD-UHFFFAOYSA-N	0	0	313.379	2.023	10	5		DEBERN
CO[C@@]1(CNc2ccc3scnc3c2[N+](=O)[O-])CCOC1	ZINC000160653116	197429223	/nfs/dbraw/zinc/42/92/23/197429223.db2.gz	WICPWPADFSMGOO-CYBMUJFWSA-N	0	0	309.347	2.422	10	5		DEBERN
C[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)c1ccc(Cl)cc1	ZINC000160302891	197398951	/nfs/dbraw/zinc/39/89/51/197398951.db2.gz	KZHLZJYXZLMCPB-MRVPVSSYSA-N	0	0	308.725	2.473	10	5		DEBERN
O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC12CCC2	ZINC000530930552	284486292	/nfs/dbraw/zinc/48/62/92/284486292.db2.gz	GVRFCHUMGLXBDA-UHFFFAOYSA-N	0	0	304.302	2.135	10	5		DEBERN
Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H](CC(=O)OC(C)(C)C)C1	ZINC000531601018	284584535	/nfs/dbraw/zinc/58/45/35/284584535.db2.gz	HIVADPNCHVYGPT-NSHDSACASA-N	0	0	324.381	2.277	10	5		DEBERN
CO[C@H]1CC[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1	ZINC000471672262	248706944	/nfs/dbraw/zinc/70/69/44/248706944.db2.gz	UGQSYRKBDZONJA-OCCSQVGLSA-N	0	0	317.345	2.233	10	5		DEBERN
COc1ccc(Nc2ncnc(N(C)C)c2[N+](=O)[O-])c(OC)c1	ZINC000040608355	183108610	/nfs/dbraw/zinc/10/86/10/183108610.db2.gz	SBMVAMZBHSFLEW-UHFFFAOYSA-N	0	0	319.321	2.212	10	5		DEBERN
CC(C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])c(F)cc1F	ZINC000040792227	183134625	/nfs/dbraw/zinc/13/46/25/183134625.db2.gz	XKLGLNKAYBVAEU-QMMMGPOBSA-N	0	0	302.277	2.010	10	5		DEBERN
CCNc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)C(C)C	ZINC000050650748	183794138	/nfs/dbraw/zinc/79/41/38/183794138.db2.gz	FIWNQWLITJQRGX-JTQLQIEISA-N	0	0	315.395	2.349	10	5		DEBERN
CCNc1ccc(S(=O)(=O)N[C@H](C)C(C)C)cc1[N+](=O)[O-]	ZINC000050650757	183794337	/nfs/dbraw/zinc/79/43/37/183794337.db2.gz	OFNMKNGQTSOFNG-SNVBAGLBSA-N	0	0	315.395	2.349	10	5		DEBERN
O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1COc2ccccc21	ZINC000058726877	184126975	/nfs/dbraw/zinc/12/69/75/184126975.db2.gz	OXKRCQFGKVYCKB-CQSZACIVSA-N	0	0	314.297	2.224	10	5		DEBERN
O=[N+]([O-])c1ccc2c(c1)ncn2S(=O)(=O)Cc1ccccc1	ZINC000058901074	184130672	/nfs/dbraw/zinc/13/06/72/184130672.db2.gz	PGRDBNCARFVCPP-UHFFFAOYSA-N	0	0	317.326	2.323	10	5		DEBERN
NC(=O)CCCNc1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000158101450	197243583	/nfs/dbraw/zinc/24/35/83/197243583.db2.gz	DISTWUQXKVAAHN-UHFFFAOYSA-N	0	0	320.118	2.174	10	5		DEBERN
CCOC(=O)[C@@H](CCOc1ccc([N+](=O)[O-])c(Cl)c1)NC	ZINC000062595644	184244150	/nfs/dbraw/zinc/24/41/50/184244150.db2.gz	UGILYVKZQDDUSV-LLVKDONJSA-N	0	0	316.741	2.168	10	5		DEBERN
COc1ccc(CC(=O)NCCOCC2CCC2)cc1[N+](=O)[O-]	ZINC000555233172	291790058	/nfs/dbraw/zinc/79/00/58/291790058.db2.gz	UAZSQLVTJRKVGO-UHFFFAOYSA-N	0	0	322.361	2.079	10	5		DEBERN
COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)CC(C)C	ZINC000066198546	184396589	/nfs/dbraw/zinc/39/65/89/184396589.db2.gz	LGLCKBQWCPYPGX-UHFFFAOYSA-N	0	0	311.363	2.463	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])o1)N1CCC(=O)Nc2ccccc21	ZINC000118655337	194911837	/nfs/dbraw/zinc/91/18/37/194911837.db2.gz	LKJUKUHNMGPSCK-UHFFFAOYSA-N	0	0	301.258	2.177	10	5		DEBERN
O=[N+]([O-])c1ccc2nc(N3CCO[C@]4(CCOC4)C3)ccc2c1	ZINC000274459251	285149733	/nfs/dbraw/zinc/14/97/33/285149733.db2.gz	XEZQCTSHZHDNBL-MRXNPFEDSA-N	0	0	315.329	2.139	10	5		DEBERN
CNC(=O)[C@H](C)Nc1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000158116085	197245131	/nfs/dbraw/zinc/24/51/31/197245131.db2.gz	WHIQVBFADZUYDQ-YFKPBYRVSA-N	0	0	320.118	2.043	10	5		DEBERN
Cc1cc([N+](=O)[O-])c(Cl)cc1N1C[C@@H](CO)OC[C@@H]1C	ZINC000157728465	197211256	/nfs/dbraw/zinc/21/12/56/197211256.db2.gz	FNXIZKRPOGHKKZ-UWVGGRQHSA-N	0	0	300.742	2.143	10	5		DEBERN
CNc1sc(S(=O)(=O)NCC(C)(C)C)cc1[N+](=O)[O-]	ZINC000157570666	197198719	/nfs/dbraw/zinc/19/87/19/197198719.db2.gz	BLUUVURBBJLYJW-UHFFFAOYSA-N	0	0	307.397	2.022	10	5		DEBERN
O=[N+]([O-])c1cnc(I)c(OC2CC2)c1	ZINC000095735746	285171533	/nfs/dbraw/zinc/17/15/33/285171533.db2.gz	YUBYLNNBCKSZDD-UHFFFAOYSA-N	0	0	306.059	2.136	10	5		DEBERN
CCCCCNS(=O)(=O)c1cc([N+](=O)[O-])c(NC)s1	ZINC000157537979	197195685	/nfs/dbraw/zinc/19/56/85/197195685.db2.gz	NTSFFGMTSXRYGR-UHFFFAOYSA-N	0	0	307.397	2.167	10	5		DEBERN
Cc1ccsc1CNC(=O)c1cccc(NN)c1[N+](=O)[O-]	ZINC000157164227	197166499	/nfs/dbraw/zinc/16/64/99/197166499.db2.gz	CRSRYPNQAROBGY-UHFFFAOYSA-N	0	0	306.347	2.180	10	5		DEBERN
C[C@H](NC(=O)c1cccc(NN)c1[N+](=O)[O-])c1cccs1	ZINC000157132735	197164606	/nfs/dbraw/zinc/16/46/06/197164606.db2.gz	NVWYPVRNPUISJE-QMMMGPOBSA-N	0	0	306.347	2.433	10	5		DEBERN
C[C@@H](N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1)C(C)(C)C	ZINC000125473198	195753937	/nfs/dbraw/zinc/75/39/37/195753937.db2.gz	FUKWRVJVFVUEIK-SSDOTTSWSA-N	0	0	321.424	2.294	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCOCC[C@H]1C	ZINC000376830648	133309442	/nfs/dbraw/zinc/30/94/42/133309442.db2.gz	ZFIXIGRTESGRLI-SNVBAGLBSA-N	0	0	309.322	2.246	10	5		DEBERN
CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCOCC[C@H]1C	ZINC000373403351	133389287	/nfs/dbraw/zinc/38/92/87/133389287.db2.gz	NZPSTLCSUSEYNA-LLVKDONJSA-N	0	0	308.334	2.245	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCOC1CCOCC1	ZINC000130752398	144755997	/nfs/dbraw/zinc/75/59/97/144755997.db2.gz	XUSJNWKYAXRZSP-UHFFFAOYSA-N	0	0	322.361	2.219	10	5		DEBERN
CCCN(C[C@H]1CCCCO1)C(=O)c1[nH]nc(CC)c1[N+](=O)[O-]	ZINC000188434599	145012125	/nfs/dbraw/zinc/01/21/25/145012125.db2.gz	GIXPSDQNGMUKJA-LLVKDONJSA-N	0	0	324.381	2.302	10	5		DEBERN
Cc1csc2c1ncnc2NCCn1cc([N+](=O)[O-])cn1	ZINC000192699593	145077794	/nfs/dbraw/zinc/07/77/94/145077794.db2.gz	VLKQRYVTDPQKPM-UHFFFAOYSA-N	0	0	304.335	2.217	10	5		DEBERN
CC1(C)[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H]2CCO[C@H]21	ZINC000247338502	145134178	/nfs/dbraw/zinc/13/41/78/145134178.db2.gz	YKGLXMZWMWGICK-ZWKOPEQDSA-N	0	0	308.309	2.277	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@@H]([C@H]2CCCO2)C1	ZINC000248693441	145164538	/nfs/dbraw/zinc/16/45/38/145164538.db2.gz	YFOVCBRHJJCBLT-HZPDHXFCSA-N	0	0	306.362	2.283	10	5		DEBERN
CO[C@@H]1CN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1C	ZINC000251646025	145194813	/nfs/dbraw/zinc/19/48/13/145194813.db2.gz	HIYFTTFLPNJFNT-LALPHHSUSA-N	0	0	321.377	2.279	10	5		DEBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1C[C@H]1c1ccccc1	ZINC000110453463	401690679	/nfs/dbraw/zinc/69/06/79/401690679.db2.gz	PEABQRFJAGOIGY-KGLIPLIRSA-N	0	0	314.345	2.020	10	5		DEBERN
COC(=O)CCCCCNc1nc2sccn2c1[N+](=O)[O-]	ZINC000008337778	401752042	/nfs/dbraw/zinc/75/20/42/401752042.db2.gz	XWALFIWGDRWLLH-UHFFFAOYSA-N	0	0	312.351	2.449	10	5		DEBERN
Cc1sc2nc3c4ccccc4c(NN)nn3c(=O)c2c1C	ZINC000008548672	401753940	/nfs/dbraw/zinc/75/39/40/401753940.db2.gz	IPPDNDDWGOWRMP-UHFFFAOYSA-N	0	0	311.370	2.360	10	5		DEBERN
CCC(C)(CC)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000113294296	401775672	/nfs/dbraw/zinc/77/56/72/401775672.db2.gz	LRICVMUOKAPZJX-UHFFFAOYSA-N	0	0	316.379	2.460	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])o1)N1CCO[C@H](c2cccc(O)c2)C1	ZINC000135270665	401933000	/nfs/dbraw/zinc/93/30/00/401933000.db2.gz	FPUGSPJBHONCRR-ZDUSSCGKSA-N	0	0	318.285	2.107	10	5		DEBERN
CC(=O)c1cnc(NC(=O)Cc2ccccc2[N+](=O)[O-])s1	ZINC000118632330	401902939	/nfs/dbraw/zinc/90/29/39/401902939.db2.gz	GLPORDRLGQMHFO-UHFFFAOYSA-N	0	0	305.315	2.435	10	5		DEBERN
CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[C@@H]2O)c1	ZINC000089161728	401937669	/nfs/dbraw/zinc/93/76/69/401937669.db2.gz	BAPKPOWHWXXJDJ-RNCFNFMXSA-N	0	0	310.375	2.208	10	5		DEBERN
Cc1sc(C(=O)NC[C@@H](CO)c2ccccc2)cc1[N+](=O)[O-]	ZINC000086514350	401923786	/nfs/dbraw/zinc/92/37/86/401923786.db2.gz	DCSGKIQRLBIBNQ-LBPRGKRZSA-N	0	0	320.370	2.471	10	5		DEBERN
COC(=O)CCCCCNC(=O)NCc1ccccc1[N+](=O)[O-]	ZINC000045623082	401959090	/nfs/dbraw/zinc/95/90/90/401959090.db2.gz	MEHDKWAZLGMQGZ-UHFFFAOYSA-N	0	0	323.349	2.127	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NCCc1ccc(F)cc1	ZINC000045700694	401960710	/nfs/dbraw/zinc/96/07/10/401960710.db2.gz	YTFRAGMUHKNTGJ-UHFFFAOYSA-N	0	0	303.293	2.410	10	5		DEBERN
C[C@H](O)C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1	ZINC000136312894	401965557	/nfs/dbraw/zinc/96/55/57/401965557.db2.gz	OAQVEGYJRLXRPO-NTYUQYKDSA-N	0	0	304.346	2.227	10	5		DEBERN
O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CCCC[C@H]1CO	ZINC000151092565	402015259	/nfs/dbraw/zinc/01/52/59/402015259.db2.gz	XGMLKMKPMZCSNQ-QWHCGFSZSA-N	0	0	321.377	2.064	10	5		DEBERN
O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]2OCCC[C@@H]2C1	ZINC000121112584	402015647	/nfs/dbraw/zinc/01/56/47/402015647.db2.gz	FFIGTZQVNPZPRP-YGRLFVJLSA-N	0	0	308.309	2.375	10	5		DEBERN
CCOc1ccc(C(=O)NCc2cscn2)cc1[N+](=O)[O-]	ZINC000050407247	402027965	/nfs/dbraw/zinc/02/79/65/402027965.db2.gz	JCZNXSZDRNMGGF-UHFFFAOYSA-N	0	0	307.331	2.380	10	5		DEBERN
O=C(CCOc1ccccc1[N+](=O)[O-])NCc1cscn1	ZINC000050403951	402028154	/nfs/dbraw/zinc/02/81/54/402028154.db2.gz	KTPIQIFTRCPFGR-UHFFFAOYSA-N	0	0	307.331	2.137	10	5		DEBERN
Cc1c(Br)cc(C(=O)N2CCCO2)cc1[N+](=O)[O-]	ZINC000152599132	402101542	/nfs/dbraw/zinc/10/15/42/402101542.db2.gz	ZZCWHYWPFUQFFX-UHFFFAOYSA-N	0	0	315.123	2.443	10	5		DEBERN
NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC1CCCCC1	ZINC000067949580	402179754	/nfs/dbraw/zinc/17/97/54/402179754.db2.gz	UMVIBYLNYBTKRH-UHFFFAOYSA-N	0	0	313.379	2.234	10	5		DEBERN
C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1	ZINC000126021055	402260485	/nfs/dbraw/zinc/26/04/85/402260485.db2.gz	XZBZNZKWPJYVHA-QMTHXVAHSA-N	0	0	324.768	2.156	10	5		DEBERN
O=C(c1ccccc1[N+](=O)[O-])N1CCC(Cn2cccn2)CC1	ZINC000126014219	402260725	/nfs/dbraw/zinc/26/07/25/402260725.db2.gz	FBCKTGRQXMJSKX-UHFFFAOYSA-N	0	0	314.345	2.344	10	5		DEBERN
CCC(CC)(CO)CNC(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000154301361	402204688	/nfs/dbraw/zinc/20/46/88/402204688.db2.gz	JAPCDOILLPCGBH-UHFFFAOYSA-N	0	0	300.380	2.493	10	5		DEBERN
CS(=O)(=O)c1cc(N2CCC3(CCC3)C2)ccc1[N+](=O)[O-]	ZINC000126161911	402267292	/nfs/dbraw/zinc/26/72/92/402267292.db2.gz	CNACRSXSCOBCSA-UHFFFAOYSA-N	0	0	310.375	2.379	10	5		DEBERN
CCOc1cccnc1C(=O)NCc1cccc([N+](=O)[O-])c1	ZINC000176193712	402288695	/nfs/dbraw/zinc/28/86/95/402288695.db2.gz	FLMMHDPUNMKVFY-UHFFFAOYSA-N	0	0	301.302	2.319	10	5		DEBERN
CC[C@@H](NC(=O)CCc1nc(C)no1)c1cccc([N+](=O)[O-])c1	ZINC000177781462	402435913	/nfs/dbraw/zinc/43/59/13/402435913.db2.gz	IHYVKRYOASTNKO-CYBMUJFWSA-N	0	0	318.333	2.486	10	5		DEBERN
O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@@H]1Cc2ccccc2[C@@H]1O	ZINC000178544612	402509878	/nfs/dbraw/zinc/50/98/78/402509878.db2.gz	YXHYBJNXBQQCGD-FDRAFAAVSA-N	0	0	324.336	2.383	10	5		DEBERN
Cc1c(NC(=O)[C@H](C)N(C)C[C@H]2CCCO2)cccc1[N+](=O)[O-]	ZINC000246156316	402513797	/nfs/dbraw/zinc/51/37/97/402513797.db2.gz	UWVGOBWWYZQXNR-QWHCGFSZSA-N	0	0	321.377	2.341	10	5		DEBERN
Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCc2nnc(C(C)C)n2C1	ZINC000170981944	402547149	/nfs/dbraw/zinc/54/71/49/402547149.db2.gz	CPCPFDDJNMYNOS-LLVKDONJSA-N	0	0	316.365	2.440	10	5		DEBERN
Cc1nn(C)c(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)c1[N+](=O)[O-]	ZINC000246858812	402547444	/nfs/dbraw/zinc/54/74/44/402547444.db2.gz	IFIBESVHZOPKOX-ADEWGFFLSA-N	0	0	306.366	2.430	10	5		DEBERN
CNC(=O)[C@@H](NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)C(C)C	ZINC000178958638	402559607	/nfs/dbraw/zinc/55/96/07/402559607.db2.gz	XYRRCJDDWUYKGT-LBPRGKRZSA-N	0	0	322.365	2.104	10	5		DEBERN
O=C1NCC[C@@H]1Sc1ccc(Br)cc1[N+](=O)[O-]	ZINC000179090772	402571649	/nfs/dbraw/zinc/57/16/49/402571649.db2.gz	WFRILAWMUVEXOH-VIFPVBQESA-N	0	0	317.164	2.338	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCc1ccccn1	ZINC000178598719	402516190	/nfs/dbraw/zinc/51/61/90/402516190.db2.gz	UKIFGVWOQMBODW-UHFFFAOYSA-N	0	0	300.318	2.056	10	5		DEBERN
CN(C)C(=O)[C@H](Cc1ccccc1)Nc1ncc([N+](=O)[O-])s1	ZINC000190337606	402593759	/nfs/dbraw/zinc/59/37/59/402593759.db2.gz	LKCWUZRZCYNROX-NSHDSACASA-N	0	0	320.374	2.163	10	5		DEBERN
CCc1n[nH]c(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)c1[N+](=O)[O-]	ZINC000171878390	402631294	/nfs/dbraw/zinc/63/12/94/402631294.db2.gz	YRDLYRRXNSHNBH-VXGBXAGGSA-N	0	0	314.345	2.414	10	5		DEBERN
CN(c1ncc([N+](=O)[O-])s1)[C@@H]1CCN(c2ccccc2)C1=O	ZINC000192457235	402730356	/nfs/dbraw/zinc/73/03/56/402730356.db2.gz	IDDLMRSUPHAPGD-LLVKDONJSA-N	0	0	318.358	2.293	10	5		DEBERN
CCC1(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCC1	ZINC000174929022	402764440	/nfs/dbraw/zinc/76/44/40/402764440.db2.gz	WBYBVGLZHYKCAK-UHFFFAOYSA-N	0	0	315.333	2.238	10	5		DEBERN
O=C(Nc1ccncc1[N+](=O)[O-])N1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000183624540	402782658	/nfs/dbraw/zinc/78/26/58/402782658.db2.gz	OEBZBPHEDZNSRD-NHYWBVRUSA-N	0	0	320.349	2.149	10	5		DEBERN
Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC1(C)OCCCO1	ZINC000192315609	402722569	/nfs/dbraw/zinc/72/25/69/402722569.db2.gz	KZBYFELQTRUDMM-UHFFFAOYSA-N	0	0	323.349	2.486	10	5		DEBERN
Cc1c(C(=O)N2CCN3CCCC[C@H]3C2)cccc1[N+](=O)[O-]	ZINC000195095165	402830905	/nfs/dbraw/zinc/83/09/05/402830905.db2.gz	KUTOLAPEYNZADJ-ZDUSSCGKSA-N	0	0	303.362	2.214	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1	ZINC000268039966	403043471	/nfs/dbraw/zinc/04/34/71/403043471.db2.gz	NZXCHTOKPQICJL-CZUORRHYSA-N	0	0	305.378	2.060	10	5		DEBERN
CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H]2CC=CC[C@H]2C1	ZINC000301450227	403631253	/nfs/dbraw/zinc/63/12/53/403631253.db2.gz	XBFHPCRJZKTOHE-RYUDHWBXSA-N	0	0	301.346	2.357	10	5		DEBERN
CCC(=O)N1CC[C@@H](Nc2cc(OC)c(F)cc2[N+](=O)[O-])C1	ZINC000301679325	403663344	/nfs/dbraw/zinc/66/33/44/403663344.db2.gz	RZFRQHSYTFLPSP-SECBINFHSA-N	0	0	311.313	2.165	10	5		DEBERN
CC[NH+]1CCN([C@@H](C)CNc2cc(F)ccc2[N+](=O)[O-])CC1	ZINC000302789896	403726617	/nfs/dbraw/zinc/72/66/17/403726617.db2.gz	FQXFXRDHNNUFQS-LBPRGKRZSA-N	0	0	310.373	2.172	10	5		DEBERN
C[C@@H]1CCOCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000367654801	405115338	/nfs/dbraw/zinc/11/53/38/405115338.db2.gz	BXCNKJWQWFBXBL-LLVKDONJSA-N	0	0	308.334	2.072	10	5		DEBERN
CCOc1ccc(C(=O)N2CC[C@@H](O)C(C)(C)C2)cc1[N+](=O)[O-]	ZINC000438524474	405249805	/nfs/dbraw/zinc/24/98/05/405249805.db2.gz	UBFIQOXHUCDBJI-CQSZACIVSA-N	0	0	322.361	2.227	10	5		DEBERN
O=[N+]([O-])c1ccc(N[C@@H]2CCCC[C@@H]2N2CCOCC2)cn1	ZINC000521718164	406363546	/nfs/dbraw/zinc/36/35/46/406363546.db2.gz	JZNIWNOFMOTVFB-KGLIPLIRSA-N	0	0	306.366	2.045	10	5		DEBERN
NC(=O)c1c(Br)ccc([N+](=O)[O-])c1OC(F)F	ZINC000575682922	406818189	/nfs/dbraw/zinc/81/81/89/406818189.db2.gz	GLLHFVVBHYPNGJ-UHFFFAOYSA-N	0	0	311.038	2.058	10	5		DEBERN
CC[C@@H](C)N(CC)S(=O)(=O)c1ccc([N+](=O)[O-])c(NC)c1	ZINC000131895400	196208531	/nfs/dbraw/zinc/20/85/31/196208531.db2.gz	CAGCHEOFMZADJN-SNVBAGLBSA-N	0	0	315.395	2.446	10	5		DEBERN
CC[C@@H](C)CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(NC)c1	ZINC000131902277	196209175	/nfs/dbraw/zinc/20/91/75/196209175.db2.gz	YFVYZPREWQFNQL-SNVBAGLBSA-N	0	0	315.395	2.303	10	5		DEBERN
O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1c1nc[nH]n1	ZINC000132047214	196222303	/nfs/dbraw/zinc/22/23/03/196222303.db2.gz	HHWKGTJEYSUALD-LBPRGKRZSA-N	0	0	316.321	2.472	10	5		DEBERN
CCCNc1cc(S(=O)(=O)NC2CCC2)ccc1[N+](=O)[O-]	ZINC000132415115	196254238	/nfs/dbraw/zinc/25/42/38/196254238.db2.gz	BKUDADBFGYRQHF-UHFFFAOYSA-N	0	0	313.379	2.248	10	5		DEBERN
CN(C[C@@H]1CCCO1)C(=O)c1cc(F)c([N+](=O)[O-])cc1F	ZINC000134053550	196357633	/nfs/dbraw/zinc/35/76/33/196357633.db2.gz	YXDFZSDRRNHWSY-QMMMGPOBSA-N	0	0	300.261	2.124	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(OC)cc2)n1	ZINC000191460760	225112034	/nfs/dbraw/zinc/11/20/34/225112034.db2.gz	NQXIDKRRYZWCBH-UHFFFAOYSA-N	0	0	318.333	2.092	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCc3cc(OC)ccc32)n1	ZINC000191581265	225112541	/nfs/dbraw/zinc/11/25/41/225112541.db2.gz	SJLJQLKBHSGXQI-UHFFFAOYSA-N	0	0	316.317	2.023	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N(C)CCc2cccs2)n1	ZINC000191643051	225115278	/nfs/dbraw/zinc/11/52/78/225115278.db2.gz	DBMJEBKFQDJGNV-UHFFFAOYSA-N	0	0	308.363	2.187	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cccc(O)c2)n1	ZINC000191857500	225117237	/nfs/dbraw/zinc/11/72/37/225117237.db2.gz	HJARULYQQRUEAP-VIFPVBQESA-N	0	0	304.306	2.008	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCCOC2CCCCCC2)n1	ZINC000191819322	225117579	/nfs/dbraw/zinc/11/75/79/225117579.db2.gz	HSRPPXNVMDNHTJ-UHFFFAOYSA-N	0	0	324.381	2.280	10	5		DEBERN
Cc1nn(C)c(C)c1CCNC(=O)c1cccc(C)c1[N+](=O)[O-]	ZINC000193310606	424868062	/nfs/dbraw/zinc/86/80/62/424868062.db2.gz	CQYOINJMFIZNRD-UHFFFAOYSA-N	0	0	316.361	2.226	10	5		DEBERN
O=[N+]([O-])c1ccc(-c2csc(NC[C@@H](O)C(F)F)n2)cc1	ZINC000450502980	425076030	/nfs/dbraw/zinc/07/60/30/425076030.db2.gz	UCKIDEZSTKNINQ-SNVBAGLBSA-N	0	0	315.301	2.756	10	5		DEBERN
COc1cccc(CNC(=O)c2cc([N+](=O)[O-])cnc2C)c1	ZINC000194745078	268557775	/nfs/dbraw/zinc/55/77/75/268557775.db2.gz	KSMVZFHPCVFWRT-UHFFFAOYSA-N	0	0	301.302	2.237	10	5		DEBERN
CC(C)(C)OC(=O)N[C@@H]1CCCN(c2ccncc2[N+](=O)[O-])C1	ZINC000087493422	277201640	/nfs/dbraw/zinc/20/16/40/277201640.db2.gz	XSOLWNRDLFVAFF-LLVKDONJSA-N	0	0	322.365	2.483	10	5		DEBERN
O=C(N[C@@H]1CCCOCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000180976882	279882694	/nfs/dbraw/zinc/88/26/94/279882694.db2.gz	YGPNSAJBRZLCPU-SNVBAGLBSA-N	0	0	303.318	2.375	10	5		DEBERN
O=[N+]([O-])c1cncc(I)c1OC1CC1	ZINC000095735777	280383484	/nfs/dbraw/zinc/38/34/84/280383484.db2.gz	GJECETCTUGFMAF-UHFFFAOYSA-N	0	0	306.059	2.136	10	5		DEBERN
CC(C)CC[C@@](C)(O)CNC(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000075124945	281560073	/nfs/dbraw/zinc/56/00/73/281560073.db2.gz	VCLIMULSDUBXRM-MRXNPFEDSA-N	0	0	308.378	2.441	10	5		DEBERN
CCc1nn(C)c(N2CCC[C@@]3(CCCOC3)C2)c1[N+](=O)[O-]	ZINC000408076065	288647417	/nfs/dbraw/zinc/64/74/17/288647417.db2.gz	CLWVBRMSRMDNJS-OAHLLOKOSA-N	0	0	308.382	2.288	10	5		DEBERN
Cc1nc(C[C@H]2CCCN(c3cc(N)ccc3[N+](=O)[O-])C2)no1	ZINC000192789772	293276782	/nfs/dbraw/zinc/27/67/82/293276782.db2.gz	ZRVLLQSASXNQNA-LLVKDONJSA-N	0	0	317.349	2.328	10	5		DEBERN
CNC(=O)n1c(=O)sc2c1cc([N+](=O)[O-])cc2C(F)(F)F	ZINC000584658563	337378171	/nfs/dbraw/zinc/37/81/71/337378171.db2.gz	GBJBIKDDBDKVHA-UHFFFAOYSA-N	0	0	321.236	2.178	10	5		DEBERN
CC(C)(C)C(=O)N1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1	ZINC000302788009	527577896	/nfs/dbraw/zinc/57/78/96/527577896.db2.gz	BPPVUQLKDPRVKO-UHFFFAOYSA-N	0	0	309.341	2.429	10	5		DEBERN
CCOCc1cccc(Nc2ncc([N+](=O)[O-])cc2C(N)=O)c1	ZINC000301171562	529062298	/nfs/dbraw/zinc/06/22/98/529062298.db2.gz	KGATXEXEFJKKHG-UHFFFAOYSA-N	0	0	316.317	2.369	10	5		DEBERN
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](CO)C1CC1	ZINC000358350543	536134536	/nfs/dbraw/zinc/13/45/36/536134536.db2.gz	KYXUGGCLQWHFGM-UKRRQHHQSA-N	0	0	320.389	2.298	10	5		DEBERN
COC(=O)c1cc(NC(=O)c2cccc(O)c2)cc([N+](=O)[O-])c1	ZINC000357287853	536561574	/nfs/dbraw/zinc/56/15/74/536561574.db2.gz	KETYIDUFTDLAHP-UHFFFAOYSA-N	0	0	316.269	2.339	10	5		DEBERN
CC(=CC(=O)N[C@@H](C)c1nnc(C)[nH]1)c1ccc([N+](=O)[O-])cc1	ZINC000804811772	623253378	/nfs/dbraw/zinc/25/33/78/623253378.db2.gz	CJDGZTHRLPAASN-DDXVTDLHSA-N	0	0	315.333	2.302	10	5		DEBERN
CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000172965227	623766316	/nfs/dbraw/zinc/76/63/16/623766316.db2.gz	WOQQGLPWHKIDBX-UHFFFAOYSA-N	0	0	323.168	2.046	10	5		DEBERN
CC[C@H](CC(=O)OCCn1cnc([N+](=O)[O-])n1)c1ccccc1	ZINC000176678467	624894427	/nfs/dbraw/zinc/89/44/27/624894427.db2.gz	GNXOSDGMUVOZPY-GFCCVEGCSA-N	0	0	318.333	2.313	10	5		DEBERN
CCC[C@H](C(=O)OCCn1cnc([N+](=O)[O-])n1)c1ccccc1	ZINC000176681327	624897827	/nfs/dbraw/zinc/89/78/27/624897827.db2.gz	PBBLLWORHUWGKW-ZDUSSCGKSA-N	0	0	318.333	2.313	10	5		DEBERN
CCCCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)C(=O)OC	ZINC000176748393	625057548	/nfs/dbraw/zinc/05/75/48/625057548.db2.gz	YXBCCPRSCQUKTO-CYBMUJFWSA-N	0	0	323.349	2.150	10	5		DEBERN
COC(=O)CCCCCNc1nc2ccccn2c1[N+](=O)[O-]	ZINC000052718314	625277981	/nfs/dbraw/zinc/27/79/81/625277981.db2.gz	DNHMWDREFYRZDU-UHFFFAOYSA-N	0	0	306.322	2.388	10	5		DEBERN
CC(=O)N1CCC[C@H]1C(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1	ZINC000744360858	638214694	/nfs/dbraw/zinc/21/46/94/638214694.db2.gz	IXTXHWSILHJKTE-YGRLFVJLSA-N	0	0	306.318	2.210	10	5		DEBERN
C/C(=C/C(=O)OC[C@H]1COC(=O)O1)c1ccc([N+](=O)[O-])cc1	ZINC000752346423	639173739	/nfs/dbraw/zinc/17/37/39/639173739.db2.gz	HBHAOWJMZQTWAQ-PWWFUAJNSA-N	0	0	307.258	2.077	10	5		DEBERN
CCOC(=O)[C@H](CC1CC1)NC(=O)c1ccccc1[N+](=O)[O-]	ZINC000752383849	639178422	/nfs/dbraw/zinc/17/84/22/639178422.db2.gz	NOFZHTWENCSPJX-LBPRGKRZSA-N	0	0	306.318	2.056	10	5		DEBERN
C/C(=C\C(=O)NC1(CO)CCCC1)c1ccc([N+](=O)[O-])cc1	ZINC000752681392	639208400	/nfs/dbraw/zinc/20/84/00/639208400.db2.gz	VLOOMDIRGNGVKJ-ZRDIBKRKSA-N	0	0	304.346	2.419	10	5		DEBERN
C/C(=C\C(=O)N[C@@H](CO)CC1CC1)c1ccc([N+](=O)[O-])cc1	ZINC000752741692	639213832	/nfs/dbraw/zinc/21/38/32/639213832.db2.gz	ROIBVGJIKIXGIC-BMGYJQCNSA-N	0	0	304.346	2.275	10	5		DEBERN
Cc1cc(C(=O)O[C@@H](C(=O)N(C)C)C(C)C)cc([N+](=O)[O-])c1	ZINC000729708872	640829915	/nfs/dbraw/zinc/82/99/15/640829915.db2.gz	NJBAJUWCPDOBNJ-CYBMUJFWSA-N	0	0	308.334	2.173	10	5		DEBERN
Cc1ncc(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)s1	ZINC000801837416	645447628	/nfs/dbraw/zinc/44/76/28/645447628.db2.gz	FIVCHBGNISAKOL-UHFFFAOYSA-N	0	0	310.310	2.011	10	5		DEBERN
COC(=O)C[C@H](C)C(=O)Oc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000151351511	646345898	/nfs/dbraw/zinc/34/58/98/646345898.db2.gz	DCGKNEMAYSTZRG-ZETCQYMHSA-N	0	0	301.682	2.353	10	5		DEBERN
C[C@@H](CCNC(=O)c1cccc([N+](=O)[O-])c1Cl)[S@@](C)=O	ZINC000229794650	646701055	/nfs/dbraw/zinc/70/10/55/646701055.db2.gz	DZHWBXXXKZTUGQ-FFVOIRBGSA-N	0	0	318.782	2.135	10	5		DEBERN
CC(=O)N1CCC[C@@H](C(=O)O[C@H](C)c2ccc([N+](=O)[O-])cc2)C1	ZINC000171569819	646706133	/nfs/dbraw/zinc/70/61/33/646706133.db2.gz	IHCMMBWNQFUZNG-BXUZGUMPSA-N	0	0	320.345	2.458	10	5		DEBERN
CC[C@H](C)OCC(=O)OCCN(C)c1ccc([N+](=O)[O-])cc1	ZINC000153525140	647498895	/nfs/dbraw/zinc/49/88/95/647498895.db2.gz	TVTSVNVWXLNWOM-LBPRGKRZSA-N	0	0	310.350	2.389	10	5		DEBERN
O=C(Cc1cccc(O)c1)OCC(=O)c1cccc([N+](=O)[O-])c1	ZINC000731717609	647503227	/nfs/dbraw/zinc/50/32/27/647503227.db2.gz	DBUOLAJURCTPDH-UHFFFAOYSA-N	0	0	315.281	2.269	10	5		DEBERN
Cc1cc(S(=O)(=O)N[C@H](C)C(C)C)cc([N+](=O)[O-])c1F	ZINC000154240115	647952483	/nfs/dbraw/zinc/95/24/83/647952483.db2.gz	HJEWGUUDCAOQTJ-SECBINFHSA-N	0	0	304.343	2.365	10	5		DEBERN
C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)NCc1ccco1	ZINC000076940881	683948369	/nfs/dbraw/zinc/94/83/69/683948369.db2.gz	UDSJZRIUMWJJCU-NSHDSACASA-N	0	0	315.329	2.255	10	5		DEBERN
Cc1ccc([C@H](C)OC(=O)[C@@H]2CCNC(=O)C2)cc1[N+](=O)[O-]	ZINC000122735243	684118507	/nfs/dbraw/zinc/11/85/07/684118507.db2.gz	IOGITQBDEZZNNF-CMPLNLGQSA-N	0	0	306.318	2.034	10	5		DEBERN
Cc1ccc(C(=O)OCCN2CCSCC2)cc1[N+](=O)[O-]	ZINC000127890694	684167101	/nfs/dbraw/zinc/16/71/01/684167101.db2.gz	HCUDRLWTHJOBPY-UHFFFAOYSA-N	0	0	310.375	2.109	10	5		DEBERN
Cc1ccc(OC(=O)CCOC[C@H]2CCCO2)cc1[N+](=O)[O-]	ZINC000131822285	684202577	/nfs/dbraw/zinc/20/25/77/684202577.db2.gz	JQESRDGPRQZELM-CYBMUJFWSA-N	0	0	309.318	2.394	10	5		DEBERN
COC[C@@H](OC(=O)CCNc1ccccc1[N+](=O)[O-])C1CC1	ZINC000132375371	684208215	/nfs/dbraw/zinc/20/82/15/684208215.db2.gz	CPGQXYYNIXNRBI-CQSZACIVSA-N	0	0	308.334	2.365	10	5		DEBERN
COc1ccccc1[C@@H](O)CNC(=O)c1csc([N+](=O)[O-])c1	ZINC000147765079	684261963	/nfs/dbraw/zinc/26/19/63/684261963.db2.gz	WNMWQBLRFYGURJ-NSHDSACASA-N	0	0	322.342	2.128	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1NCC(C)(C)CS(C)(=O)=O	ZINC000723852191	777188413	/nfs/dbraw/zinc/18/84/13/777188413.db2.gz	QXFDCFYBAAJUGM-UHFFFAOYSA-N	0	0	300.380	2.386	10	5		DEBERN
CCOC(=O)C1(NC(=O)c2ccc([N+](=O)[O-])o2)CCCCC1	ZINC000072011574	795704634	/nfs/dbraw/zinc/70/46/34/795704634.db2.gz	OYRLYPNMPANHOE-UHFFFAOYSA-N	0	0	310.306	2.184	10	5		DEBERN
Cn1cccc1[C@@H](O)CNC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000077101695	185108519	/nfs/dbraw/zinc/10/85/19/185108519.db2.gz	CDRYPHSOBSZHLA-ZDUSSCGKSA-N	0	0	323.736	2.050	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)C(=O)OC(C)(C)C	ZINC000175723564	282196351	/nfs/dbraw/zinc/19/63/51/282196351.db2.gz	JGXPMDLSFGCQOT-SNVBAGLBSA-N	0	0	323.349	2.100	10	5		DEBERN
CC(C)(C)NC(=O)COc1ccc([N+](=O)[O-])c2ncccc12	ZINC000184977971	282257895	/nfs/dbraw/zinc/25/78/95/282257895.db2.gz	LVFXVVBZHGRACW-UHFFFAOYSA-N	0	0	303.318	2.437	10	5		DEBERN
COC(=O)C(C)(C)CNC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1	ZINC000184873219	282256825	/nfs/dbraw/zinc/25/68/25/282256825.db2.gz	QLBITVUXSABEPV-PKNBQFBNSA-N	0	0	320.345	2.314	10	5		DEBERN
CC1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])c(N)c2)CC1	ZINC000097030575	185398994	/nfs/dbraw/zinc/39/89/94/185398994.db2.gz	NGPOBCVQTGIIJP-UHFFFAOYSA-N	0	0	313.379	2.034	10	5		DEBERN
COc1cc(NC(=O)Nc2cnccn2)c([N+](=O)[O-])cc1OC	ZINC000169849376	197760620	/nfs/dbraw/zinc/76/06/20/197760620.db2.gz	WBRXLOQAFYECEY-UHFFFAOYSA-N	0	0	319.277	2.046	10	5		DEBERN
COC(=O)C1(NC(=O)c2cc([N+](=O)[O-])c(C)s2)CCCC1	ZINC000045239857	190674186	/nfs/dbraw/zinc/67/41/86/190674186.db2.gz	UWMFQHKYHJRGMC-UHFFFAOYSA-N	0	0	312.347	2.180	10	5		DEBERN
CO[C@H]1CCN(c2ccc(-c3cccc([N+](=O)[O-])c3)nn2)C1	ZINC000170540764	197778761	/nfs/dbraw/zinc/77/87/61/197778761.db2.gz	ZQHISPUHDSAUDH-ZDUSSCGKSA-N	0	0	300.318	2.277	10	5		DEBERN
CSC[C@H](C)CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000083409150	192369983	/nfs/dbraw/zinc/36/99/83/192369983.db2.gz	HYHWCQHMVNNOAL-SECBINFHSA-N	0	0	318.420	2.409	10	5		DEBERN
CC[C@H](C)N(C)S(=O)(=O)c1cccc(NC)c1[N+](=O)[O-]	ZINC000126902228	185902386	/nfs/dbraw/zinc/90/23/86/185902386.db2.gz	ZBMWAVUGUMXGNV-VIFPVBQESA-N	0	0	301.368	2.056	10	5		DEBERN
CNc1cccc(S(=O)(=O)N2CCCC2(C)C)c1[N+](=O)[O-]	ZINC000126995530	185911057	/nfs/dbraw/zinc/91/10/57/185911057.db2.gz	SKXBLOYZKYIWKR-UHFFFAOYSA-N	0	0	313.379	2.200	10	5		DEBERN
CCCNc1ccc([N+](=O)[O-])c(N[C@H](C)CC[S@@](C)=O)n1	ZINC000130113508	185937556	/nfs/dbraw/zinc/93/75/56/185937556.db2.gz	RUJVWJNWAKIZBQ-UZJPJQLHSA-N	0	0	314.411	2.381	10	5		DEBERN
CN1C[C@H](Nc2ccc3scnc3c2[N+](=O)[O-])CCC1=O	ZINC000084089283	192401737	/nfs/dbraw/zinc/40/17/37/192401737.db2.gz	BIFGCRKAOXXQDB-MRVPVSSYSA-N	0	0	306.347	2.237	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1(C)C	ZINC000170874014	197843519	/nfs/dbraw/zinc/84/35/19/197843519.db2.gz	JAZWGGZEQVVBKV-UHFFFAOYSA-N	0	0	314.363	2.167	10	5		DEBERN
C[C@@H](CO[C@H]1CCOC1)Nc1ncc([N+](=O)[O-])cc1Cl	ZINC000133718643	186009819	/nfs/dbraw/zinc/00/98/19/186009819.db2.gz	SCGRACNOXNDEOF-WPRPVWTQSA-N	0	0	301.730	2.249	10	5		DEBERN
Nc1ccc([N+](=O)[O-])c(Sc2nnc3n2CCCCC3)n1	ZINC000149575588	186051001	/nfs/dbraw/zinc/05/10/01/186051001.db2.gz	KWKXTIWPUOIZJP-UHFFFAOYSA-N	0	0	306.351	2.041	10	5		DEBERN
CNc1ncnc(Sc2ccccc2[N+](=O)[O-])c1[N+](=O)[O-]	ZINC000150180483	186055373	/nfs/dbraw/zinc/05/53/73/186055373.db2.gz	BAJYBRXGHGOKQD-UHFFFAOYSA-N	0	0	307.291	2.486	10	5		DEBERN
COC(=O)c1ccc(Cn2cc([N+](=O)[O-])cc(C)c2=O)cc1F	ZINC000155825324	186115643	/nfs/dbraw/zinc/11/56/43/186115643.db2.gz	XYHXIIWJTHQFHA-UHFFFAOYSA-N	0	0	320.276	2.039	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(CC(=O)NC2CCCCCCC2)c1=O	ZINC000155879927	186119964	/nfs/dbraw/zinc/11/99/64/186119964.db2.gz	YYPSJPQUXMHJMB-UHFFFAOYSA-N	0	0	321.377	2.294	10	5		DEBERN
C[C@H]1CC[C@H](C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)O1	ZINC000159685092	186135347	/nfs/dbraw/zinc/13/53/47/186135347.db2.gz	ARWJDABCIJIOFY-TVQRCGJNSA-N	0	0	316.317	2.491	10	5		DEBERN
CCC1(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCC1	ZINC000174912717	198401644	/nfs/dbraw/zinc/40/16/44/198401644.db2.gz	GQPMPZMXAYHYQY-UHFFFAOYSA-N	0	0	315.333	2.238	10	5		DEBERN
NS(=O)(=O)CCCCCOc1ccc([N+](=O)[O-])cc1Cl	ZINC000078769762	191928978	/nfs/dbraw/zinc/92/89/78/191928978.db2.gz	FNMUZZUOKOBBKZ-UHFFFAOYSA-N	0	0	322.770	2.086	10	5		DEBERN
Cc1nn(C)c(C)c1CCCNC(=O)c1ccc([N+](=O)[O-])s1	ZINC000182216378	356114429	/nfs/dbraw/zinc/11/44/29/356114429.db2.gz	VDAYAAIMEGWTNB-UHFFFAOYSA-N	0	0	322.390	2.369	10	5		DEBERN
C[C@H](Oc1cccc(CO)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000183391858	356169962	/nfs/dbraw/zinc/16/99/62/356169962.db2.gz	AEHYSKRMRYPBCH-NSHDSACASA-N	0	0	316.313	2.493	10	5		DEBERN
CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H](Oc2cccnc2)C1	ZINC000192690291	356221741	/nfs/dbraw/zinc/22/17/41/356221741.db2.gz	BGIHBTCFKSQYEW-ZDUSSCGKSA-N	0	0	317.349	2.172	10	5		DEBERN
Cc1c(C(=O)NCc2ccc(CO)c(F)c2)cccc1[N+](=O)[O-]	ZINC000194213643	356235976	/nfs/dbraw/zinc/23/59/76/356235976.db2.gz	BLVBAQQZWDQSOV-UHFFFAOYSA-N	0	0	318.304	2.465	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc2ccc(F)cn2n1	ZINC000080814430	192193331	/nfs/dbraw/zinc/19/33/31/192193331.db2.gz	FSZCJUHAJIOBLD-UHFFFAOYSA-N	0	0	315.264	2.337	10	5		DEBERN
COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C)c2ccncc2)n1	ZINC000587992956	357386086	/nfs/dbraw/zinc/38/60/86/357386086.db2.gz	ZZBZENPGFLKEBP-SNVBAGLBSA-N	0	0	316.317	2.387	10	5		DEBERN
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC000064240528	291115986	/nfs/dbraw/zinc/11/59/86/291115986.db2.gz	QOZLNYNNMZKOEH-IUCAKERBSA-N	0	0	304.393	2.323	10	5		DEBERN
O=C(NC[C@@H]1CCC[C@H]1CO)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000089499017	192802854	/nfs/dbraw/zinc/80/28/54/192802854.db2.gz	YRBHMSXORTZYTK-QWRGUYRKSA-N	0	0	312.753	2.387	10	5		DEBERN
CCN(CCc1nccs1)C(=O)c1cc([N+](=O)[O-])ccc1N	ZINC000187385822	200104825	/nfs/dbraw/zinc/10/48/25/200104825.db2.gz	OFTGNOJLSWIJSX-UHFFFAOYSA-N	0	0	320.374	2.338	10	5		DEBERN
CN(Cc1ccc(Cl)nc1)C(=O)c1cc([N+](=O)[O-])ccc1N	ZINC000189194278	200361708	/nfs/dbraw/zinc/36/17/08/200361708.db2.gz	USDBPKLPBXHBPQ-UHFFFAOYSA-N	0	0	320.736	2.498	10	5		DEBERN
CCC[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000609497068	361315282	/nfs/dbraw/zinc/31/52/82/361315282.db2.gz	LPMMCVNQJFQNAL-MNOVXSKESA-N	0	0	323.349	2.097	10	5		DEBERN
COc1ccc([N+](=O)[O-])c(N2CCC[C@H](NC(=O)C(C)C)C2)c1	ZINC000610575682	361425011	/nfs/dbraw/zinc/42/50/11/361425011.db2.gz	VQEKUKFWBSMLPQ-LBPRGKRZSA-N	0	0	321.377	2.344	10	5		DEBERN
CCOc1ccc(C(=O)N2CCCOC[C@@H]2C)cc1[N+](=O)[O-]	ZINC000610948314	361497399	/nfs/dbraw/zinc/49/73/99/361497399.db2.gz	BADLYWZHDVXQBJ-NSHDSACASA-N	0	0	308.334	2.245	10	5		DEBERN
CCCNC(=O)C1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1	ZINC000611615710	361645358	/nfs/dbraw/zinc/64/53/58/361645358.db2.gz	NQFANXLHJANAQS-UHFFFAOYSA-N	0	0	320.393	2.349	10	5		DEBERN
CCOC(=O)CC[C@H](C)NC(=O)c1c(C)cccc1[N+](=O)[O-]	ZINC000194962585	201318319	/nfs/dbraw/zinc/31/83/19/201318319.db2.gz	HHGRKQRSWVXFOP-NSHDSACASA-N	0	0	308.334	2.365	10	5		DEBERN
CCOC(=O)Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1Cl	ZINC000091562249	193073562	/nfs/dbraw/zinc/07/35/62/193073562.db2.gz	DBLMFGIQDPQLNN-UHFFFAOYSA-N	0	0	301.608	2.027	10	5		DEBERN
CN1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2Br)C1	ZINC000093433935	193250430	/nfs/dbraw/zinc/25/04/30/193250430.db2.gz	JCGBNGVQIWINGO-QMMMGPOBSA-N	0	0	315.171	2.258	10	5		DEBERN
[NH3+][C@]1(C(=O)[O-])CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000093760677	193301955	/nfs/dbraw/zinc/30/19/55/193301955.db2.gz	XMQQZKUHIJQOMQ-NOZJJQNGSA-N	0	0	314.725	2.352	10	5		DEBERN
CC1(C)CCC[C@H]1NS(=O)(=O)c1cc(N)ccc1[N+](=O)[O-]	ZINC000094332288	193359578	/nfs/dbraw/zinc/35/95/78/193359578.db2.gz	FFDNRQSXWMAEJP-GFCCVEGCSA-N	0	0	313.379	2.034	10	5		DEBERN
CCS(=O)(=O)Nc1ccc(Br)c([N+](=O)[O-])c1	ZINC000094189015	193348163	/nfs/dbraw/zinc/34/81/63/193348163.db2.gz	HKUANDUTLKFNAE-UHFFFAOYSA-N	0	0	309.141	2.119	10	5		DEBERN
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C(C)C	ZINC000094780014	193397088	/nfs/dbraw/zinc/39/70/88/193397088.db2.gz	LPNYVSWZECTZBH-SECBINFHSA-N	0	0	304.343	2.365	10	5		DEBERN
Cc1cc(N)c([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1(C)C	ZINC000094780659	193398106	/nfs/dbraw/zinc/39/81/06/193398106.db2.gz	KJMGSNAPLYPRDI-UHFFFAOYSA-N	0	0	313.379	2.049	10	5		DEBERN
O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCOC[C@H]1C1CC1	ZINC000089974792	296164660	/nfs/dbraw/zinc/16/46/60/296164660.db2.gz	VONYGHHMXRVQRZ-HNNXBMFYSA-N	0	0	315.329	2.327	10	5		DEBERN
O=C(N[C@H]1Cc2ccccc2[C@H]1O)c1ccc(F)cc1[N+](=O)[O-]	ZINC000178684799	284263927	/nfs/dbraw/zinc/26/39/27/284263927.db2.gz	WWXPFXMMCUIMCL-DZGCQCFKSA-N	0	0	316.288	2.122	10	5		DEBERN
Cc1cc(C(=O)Nc2nc3cc([N+](=O)[O-])ccc3s2)nn1C	ZINC000012287699	181746336	/nfs/dbraw/zinc/74/63/36/181746336.db2.gz	DYIIQRYGCCKJFU-UHFFFAOYSA-N	0	0	317.330	2.499	10	5		DEBERN
CC(=O)N1CCCC[C@H]1C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-]	ZINC000271667131	209108757	/nfs/dbraw/zinc/10/87/57/209108757.db2.gz	BWOSOGJJCYGXPI-ABAIWWIYSA-N	0	0	319.361	2.173	10	5		DEBERN
COC(=O)[C@@H](C)Nc1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000159824134	197367632	/nfs/dbraw/zinc/36/76/32/197367632.db2.gz	KCFRRAXQXQXWSB-RXMQYKEDSA-N	0	0	321.102	2.470	10	5		DEBERN
COC(=O)c1cc(N[C@H]2CCCC[C@@H]2O)cc(C)c1[N+](=O)[O-]	ZINC000267932692	206345253	/nfs/dbraw/zinc/34/52/53/206345253.db2.gz	GYNSZNMIVLCFPG-STQMWFEESA-N	0	0	308.334	2.405	10	5		DEBERN
CCN1C(=O)Cc2cc(NC(=O)c3ccc([N+](=O)[O-])o3)ccc21	ZINC000038706506	183007445	/nfs/dbraw/zinc/00/74/45/183007445.db2.gz	DBNAMFZMEZOBBF-UHFFFAOYSA-N	0	0	315.285	2.349	10	5		DEBERN
O=c1[nH]cnc(Nc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-]	ZINC000040659856	183114857	/nfs/dbraw/zinc/11/48/57/183114857.db2.gz	HMYIWQDYFLZEKX-UHFFFAOYSA-N	0	0	300.196	2.441	10	5		DEBERN
C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)C1	ZINC000040724456	183124346	/nfs/dbraw/zinc/12/43/46/183124346.db2.gz	IMWULYDZONKUEJ-QMMMGPOBSA-N	0	0	304.755	2.279	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])s1)N1CCNCc2ccccc21	ZINC000062818493	284670838	/nfs/dbraw/zinc/67/08/38/284670838.db2.gz	LJDCRSDNOPXFGS-UHFFFAOYSA-N	0	0	303.343	2.406	10	5		DEBERN
Cc1cnn(CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)c1	ZINC000105794041	194129250	/nfs/dbraw/zinc/12/92/50/194129250.db2.gz	XFVSCCDSJIMYIT-UHFFFAOYSA-N	0	0	315.333	2.097	10	5		DEBERN
CCN(C(C)C)S(=O)(=O)c1cc(NC)ccc1[N+](=O)[O-]	ZINC000050652000	183794647	/nfs/dbraw/zinc/79/46/47/183794647.db2.gz	RUTOVEWKUQTCGW-UHFFFAOYSA-N	0	0	301.368	2.056	10	5		DEBERN
CNc1ccc(S(=O)(=O)N[C@H](C)CC(C)C)cc1[N+](=O)[O-]	ZINC000050653471	183795105	/nfs/dbraw/zinc/79/51/05/183795105.db2.gz	DBZBPHHXIOEGSA-SNVBAGLBSA-N	0	0	315.395	2.349	10	5		DEBERN
CCNc1ccc([N+](=O)[O-])cc1CSCCS(C)(=O)=O	ZINC000111007211	194381746	/nfs/dbraw/zinc/38/17/46/194381746.db2.gz	VULGERSKPOYCOX-UHFFFAOYSA-N	0	0	318.420	2.304	10	5		DEBERN
Nc1ccc(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1	ZINC000062727154	184250624	/nfs/dbraw/zinc/25/06/24/184250624.db2.gz	LPDJKSQTETYAEJ-UHFFFAOYSA-N	0	0	306.343	2.193	10	5		DEBERN
CCN[C@@H](CCOc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)OC	ZINC000062595630	184244242	/nfs/dbraw/zinc/24/42/42/184244242.db2.gz	JEQSTLCYMCYROD-NSHDSACASA-N	0	0	316.741	2.168	10	5		DEBERN
COC(=O)[C@@H]1CCCC[C@@H]1CNC(=O)c1ccccc1[N+](=O)[O-]	ZINC000116815117	194774124	/nfs/dbraw/zinc/77/41/24/194774124.db2.gz	FEZFBMOZABAXKD-VXGBXAGGSA-N	0	0	320.345	2.304	10	5		DEBERN
O=[N+]([O-])c1ccc(-c2nccn2C[C@@H](O)C(F)(F)F)cc1	ZINC000158153716	197248787	/nfs/dbraw/zinc/24/87/87/197248787.db2.gz	HCKSKBYDQUHJST-SNVBAGLBSA-N	0	0	301.224	2.382	10	5		DEBERN
CC[C@@H](C)N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(NC)s1	ZINC000157557288	197197738	/nfs/dbraw/zinc/19/77/38/197197738.db2.gz	UQNQWCQGXUGXFB-SSDOTTSWSA-N	0	0	307.397	2.117	10	5		DEBERN
CCc1nnc([C@H]2CN(c3ccc(C)cc3[N+](=O)[O-])CCO2)[nH]1	ZINC000157370588	197182630	/nfs/dbraw/zinc/18/26/30/197182630.db2.gz	SPWPBEZYHQNKAE-CYBMUJFWSA-N	0	0	317.349	2.162	10	5		DEBERN
O=C(NC[C@@H]1CCC[C@@H]1CO)c1cccc(Cl)c1[N+](=O)[O-]	ZINC000155981439	197078136	/nfs/dbraw/zinc/07/81/36/197078136.db2.gz	MHBCMXLFNMKXNM-VHSXEESVSA-N	0	0	312.753	2.387	10	5		DEBERN
CCNc1sc(S(=O)(=O)N(CC)C2CC2)cc1[N+](=O)[O-]	ZINC000125411447	195746630	/nfs/dbraw/zinc/74/66/30/195746630.db2.gz	MKQSIINDLJIISF-UHFFFAOYSA-N	0	0	319.408	2.261	10	5		DEBERN
CSc1cccc(C(=O)NC[C@@H](CO)C2CC2)c1[N+](=O)[O-]	ZINC000359823980	133147125	/nfs/dbraw/zinc/14/71/25/133147125.db2.gz	RDYJSFHAYDZIBR-JTQLQIEISA-N	0	0	310.375	2.065	10	5		DEBERN
COC[C@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1F)C(F)(F)F	ZINC000362203027	133216815	/nfs/dbraw/zinc/21/68/15/133216815.db2.gz	JBNLWPNLLNQTHN-NSHDSACASA-N	0	0	324.230	2.431	10	5		DEBERN
CSc1ccc(CNC(=O)c2cc([N+](=O)[O-])cnc2N)cc1	ZINC000183732961	144933848	/nfs/dbraw/zinc/93/38/48/144933848.db2.gz	MGFINWITNABZIV-UHFFFAOYSA-N	0	0	318.358	2.224	10	5		DEBERN
Cn1ncc([N+](=O)[O-])c1NC(=O)Cc1cnc2ccccc2c1	ZINC000189209867	145023954	/nfs/dbraw/zinc/02/39/54/145023954.db2.gz	MFJOGGMSUFUWGU-UHFFFAOYSA-N	0	0	311.301	2.058	10	5		DEBERN
O=[N+]([O-])c1cnc2ccc(N3CCC[C@@H](OCC4CC4)C3)nn21	ZINC000372266480	148187297	/nfs/dbraw/zinc/18/72/97/148187297.db2.gz	GFIPFYJQLWIRNQ-GFCCVEGCSA-N	0	0	317.349	2.033	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](C(C)(C)C)C1	ZINC000408266262	148582962	/nfs/dbraw/zinc/58/29/62/148582962.db2.gz	OWSGAVRLQUIZME-ZDUSSCGKSA-N	0	0	307.350	2.185	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cncnc1N(C)C	ZINC000126444478	401694247	/nfs/dbraw/zinc/69/42/47/401694247.db2.gz	HFUSGAWDUASBMJ-UHFFFAOYSA-N	0	0	301.306	2.012	10	5		DEBERN
COCc1csc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)n1	ZINC000115245118	401822254	/nfs/dbraw/zinc/82/22/54/401822254.db2.gz	WGSNBNNSCQAOTR-UHFFFAOYSA-N	0	0	323.330	2.459	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(C)n1	ZINC000130397365	401830278	/nfs/dbraw/zinc/83/02/78/401830278.db2.gz	UVAWPTIWPHBRQV-UHFFFAOYSA-N	0	0	301.302	2.237	10	5		DEBERN
Cn1cc([C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)cn1	ZINC000116409972	401852134	/nfs/dbraw/zinc/85/21/34/401852134.db2.gz	MPSUYXKOIQZMPD-NSHDSACASA-N	0	0	315.333	2.350	10	5		DEBERN
CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[C@H]2O)c1	ZINC000089161729	401937576	/nfs/dbraw/zinc/93/75/76/401937576.db2.gz	BAPKPOWHWXXJDJ-TVQRCGJNSA-N	0	0	310.375	2.208	10	5		DEBERN
Cc1cnn(CCNC(=O)CSc2ccc([N+](=O)[O-])cc2)c1	ZINC000117815742	401885260	/nfs/dbraw/zinc/88/52/60/401885260.db2.gz	MCELKPIKQGHIHX-UHFFFAOYSA-N	0	0	320.374	2.008	10	5		DEBERN
Cc1c(NC(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)cccc1[N+](=O)[O-]	ZINC000119487660	401953711	/nfs/dbraw/zinc/95/37/11/401953711.db2.gz	AKUFVNAKKATGBA-KOLCDFICSA-N	0	0	320.349	2.021	10	5		DEBERN
CCOC(=O)CC[C@@H](C)NC(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000089804506	401965218	/nfs/dbraw/zinc/96/52/18/401965218.db2.gz	CDOPWWCZJFAWBJ-LLVKDONJSA-N	0	0	308.334	2.365	10	5		DEBERN
O=[N+]([O-])c1cc(CN2CCS[C@@H]3COCC[C@@H]32)cs1	ZINC000135525883	401942790	/nfs/dbraw/zinc/94/27/90/401942790.db2.gz	CWMGPYFCKSOJAM-WDEREUQCSA-N	0	0	300.405	2.363	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000151330378	402030039	/nfs/dbraw/zinc/03/00/39/402030039.db2.gz	ULKKLQRRSWSHPO-LRDDRELGSA-N	0	0	319.361	2.065	10	5		DEBERN
C[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccc(Cl)s1	ZINC000048644302	402004304	/nfs/dbraw/zinc/00/43/04/402004304.db2.gz	PZDZKCAVDGBGPZ-SSDOTTSWSA-N	0	0	314.754	2.384	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@](C)(CO)C1CCCCC1	ZINC000152951710	402118831	/nfs/dbraw/zinc/11/88/31/402118831.db2.gz	HULQPQJMWXAQRU-MRXNPFEDSA-N	0	0	321.377	2.359	10	5		DEBERN
Cc1sc(C(=O)NCc2nncn2C(C)C)cc1[N+](=O)[O-]	ZINC000104003738	402196095	/nfs/dbraw/zinc/19/60/95/402196095.db2.gz	PQTQWJBZUMTUEX-UHFFFAOYSA-N	0	0	309.351	2.067	10	5		DEBERN
CCc1nc2n(n1)C[C@H](Nc1cccc(F)c1[N+](=O)[O-])CC2	ZINC000108948397	402264950	/nfs/dbraw/zinc/26/49/50/402264950.db2.gz	NCDFBTLRYZMDAI-SECBINFHSA-N	0	0	305.313	2.315	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCOC[C@H]1CCOC1	ZINC000125088633	402212543	/nfs/dbraw/zinc/21/25/43/402212543.db2.gz	YESKUUFYUDPIIW-CYBMUJFWSA-N	0	0	322.361	2.076	10	5		DEBERN
CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000184711753	402294339	/nfs/dbraw/zinc/29/43/39/402294339.db2.gz	DSDNIJOAAKLGHL-JGVFFNPUSA-N	0	0	314.363	2.282	10	5		DEBERN
CCOC(=O)[C@H](C)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000184714562	402294412	/nfs/dbraw/zinc/29/44/12/402294412.db2.gz	GMXWODOYJQKGOD-GHMZBOCLSA-N	0	0	308.334	2.221	10	5		DEBERN
C[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)c1ccc(F)c(F)c1	ZINC000160332598	402340741	/nfs/dbraw/zinc/34/07/41/402340741.db2.gz	YNXRTTWULQCHLU-ZETCQYMHSA-N	0	0	310.260	2.098	10	5		DEBERN
CC(C)n1nnnc1CSCCOc1ccccc1[N+](=O)[O-]	ZINC000176899651	402348290	/nfs/dbraw/zinc/34/82/90/402348290.db2.gz	FTMNUXZOLSSZGS-UHFFFAOYSA-N	0	0	323.378	2.474	10	5		DEBERN
C[C@@H](C(=O)N1CCN(C2CC2)CC1)c1ccc([N+](=O)[O-])cc1F	ZINC000185134246	402327398	/nfs/dbraw/zinc/32/73/98/402327398.db2.gz	BJZBNHACZIZMHB-LLVKDONJSA-N	0	0	321.352	2.144	10	5		DEBERN
CCN(CC(F)F)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000186446943	402431940	/nfs/dbraw/zinc/43/19/40/402431940.db2.gz	UANIVQKJXYKTPD-UHFFFAOYSA-N	0	0	308.306	2.179	10	5		DEBERN
Cc1ccccc1[C@@H](C)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000186747764	402462260	/nfs/dbraw/zinc/46/22/60/402462260.db2.gz	UUPGUTJDLOVIML-SNVBAGLBSA-N	0	0	301.302	2.495	10	5		DEBERN
COC(=O)[C@H]1CN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H](C)O1	ZINC000245538996	402468928	/nfs/dbraw/zinc/46/89/28/402468928.db2.gz	ZMSSIFRCZNTXBB-LALPHHSUSA-N	0	0	322.361	2.227	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(N[C@H]2CCc3nnc(C(C)C)n3C2)n1	ZINC000178203916	402471234	/nfs/dbraw/zinc/47/12/34/402471234.db2.gz	TYWTXJNQBUXGLH-NSHDSACASA-N	0	0	316.365	2.440	10	5		DEBERN
CN(CCc1ccc(F)cc1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000187006920	402477842	/nfs/dbraw/zinc/47/78/42/402477842.db2.gz	LQTDLCGRJVQSNE-UHFFFAOYSA-N	0	0	319.292	2.149	10	5		DEBERN
O=C(Nc1cn(Cc2ccccc2)nn1)c1ccc([N+](=O)[O-])o1	ZINC000187007521	402477995	/nfs/dbraw/zinc/47/79/95/402477995.db2.gz	LNKPKOVRURWDPB-UHFFFAOYSA-N	0	0	313.273	2.080	10	5		DEBERN
O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1Cc2ccccc2[C@@H]1O	ZINC000170993111	402547649	/nfs/dbraw/zinc/54/76/49/402547649.db2.gz	YKLAIQDHMXOTLV-CABCVRRESA-N	0	0	313.313	2.375	10	5		DEBERN
CO[C@@H]1CC[C@H]2OCCN(Cc3ccccc3[N+](=O)[O-])[C@H]2C1	ZINC000246934715	402550094	/nfs/dbraw/zinc/55/00/94/402550094.db2.gz	SBZUPQSLATZNRV-VNQPRFMTSA-N	0	0	306.362	2.363	10	5		DEBERN
COc1cc(CN2CC[C@H](C)[C@H](OC)C2)c([N+](=O)[O-])cc1OC	ZINC000249176758	402622957	/nfs/dbraw/zinc/62/29/57/402622957.db2.gz	MGPKRJXFDAQQQG-MEDUHNTESA-N	0	0	324.377	2.469	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCn1cc(C)cn1	ZINC000182719055	402711208	/nfs/dbraw/zinc/71/12/08/402711208.db2.gz	CEMRBYLBGLTDED-LCYFTJDESA-N	0	0	314.345	2.319	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC1(C)OCCCO1	ZINC000192234555	402718663	/nfs/dbraw/zinc/71/86/63/402718663.db2.gz	NCLYBWYZELFLTC-UHFFFAOYSA-N	0	0	323.349	2.486	10	5		DEBERN
Cc1ccc(NC(=O)C(=O)NC[C@H](C)C(C)C)cc1[N+](=O)[O-]	ZINC000172526064	402660408	/nfs/dbraw/zinc/66/04/08/402660408.db2.gz	BFYBOXVPFXWMQK-NSHDSACASA-N	0	0	307.350	2.250	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N(C)c2ccc(F)c(F)c2)n1	ZINC000191571093	402679150	/nfs/dbraw/zinc/67/91/50/402679150.db2.gz	GWFFTTGXVXLVIH-UHFFFAOYSA-N	0	0	310.260	2.366	10	5		DEBERN
Cc1ccc([C@H](C)NCc2nc(N(C)C)no2)cc1[N+](=O)[O-]	ZINC000191609313	402681326	/nfs/dbraw/zinc/68/13/26/402681326.db2.gz	ZHWOGLXJMYPWDV-JTQLQIEISA-N	0	0	305.338	2.203	10	5		DEBERN
CC(C)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1	ZINC000182909268	402726253	/nfs/dbraw/zinc/72/62/53/402726253.db2.gz	QVJJLPNUGZLCFZ-GFCCVEGCSA-N	0	0	321.377	2.206	10	5		DEBERN
Cc1cc(COCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)on1	ZINC000193279928	402769465	/nfs/dbraw/zinc/76/94/65/402769465.db2.gz	AJCIJLMCNHENGQ-UHFFFAOYSA-N	0	0	305.290	2.355	10	5		DEBERN
O=[N+]([O-])c1ccccc1CNc1cc(-n2cnnn2)ccc1F	ZINC000193900806	402777907	/nfs/dbraw/zinc/77/79/07/402777907.db2.gz	DYJMCJFNUPOXTG-UHFFFAOYSA-N	0	0	314.280	2.322	10	5		DEBERN
COc1cccc(C(=O)NC[C@@H]2CCC(C)(C)O2)c1[N+](=O)[O-]	ZINC000194923006	402823010	/nfs/dbraw/zinc/82/30/10/402823010.db2.gz	SSYAETXULVNADU-JTQLQIEISA-N	0	0	308.334	2.291	10	5		DEBERN
Cc1cc(C(=O)N2CCN3CCCC[C@@H]3C2)cc([N+](=O)[O-])c1	ZINC000195045088	402828817	/nfs/dbraw/zinc/82/88/17/402828817.db2.gz	KAPSVSIWEUYXPW-CQSZACIVSA-N	0	0	303.362	2.214	10	5		DEBERN
CS[C@@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1	ZINC000265290617	402907932	/nfs/dbraw/zinc/90/79/32/402907932.db2.gz	CXUAARRJLNTXJN-WCBMZHEXSA-N	0	0	310.379	2.175	10	5		DEBERN
Cc1nc(C[C@H]2CCCN(c3cc(C)c([N+](=O)[O-])cn3)C2)no1	ZINC000266796911	402992443	/nfs/dbraw/zinc/99/24/43/402992443.db2.gz	AXBYQTVRHRDKJP-GFCCVEGCSA-N	0	0	317.349	2.449	10	5		DEBERN
CN1CCO[C@@H](CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1	ZINC000266974732	403004238	/nfs/dbraw/zinc/00/42/38/403004238.db2.gz	NGLWSJNVXKDHSL-JTQLQIEISA-N	0	0	319.283	2.356	10	5		DEBERN
C/C(=C/c1cccc([N+](=O)[O-])c1)CN1C[C@@H]2COC[C@H](C1)O2	ZINC000338967749	403302060	/nfs/dbraw/zinc/30/20/60/403302060.db2.gz	ULRSFJPPEBUIPI-YRUGHSSSSA-N	0	0	304.346	2.098	10	5		DEBERN
COC[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC(C)(C)O1	ZINC000285101756	403277625	/nfs/dbraw/zinc/27/76/25/403277625.db2.gz	QPYPNNYRZCJWSK-JTQLQIEISA-N	0	0	315.757	2.273	10	5		DEBERN
O=[N+]([O-])c1cnccc1NCc1ccn(Cc2ccccc2)n1	ZINC000343142428	403475879	/nfs/dbraw/zinc/47/58/79/403475879.db2.gz	NKYKHTBHEGTWHU-UHFFFAOYSA-N	0	0	309.329	2.269	10	5		DEBERN
CCc1ccccc1CNc1ncc([N+](=O)[O-])cc1C(N)=O	ZINC000301335214	403616275	/nfs/dbraw/zinc/61/62/75/403616275.db2.gz	FZTJLXCFVRLRSC-UHFFFAOYSA-N	0	0	300.318	2.263	10	5		DEBERN
Cc1cc(C)cc(CCNc2ncc([N+](=O)[O-])cc2C(N)=O)c1	ZINC000301376834	403621893	/nfs/dbraw/zinc/62/18/93/403621893.db2.gz	WEOQVZUHJSFXOF-UHFFFAOYSA-N	0	0	314.345	2.360	10	5		DEBERN
CCC(=O)N1CC[C@H](Nc2cc(OC)c(F)cc2[N+](=O)[O-])C1	ZINC000301679326	403663176	/nfs/dbraw/zinc/66/31/76/403663176.db2.gz	RZFRQHSYTFLPSP-VIFPVBQESA-N	0	0	311.313	2.165	10	5		DEBERN
C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCO[C@H](C2CC2)C1	ZINC000364424406	404387355	/nfs/dbraw/zinc/38/73/55/404387355.db2.gz	ZWFQPPLCGIGWJG-NHYWBVRUSA-N	0	0	319.361	2.033	10	5		DEBERN
C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@H]1C[C@]12CCOC2	ZINC000364941338	404548778	/nfs/dbraw/zinc/54/87/78/404548778.db2.gz	KNMQIGKJBAPUNJ-ZXIHIIQKSA-N	0	0	302.330	2.299	10	5		DEBERN
CCO[C@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)C12CCCC2	ZINC000156881567	286471925	/nfs/dbraw/zinc/47/19/25/286471925.db2.gz	YULIEWPPSKZXQU-NEPJUHHUSA-N	0	0	321.381	2.141	10	5		DEBERN
CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1	ZINC000367291790	404998808	/nfs/dbraw/zinc/99/88/08/404998808.db2.gz	VKCFTHFUBGQATO-ISOBSLSZSA-N	0	0	317.345	2.219	10	5		DEBERN
O=[N+]([O-])c1cn(Cc2ccc3c(c2)OCCO3)nc1C1CC1	ZINC000436202172	405057403	/nfs/dbraw/zinc/05/74/03/405057403.db2.gz	KLSZACAYRDPAEY-UHFFFAOYSA-N	0	0	301.302	2.488	10	5		DEBERN
O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCOCC2(CC2)C1	ZINC000408176240	405131581	/nfs/dbraw/zinc/13/15/81/405131581.db2.gz	DMHLCDKSHAJABT-UHFFFAOYSA-N	0	0	315.329	2.329	10	5		DEBERN
C[C@@H]1C[C@@H]1CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1	ZINC000448700379	405438255	/nfs/dbraw/zinc/43/82/55/405438255.db2.gz	OYXGHSFGHXNTMG-MWLCHTKSSA-N	0	0	300.318	2.371	10	5		DEBERN
NC(=O)c1c(OC(F)F)ccc(Br)c1[N+](=O)[O-]	ZINC000575684468	406818041	/nfs/dbraw/zinc/81/80/41/406818041.db2.gz	VSUDNFINLIULIQ-UHFFFAOYSA-N	0	0	311.038	2.058	10	5		DEBERN
NC(=O)c1cc([N+](=O)[O-])cc(Br)c1Br	ZINC000575693877	406818733	/nfs/dbraw/zinc/81/87/33/406818733.db2.gz	DOYOQQXVKDFZRX-UHFFFAOYSA-N	0	0	323.928	2.219	10	5		DEBERN
COc1cc([N+](=O)[O-])c(C=O)cc1I	ZINC000575727558	406825589	/nfs/dbraw/zinc/82/55/89/406825589.db2.gz	GLZNLPDOWLRJNB-UHFFFAOYSA-N	0	0	307.043	2.021	10	5		DEBERN
CC[C@@H]1CN(c2ncc(C)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1	ZINC000408337081	287214221	/nfs/dbraw/zinc/21/42/21/287214221.db2.gz	SHDHANIPZUQICY-DOMZBBRYSA-N	0	0	307.350	2.073	10	5		DEBERN
CCO[C@@H](C)CNc1cc(C(=O)OC)c(F)cc1[N+](=O)[O-]	ZINC000130880384	196118827	/nfs/dbraw/zinc/11/88/27/196118827.db2.gz	CQWOWKNRWACBOY-QMMMGPOBSA-N	0	0	300.286	2.357	10	5		DEBERN
CC1(C)C(NS(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)C1(C)C	ZINC000131252510	196154071	/nfs/dbraw/zinc/15/40/71/196154071.db2.gz	IIWGEKIXGGHZQA-UHFFFAOYSA-N	0	0	316.354	2.447	10	5		DEBERN
CCNc1cc(S(=O)(=O)N2CCC[C@@H]2C)ccc1[N+](=O)[O-]	ZINC000131445128	196169870	/nfs/dbraw/zinc/16/98/70/196169870.db2.gz	XQTLFJKDQIBXOO-JTQLQIEISA-N	0	0	313.379	2.200	10	5		DEBERN
CC[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(NC)c1	ZINC000131443587	196170187	/nfs/dbraw/zinc/17/01/87/196170187.db2.gz	UFGHUOQZVPLDOT-JTQLQIEISA-N	0	0	313.379	2.200	10	5		DEBERN
CCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(NCC)c1	ZINC000131900119	196208754	/nfs/dbraw/zinc/20/87/54/196208754.db2.gz	QGBYJHYDXPJCMO-UHFFFAOYSA-N	0	0	301.368	2.057	10	5		DEBERN
C[C@@H]1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2F)C1	ZINC000131937577	196211366	/nfs/dbraw/zinc/21/13/66/196211366.db2.gz	BSIXKWOROAFNNX-RKDXNWHRSA-N	0	0	302.327	2.201	10	5		DEBERN
CC(C)CN(C(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1	ZINC000132349170	196248101	/nfs/dbraw/zinc/24/81/01/196248101.db2.gz	DEWXYSDDCBUXRR-UHFFFAOYSA-N	0	0	315.395	2.232	10	5		DEBERN
CCN(c1ccncc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000132390618	196252058	/nfs/dbraw/zinc/25/20/58/196252058.db2.gz	OCKHEYLFFPDXAY-UHFFFAOYSA-N	0	0	313.360	2.267	10	5		DEBERN
CCS(=O)(=O)C[C@@H](C)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000132217372	196236124	/nfs/dbraw/zinc/23/61/24/196236124.db2.gz	CKGBNAVZXPJLEL-MRVPVSSYSA-N	0	0	306.771	2.483	10	5		DEBERN
CCS(=O)(=O)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(Cl)c1	ZINC000132302084	196243271	/nfs/dbraw/zinc/24/32/71/196243271.db2.gz	MPHSHCOVAQSRDB-MRVPVSSYSA-N	0	0	306.771	2.483	10	5		DEBERN
CCc1noc(C)c1NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C	ZINC000132951131	196298624	/nfs/dbraw/zinc/29/86/24/196298624.db2.gz	YFECHUPFFHTOSB-UHFFFAOYSA-N	0	0	321.337	2.296	10	5		DEBERN
COC(=O)[C@H]1CCCCN1c1cc(F)cc(F)c1[N+](=O)[O-]	ZINC000133894327	196344026	/nfs/dbraw/zinc/34/40/26/196344026.db2.gz	MKWYXYRNFXULSK-SNVBAGLBSA-N	0	0	300.261	2.405	10	5		DEBERN
CCSC[C@H](C)Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	ZINC000135407886	196471777	/nfs/dbraw/zinc/47/17/77/196471777.db2.gz	WEPAYIXWXKQAPZ-QMMMGPOBSA-N	0	0	311.363	2.479	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N(C)C[C@H](C)c2nccs2)n1	ZINC000191707343	225115977	/nfs/dbraw/zinc/11/59/77/225115977.db2.gz	ZYPFDERNSHMNJU-VIFPVBQESA-N	0	0	323.378	2.143	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CCC2(CC1)OCCO2	ZINC000299563090	229214628	/nfs/dbraw/zinc/21/46/28/229214628.db2.gz	BCEPJKGURBKJLL-UHFFFAOYSA-N	0	0	320.345	2.319	10	5		DEBERN
C[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)Nc1ccccc1	ZINC000301540925	229731667	/nfs/dbraw/zinc/73/16/67/229731667.db2.gz	CFQQBWMNNSOUIF-SNVBAGLBSA-N	0	0	315.333	2.001	10	5		DEBERN
O=[N+]([O-])c1ccc(NCc2ccnc(O[C@H]3CCOC3)c2)nc1	ZINC000301907764	229972900	/nfs/dbraw/zinc/97/29/00/229972900.db2.gz	ZYDBSZMJYJNTNN-ZDUSSCGKSA-N	0	0	316.317	2.165	10	5		DEBERN
C[C@H](CCC1CC1)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000302227272	230184546	/nfs/dbraw/zinc/18/45/46/230184546.db2.gz	UMOJMNLFRARNGD-SECBINFHSA-N	0	0	313.379	2.233	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N(Cc1ccncc1)C1CC1	ZINC000193075177	424867159	/nfs/dbraw/zinc/86/71/59/424867159.db2.gz	DHBMYXDKRMXUCL-UHFFFAOYSA-N	0	0	312.329	2.498	10	5		DEBERN
COC(=O)c1cc(C)nc(NCCc2ccc(C)o2)c1[N+](=O)[O-]	ZINC000557492851	424884795	/nfs/dbraw/zinc/88/47/95/424884795.db2.gz	UHSVPIACJNTUIX-UHFFFAOYSA-N	0	0	319.317	2.641	10	5		DEBERN
CCc1cnc(CCNC(=O)c2cccc([N+](=O)[O-])c2N)s1	ZINC000176943292	267548786	/nfs/dbraw/zinc/54/87/86/267548786.db2.gz	UDJJMTJNICGXJL-UHFFFAOYSA-N	0	0	320.374	2.168	10	5		DEBERN
CC(=O)c1ccc(N2CCC(C(=O)N(C)C)CC2)c([N+](=O)[O-])c1	ZINC000046229082	277110438	/nfs/dbraw/zinc/11/04/38/277110438.db2.gz	YSVYIDFYEVGPDI-UHFFFAOYSA-N	0	0	319.361	2.102	10	5		DEBERN
CC(C)c1nc2c(n1C)CCN(c1ncc([N+](=O)[O-])s1)C2	ZINC000190326153	278076131	/nfs/dbraw/zinc/07/61/31/278076131.db2.gz	GRVQAKIIMTZKDG-UHFFFAOYSA-N	0	0	307.379	2.471	10	5		DEBERN
Cc1cccc(C(=O)N[C@H]2Cc3ccccc3[C@H]2O)c1[N+](=O)[O-]	ZINC000178338390	281195680	/nfs/dbraw/zinc/19/56/80/281195680.db2.gz	ASRHSHHDHQUJIF-GOEBONIOSA-N	0	0	312.325	2.291	10	5		DEBERN
Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2CCCC[C@H]21	ZINC000183356623	295371597	/nfs/dbraw/zinc/37/15/97/295371597.db2.gz	WQIPIJRRWVEILO-GXFFZTMASA-N	0	0	304.350	2.367	10	5		DEBERN
Cc1cccc([N+](=O)[O-])c1N1CCO[C@H](Cn2cccn2)C1	ZINC000108949526	302040808	/nfs/dbraw/zinc/04/08/08/302040808.db2.gz	IZYXVSJIQGOTQO-ZDUSSCGKSA-N	0	0	302.334	2.005	10	5		DEBERN
O=C(NCCOCC1CCC1)NCCc1cccc([N+](=O)[O-])c1	ZINC000576083120	326267850	/nfs/dbraw/zinc/26/78/50/326267850.db2.gz	WXBOTCNVJUIICS-UHFFFAOYSA-N	0	0	321.377	2.253	10	5		DEBERN
O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC2(C1)CCOCC2	ZINC000583788669	337333094	/nfs/dbraw/zinc/33/30/94/337333094.db2.gz	WIDHNKRWJJUBPC-UHFFFAOYSA-N	0	0	309.297	2.378	10	5		DEBERN
C[C@@H]1C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1	ZINC000448699792	534026997	/nfs/dbraw/zinc/02/69/97/534026997.db2.gz	NHVOSKRGQJVVBF-PWSUYJOCSA-N	0	0	300.318	2.166	10	5		DEBERN
CCCCC[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])cc(C)c1=O	ZINC000155937089	520281910	/nfs/dbraw/zinc/28/19/10/520281910.db2.gz	WVXXIGIJBAGZNK-GFCCVEGCSA-N	0	0	309.366	2.150	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(CC(=O)NCCC2CCCCC2)c1=O	ZINC000155939894	525573096	/nfs/dbraw/zinc/57/30/96/525573096.db2.gz	SOEHGLNYFSWMGZ-UHFFFAOYSA-N	0	0	321.377	2.152	10	5		DEBERN
O=[N+]([O-])c1c(N2CCC[C@@H](n3cccn3)C2)nc2sccn21	ZINC000301194984	534879287	/nfs/dbraw/zinc/87/92/87/534879287.db2.gz	TYNJHTNFERVWHS-SNVBAGLBSA-N	0	0	318.362	2.342	10	5		DEBERN
O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1C[C@@H]1c1ccccc1	ZINC000110440278	526671127	/nfs/dbraw/zinc/67/11/27/526671127.db2.gz	ZESQROUOHUISND-UKRRQHHQSA-N	0	0	314.345	2.101	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](O)CC1	ZINC000294856369	527527388	/nfs/dbraw/zinc/52/73/88/527527388.db2.gz	NTRDZDUVHBNAKH-AYJWMTRPSA-N	0	0	304.346	2.372	10	5		DEBERN
CCN1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1=O	ZINC000302720634	527913179	/nfs/dbraw/zinc/91/31/79/527913179.db2.gz	LDPOBDFNTIGWQY-UHFFFAOYSA-N	0	0	303.240	2.240	10	5		DEBERN
CCOC(=O)[C@@]1(C(C)C)CCN(c2ccc([N+](=O)[O-])nc2)C1	ZINC000444870649	527931156	/nfs/dbraw/zinc/93/11/56/527931156.db2.gz	IJMOLXGPIMIROA-HNNXBMFYSA-N	0	0	307.350	2.405	10	5		DEBERN
CCOc1ccc(C(=O)N2CCCc3n[nH]cc32)cc1[N+](=O)[O-]	ZINC000447635886	528393043	/nfs/dbraw/zinc/39/30/43/528393043.db2.gz	HMVWCJWCTYJUIF-UHFFFAOYSA-N	0	0	316.317	2.310	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(F)cc2OC)n1	ZINC000191522860	529154701	/nfs/dbraw/zinc/15/47/01/529154701.db2.gz	QKZWAJWNHVBALP-UHFFFAOYSA-N	0	0	308.269	2.211	10	5		DEBERN
CCSCC[C@@H](C)N(C)C(=O)c1nn(CC)cc1[N+](=O)[O-]	ZINC000191647547	529184163	/nfs/dbraw/zinc/18/41/63/529184163.db2.gz	KBXCJPULZQGMBQ-SNVBAGLBSA-N	0	0	314.411	2.415	10	5		DEBERN
O=[N+]([O-])c1ccc(F)cc1CN1CCC(Cn2ccnn2)CC1	ZINC000179040517	625320483	/nfs/dbraw/zinc/32/04/83/625320483.db2.gz	GOOIIQDYTFBDMI-UHFFFAOYSA-N	0	0	319.340	2.238	10	5		DEBERN
O=C(/C=C\c1ccnc(Cl)c1)OCCn1cc([N+](=O)[O-])cn1	ZINC000255239253	624045795	/nfs/dbraw/zinc/04/57/95/624045795.db2.gz	DGALHFGQIBWVGB-UPHRSURJSA-N	0	0	322.708	2.096	10	5		DEBERN
CN(CCOC(=O)CC[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1	ZINC000176116897	624633752	/nfs/dbraw/zinc/63/37/52/624633752.db2.gz	LBSBVPSDSTVKPL-CYBMUJFWSA-N	0	0	322.361	2.391	10	5		DEBERN
Cc1nc(C(=O)OCCn2c(C)ncc2[N+](=O)[O-])c(C)s1	ZINC000178721954	625087014	/nfs/dbraw/zinc/08/70/14/625087014.db2.gz	KITVRBDLEMXXBD-UHFFFAOYSA-N	0	0	310.335	2.030	10	5		DEBERN
O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCn2ccnc2C1	ZINC000062253340	625870352	/nfs/dbraw/zinc/87/03/52/625870352.db2.gz	HNWSWGNTLHZHCW-UHFFFAOYSA-N	0	0	306.709	2.101	10	5		DEBERN
COc1ccc(NC(=S)NNc2ccc([N+](=O)[O-])cc2)cn1	ZINC000726893879	636991243	/nfs/dbraw/zinc/99/12/43/636991243.db2.gz	LPKYAVOITZBZEL-UHFFFAOYSA-N	0	0	319.346	2.312	10	5		DEBERN
CCOC(=O)[C@H](CC1CC1)NC(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000752381889	639177588	/nfs/dbraw/zinc/17/75/88/639177588.db2.gz	DQOLXZHJCYJPEQ-ZDUSSCGKSA-N	0	0	320.345	2.365	10	5		DEBERN
CCOC(=O)[C@H](CC1CC1)NC(=O)c1csc([N+](=O)[O-])c1	ZINC000752388315	639179726	/nfs/dbraw/zinc/17/97/26/639179726.db2.gz	ZEPRGZKCEWZZTK-JTQLQIEISA-N	0	0	312.347	2.118	10	5		DEBERN
C/C(=C/C(=O)N[C@](C)(CO)C1CC1)c1ccc([N+](=O)[O-])cc1	ZINC000752578609	639200108	/nfs/dbraw/zinc/20/01/08/639200108.db2.gz	CRUYDZRYDVIHPW-HGPCXVNDSA-N	0	0	304.346	2.275	10	5		DEBERN
C/C(=C\C(=O)N[C@H](C)c1ncon1)c1ccc([N+](=O)[O-])cc1	ZINC000752701370	639209801	/nfs/dbraw/zinc/20/98/01/639209801.db2.gz	MWGBNEBWMCKXGP-TTZKWOQHSA-N	0	0	302.290	2.259	10	5		DEBERN
CC(=O)N1CCC[C@H]1C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1	ZINC000729544581	640793133	/nfs/dbraw/zinc/79/31/33/640793133.db2.gz	JBJUJXDVBZAFDO-YGRLFVJLSA-N	0	0	306.318	2.210	10	5		DEBERN
C/C(=C\C(=O)NC[C@H](CO)C(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000805320277	640847827	/nfs/dbraw/zinc/84/78/27/640847827.db2.gz	JHTNSHGMNPEEAW-CEFACKQISA-N	0	0	306.362	2.379	10	5		DEBERN
Cc1nc2c(nccc2C(=O)NCc2ccccc2[N+](=O)[O-])[nH]1	ZINC000436136780	643092940	/nfs/dbraw/zinc/09/29/40/643092940.db2.gz	XZCYNSZVEDCAMU-UHFFFAOYSA-N	0	0	311.301	2.105	10	5		DEBERN
CCOc1ccc(C(=O)OCc2cnc(C)nc2)cc1[N+](=O)[O-]	ZINC000803261160	645626466	/nfs/dbraw/zinc/62/64/66/645626466.db2.gz	ZWCLIYDGCDPGGY-UHFFFAOYSA-N	0	0	317.301	2.449	10	5		DEBERN
CC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H](O)CC(F)(F)C1	ZINC000804646916	645800503	/nfs/dbraw/zinc/80/05/03/645800503.db2.gz	XNKWXHQICMXEPN-SNVBAGLBSA-N	0	0	300.261	2.004	10	5		DEBERN
Cc1nn(C)c(C)c1CCNC(=O)c1cc(F)ccc1[N+](=O)[O-]	ZINC000154045119	647877121	/nfs/dbraw/zinc/87/71/21/647877121.db2.gz	WCDWZHWPRPXODW-UHFFFAOYSA-N	0	0	320.324	2.057	10	5		DEBERN
COc1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000064240484	648036030	/nfs/dbraw/zinc/03/60/30/648036030.db2.gz	IUSJQOVQDNJJLI-UHFFFAOYSA-N	0	0	315.328	2.433	10	5		DEBERN
CC1(NC(=O)c2cc([N+](=O)[O-])ncc2Br)CCC1	ZINC000381064452	685399618	/nfs/dbraw/zinc/39/96/18/685399618.db2.gz	XTDXUKKMKZVPME-UHFFFAOYSA-N	0	0	314.139	2.425	10	5		DEBERN
Cc1nn(CN(C)C[C@H]2CCCO2)c2cc([N+](=O)[O-])ccc12	ZINC000121203321	684106431	/nfs/dbraw/zinc/10/64/31/684106431.db2.gz	HDFWKBGYTGZVJI-CYBMUJFWSA-N	0	0	304.350	2.321	10	5		DEBERN
CC(=O)N[C@@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1	ZINC000122355100	684114650	/nfs/dbraw/zinc/11/46/50/684114650.db2.gz	XCIUJQRNLQZRDU-GFCCVEGCSA-N	0	0	311.769	2.349	10	5		DEBERN
COCCC1(C(=O)OCCN(C)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000123268307	684123535	/nfs/dbraw/zinc/12/35/35/684123535.db2.gz	NITMHNKZROKWIH-UHFFFAOYSA-N	0	0	322.361	2.391	10	5		DEBERN
O=C(CCn1cc([N+](=O)[O-])cn1)OCC(Cl)(Cl)Cl	ZINC000132884418	684213909	/nfs/dbraw/zinc/21/39/09/684213909.db2.gz	LXSKLUOLKVRKBY-UHFFFAOYSA-N	0	0	316.528	2.095	10	5		DEBERN
CC[C@@](C)(O)CNc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-]	ZINC000195153272	685089154	/nfs/dbraw/zinc/08/91/54/685089154.db2.gz	RIQKZXSIJUUTHE-PMGBHYCQSA-N	0	0	308.334	2.354	10	5		DEBERN
Cn1nnnc1-c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000075302696	1080238362	/nfs/dbraw/zinc/23/83/62/1080238362.db2.gz	BLUPXZALEVISPF-UHFFFAOYSA-N	0	0	324.300	2.038	10	5		DEBERN
Cc1c([N+](=O)[O-])cc(C(=O)N(C)C[C@H]2CCCO2)cc1[N+](=O)[O-]	ZINC000076967477	185062513	/nfs/dbraw/zinc/06/25/13/185062513.db2.gz	IYYPYNKWTFANJX-LLVKDONJSA-N	0	0	323.305	2.062	10	5		DEBERN
Cn1cccc1[C@@H](O)CNC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000077101691	185108537	/nfs/dbraw/zinc/10/85/37/185108537.db2.gz	KAQXXUZAXHFCKQ-ZDUSSCGKSA-N	0	0	323.736	2.050	10	5		DEBERN
Cc1ccc([C@@H](C)NC(=O)NC[C@@H](O)C(C)C)cc1[N+](=O)[O-]	ZINC000176749121	282200651	/nfs/dbraw/zinc/20/06/51/282200651.db2.gz	IMPOQVGVUNQFBV-BXUZGUMPSA-N	0	0	309.366	2.280	10	5		DEBERN
O=[N+]([O-])c1nn([C@@H]2CCCCC[C@@H]2O)cc1Br	ZINC000088765777	185264552	/nfs/dbraw/zinc/26/45/52/185264552.db2.gz	WJQTWIVSOJGUGU-BDAKNGLRSA-N	0	0	304.144	2.420	10	5		DEBERN
COCC(C)(C)Nc1cc(C(=O)OC)c(F)cc1[N+](=O)[O-]	ZINC000167542810	197710247	/nfs/dbraw/zinc/71/02/47/197710247.db2.gz	LPRPKXRSUQUCAH-UHFFFAOYSA-N	0	0	300.286	2.357	10	5		DEBERN
CN(C)c1noc([C@H]2CCCN(c3ccc([N+](=O)[O-])cc3)C2)n1	ZINC000302419512	529819150	/nfs/dbraw/zinc/81/91/50/529819150.db2.gz	IPIBBXHRTRQBBY-NSHDSACASA-N	0	0	317.349	2.428	10	5		DEBERN
CC(C)c1ccc(CN2CCCNC(=O)[C@H]2C)cc1[N+](=O)[O-]	ZINC000189107109	282307826	/nfs/dbraw/zinc/30/78/26/282307826.db2.gz	GWXRNWHDZGTPFC-GFCCVEGCSA-N	0	0	305.378	2.429	10	5		DEBERN
CCc1nc(CNC(=O)c2cc([N+](=O)[O-])cnc2C)cs1	ZINC000107614548	185485819	/nfs/dbraw/zinc/48/58/19/185485819.db2.gz	MGGYPIDLGPRLQO-UHFFFAOYSA-N	0	0	306.347	2.247	10	5		DEBERN
COC(=O)c1ccc(OC[C@@H](O)CC(F)(F)F)cc1[N+](=O)[O-]	ZINC000615788272	362703047	/nfs/dbraw/zinc/70/30/47/362703047.db2.gz	YPMQCHFELHMYLB-ZETCQYMHSA-N	0	0	323.223	2.074	10	5		DEBERN
Cc1cc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c(C)[nH]1	ZINC000615879151	362723761	/nfs/dbraw/zinc/72/37/61/362723761.db2.gz	LMZUEBILOATYSE-UHFFFAOYSA-N	0	0	315.329	2.443	10	5		DEBERN
CCNc1cccc(NC2CCS(=O)(=O)CC2)c1[N+](=O)[O-]	ZINC000126804340	185894304	/nfs/dbraw/zinc/89/43/04/185894304.db2.gz	ILBMMVHVQWETEK-UHFFFAOYSA-N	0	0	313.379	2.016	10	5		DEBERN
CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[C@H]1C	ZINC000071211343	190942675	/nfs/dbraw/zinc/94/26/75/190942675.db2.gz	CHNFBJNOIACNSO-MWLCHTKSSA-N	0	0	313.379	2.103	10	5		DEBERN
O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1Cc2ccccc2[C@H]1O	ZINC000170993109	197862567	/nfs/dbraw/zinc/86/25/67/197862567.db2.gz	YKLAIQDHMXOTLV-HUUCEWRRSA-N	0	0	313.313	2.375	10	5		DEBERN
CNc1cc(C)c(S(=O)(=O)NC2CC(C)C2)cc1[N+](=O)[O-]	ZINC000163900875	186141747	/nfs/dbraw/zinc/14/17/47/186141747.db2.gz	KSXSVMBANLKQFB-UHFFFAOYSA-N	0	0	313.379	2.022	10	5		DEBERN
CCc1nnc(N2CCc3c(cccc3[N+](=O)[O-])C2)nc1CC	ZINC000617458918	363144176	/nfs/dbraw/zinc/14/41/76/363144176.db2.gz	DTDSZUJZVLNAJQ-UHFFFAOYSA-N	0	0	313.361	2.467	10	5		DEBERN
CC[C@@H](NS(=O)(=O)N(CC)CC)c1cccc([N+](=O)[O-])c1	ZINC000175110932	198429294	/nfs/dbraw/zinc/42/92/94/198429294.db2.gz	HNYCYMKZOXMNMX-CYBMUJFWSA-N	0	0	315.395	2.222	10	5		DEBERN
CC(C)(C)[C@@H](CO)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21	ZINC000183652080	199627113	/nfs/dbraw/zinc/62/71/13/199627113.db2.gz	UOIQRKBYXQXZFX-CYBMUJFWSA-N	0	0	305.334	2.213	10	5		DEBERN
Cc1cc(N[C@@H]2CCCN(c3ncccn3)C2)ncc1[N+](=O)[O-]	ZINC000074741496	191353373	/nfs/dbraw/zinc/35/33/73/191353373.db2.gz	GPHAAQLAFJVPDX-GFCCVEGCSA-N	0	0	314.349	2.169	10	5		DEBERN
O=[N+]([O-])c1cccc(S(=O)(=O)N(c2ccccn2)C2CC2)c1	ZINC000074817585	191365564	/nfs/dbraw/zinc/36/55/64/191365564.db2.gz	SIBTUGGICRSIRY-UHFFFAOYSA-N	0	0	319.342	2.348	10	5		DEBERN
CC(C)C(=O)N[C@@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1	ZINC000080975369	355397735	/nfs/dbraw/zinc/39/77/35/355397735.db2.gz	NWZWDDVGVHITKA-LLVKDONJSA-N	0	0	309.341	2.475	10	5		DEBERN
COc1cc(N2CCC[C@H](NC(=O)C(C)C)C2)ccc1[N+](=O)[O-]	ZINC000080975535	355398812	/nfs/dbraw/zinc/39/88/12/355398812.db2.gz	OEOFBVLAUUZNOZ-LBPRGKRZSA-N	0	0	321.377	2.344	10	5		DEBERN
Cc1ccc(N2CCCN(c3ccc([N+](=O)[O-])cc3)CC2)nn1	ZINC000091482056	355599004	/nfs/dbraw/zinc/59/90/04/355599004.db2.gz	YETKOZOSXYRYKY-UHFFFAOYSA-N	0	0	313.361	2.410	10	5		DEBERN
O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000093585019	355684564	/nfs/dbraw/zinc/68/45/64/355684564.db2.gz	FWBMDBCPNXKQRI-CJNGLKHVSA-N	0	0	306.362	2.427	10	5		DEBERN
Cc1c2ccn(S(=O)(=O)c3ccccc3)c2ncc1[N+](=O)[O-]	ZINC000116818616	355775170	/nfs/dbraw/zinc/77/51/70/355775170.db2.gz	FPCIAHSBXLGYHY-UHFFFAOYSA-N	0	0	317.326	2.490	10	5		DEBERN
O=C1CCc2cc([N+](=O)[O-])c(NCC[C@@H]3CCOC3)cc2N1	ZINC000318636665	356437541	/nfs/dbraw/zinc/43/75/41/356437541.db2.gz	CNPRJQOYNKDEGE-SNVBAGLBSA-N	0	0	305.334	2.318	10	5		DEBERN
CNc1c(Cl)cc(C(=O)N[C@@H](C)CCOC)cc1[N+](=O)[O-]	ZINC000081735545	192318897	/nfs/dbraw/zinc/31/88/97/192318897.db2.gz	BDVGSWYLLJBMMZ-QMMMGPOBSA-N	0	0	315.757	2.445	10	5		DEBERN
CCC(CC)(CC)NS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1	ZINC000086647083	192587925	/nfs/dbraw/zinc/58/79/25/192587925.db2.gz	DUMHDRCIWABZQP-UHFFFAOYSA-N	0	0	315.395	2.424	10	5		DEBERN
CO[C@]1(CO)CCCN(c2c(Cl)cccc2[N+](=O)[O-])C1	ZINC000401905869	356728628	/nfs/dbraw/zinc/72/86/28/356728628.db2.gz	HMJYPWRUTQUTGR-CYBMUJFWSA-N	0	0	300.742	2.226	10	5		DEBERN
CC(=O)N1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1	ZINC000593463971	358084789	/nfs/dbraw/zinc/08/47/89/358084789.db2.gz	GVNLHRJMROQCDL-NSHDSACASA-N	0	0	314.345	2.200	10	5		DEBERN
O=[N+]([O-])c1c(NCCO[C@@H]2CC2(F)F)nc2sccn21	ZINC000596448247	358688819	/nfs/dbraw/zinc/68/88/19/358688819.db2.gz	PSNQRAQGNFZPHS-ZCFIWIBFSA-N	0	0	304.278	2.140	10	5		DEBERN
CC/C(=C\Cn1cc(Br)c([N+](=O)[O-])n1)C(=O)OC	ZINC000089075475	192722690	/nfs/dbraw/zinc/72/26/90/192722690.db2.gz	WIAOTQAALNJPTE-QPJJXVBHSA-N	0	0	318.127	2.063	10	5		DEBERN
O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(C(F)F)nc1	ZINC000598873606	359348686	/nfs/dbraw/zinc/34/86/86/359348686.db2.gz	NLGGYXQEOGVOSG-UHFFFAOYSA-N	0	0	311.248	2.153	10	5		DEBERN
O=[N+]([O-])c1cc(Br)cnc1N1CC2(C1)CCCO2	ZINC000599144583	359414651	/nfs/dbraw/zinc/41/46/51/359414651.db2.gz	KEBPEUACXYBRIN-UHFFFAOYSA-N	0	0	314.139	2.122	10	5		DEBERN
CO[C@H]1C[C@@H](CNc2c(Br)cncc2[N+](=O)[O-])C1	ZINC000599206983	359434099	/nfs/dbraw/zinc/43/40/99/359434099.db2.gz	TYQXMRPTKNIXEY-OCAPTIKFSA-N	0	0	316.155	2.011	10	5		DEBERN
CC(=O)N1CC[C@@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1	ZINC000599112486	359405355	/nfs/dbraw/zinc/40/53/55/359405355.db2.gz	XCNIKKLXMDCXIG-GFCCVEGCSA-N	0	0	300.318	2.176	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CCO)c1ccco1	ZINC000187811651	200161076	/nfs/dbraw/zinc/16/10/76/200161076.db2.gz	OYMFSOXWMZTDCJ-CYBMUJFWSA-N	0	0	304.302	2.350	10	5		DEBERN
CCOCCOCCN(C)C(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000188599806	200273288	/nfs/dbraw/zinc/27/32/88/200273288.db2.gz	GKJAXDDADKANPT-UHFFFAOYSA-N	0	0	316.379	2.090	10	5		DEBERN
COc1cccc2c1OC[C@H](Nc1ccc([N+](=O)[O-])nc1)C2	ZINC000609797229	361339366	/nfs/dbraw/zinc/33/93/66/361339366.db2.gz	VTFCVHKYPRLLTQ-GFCCVEGCSA-N	0	0	301.302	2.414	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H](c3cnn(C)c3)C2)n1	ZINC000611616369	361645373	/nfs/dbraw/zinc/64/53/73/361645373.db2.gz	JEQHYIFDRDBWHB-LBPRGKRZSA-N	0	0	301.350	2.334	10	5		DEBERN
CCOc1ccc(C(=O)N2CCOCC3(CC3)C2)cc1[N+](=O)[O-]	ZINC000611814937	361688433	/nfs/dbraw/zinc/68/84/33/361688433.db2.gz	GPEIIFWRCQQDMB-UHFFFAOYSA-N	0	0	320.345	2.246	10	5		DEBERN
COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]([C@H]3CCOC3)C2)c1	ZINC000611762163	361677050	/nfs/dbraw/zinc/67/70/50/361677050.db2.gz	PQHAULYXCBFTNC-STQMWFEESA-N	0	0	320.345	2.244	10	5		DEBERN
Nc1cc(=O)[nH]c(SCc2cc(Cl)ccc2[N+](=O)[O-])n1	ZINC000092001062	193139854	/nfs/dbraw/zinc/13/98/54/193139854.db2.gz	HGSHAVXHBTZCEU-UHFFFAOYSA-N	0	0	312.738	2.206	10	5		DEBERN
COC(=O)CCCNc1ncc([N+](=O)[O-])cc1Br	ZINC000450219462	241562912	/nfs/dbraw/zinc/56/29/12/241562912.db2.gz	XYJBWRFDODGZFR-UHFFFAOYSA-N	0	0	318.127	2.117	10	5		DEBERN
COC(=O)c1cc(C)nc(N[C@@H]2CC23CCOCC3)c1[N+](=O)[O-]	ZINC000450800549	242243429	/nfs/dbraw/zinc/24/34/29/242243429.db2.gz	ZDTWWGHJSDSELT-LLVKDONJSA-N	0	0	321.333	2.066	10	5		DEBERN
C[C@@H](O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1Br	ZINC000092153242	193168739	/nfs/dbraw/zinc/16/87/39/193168739.db2.gz	ISCSZKQVHZGJIR-SSDOTTSWSA-N	0	0	317.139	2.457	10	5		DEBERN
[NH3+][C@@]1(C(=O)[O-])CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2Cl)C1	ZINC000093775526	193304946	/nfs/dbraw/zinc/30/49/46/193304946.db2.gz	PVRWNGMCDVKEPQ-RNCFNFMXSA-N	0	0	314.725	2.352	10	5		DEBERN
CC1(C)CCC[C@@H](S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1[NH3+]	ZINC000094281648	193356439	/nfs/dbraw/zinc/35/64/39/193356439.db2.gz	AZVABGDSQUAPFE-OLZOCXBDSA-N	0	0	312.391	2.275	10	5		DEBERN
C[C@@H](O)CCC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1	ZINC000094189010	193347975	/nfs/dbraw/zinc/34/79/75/193347975.db2.gz	KEPARFRYDRYMKZ-SSDOTTSWSA-N	0	0	317.139	2.457	10	5		DEBERN
C[C@@](N)(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(F)(F)F	ZINC000094233198	193352719	/nfs/dbraw/zinc/35/27/19/193352719.db2.gz	PSGCTPKJMIOLSD-SECBINFHSA-N	0	0	311.647	2.466	10	5		DEBERN
CCCC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1C	ZINC000094780619	193397790	/nfs/dbraw/zinc/39/77/90/193397790.db2.gz	AFFZPMNOWYJFME-SNVBAGLBSA-N	0	0	315.395	2.342	10	5		DEBERN
C/C=C/CCNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1F	ZINC000161842383	197522910	/nfs/dbraw/zinc/52/29/10/197522910.db2.gz	KUJLOKHPQVPWAL-NSCUHMNNSA-N	0	0	306.290	2.118	10	5		DEBERN
O=C(NO[C@H]1CCCCO1)c1c[nH]c2ccc([N+](=O)[O-])cc21	ZINC000101669649	193834511	/nfs/dbraw/zinc/83/45/11/193834511.db2.gz	PQXTYBBQDDZWOE-ZDUSSCGKSA-N	0	0	305.290	2.264	10	5		DEBERN
COc1ccccc1Nc1ncnc(-n2ccnc2)c1[N+](=O)[O-]	ZINC000040648465	183114201	/nfs/dbraw/zinc/11/42/01/183114201.db2.gz	KURONBJWTSJLQP-UHFFFAOYSA-N	0	0	312.289	2.323	10	5		DEBERN
Cc1cc(C)n(-c2ncnc(Oc3cccnc3)c2[N+](=O)[O-])n1	ZINC000040660471	183114807	/nfs/dbraw/zinc/11/48/07/183114807.db2.gz	BRUAYLNMPLBUPD-UHFFFAOYSA-N	0	0	312.289	2.375	10	5		DEBERN
COC(=O)c1ccc(Oc2ncnc(N(C)C)c2[N+](=O)[O-])cc1	ZINC000040587557	183106089	/nfs/dbraw/zinc/10/60/89/183106089.db2.gz	WGGHTIOFAVVJMD-UHFFFAOYSA-N	0	0	318.289	2.030	10	5		DEBERN
COc1ccc(C[S@@](=O)c2ccc(N)cc2)cc1[N+](=O)[O-]	ZINC000042197170	183241063	/nfs/dbraw/zinc/24/10/63/183241063.db2.gz	ZNHVDMMIHIASID-NRFANRHFSA-N	0	0	306.343	2.493	10	5		DEBERN
CC(C)C[C@H]([NH2+]Cc1cc([N+](=O)[O-])c(F)cc1F)C(=O)[O-]	ZINC000043434282	183363219	/nfs/dbraw/zinc/36/32/19/183363219.db2.gz	RHIMVUXWKSJVMC-NSHDSACASA-N	0	0	302.277	2.462	10	5		DEBERN
CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2Br)C1	ZINC000043596736	183375433	/nfs/dbraw/zinc/37/54/33/183375433.db2.gz	MPLAYZCWZYMUNR-MRVPVSSYSA-N	0	0	300.156	2.473	10	5		DEBERN
O=C(NCc1cccnc1-n1ccnc1)c1ccc([N+](=O)[O-])cc1	ZINC000044895252	183451353	/nfs/dbraw/zinc/45/13/53/183451353.db2.gz	LVMJJCPKIPBVAJ-UHFFFAOYSA-N	0	0	323.312	2.106	10	5		DEBERN
C[C@@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@H]1CCCO1	ZINC000046973384	183576596	/nfs/dbraw/zinc/57/65/96/183576596.db2.gz	GKSPAVMMBZOHSP-BXUZGUMPSA-N	0	0	307.350	2.304	10	5		DEBERN
CCOCC(=O)Nc1cc([N+](=O)[O-])ccc1Br	ZINC000159528152	197360551	/nfs/dbraw/zinc/36/05/51/197360551.db2.gz	VINMXBUZGWMVKF-UHFFFAOYSA-N	0	0	303.112	2.332	10	5		DEBERN
Cc1cnn(C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)CCO2)c1	ZINC000105891518	194159176	/nfs/dbraw/zinc/15/91/76/194159176.db2.gz	NZTONMFNDMVWIX-MRXNPFEDSA-N	0	0	316.361	2.001	10	5		DEBERN
CCCCCN(C)S(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F	ZINC000050652889	183795016	/nfs/dbraw/zinc/79/50/16/183795016.db2.gz	DLIFWAXBUYPCEN-UHFFFAOYSA-N	0	0	319.358	2.127	10	5		DEBERN
COC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1	ZINC000052973839	183882715	/nfs/dbraw/zinc/88/27/15/183882715.db2.gz	YUHHUQDPAUWWIY-NSHDSACASA-N	0	0	318.285	2.222	10	5		DEBERN
CC[C@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCN1C	ZINC000110732707	194355048	/nfs/dbraw/zinc/35/50/48/194355048.db2.gz	KCWVWZCOZYMACA-NSHDSACASA-N	0	0	311.769	2.414	10	5		DEBERN
COC(=O)CCCCCNC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000054532939	183943919	/nfs/dbraw/zinc/94/39/19/183943919.db2.gz	KZZUIKCZISMCHJ-UHFFFAOYSA-N	0	0	309.322	2.450	10	5		DEBERN
Cc1nc(NC(=O)c2cccc(NN)c2[N+](=O)[O-])sc1C	ZINC000157126350	197163580	/nfs/dbraw/zinc/16/35/80/197163580.db2.gz	QMRSKICYNZBMJX-UHFFFAOYSA-N	0	0	307.335	2.206	10	5		DEBERN
COC(=O)C1(N(C)C(=O)c2ccc([N+](=O)[O-])cc2C)CCCC1	ZINC000118962418	194946398	/nfs/dbraw/zinc/94/63/98/194946398.db2.gz	GUPFIIKJMCBAHO-UHFFFAOYSA-N	0	0	320.345	2.461	10	5		DEBERN
COC(=O)[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000175378820	291825088	/nfs/dbraw/zinc/82/50/88/291825088.db2.gz	SKOMDYXBFJBPFQ-SECBINFHSA-N	0	0	312.347	2.132	10	5		DEBERN
CC1(C)CN(C(=O)c2cc(N)c(F)cc2[N+](=O)[O-])CCS1	ZINC000159068455	197324871	/nfs/dbraw/zinc/32/48/71/197324871.db2.gz	XMFVYZFPBMYXSI-UHFFFAOYSA-N	0	0	313.354	2.284	10	5		DEBERN
COCCc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n(C)n1	ZINC000156629726	197128927	/nfs/dbraw/zinc/12/89/27/197128927.db2.gz	QGFJAXWYLAMWIA-UHFFFAOYSA-N	0	0	318.333	2.078	10	5		DEBERN
COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)C[C@@H]1CCCO1	ZINC000156111131	197087759	/nfs/dbraw/zinc/08/77/59/197087759.db2.gz	ADIHPKUBSXONJN-NSHDSACASA-N	0	0	309.322	2.246	10	5		DEBERN
C[C@@H](C(=O)N(C)CC1(CO)CC1)c1ccc([N+](=O)[O-])cc1F	ZINC000189130536	533172761	/nfs/dbraw/zinc/17/27/61/533172761.db2.gz	ODTBMNSGLLSHJW-SNVBAGLBSA-N	0	0	310.325	2.068	10	5		DEBERN
Cc1cc(NN)nc(COc2ccc([N+](=O)[O-])cc2Cl)n1	ZINC000122014026	195390910	/nfs/dbraw/zinc/39/09/10/195390910.db2.gz	KRGQWFNLTYCEIB-UHFFFAOYSA-N	0	0	309.713	2.211	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](CCO)CC(C)C	ZINC000176297414	132518336	/nfs/dbraw/zinc/51/83/36/132518336.db2.gz	IUUVFJFUIHWTBP-GFCCVEGCSA-N	0	0	309.366	2.073	10	5		DEBERN
CCC(=O)N[C@H]1CCCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])C1	ZINC000358220101	133129244	/nfs/dbraw/zinc/12/92/44/133129244.db2.gz	YPIUTAQVMCIMSP-LBPRGKRZSA-N	0	0	319.361	2.034	10	5		DEBERN
CCOc1ccc(C(=O)NC[C@@]2(O)CCC[C@@H]2C)cc1[N+](=O)[O-]	ZINC000359787859	133145011	/nfs/dbraw/zinc/14/50/11/133145011.db2.gz	GOXZNACIYUWFKF-ZBEGNZNMSA-N	0	0	322.361	2.274	10	5		DEBERN
COc1cccc(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)n1	ZINC000128524526	195971061	/nfs/dbraw/zinc/97/10/61/195971061.db2.gz	NOMOTYRIUIDJGQ-UHFFFAOYSA-N	0	0	301.302	2.237	10	5		DEBERN
O=C(c1cc([N+](=O)[O-])ccc1Cl)N1C[C@H]2CCC[C@@H](C1)C2O	ZINC000178779741	144865304	/nfs/dbraw/zinc/86/53/04/144865304.db2.gz	CVBGOZRKPFWXFW-XFLKPENQSA-N	0	0	324.764	2.481	10	5		DEBERN
O=C(N[C@@H]1C[C@H]2OCCC[C@H]12)c1cc(F)c(F)cc1[N+](=O)[O-]	ZINC000188658028	145015452	/nfs/dbraw/zinc/01/54/52/145015452.db2.gz	QFFHWJLHPOEOKM-TWPQKTAQSA-N	0	0	312.272	2.170	10	5		DEBERN
O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cc(F)ccc1[N+](=O)[O-]	ZINC000246127481	145093089	/nfs/dbraw/zinc/09/30/89/145093089.db2.gz	OSOGOAKRYUVJGF-LERXQTSPSA-N	0	0	320.320	2.421	10	5		DEBERN
CO[C@@H]1CC[C@H]2OCCN(Cc3cccc([N+](=O)[O-])c3)[C@H]2C1	ZINC000247150031	145127438	/nfs/dbraw/zinc/12/74/38/145127438.db2.gz	XJHFUYYKFLSGMD-OWCLPIDISA-N	0	0	306.362	2.363	10	5		DEBERN
O=C(Cn1ncc2ccccc21)NCCc1ccccc1[N+](=O)[O-]	ZINC000358894208	147226148	/nfs/dbraw/zinc/22/61/48/147226148.db2.gz	DVOGJTFZZWLPIY-UHFFFAOYSA-N	0	0	324.340	2.303	10	5		DEBERN
C/C=C\C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OCC	ZINC000361534098	147532585	/nfs/dbraw/zinc/53/25/85/147532585.db2.gz	URKKUXRIEGTURO-HSBHDXMMSA-N	0	0	306.318	2.223	10	5		DEBERN
C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](C2CC2)C1	ZINC000375327736	148358993	/nfs/dbraw/zinc/35/89/93/148358993.db2.gz	KKDAULABOOMMDE-XHDPSFHLSA-N	0	0	319.361	2.033	10	5		DEBERN
Cc1ccc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1[N+](=O)[O-]	ZINC000004892984	401727473	/nfs/dbraw/zinc/72/74/73/401727473.db2.gz	KNBCCCSPBSJIQQ-DJBIQUGXSA-N	0	0	300.314	2.439	10	5		DEBERN
CNC(=O)Cc1nc(CNc2cccc([N+](=O)[O-])c2C)cs1	ZINC000129283641	401801598	/nfs/dbraw/zinc/80/15/98/401801598.db2.gz	WUSNCQORIHACPM-UHFFFAOYSA-N	0	0	320.374	2.260	10	5		DEBERN
C[C@@H](CO)[C@H](C)NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1	ZINC000077839465	401834669	/nfs/dbraw/zinc/83/46/69/401834669.db2.gz	ZYVZFIDMEJHOAS-STQMWFEESA-N	0	0	323.393	2.234	10	5		DEBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H]1c1ccco1	ZINC000116040307	401840681	/nfs/dbraw/zinc/84/06/81/401840681.db2.gz	YOCGECUZJUFCRF-LLVKDONJSA-N	0	0	304.306	2.056	10	5		DEBERN
Cn1cc([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)C2)cn1	ZINC000116118223	401842447	/nfs/dbraw/zinc/84/24/47/401842447.db2.gz	IZMINPGLSCAQPD-VIFPVBQESA-N	0	0	306.347	2.020	10	5		DEBERN
Cn1ccnc1-c1cc(NC(=O)c2ccc([N+](=O)[O-])s2)n[nH]1	ZINC000119901825	401970699	/nfs/dbraw/zinc/97/06/99/401970699.db2.gz	INBTUUMLEDEHSI-UHFFFAOYSA-N	0	0	318.318	2.032	10	5		DEBERN
CC(=O)c1cnc(NC(=O)c2cc([N+](=O)[O-])cnc2C)s1	ZINC000135460757	401940741	/nfs/dbraw/zinc/94/07/41/401940741.db2.gz	KPKAXYVYQBCZDG-UHFFFAOYSA-N	0	0	306.303	2.210	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1(O)CCCCCC1	ZINC000135646207	401949615	/nfs/dbraw/zinc/94/96/15/401949615.db2.gz	HNEKKBOXYJMMGC-UHFFFAOYSA-N	0	0	307.350	2.113	10	5		DEBERN
Cc1cccc(CNS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n1	ZINC000055276997	402078854	/nfs/dbraw/zinc/07/88/54/402078854.db2.gz	QVLULHVJMAECOL-UHFFFAOYSA-N	0	0	321.358	2.085	10	5		DEBERN
Cc1ccc(NCCCNC(=O)N[C@H]2C[C@H]2C)c([N+](=O)[O-])c1	ZINC000154109982	402193184	/nfs/dbraw/zinc/19/31/84/402193184.db2.gz	JHRWOSPHJRREMQ-YPMHNXCESA-N	0	0	306.366	2.413	10	5		DEBERN
CCC(=O)N1CSC[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000102718521	402170897	/nfs/dbraw/zinc/17/08/97/402170897.db2.gz	UOOLRBCAYZJQTM-GFCCVEGCSA-N	0	0	323.374	2.153	10	5		DEBERN
COC(=O)N[C@@H](C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C(C)C	ZINC000108153110	402247688	/nfs/dbraw/zinc/24/76/88/402247688.db2.gz	CSXBMWPLQHWRNX-LLVKDONJSA-N	0	0	313.285	2.053	10	5		DEBERN
CN(C[C@@H]1CCCN1c1cccnn1)c1ccc([N+](=O)[O-])cc1	ZINC000108946923	402265021	/nfs/dbraw/zinc/26/50/21/402265021.db2.gz	BPYDDURSFJRJLG-HNNXBMFYSA-N	0	0	313.361	2.490	10	5		DEBERN
Cc1cc(C)n(C[C@H]2CN(c3ccc([N+](=O)[O-])cc3)CCO2)n1	ZINC000108950965	402265110	/nfs/dbraw/zinc/26/51/10/402265110.db2.gz	IBHCLNUJHGBCBK-MRXNPFEDSA-N	0	0	316.361	2.314	10	5		DEBERN
O=[N+]([O-])c1ccc(N[C@H]2CCc3ncnn3C2)c2ncccc12	ZINC000108947892	402265142	/nfs/dbraw/zinc/26/51/42/402265142.db2.gz	IPPCKCCBNHAOAZ-JTQLQIEISA-N	0	0	310.317	2.161	10	5		DEBERN
CCS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Br	ZINC000070238049	402259050	/nfs/dbraw/zinc/25/90/50/402259050.db2.gz	UELFCLWFDVERKE-UHFFFAOYSA-N	0	0	309.141	2.119	10	5		DEBERN
CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000184714540	402294156	/nfs/dbraw/zinc/29/41/56/402294156.db2.gz	GMXWODOYJQKGOD-WDEREUQCSA-N	0	0	308.334	2.221	10	5		DEBERN
CC(C)CC(=O)N1CCC(Cn2cc([N+](=O)[O-])ccc2=O)CC1	ZINC000184962382	402313076	/nfs/dbraw/zinc/31/30/76/402313076.db2.gz	ZNGGIDNQJRVZJN-UHFFFAOYSA-N	0	0	321.377	2.041	10	5		DEBERN
COc1ccc(OC)c([N+](=O)[O-])c1I	ZINC000224474085	402314015	/nfs/dbraw/zinc/31/40/15/402314015.db2.gz	HSBFYPGOVCPEDA-UHFFFAOYSA-N	0	0	309.059	2.217	10	5		DEBERN
C[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)c1ccc(F)c(F)c1	ZINC000160332731	402340898	/nfs/dbraw/zinc/34/08/98/402340898.db2.gz	YNXRTTWULQCHLU-SSDOTTSWSA-N	0	0	310.260	2.098	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])o1)N1CCO[C@@H](c2cccs2)C1	ZINC000161380955	402385308	/nfs/dbraw/zinc/38/53/08/402385308.db2.gz	PRPMVNQXEWTOLA-SNVBAGLBSA-N	0	0	308.315	2.463	10	5		DEBERN
COc1cccc(NCCNC(=O)c2ccccc2)c1[N+](=O)[O-]	ZINC000185151251	402328941	/nfs/dbraw/zinc/32/89/41/402328941.db2.gz	DMKPPVVPMXZPMH-UHFFFAOYSA-N	0	0	315.329	2.445	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1Cn1ccnc1	ZINC000177809909	402438420	/nfs/dbraw/zinc/43/84/20/402438420.db2.gz	VKRCFRHXZNZLBM-CQSZACIVSA-N	0	0	300.318	2.096	10	5		DEBERN
COc1cc(C(=O)N(C)[C@@H](CO)CC(C)C)ccc1[N+](=O)[O-]	ZINC000186661175	402452985	/nfs/dbraw/zinc/45/29/85/402452985.db2.gz	HESAMMKVNGUCFU-GFCCVEGCSA-N	0	0	310.350	2.082	10	5		DEBERN
CO[C@@H]1C[C@@H](c2nc(C)no2)N(c2ccc([N+](=O)[O-])cc2)C1	ZINC000190084706	402574758	/nfs/dbraw/zinc/57/47/58/402574758.db2.gz	PQXUGJLOQZCTCH-OLZOCXBDSA-N	0	0	304.306	2.253	10	5		DEBERN
COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000189903119	402565892	/nfs/dbraw/zinc/56/58/92/402565892.db2.gz	PJXQEUSDNRXRFD-XBFCOCLRSA-N	0	0	318.329	2.009	10	5		DEBERN
CC[C@H](CSC)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000180153152	402609218	/nfs/dbraw/zinc/60/92/18/402609218.db2.gz	JXRRSDZFZVWHCL-MRVPVSSYSA-N	0	0	324.449	2.418	10	5		DEBERN
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCCCO2)c1	ZINC000190787624	402623327	/nfs/dbraw/zinc/62/33/27/402623327.db2.gz	SLLTYUFJVIPZBH-UHFFFAOYSA-N	0	0	320.754	2.273	10	5		DEBERN
COC[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccccc1	ZINC000171317922	402577404	/nfs/dbraw/zinc/57/74/04/402577404.db2.gz	DQEMFEWHUIQTNQ-OAHLLOKOSA-N	0	0	315.329	2.416	10	5		DEBERN
COc1cc(CN2[C@H](C)CC(O)C[C@H]2C)c([N+](=O)[O-])cc1F	ZINC000191176960	402648811	/nfs/dbraw/zinc/64/88/11/402648811.db2.gz	UCGZDAQXLPYQRL-NXEZZACHSA-N	0	0	312.341	2.476	10	5		DEBERN
CC[C@@H](NCc1nc(CCOC)no1)c1cccc([N+](=O)[O-])c1	ZINC000181538258	402648928	/nfs/dbraw/zinc/64/89/28/402648928.db2.gz	FKWRJXZUAZVSTN-CYBMUJFWSA-N	0	0	320.349	2.408	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1C(=O)NC1CC1	ZINC000183276309	402751969	/nfs/dbraw/zinc/75/19/69/402751969.db2.gz	PPQSOIBLTCYRJP-HNNXBMFYSA-N	0	0	303.362	2.146	10	5		DEBERN
Cc1cc(COCC(=O)Nc2cc([N+](=O)[O-])ccc2C)on1	ZINC000193279989	402769835	/nfs/dbraw/zinc/76/98/35/402769835.db2.gz	SOHDMHZFPLLLBE-UHFFFAOYSA-N	0	0	305.290	2.355	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1COc2ccccc21	ZINC000194864534	402819113	/nfs/dbraw/zinc/81/91/13/402819113.db2.gz	LEHRDCIXAYTVPG-CYBMUJFWSA-N	0	0	314.297	2.467	10	5		DEBERN
COc1ccccc1CCNC(=O)c1cc([N+](=O)[O-])cnc1C	ZINC000195080219	402830577	/nfs/dbraw/zinc/83/05/77/402830577.db2.gz	WURJRFATTHGNAC-UHFFFAOYSA-N	0	0	315.329	2.279	10	5		DEBERN
O=[N+]([O-])c1ccc(N2CCC[C@@H]2Cn2ccnc2)c([N+](=O)[O-])c1	ZINC000267443772	403039172	/nfs/dbraw/zinc/03/91/72/403039172.db2.gz	ZGSXVPPEPYANQY-GFCCVEGCSA-N	0	0	317.305	2.369	10	5		DEBERN
Cn1cc([C@]2(C)CN(c3ccc(F)cc3[N+](=O)[O-])CCO2)cn1	ZINC000268422711	403081508	/nfs/dbraw/zinc/08/15/08/403081508.db2.gz	XSGCFIYRQSYVJD-HNNXBMFYSA-N	0	0	320.324	2.219	10	5		DEBERN
Cc1cccnc1CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	ZINC000301207336	403600870	/nfs/dbraw/zinc/60/08/70/403600870.db2.gz	SEXOEPGAUALGJB-UHFFFAOYSA-N	0	0	314.301	2.241	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(N2CCC(c3ccnn3C)CC2)n1	ZINC000178204029	292285182	/nfs/dbraw/zinc/28/51/82/292285182.db2.gz	GBDMAEFBQHIAHN-UHFFFAOYSA-N	0	0	301.350	2.416	10	5		DEBERN
CCC1(CC)CN(c2ccc([N+](=O)[O-])c(C)n2)CC[S@@]1=O	ZINC000302217387	403709218	/nfs/dbraw/zinc/70/92/18/403709218.db2.gz	JQANNCGKILVQAR-NRFANRHFSA-N	0	0	311.407	2.426	10	5		DEBERN
C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCS(=O)(=O)[C@@H](C)C1	ZINC000347381891	403687283	/nfs/dbraw/zinc/68/72/83/403687283.db2.gz	XAYDAZQIFUHGGL-FSBNRTBOSA-N	0	0	324.402	2.117	10	5		DEBERN
COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](C)[C@@H](OC)C2)c1	ZINC000302532140	403711583	/nfs/dbraw/zinc/71/15/83/403711583.db2.gz	FPDYCZZMUVNTOU-HZMBPMFUSA-N	0	0	308.334	2.243	10	5		DEBERN
C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(C(N)=O)co1	ZINC000344803094	404377360	/nfs/dbraw/zinc/37/73/60/404377360.db2.gz	AGLBEUYCBWFKCL-WZUFQYTHSA-N	0	0	315.329	2.480	10	5		DEBERN
Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@@H]2C)cc([N+](=O)[O-])c1F	ZINC000297086258	404444527	/nfs/dbraw/zinc/44/45/27/404444527.db2.gz	NRTBIBSTLIUFRB-BDAKNGLRSA-N	0	0	302.327	2.071	10	5		DEBERN
CC(C)c1ccc(C(=O)N2CC(n3ccnn3)C2)cc1[N+](=O)[O-]	ZINC000364753705	404529078	/nfs/dbraw/zinc/52/90/78/404529078.db2.gz	HJQAWEIKXPKNOS-UHFFFAOYSA-N	0	0	315.333	2.007	10	5		DEBERN
Cn1ccnc1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1	ZINC000360884186	404844442	/nfs/dbraw/zinc/84/44/42/404844442.db2.gz	QFOVMBSUKRZBAN-LBPRGKRZSA-N	0	0	301.350	2.182	10	5		DEBERN
O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H]2CCC[C@@H]21	ZINC000408158651	405126607	/nfs/dbraw/zinc/12/66/07/405126607.db2.gz	LTURKTYOMIWXDN-RNCFNFMXSA-N	0	0	300.318	2.486	10	5		DEBERN
O=[N+]([O-])c1ccc(N2CC[C@H](c3nc(C4CC4)no3)C2)cn1	ZINC000450513334	405938316	/nfs/dbraw/zinc/93/83/16/405938316.db2.gz	AKJBYJUIBLURAL-JTQLQIEISA-N	0	0	301.306	2.244	10	5		DEBERN
CC(=O)N(C)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1	ZINC000532395975	406073785	/nfs/dbraw/zinc/07/37/85/406073785.db2.gz	MXRWJPJCMBNYRT-UHFFFAOYSA-N	0	0	314.301	2.225	10	5		DEBERN
O=[N+]([O-])c1ccc(N[C@H]2CCCC[C@H]2N2CCOCC2)cn1	ZINC000521718165	406363973	/nfs/dbraw/zinc/36/39/73/406363973.db2.gz	JZNIWNOFMOTVFB-UONOGXRCSA-N	0	0	306.366	2.045	10	5		DEBERN
C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cc([N+](=O)[O-])cn1C	ZINC000548421098	406513815	/nfs/dbraw/zinc/51/38/15/406513815.db2.gz	OKDLLTOMEGIYQJ-APPZFPTMSA-N	0	0	305.256	2.346	10	5		DEBERN
COc1ccc([N+](=O)[O-])c(C(=O)NCCOCC2CCC2)c1	ZINC000569299188	292402811	/nfs/dbraw/zinc/40/28/11/292402811.db2.gz	WKFHPHUBTXLBDW-UHFFFAOYSA-N	0	0	308.334	2.150	10	5		DEBERN
O=c1c(I)c[nH]c2cc([N+](=O)[O-])ccc12	ZINC000575434330	406810480	/nfs/dbraw/zinc/81/04/80/406810480.db2.gz	NXGJGGQNLKMBDQ-UHFFFAOYSA-N	0	0	316.054	2.041	10	5		DEBERN
CCOc1cc(I)cc(C=O)c1[N+](=O)[O-]	ZINC000575698302	406819734	/nfs/dbraw/zinc/81/97/34/406819734.db2.gz	JXHCXNDEQOTMOC-UHFFFAOYSA-N	0	0	321.070	2.411	10	5		DEBERN
COc1ccc(I)c([N+](=O)[O-])c1C=O	ZINC000575728053	406825270	/nfs/dbraw/zinc/82/52/70/406825270.db2.gz	MQQJECBKPLIUMQ-UHFFFAOYSA-N	0	0	307.043	2.021	10	5		DEBERN
O=C(NCCOCC1CCC1)NCc1ccccc1[N+](=O)[O-]	ZINC000555233066	406837270	/nfs/dbraw/zinc/83/72/70/406837270.db2.gz	DJPWBJOJVCTBDC-UHFFFAOYSA-N	0	0	307.350	2.211	10	5		DEBERN
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)C1	ZINC000129850717	196081118	/nfs/dbraw/zinc/08/11/18/196081118.db2.gz	VPQVKNXHOWDADO-UWVGGRQHSA-N	0	0	316.354	2.401	10	5		DEBERN
COC(=O)[C@H]1CCN1c1ccc(Br)c([N+](=O)[O-])c1	ZINC000130971077	196127305	/nfs/dbraw/zinc/12/73/05/196127305.db2.gz	PLENFMSVMDQMMS-SECBINFHSA-N	0	0	315.123	2.109	10	5		DEBERN
CC[C@@H](C)[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131199549	196148596	/nfs/dbraw/zinc/14/85/96/196148596.db2.gz	ZPNSXAPYSIYFPF-RKDXNWHRSA-N	0	0	304.343	2.447	10	5		DEBERN
C[C@@H]1CC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2F)C1	ZINC000131937132	196212146	/nfs/dbraw/zinc/21/21/46/196212146.db2.gz	BSIXKWOROAFNNX-BDAKNGLRSA-N	0	0	302.327	2.201	10	5		DEBERN
CNc1cc(S(=O)(=O)N[C@H]2CCC[C@@H]2C)ccc1[N+](=O)[O-]	ZINC000132594804	196269295	/nfs/dbraw/zinc/26/92/95/196269295.db2.gz	ZRWJEEYCTZJXBS-ONGXEEELSA-N	0	0	313.379	2.103	10	5		DEBERN
CC(C)CONS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000134150749	196366102	/nfs/dbraw/zinc/36/61/02/196366102.db2.gz	INFGBTXQDHQRIG-UHFFFAOYSA-N	0	0	308.743	2.114	10	5		DEBERN
CSC[C@H](C)CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-]	ZINC000137972310	196582352	/nfs/dbraw/zinc/58/23/52/196582352.db2.gz	HCPADXNNKHHFKE-SECBINFHSA-N	0	0	318.420	2.409	10	5		DEBERN
COC(=O)CN(C(=O)c1ccc([N+](=O)[O-])cc1C)C1CCCC1	ZINC000151165458	196641102	/nfs/dbraw/zinc/64/11/02/196641102.db2.gz	RVANSAXAXRIWGK-UHFFFAOYSA-N	0	0	320.345	2.461	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCCc2ccccc2Cl)n1	ZINC000191578595	225113224	/nfs/dbraw/zinc/11/32/24/225113224.db2.gz	RXGQDZCYKVXHIB-UHFFFAOYSA-N	0	0	322.752	2.437	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCc3ccccc32)n1	ZINC000191611003	225113491	/nfs/dbraw/zinc/11/34/91/225113491.db2.gz	XTZYQNAHYOKEIT-LBPRGKRZSA-N	0	0	314.345	2.271	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2nc(C)cs2)n1	ZINC000191595143	225113520	/nfs/dbraw/zinc/11/35/20/225113520.db2.gz	LMKWGEXWRHETBN-QMMMGPOBSA-N	0	0	309.351	2.067	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)c2ccccn2)n1	ZINC000191579080	225113860	/nfs/dbraw/zinc/11/38/60/225113860.db2.gz	INFHKWKNEUZKRF-JTQLQIEISA-N	0	0	303.322	2.039	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)c2cccc(O)c2)n1	ZINC000191846005	225117835	/nfs/dbraw/zinc/11/78/35/225117835.db2.gz	KRXOFMAXSAWOQC-JTQLQIEISA-N	0	0	318.333	2.350	10	5		DEBERN
Cn1c(Cn2cc([N+](=O)[O-])c(C3CC3)n2)nnc1C1CCC1	ZINC000195049563	225197165	/nfs/dbraw/zinc/19/71/65/225197165.db2.gz	BUURNTFBYAOZGX-UHFFFAOYSA-N	0	0	302.338	2.113	10	5		DEBERN
CSC1(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CCC1	ZINC000517272006	269382192	/nfs/dbraw/zinc/38/21/92/269382192.db2.gz	RLFXXGIEXJUYCI-UHFFFAOYSA-N	0	0	307.375	2.160	10	5		DEBERN
CC(C)c1n[nH]c(C(=O)N2CCC[C@H]3COCC[C@H]32)c1[N+](=O)[O-]	ZINC000408003081	276040725	/nfs/dbraw/zinc/04/07/25/276040725.db2.gz	IEYRUUVNZZXPJS-WDEREUQCSA-N	0	0	322.365	2.082	10	5		DEBERN
CC(=O)c1ccc(N2CCc3cc[nH]c(=O)c3C2)c([N+](=O)[O-])c1	ZINC000276904031	278247651	/nfs/dbraw/zinc/24/76/51/278247651.db2.gz	MCIXBHYHIBUSKP-UHFFFAOYSA-N	0	0	313.313	2.461	10	5		DEBERN
CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000158289101	279132964	/nfs/dbraw/zinc/13/29/64/279132964.db2.gz	FLSMRVJMQAJVKL-LLVKDONJSA-N	0	0	309.366	2.007	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1CNc1cccnc1-n1cncn1	ZINC000188459711	280661144	/nfs/dbraw/zinc/66/11/44/280661144.db2.gz	LLHQAQPRXMWKAC-UHFFFAOYSA-N	0	0	310.317	2.491	10	5		DEBERN
CC1(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)COC1	ZINC000122030735	281767086	/nfs/dbraw/zinc/76/70/86/281767086.db2.gz	VJLZTGVMDIHSBB-UHFFFAOYSA-N	0	0	319.361	2.305	10	5		DEBERN
C[C@H](C(=O)N1CCCn2nccc21)c1cccc([N+](=O)[O-])c1	ZINC000574350685	326146479	/nfs/dbraw/zinc/14/64/79/326146479.db2.gz	BFVRLTDUCHVJAJ-NSHDSACASA-N	0	0	300.318	2.332	10	5		DEBERN
CC[C@@H](NC(=O)Cc1cc(C)[nH]n1)c1cccc([N+](=O)[O-])c1	ZINC000127120310	522695842	/nfs/dbraw/zinc/69/58/42/522695842.db2.gz	IDKGCCLMGHLONM-CQSZACIVSA-N	0	0	302.334	2.436	10	5		DEBERN
CC(C)(CC1CCCCCC1)NC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000444580363	526983632	/nfs/dbraw/zinc/98/36/32/526983632.db2.gz	KESDLRXKLUENAK-UHFFFAOYSA-N	0	0	323.397	2.442	10	5		DEBERN
CCCN(C[C@H]1CCCCO1)C(=O)c1nn(CC)cc1[N+](=O)[O-]	ZINC000191603680	528128020	/nfs/dbraw/zinc/12/80/20/528128020.db2.gz	QBCLSXXCAMFBJG-GFCCVEGCSA-N	0	0	324.381	2.233	10	5		DEBERN
CCOc1ccc(C(=O)N(C)CCCCCO)cc1[N+](=O)[O-]	ZINC000447709099	528389108	/nfs/dbraw/zinc/38/91/08/528389108.db2.gz	JFOMDILPJNKOSO-UHFFFAOYSA-N	0	0	310.350	2.228	10	5		DEBERN
CCN(Cc1ccccc1)C(=O)c1nn(CC)cc1[N+](=O)[O-]	ZINC000191453216	528829250	/nfs/dbraw/zinc/82/92/50/528829250.db2.gz	OXDBVFNCWAQSPM-UHFFFAOYSA-N	0	0	302.334	2.474	10	5		DEBERN
CCOc1ccc(C(=O)N[C@@H](C)CC(C)(C)O)cc1[N+](=O)[O-]	ZINC000456092203	535706818	/nfs/dbraw/zinc/70/68/18/535706818.db2.gz	ZEEOZKUMQQESLD-JTQLQIEISA-N	0	0	310.350	2.273	10	5		DEBERN
CCc1n[nH]c(C(=O)N2CCC[C@H]2c2ccco2)c1[N+](=O)[O-]	ZINC000192583288	535999633	/nfs/dbraw/zinc/99/96/33/535999633.db2.gz	SVKGUUTVOFXBJA-JTQLQIEISA-N	0	0	304.306	2.451	10	5		DEBERN
COc1cccc(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)n1	ZINC000255048016	623100108	/nfs/dbraw/zinc/10/01/08/623100108.db2.gz	VDZLPTQWASDFDS-YFHOEESVSA-N	0	0	313.313	2.328	10	5		DEBERN
O=[N+]([O-])c1cc2c(ncnc2N2CCO[C@@H](C(F)F)C2)s1	ZINC000804694051	623159430	/nfs/dbraw/zinc/15/94/30/623159430.db2.gz	MEFGRVNWVCEHAC-SSDOTTSWSA-N	0	0	316.289	2.070	10	5		DEBERN
Cc1ccc(OC(=O)CCOC2CCOCC2)c([N+](=O)[O-])c1	ZINC000084521035	634000565	/nfs/dbraw/zinc/00/05/65/634000565.db2.gz	CWGBDEKYAOYOIR-UHFFFAOYSA-N	0	0	309.318	2.394	10	5		DEBERN
C[C@H](OC[C@H]1CCCO1)C(=O)OCc1csc([N+](=O)[O-])c1	ZINC000253386796	634191176	/nfs/dbraw/zinc/19/11/76/634191176.db2.gz	YBEIWYDHYBKSGT-GXSJLCMTSA-N	0	0	315.347	2.284	10	5		DEBERN
COC(=O)[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C	ZINC000227752789	636613988	/nfs/dbraw/zinc/61/39/88/636613988.db2.gz	ZCFPPGTVSDGATI-JOYOIKCWSA-N	0	0	312.753	2.489	10	5		DEBERN
CC[S@](=O)CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1	ZINC000742406793	638069524	/nfs/dbraw/zinc/06/95/24/638069524.db2.gz	QMSTXSVHTBGTKE-FQEVSTJZSA-N	0	0	308.306	2.377	10	5		DEBERN
COC(=O)/C(C)=C/COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21	ZINC000748169723	638520478	/nfs/dbraw/zinc/52/04/78/638520478.db2.gz	JRMVWAIPZQGKIX-WEVVVXLNSA-N	0	0	318.285	2.352	10	5		DEBERN
COC(=O)/C(C)=C/COC(=O)Cc1cccc([N+](=O)[O-])c1C	ZINC000748477187	638562154	/nfs/dbraw/zinc/56/21/54/638562154.db2.gz	MXMTYWJJWVSHEA-JXMROGBWSA-N	0	0	307.302	2.108	10	5		DEBERN
C/C(=C/C(=O)OCC[C@H]1CCOC1=O)c1ccc([N+](=O)[O-])cc1	ZINC000752356683	639174723	/nfs/dbraw/zinc/17/47/23/639174723.db2.gz	VZYUPGMNKPLFQN-OEYXZAGESA-N	0	0	319.313	2.495	10	5		DEBERN
C/C(=C\C(=O)OCC[C@@H]1CCOC1=O)c1ccc([N+](=O)[O-])cc1	ZINC000752356682	639174778	/nfs/dbraw/zinc/17/47/78/639174778.db2.gz	VZYUPGMNKPLFQN-OCHBPSSRSA-N	0	0	319.313	2.495	10	5		DEBERN
CCOC(=O)[C@H](CC1CC1)NC(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000752385768	639178496	/nfs/dbraw/zinc/17/84/96/639178496.db2.gz	DXGFEHWNJCHMON-ZDUSSCGKSA-N	0	0	320.345	2.365	10	5		DEBERN
C/C(=C\C(=O)NC[C@H](O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1	ZINC000752518941	639192688	/nfs/dbraw/zinc/19/26/88/639192688.db2.gz	VWTXHGKFEQGTNT-IOCXFXADSA-N	0	0	318.251	2.038	10	5		DEBERN
C/C(=C\C(=O)N[C@H](CO)CC1CC1)c1ccc([N+](=O)[O-])cc1	ZINC000752741695	639214444	/nfs/dbraw/zinc/21/44/44/639214444.db2.gz	ROIBVGJIKIXGIC-ZHZWZMEUSA-N	0	0	304.346	2.275	10	5		DEBERN
CN(CCOC(=O)C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1	ZINC000064713426	641553503	/nfs/dbraw/zinc/55/35/03/641553503.db2.gz	ROVZKGNMCVYABC-AWEZNQCLSA-N	0	0	308.334	2.143	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H]1CC(=O)N(C)[C@@H]1C	ZINC000806068587	644496143	/nfs/dbraw/zinc/49/61/43/644496143.db2.gz	MXJKQAZDNIKEQE-BBGYYPMSSA-N	0	0	318.329	2.161	10	5		DEBERN
COC(=O)c1cc(C)nc(NCCOC2CCC2)c1[N+](=O)[O-]	ZINC000804521836	645785092	/nfs/dbraw/zinc/78/50/92/645785092.db2.gz	YNCIUCJVGBKBKG-UHFFFAOYSA-N	0	0	309.322	2.066	10	5		DEBERN
Cc1cnn([C@H]2CCCN(Cn3nc(C)c([N+](=O)[O-])c3C)C2)c1	ZINC000152959944	647306176	/nfs/dbraw/zinc/30/61/76/647306176.db2.gz	NFJWOKQKOMKJRA-AWEZNQCLSA-N	0	0	318.381	2.208	10	5		DEBERN
CC(C)[C@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(=O)N(C)C	ZINC000731529612	647490486	/nfs/dbraw/zinc/49/04/86/647490486.db2.gz	ZRQZZUYHSSVRSZ-LBPRGKRZSA-N	0	0	312.297	2.004	10	5		DEBERN
CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000174822252	647665690	/nfs/dbraw/zinc/66/56/90/647665690.db2.gz	HLBKIFOXBGFGRN-ZDUSSCGKSA-N	0	0	311.769	2.349	10	5		DEBERN
CCO[C@@H]1C[C@H](OC(=O)Cn2ccc([N+](=O)[O-])n2)C12CCCC2	ZINC000119604417	684084182	/nfs/dbraw/zinc/08/41/82/684084182.db2.gz	BYINNJPNAATAOI-NEPJUHHUSA-N	0	0	323.349	2.072	10	5		DEBERN
CC(C)c1nc([C@@H]2CCCN2Cn2cc([N+](=O)[O-])cn2)no1	ZINC000195298553	685093298	/nfs/dbraw/zinc/09/32/98/685093298.db2.gz	MRHDCMARQGYZIC-NSHDSACASA-N	0	0	306.326	2.092	10	5		DEBERN
COC(=O)[C@@H](OC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1)C1CC1	ZINC000588457849	777221246	/nfs/dbraw/zinc/22/12/46/777221246.db2.gz	PWSZUCQETFJRDQ-CMUBDUJZSA-N	0	0	319.313	2.493	10	5		DEBERN
O=[N+]([O-])c1cnc(N[C@H]2CC23CC(O)C3)c(Br)c1	ZINC000724911256	777517963	/nfs/dbraw/zinc/51/79/63/777517963.db2.gz	QHJIHMCAPGMJBT-DMGUCSGOSA-N	0	0	314.139	2.078	10	5		DEBERN
Cc1c(Br)c(N[C@]23C[C@H]2COC3)ncc1[N+](=O)[O-]	ZINC000718003705	1081862237	/nfs/dbraw/zinc/86/22/37/1081862237.db2.gz	BSYWFDSOFLWZLY-CPCISQLKSA-N	0	0	314.139	2.262	10	5		DEBERN
Cc1sc(C(=O)Nc2ccnc3ccnn32)cc1[N+](=O)[O-]	ZINC000076640203	185028241	/nfs/dbraw/zinc/02/82/41/185028241.db2.gz	GELNONWTZORNIM-UHFFFAOYSA-N	0	0	303.303	2.260	10	5		DEBERN
O=[N+]([O-])c1c(I)nccc1OC1CC1	ZINC000095735480	185383548	/nfs/dbraw/zinc/38/35/48/185383548.db2.gz	UDWYZLMIBHYVPK-UHFFFAOYSA-N	0	0	306.059	2.136	10	5		DEBERN
CCOC(=O)c1cccc(Cn2cc([N+](=O)[O-])cc(C)c2=O)c1	ZINC000096778361	185387151	/nfs/dbraw/zinc/38/71/51/185387151.db2.gz	HLVIQMLGPWEONM-UHFFFAOYSA-N	0	0	316.313	2.290	10	5		DEBERN
Cc1cccc(NC(=O)Cn2cc([N+](=O)[O-])cc(C)c2=O)c1	ZINC000096778110	185387205	/nfs/dbraw/zinc/38/72/05/185387205.db2.gz	IFSOYXPXGJOULE-UHFFFAOYSA-N	0	0	301.302	2.012	10	5		DEBERN
Cc1nccc(N2CCN(c3ccc([N+](=O)[O-])s3)CC2)n1	ZINC000612663953	361885399	/nfs/dbraw/zinc/88/53/99/361885399.db2.gz	HHTMQYCCFAOIPF-UHFFFAOYSA-N	0	0	305.363	2.081	10	5		DEBERN
CN(CCC(F)(F)F)C(=O)c1cc(N)c(F)cc1[N+](=O)[O-]	ZINC000088438136	185250784	/nfs/dbraw/zinc/25/07/84/185250784.db2.gz	YRRGHYDLGJYPAE-UHFFFAOYSA-N	0	0	309.219	2.341	10	5		DEBERN
COC(=O)C[C@H](C)[S@@](=O)Cc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000090101506	185281990	/nfs/dbraw/zinc/28/19/90/185281990.db2.gz	ZKGMYVZVZZZQSE-FFVOIRBGSA-N	0	0	319.766	2.449	10	5		DEBERN
CC[C@@H]1CN(c2ccccc2)CCN1c1c([N+](=O)[O-])ncn1C	ZINC000613114286	362006910	/nfs/dbraw/zinc/00/69/10/362006910.db2.gz	TYWZDGMVQRBFJD-CYBMUJFWSA-N	0	0	315.377	2.434	10	5		DEBERN
CC(C)[C@@H](C)CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-]	ZINC000179571703	282229343	/nfs/dbraw/zinc/22/93/43/282229343.db2.gz	DQGBKFXVXUXCAP-LBPRGKRZSA-N	0	0	314.407	2.349	10	5		DEBERN
CC(C)[C@@H](CO)Nc1ncc(Br)cc1[N+](=O)[O-]	ZINC000092401783	185316127	/nfs/dbraw/zinc/31/61/27/185316127.db2.gz	HYSDUDAILHQLGV-MRVPVSSYSA-N	0	0	304.144	2.181	10	5		DEBERN
CC1(C)CC[C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)O1	ZINC000186244909	282270864	/nfs/dbraw/zinc/27/08/64/282270864.db2.gz	MUNJRWBUUQOTEX-ZDUSSCGKSA-N	0	0	307.350	2.352	10	5		DEBERN
CN(C)c1noc([C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3)C2)n1	ZINC000302419508	529819020	/nfs/dbraw/zinc/81/90/20/529819020.db2.gz	IPIBBXHRTRQBBY-LLVKDONJSA-N	0	0	317.349	2.428	10	5		DEBERN
C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCc1cnn(C)c1	ZINC000103375114	185448596	/nfs/dbraw/zinc/44/85/96/185448596.db2.gz	VORCJVXIVIVCOH-LLVKDONJSA-N	0	0	314.345	2.239	10	5		DEBERN
CCC(C)(C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000192234039	282339837	/nfs/dbraw/zinc/33/98/37/282339837.db2.gz	MKKVWRVWPVRSBG-UHFFFAOYSA-N	0	0	316.379	2.318	10	5		DEBERN
COC[C@H](C)C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1	ZINC000109210949	185556344	/nfs/dbraw/zinc/55/63/44/185556344.db2.gz	VPRXWEHOHUWEBT-JTQLQIEISA-N	0	0	304.306	2.002	10	5		DEBERN
CNc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)C1CCC1	ZINC000138110419	186014321	/nfs/dbraw/zinc/01/43/21/186014321.db2.gz	AESIHINLRYPIJJ-VIFPVBQESA-N	0	0	313.379	2.103	10	5		DEBERN
C[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H](C)N1C	ZINC000141964739	186031512	/nfs/dbraw/zinc/03/15/12/186031512.db2.gz	CFSLMHOMAWHDHW-UWVGGRQHSA-N	0	0	311.769	2.413	10	5		DEBERN
CCOc1nc(N)nc(Oc2ccc([N+](=O)[O-])c(Cl)c2)n1	ZINC000148344106	186044288	/nfs/dbraw/zinc/04/42/88/186044288.db2.gz	IVOZDHAMNILAPY-UHFFFAOYSA-N	0	0	311.685	2.206	10	5		DEBERN
Nc1cc(Sc2nnnn2C2CCCC2)cc([N+](=O)[O-])c1	ZINC000149589154	186051827	/nfs/dbraw/zinc/05/18/27/186051827.db2.gz	FYIGTEBPHRAAMK-UHFFFAOYSA-N	0	0	306.351	2.430	10	5		DEBERN
Nc1ccc(C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cc1[N+](=O)[O-]	ZINC000152439965	186072999	/nfs/dbraw/zinc/07/29/99/186072999.db2.gz	WTWKEGKYKDYVPL-UHOFOFEASA-N	0	0	309.325	2.245	10	5		DEBERN
CCC1(CC)CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[S@]1=O	ZINC000183870993	186225763	/nfs/dbraw/zinc/22/57/63/186225763.db2.gz	JLVZWRLUZJUNNZ-JOCHJYFZSA-N	0	0	324.402	2.358	10	5		DEBERN
Cc1c2c(I)n[nH]c2ccc1[N+](=O)[O-]	ZINC000044185480	354231944	/nfs/dbraw/zinc/23/19/44/354231944.db2.gz	HTAVAOLJIWRUSZ-UHFFFAOYSA-N	0	0	303.059	2.384	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCSCC1	ZINC000060844346	354621022	/nfs/dbraw/zinc/62/10/22/354621022.db2.gz	INKQAGNBTGIABX-UHFFFAOYSA-N	0	0	316.404	2.031	10	5		DEBERN
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2C[C@@H]2c2cccs2)c1	ZINC000074777513	191358900	/nfs/dbraw/zinc/35/89/00/191358900.db2.gz	LEZBBMJOLBUXMH-NWDGAFQWSA-N	0	0	324.383	2.491	10	5		DEBERN
Cc1ccc(N2CCN(Cc3ccon3)CC2)c([N+](=O)[O-])c1	ZINC000080651433	355377892	/nfs/dbraw/zinc/37/78/92/355377892.db2.gz	LMAVHMVIZPECPS-UHFFFAOYSA-N	0	0	302.334	2.213	10	5		DEBERN
Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](NC(=O)C(C)C)C1	ZINC000080975729	355398303	/nfs/dbraw/zinc/39/83/03/355398303.db2.gz	SDCVHUXVQHKPIT-GFCCVEGCSA-N	0	0	306.366	2.039	10	5		DEBERN
O=C1CN2CCc3ccccc3[C@H]2c2cc([N+](=O)[O-])ccc2N1	ZINC000095762799	355697375	/nfs/dbraw/zinc/69/73/75/355697375.db2.gz	IDEHZZWNGUGGAP-KRWDZBQOSA-N	0	0	309.325	2.494	10	5		DEBERN
CCc1nc(C)cc(=O)n1CCOc1ccc([N+](=O)[O-])cc1	ZINC000144221020	355901953	/nfs/dbraw/zinc/90/19/53/355901953.db2.gz	IVOQKGWHBLOGQP-UHFFFAOYSA-N	0	0	303.318	2.101	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCOCC1	ZINC000142014046	355893090	/nfs/dbraw/zinc/89/30/90/355893090.db2.gz	LLSRUHFCVAGART-UHFFFAOYSA-N	0	0	304.224	2.086	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@](O)(C(F)(F)F)C1	ZINC000183362917	356169199	/nfs/dbraw/zinc/16/91/99/356169199.db2.gz	SHBNSLQKHIKFJW-LBPRGKRZSA-N	0	0	304.268	2.402	10	5		DEBERN
CCOC(=O)c1ccc(I)cc1[N+](=O)[O-]	ZINC000228820081	356281617	/nfs/dbraw/zinc/28/16/17/356281617.db2.gz	HLGLGZUPONKZGE-UHFFFAOYSA-N	0	0	321.070	2.376	10	5		DEBERN
C[C@@H]1CC[C@H](O)CN1c1ncc([N+](=O)[O-])cc1Br	ZINC000399329620	283151370	/nfs/dbraw/zinc/15/13/70/283151370.db2.gz	NUMBUCDOQAGMLZ-APPZFPTMSA-N	0	0	316.155	2.102	10	5		DEBERN
CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000319232412	356439681	/nfs/dbraw/zinc/43/96/81/356439681.db2.gz	VMGMJZHCENSILQ-WFASDCNBSA-N	0	0	308.382	2.251	10	5		DEBERN
CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000319232410	356439864	/nfs/dbraw/zinc/43/98/64/356439864.db2.gz	VMGMJZHCENSILQ-IUODEOHRSA-N	0	0	308.382	2.251	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000005763341	181281754	/nfs/dbraw/zinc/28/17/54/181281754.db2.gz	ASKYTQIXIOPGOO-CZUORRHYSA-N	0	0	304.346	2.362	10	5		DEBERN
CC(=O)C(C)(C)CCc1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1	ZINC000618426365	363490962	/nfs/dbraw/zinc/49/09/62/363490962.db2.gz	OALKGADXRKCDKY-UHFFFAOYSA-N	0	0	321.337	2.235	10	5		DEBERN
C/C(=C/c1nc(Cn2cncn2)no1)c1ccc([N+](=O)[O-])cc1	ZINC000350762779	356565236	/nfs/dbraw/zinc/56/52/36/356565236.db2.gz	NMSOIKTYOZXBEK-POHAHGRESA-N	0	0	312.289	2.178	10	5		DEBERN
O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CCCC[C@H]1CO	ZINC000179233243	199002387	/nfs/dbraw/zinc/00/23/87/199002387.db2.gz	APABQAVXVADOPX-QWHCGFSZSA-N	0	0	322.361	2.031	10	5		DEBERN
COC(=O)C1CCC(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1	ZINC000179472702	199042288	/nfs/dbraw/zinc/04/22/88/199042288.db2.gz	PYROAOFGVGHCAX-UHFFFAOYSA-N	0	0	320.345	2.190	10	5		DEBERN
CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H]2CC[C@@H](C1)[S@@]2=O	ZINC000599168425	359423006	/nfs/dbraw/zinc/42/30/06/359423006.db2.gz	VFEFXRKNLKMHTC-GPAUDHNESA-N	0	0	322.386	2.287	10	5		DEBERN
CCOC(=O)CC[C@H](C)NC(=O)c1csc([N+](=O)[O-])c1	ZINC000089801609	192873643	/nfs/dbraw/zinc/87/36/43/192873643.db2.gz	PFQDVDGGAHNFKI-QMMMGPOBSA-N	0	0	300.336	2.118	10	5		DEBERN
CN(CC1(CO)CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl	ZINC000189118324	200351857	/nfs/dbraw/zinc/35/18/57/200351857.db2.gz	BFBCUBUQOQZTDU-UHFFFAOYSA-N	0	0	312.753	2.022	10	5		DEBERN
NC(=O)c1ccc(N2CCC[C@]3(CCCOC3)C2)c([N+](=O)[O-])c1	ZINC000610469609	361403153	/nfs/dbraw/zinc/40/31/53/361403153.db2.gz	IVSVPYXGTVKZPF-INIZCTEOSA-N	0	0	319.361	2.091	10	5		DEBERN
COC(=O)CC1(NC(=O)c2ccc([N+](=O)[O-])cc2)CCCC1	ZINC000193891539	201139740	/nfs/dbraw/zinc/13/97/40/201139740.db2.gz	RQJKRKBIILKPHJ-UHFFFAOYSA-N	0	0	306.318	2.201	10	5		DEBERN
CC(=O)N1CCC(CNc2nc(C)cc(C)c2[N+](=O)[O-])CC1	ZINC000611615926	361645180	/nfs/dbraw/zinc/64/51/80/361645180.db2.gz	IQQUCSGBLPDXCF-UHFFFAOYSA-N	0	0	306.366	2.277	10	5		DEBERN
Cc1cnc(N2CCN(c3cnccc3C)CC2)c([N+](=O)[O-])c1	ZINC000619589508	363835133	/nfs/dbraw/zinc/83/51/33/363835133.db2.gz	IKQUBAFNSPXRSI-UHFFFAOYSA-N	0	0	313.361	2.328	10	5		DEBERN
C[C@H](c1ccccc1[N+](=O)[O-])N1CCO[C@H](C(=O)C2CC2)C1	ZINC000619781697	363875609	/nfs/dbraw/zinc/87/56/09/363875609.db2.gz	FVMHMSMCWNHVOZ-ABAIWWIYSA-N	0	0	304.346	2.336	10	5		DEBERN
CCN1CC[C@@H](NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1=O	ZINC000619801548	363878890	/nfs/dbraw/zinc/87/88/90/363878890.db2.gz	GLLPLKSMDYSBKM-CYBMUJFWSA-N	0	0	319.361	2.069	10	5		DEBERN
CCN(CC(=O)N1CCCCCC1)c1ccc([N+](=O)[O-])nc1	ZINC000450535860	241936452	/nfs/dbraw/zinc/93/64/52/241936452.db2.gz	QFJJRVXLBZLVEN-UHFFFAOYSA-N	0	0	306.366	2.219	10	5		DEBERN
CC(C)OCCOC1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC000450903994	242370628	/nfs/dbraw/zinc/37/06/28/242370628.db2.gz	LZEBACBMSNUJET-UHFFFAOYSA-N	0	0	309.366	2.400	10	5		DEBERN
Nc1n[nH]cc1CNc1ccc([N+](=O)[O-])cc1Br	ZINC000093436529	193251385	/nfs/dbraw/zinc/25/13/85/193251385.db2.gz	SLTLYMXHRTVWFC-UHFFFAOYSA-N	0	0	312.127	2.275	10	5		DEBERN
Nc1ccc(-c2nc([C@@H]3CSCCO3)no2)cc1[N+](=O)[O-]	ZINC000094501980	193374184	/nfs/dbraw/zinc/37/41/84/193374184.db2.gz	NNFSAWNRRNHAKH-JTQLQIEISA-N	0	0	308.319	2.032	10	5		DEBERN
CCNc1cc(C)c(S(=O)(=O)NC2CCC2)cc1[N+](=O)[O-]	ZINC000094780626	193398088	/nfs/dbraw/zinc/39/80/88/193398088.db2.gz	OBLKWBODEPWCAC-UHFFFAOYSA-N	0	0	313.379	2.166	10	5		DEBERN
NN=c1nc[nH]c(N[C@@H]2CCCc3sccc32)c1[N+](=O)[O-]	ZINC000160067821	197383676	/nfs/dbraw/zinc/38/36/76/197383676.db2.gz	OQEUAYWIKHWNFP-MRVPVSSYSA-N	0	0	306.351	2.221	10	5		DEBERN
CC(=O)c1ccc(Sc2nc(C)cc(=O)[nH]2)c([N+](=O)[O-])c1	ZINC000021516762	182277007	/nfs/dbraw/zinc/27/70/07/182277007.db2.gz	FLHIGQQNSLSRHM-UHFFFAOYSA-N	0	0	305.315	2.340	10	5		DEBERN
CCOC(=O)c1cc(N2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-]	ZINC000267524023	206123054	/nfs/dbraw/zinc/12/30/54/206123054.db2.gz	HFXMMAMWZAMMSQ-GHMZBOCLSA-N	0	0	308.334	2.385	10	5		DEBERN
CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(C)COC1	ZINC000157284927	291629187	/nfs/dbraw/zinc/62/91/87/291629187.db2.gz	NTUFEOIOJFLGJT-UHFFFAOYSA-N	0	0	310.375	2.473	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@H](CO)[C@H]1C	ZINC000488941726	248817279	/nfs/dbraw/zinc/81/72/79/248817279.db2.gz	SYQYNYTXAPTPIM-NEPJUHHUSA-N	0	0	307.350	2.446	10	5		DEBERN
C=COCCCNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000040413915	183063164	/nfs/dbraw/zinc/06/31/64/183063164.db2.gz	HXXITPORKFEFFW-UHFFFAOYSA-N	0	0	320.754	2.077	10	5		DEBERN
C[C@H](C(=O)NC(C)(C)C)n1cc(Br)c([N+](=O)[O-])n1	ZINC000040517323	183089247	/nfs/dbraw/zinc/08/92/47/183089247.db2.gz	FKPMHFQYITWRFK-ZCFIWIBFSA-N	0	0	319.159	2.030	10	5		DEBERN
O=C(NCCC1CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000041827398	183221888	/nfs/dbraw/zinc/22/18/88/183221888.db2.gz	LLGUVBGOLLNFJS-UHFFFAOYSA-N	0	0	305.334	2.230	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1C[S@@](=O)c1ccccc1N	ZINC000042194273	183240360	/nfs/dbraw/zinc/24/03/60/183240360.db2.gz	JHOPFSZHRBYNGD-NRFANRHFSA-N	0	0	306.343	2.493	10	5		DEBERN
Cc1nn(C)c(N2CCO[C@H](c3cccs3)C2)c1[N+](=O)[O-]	ZINC000268368149	206662895	/nfs/dbraw/zinc/66/28/95/206662895.db2.gz	FOIADWZPPOCCAY-JTQLQIEISA-N	0	0	308.363	2.276	10	5		DEBERN
Cc1nn(C)c(N2CCO[C@@H](c3cccs3)C2)c1[N+](=O)[O-]	ZINC000268368153	206663989	/nfs/dbraw/zinc/66/39/89/206663989.db2.gz	FOIADWZPPOCCAY-SNVBAGLBSA-N	0	0	308.363	2.276	10	5		DEBERN
O=C(c1csc([N+](=O)[O-])c1)N1CC[C@]2(O)CCCC[C@H]2C1	ZINC000178336463	284760444	/nfs/dbraw/zinc/76/04/44/284760444.db2.gz	BQUXYYHRUBDCJJ-SMDDNHRTSA-N	0	0	310.375	2.424	10	5		DEBERN
CCNc1ccc(S(=O)(=O)N(C)[C@@H](C)CC)c([N+](=O)[O-])c1	ZINC000050651283	183794333	/nfs/dbraw/zinc/79/43/33/183794333.db2.gz	CSYBCPWDVNSRPU-JTQLQIEISA-N	0	0	315.395	2.446	10	5		DEBERN
CCNc1cc(C(=O)NCC(F)(F)F)c([N+](=O)[O-])cc1F	ZINC000050721947	183801900	/nfs/dbraw/zinc/80/19/00/183801900.db2.gz	VURIUNHPCBZBEQ-UHFFFAOYSA-N	0	0	309.219	2.458	10	5		DEBERN
CC(C)[NH2+][C@H](COc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000051625766	183832104	/nfs/dbraw/zinc/83/21/04/183832104.db2.gz	GGOWTAUYFCPTME-SECBINFHSA-N	0	0	302.714	2.078	10	5		DEBERN
O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1CCCC[C@@H]1O	ZINC000052005915	183847035	/nfs/dbraw/zinc/84/70/35/183847035.db2.gz	GQGNRRZAXABILE-SCZZXKLOSA-N	0	0	316.155	2.468	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nc[nH]n2)cc1	ZINC000111094231	194390752	/nfs/dbraw/zinc/39/07/52/194390752.db2.gz	VOAIZOSABKPTPQ-UHFFFAOYSA-N	0	0	324.300	2.336	10	5		DEBERN
CC(C)n1c(=O)[nH]nc1Sc1nc(Cl)ccc1[N+](=O)[O-]	ZINC000061596023	184176575	/nfs/dbraw/zinc/17/65/75/184176575.db2.gz	KZKXNAOIWDLNJE-UHFFFAOYSA-N	0	0	315.742	2.260	10	5		DEBERN
CCNc1ccc(Cl)c(Cn2cc([N+](=O)[O-])ccc2=O)n1	ZINC000061639387	184180298	/nfs/dbraw/zinc/18/02/98/184180298.db2.gz	JWEKHCOPJLJULI-UHFFFAOYSA-N	0	0	308.725	2.285	10	5		DEBERN
O=C(c1cccc([N+](=O)[O-])c1)N1CCC(Cn2cccn2)CC1	ZINC000062130655	184207666	/nfs/dbraw/zinc/20/76/66/184207666.db2.gz	QWXGSGPMACQSCJ-UHFFFAOYSA-N	0	0	314.345	2.344	10	5		DEBERN
O=C1c2ccccc2C(=O)N1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1	ZINC000071873547	285021916	/nfs/dbraw/zinc/02/19/16/285021916.db2.gz	QPGNCHDDWKVELZ-ZDUSSCGKSA-N	0	0	308.293	2.358	10	5		DEBERN
COCCC(=O)Nc1ccc([N+](=O)[O-])c(Br)c1	ZINC000119630865	195006704	/nfs/dbraw/zinc/00/67/04/195006704.db2.gz	HBSZLJBSEMQUEF-UHFFFAOYSA-N	0	0	303.112	2.332	10	5		DEBERN
C[C@@H]1C[C@@H]1CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000159081329	197325273	/nfs/dbraw/zinc/32/52/73/197325273.db2.gz	NSJQTQSFNDBPLQ-HTQZYQBOSA-N	0	0	304.755	2.183	10	5		DEBERN
CCNc1cc(NCC(C)(C)S(C)(=O)=O)cc([N+](=O)[O-])c1	ZINC000157293718	197177132	/nfs/dbraw/zinc/17/71/32/197177132.db2.gz	YHRRMJPLZFZDII-UHFFFAOYSA-N	0	0	315.395	2.262	10	5		DEBERN
CCO[C@@H]1C[C@H](Nc2c(F)cc(F)cc2[N+](=O)[O-])[C@@H]1OC	ZINC000157222147	197170526	/nfs/dbraw/zinc/17/05/26/197170526.db2.gz	IOFBDUAGKDECIV-NDMJEZRESA-N	0	0	302.277	2.477	10	5		DEBERN
CCO[C@@H]1C[C@H](Nc2cc([N+](=O)[O-])c(F)cc2F)[C@@H]1OC	ZINC000157090269	197160940	/nfs/dbraw/zinc/16/09/40/197160940.db2.gz	SINWQJSYNRHCLP-UHTWSYAYSA-N	0	0	302.277	2.477	10	5		DEBERN
CCNc1cccc(C(=O)NCc2nccs2)c1[N+](=O)[O-]	ZINC000156972321	197153424	/nfs/dbraw/zinc/15/34/24/197153424.db2.gz	YCGQDLWEZUCRBJ-UHFFFAOYSA-N	0	0	306.347	2.413	10	5		DEBERN
CNc1c(Cl)cc(C(=O)N[C@@H]2CCO[C@@H]2C)cc1[N+](=O)[O-]	ZINC000156894184	197148192	/nfs/dbraw/zinc/14/81/92/197148192.db2.gz	CRFDCMFKBBYMON-GMSGAONNSA-N	0	0	313.741	2.197	10	5		DEBERN
COCCc1cc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)n(C)n1	ZINC000156786211	197140694	/nfs/dbraw/zinc/14/06/94/197140694.db2.gz	ZAWZMVIPBRKVAI-UHFFFAOYSA-N	0	0	324.362	2.139	10	5		DEBERN
Cc1cc(C)n([C@@H](C)C(=O)NCc2ccccc2[N+](=O)[O-])n1	ZINC000120421004	195163304	/nfs/dbraw/zinc/16/33/04/195163304.db2.gz	XTWWCNMIVQQZMX-LBPRGKRZSA-N	0	0	302.334	2.286	10	5		DEBERN
O=C1CC2(CCCCC2)N(CCOc2ccccc2[N+](=O)[O-])N1	ZINC000289348616	220903458	/nfs/dbraw/zinc/90/34/58/220903458.db2.gz	MRWXSEKAFSNNIV-UHFFFAOYSA-N	0	0	319.361	2.413	10	5		DEBERN
COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCCc1cn[nH]c1	ZINC000357623457	133089224	/nfs/dbraw/zinc/08/92/24/133089224.db2.gz	RBJDUZSHDQWODM-UHFFFAOYSA-N	0	0	324.724	2.413	10	5		DEBERN
C[C@@H]1CCC[C@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000359943351	133154358	/nfs/dbraw/zinc/15/43/58/133154358.db2.gz	YYCPIWNREDFBJP-YPMHNXCESA-N	0	0	312.391	2.450	10	5		DEBERN
O=[N+]([O-])c1ccc(Cl)nc1N1CCN(CC(F)(F)F)CC1	ZINC000061948818	134804540	/nfs/dbraw/zinc/80/45/40/134804540.db2.gz	WSKZVWAHHBCLNL-UHFFFAOYSA-N	0	0	324.690	2.328	10	5		DEBERN
CNC(=O)[C@H](NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)C(C)C	ZINC000179911444	144881934	/nfs/dbraw/zinc/88/19/34/144881934.db2.gz	QAQJVKYYLODWPW-CYBMUJFWSA-N	0	0	321.377	2.020	10	5		DEBERN
CC(C)[C@@H]1C[C@@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000186649364	144987139	/nfs/dbraw/zinc/98/71/39/144987139.db2.gz	IIPOLIGNSSHFTF-UBHSHLNASA-N	0	0	318.377	2.295	10	5		DEBERN
Cc1nc(N2CCC[C@H](c3ccnc(N)n3)C2)ccc1[N+](=O)[O-]	ZINC000192754259	145078314	/nfs/dbraw/zinc/07/83/14/145078314.db2.gz	LNFXQGKYSUPDGU-NSHDSACASA-N	0	0	314.349	2.054	10	5		DEBERN
CCc1nn(C)c(N2CC[C@@H](C(C)(C)C)[C@H](O)C2)c1[N+](=O)[O-]	ZINC000408195902	148573932	/nfs/dbraw/zinc/57/39/32/148573932.db2.gz	WIZLXEMLYZVXGW-ZYHUDNBSSA-N	0	0	310.398	2.124	10	5		DEBERN
Cc1nc(N2CCC[C@@H](C(=O)N3CCCC3)C2)ccc1[N+](=O)[O-]	ZINC000408280266	148584436	/nfs/dbraw/zinc/58/44/36/148584436.db2.gz	GUVIEUVBBNTJDS-CYBMUJFWSA-N	0	0	318.377	2.137	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCSC(C)(C)CC2)n1	ZINC000408454537	148607263	/nfs/dbraw/zinc/60/72/63/148607263.db2.gz	VBNJCOCUPLOXMB-UHFFFAOYSA-N	0	0	312.395	2.169	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1ccccc1	ZINC000007708131	401743660	/nfs/dbraw/zinc/74/36/60/401743660.db2.gz	OINARQGWLFINMB-UHFFFAOYSA-N	0	0	322.342	2.429	10	5		DEBERN
O=C(NCc1cccc([N+](=O)[O-])c1)c1cnn2c1CCCC2	ZINC000126468751	401695952	/nfs/dbraw/zinc/69/59/52/401695952.db2.gz	XNBAAIBIXFHDNP-UHFFFAOYSA-N	0	0	300.318	2.058	10	5		DEBERN
CC1(CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)COC1	ZINC000112696029	401753756	/nfs/dbraw/zinc/75/37/56/401753756.db2.gz	TVXPWODVORSZRF-UHFFFAOYSA-N	0	0	319.361	2.279	10	5		DEBERN
O=C(Nc1ccc2c(c1)OCC(=O)N2)c1ccccc1[N+](=O)[O-]	ZINC000012098144	401779409	/nfs/dbraw/zinc/77/94/09/401779409.db2.gz	BBKIDXBHSRNVAZ-UHFFFAOYSA-N	0	0	313.269	2.178	10	5		DEBERN
COc1c(O)c2c(=O)c3cc(O)ccc3oc2c(OC)c1OC	ZINC000014648838	401812978	/nfs/dbraw/zinc/81/29/78/401812978.db2.gz	WJNCOCOQNPOXCB-UHFFFAOYSA-N	0	0	318.281	2.383	10	5		DEBERN
CN(C[C@@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12	ZINC000133543015	401889994	/nfs/dbraw/zinc/88/99/94/401889994.db2.gz	SJBTUCKUIJIUIU-NSHDSACASA-N	0	0	315.329	2.394	10	5		DEBERN
C[C@@H](CO)[C@H](C)Nc1ncc([N+](=O)[O-])cc1Br	ZINC000135764840	401952704	/nfs/dbraw/zinc/95/27/04/401952704.db2.gz	MNRPRXGOTQNHQN-BQBZGAKWSA-N	0	0	304.144	2.181	10	5		DEBERN
O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CCCC[C@@H]1CO	ZINC000151092511	402015129	/nfs/dbraw/zinc/01/51/29/402015129.db2.gz	XGMLKMKPMZCSNQ-OLZOCXBDSA-N	0	0	321.377	2.064	10	5		DEBERN
O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000151315337	402029261	/nfs/dbraw/zinc/02/92/61/402029261.db2.gz	QZMHMOQUQAMIAG-RHSMWYFYSA-N	0	0	318.373	2.291	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](C)C1CCOCC1	ZINC000121516826	402041425	/nfs/dbraw/zinc/04/14/25/402041425.db2.gz	WXZXXMWJKXEODS-NSHDSACASA-N	0	0	322.361	2.282	10	5		DEBERN
O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1CCc2cc(Cl)ccc21	ZINC000055739774	402085853	/nfs/dbraw/zinc/08/58/53/402085853.db2.gz	SYMQTFCJJWOUIA-LBPRGKRZSA-N	0	0	320.736	2.248	10	5		DEBERN
COC[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1	ZINC000122604923	402086584	/nfs/dbraw/zinc/08/65/84/402086584.db2.gz	ZFQDRQIIKMOYTQ-CQSZACIVSA-N	0	0	303.318	2.231	10	5		DEBERN
CCOC(=O)CN(C(=O)c1ccc([N+](=O)[O-])cc1C)C(C)C	ZINC000066290353	402129930	/nfs/dbraw/zinc/12/99/30/402129930.db2.gz	UMDXEHUOKCKUAQ-UHFFFAOYSA-N	0	0	308.334	2.317	10	5		DEBERN
Cc1noc(CCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)n1	ZINC000103376432	402185950	/nfs/dbraw/zinc/18/59/50/402185950.db2.gz	AFVFHIFFVSLXHG-VIFPVBQESA-N	0	0	316.317	2.197	10	5		DEBERN
O=C(N[C@@H]1CCCc2cc(F)ccc21)c1[nH]ncc1[N+](=O)[O-]	ZINC000153864868	402175895	/nfs/dbraw/zinc/17/58/95/402175895.db2.gz	BKBVLQYTLATXKQ-LLVKDONJSA-N	0	0	304.281	2.264	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC(c2cc[nH]n2)CC1	ZINC000125221621	402219761	/nfs/dbraw/zinc/21/97/61/402219761.db2.gz	VHORMSJWCBYELP-UHFFFAOYSA-N	0	0	318.308	2.477	10	5		DEBERN
CC[C@H](O)CCNc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-]	ZINC000154669300	402225344	/nfs/dbraw/zinc/22/53/44/402225344.db2.gz	UQOYLOLWOXMCTC-PZBABLGHSA-N	0	0	308.334	2.354	10	5		DEBERN
Cc1ccc(NCCCNC(=O)[C@H]2CC[C@H](C)O2)c([N+](=O)[O-])c1	ZINC000155974046	402272894	/nfs/dbraw/zinc/27/28/94/402272894.db2.gz	IRRMIHPLCILITG-SWLSCSKDSA-N	0	0	321.377	2.389	10	5		DEBERN
C[C@@H](N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1(C)CC1	ZINC000176787096	402337198	/nfs/dbraw/zinc/33/71/98/402337198.db2.gz	LTEZCWOEHAXSNV-MRVPVSSYSA-N	0	0	304.393	2.465	10	5		DEBERN
O=C(N[C@@H]1CCCn2ncnc21)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000177581292	402417536	/nfs/dbraw/zinc/41/75/36/402417536.db2.gz	LCHRIUAUWQVNKQ-SECBINFHSA-N	0	0	321.724	2.105	10	5		DEBERN
CCOC(=O)NCCC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1	ZINC000177795279	402436868	/nfs/dbraw/zinc/43/68/68/402436868.db2.gz	GSORWNZCEAMCEY-CYBMUJFWSA-N	0	0	323.349	2.298	10	5		DEBERN
O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1Cn1ccnc1	ZINC000177811739	402438348	/nfs/dbraw/zinc/43/83/48/402438348.db2.gz	VQQRGDURIRXHQK-CQSZACIVSA-N	0	0	300.318	2.096	10	5		DEBERN
COCCCCS(=O)(=O)Oc1cc(C)c([N+](=O)[O-])cc1F	ZINC000185973123	402394235	/nfs/dbraw/zinc/39/42/35/402394235.db2.gz	PFYFUXKTJSKKNP-UHFFFAOYSA-N	0	0	321.326	2.178	10	5		DEBERN
Cc1cc(C(=O)N2CCO[C@H]3CCCC[C@H]32)c(N)c([N+](=O)[O-])c1	ZINC000178169996	402467368	/nfs/dbraw/zinc/46/73/68/402467368.db2.gz	GJMCCKNPKSIMHT-OCCSQVGLSA-N	0	0	319.361	2.269	10	5		DEBERN
CN(C[C@@H]1CCCO1)C(=O)CCNc1ccccc1[N+](=O)[O-]	ZINC000170679193	402513151	/nfs/dbraw/zinc/51/31/51/402513151.db2.gz	YPEGBSPWWKSGSX-LBPRGKRZSA-N	0	0	307.350	2.034	10	5		DEBERN
C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1C	ZINC000245954815	402499966	/nfs/dbraw/zinc/49/99/66/402499966.db2.gz	TVRVQTSRQVVCJM-DTWKUNHWSA-N	0	0	304.393	2.323	10	5		DEBERN
O=[N+]([O-])c1c(N[C@H]2Cc3ccccc3[C@H]2O)nc2sccn21	ZINC000170982581	402546978	/nfs/dbraw/zinc/54/69/78/402546978.db2.gz	OXTXVBDGPRAYMI-WDEREUQCSA-N	0	0	316.342	2.374	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C)[C@@H](OC)C1	ZINC000189832464	402560857	/nfs/dbraw/zinc/56/08/57/402560857.db2.gz	DFBPQYKPKGSVQO-YGRLFVJLSA-N	0	0	323.349	2.492	10	5		DEBERN
Cc1sc(C(=O)NCc2nc3cccnc3[nH]2)cc1[N+](=O)[O-]	ZINC000190243386	402587153	/nfs/dbraw/zinc/58/71/53/402587153.db2.gz	GBZNVJGBAYWYOT-UHFFFAOYSA-N	0	0	317.330	2.166	10	5		DEBERN
Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccnn1C	ZINC000191328748	402661737	/nfs/dbraw/zinc/66/17/37/402661737.db2.gz	AEOCNAJLESEQGV-UHFFFAOYSA-N	0	0	303.322	2.267	10	5		DEBERN
CCn1cc([C@H]2CN(Cc3cccc([N+](=O)[O-])c3)CCO2)cn1	ZINC000191704359	402687373	/nfs/dbraw/zinc/68/73/73/402687373.db2.gz	KRFDTZXWCUXKER-MRXNPFEDSA-N	0	0	316.361	2.385	10	5		DEBERN
CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](O)c1ccccc1OC	ZINC000192494715	402732483	/nfs/dbraw/zinc/73/24/83/402732483.db2.gz	RIXSBWREVPACIB-LBPRGKRZSA-N	0	0	320.349	2.274	10	5		DEBERN
COC(=O)c1coc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1	ZINC000183998116	402811753	/nfs/dbraw/zinc/81/17/53/402811753.db2.gz	LOSMVICZBRULDV-UHFFFAOYSA-N	0	0	318.285	2.247	10	5		DEBERN
COc1ccc(C(=O)N[C@@H]2COc3ccccc32)cc1[N+](=O)[O-]	ZINC000194856399	402818810	/nfs/dbraw/zinc/81/88/10/402818810.db2.gz	DRJVDOUIURLNPU-GFCCVEGCSA-N	0	0	314.297	2.467	10	5		DEBERN
Cc1nc(C(F)(F)F)c(Cn2ncc([N+](=O)[O-])c2N)s1	ZINC000184206119	402826417	/nfs/dbraw/zinc/82/64/17/402826417.db2.gz	BLMNVUGKCFYFHC-UHFFFAOYSA-N	0	0	307.257	2.206	10	5		DEBERN
COc1cccc2c1nc(NC(=O)c1ccc([N+](=O)[O-])o1)n2C	ZINC000184472675	402845937	/nfs/dbraw/zinc/84/59/37/402845937.db2.gz	UJRGYPAVZOABBJ-UHFFFAOYSA-N	0	0	316.273	2.335	10	5		DEBERN
CS[C@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1	ZINC000265290619	402907961	/nfs/dbraw/zinc/90/79/61/402907961.db2.gz	CXUAARRJLNTXJN-WPRPVWTQSA-N	0	0	310.379	2.175	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCc1cnn(C)c1	ZINC000273398851	403001305	/nfs/dbraw/zinc/00/13/05/403001305.db2.gz	QJQBXLYOCVRDDX-XFXZXTDPSA-N	0	0	314.345	2.091	10	5		DEBERN
CN(Cc1nc2c(s1)CCCC2)c1c([N+](=O)[O-])ncn1C	ZINC000267049052	403010865	/nfs/dbraw/zinc/01/08/65/403010865.db2.gz	NKXDIKXHFKRQJU-UHFFFAOYSA-N	0	0	307.379	2.300	10	5		DEBERN
O=C(NN1CCCC1)c1cccc([N+](=O)[O-])c1Br	ZINC000298405701	403375387	/nfs/dbraw/zinc/37/53/87/403375387.db2.gz	NPAYGARTXMYZTL-UHFFFAOYSA-N	0	0	314.139	2.098	10	5		DEBERN
Cc1ccc(N[C@@H]2CC(=O)N(CC(F)(F)F)C2)c([N+](=O)[O-])c1	ZINC000301452686	403631171	/nfs/dbraw/zinc/63/11/71/403631171.db2.gz	APCNCASAALDGBG-SECBINFHSA-N	0	0	317.267	2.478	10	5		DEBERN
CCN(CC)C(=O)C1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1	ZINC000301449924	403631857	/nfs/dbraw/zinc/63/18/57/403631857.db2.gz	SSDODKLSBZSZAB-UHFFFAOYSA-N	0	0	320.393	2.383	10	5		DEBERN
COC(=O)c1ccc([N+](=O)[O-])c(N2CCOC3(CCC3)C2)c1	ZINC000302200728	403709281	/nfs/dbraw/zinc/70/92/81/403709281.db2.gz	VBGUUDUQPQGEPI-UHFFFAOYSA-N	0	0	306.318	2.141	10	5		DEBERN
CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[C@H](OC)C1	ZINC000301774645	403677484	/nfs/dbraw/zinc/67/74/84/403677484.db2.gz	KTMNWIFTTRXFFM-PWSUYJOCSA-N	0	0	307.350	2.324	10	5		DEBERN
Cc1cc(NC(=O)CN(C)c2cc(F)ccc2[N+](=O)[O-])no1	ZINC000302840459	403733495	/nfs/dbraw/zinc/73/34/95/403733495.db2.gz	CFGVPPXYCDNKNL-UHFFFAOYSA-N	0	0	308.269	2.105	10	5		DEBERN
CC(=O)c1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1Cl	ZINC000341310682	403900548	/nfs/dbraw/zinc/90/05/48/403900548.db2.gz	UKAOMTVFRDJKBR-UHFFFAOYSA-N	0	0	322.708	2.437	10	5		DEBERN
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[C@@H]1C	ZINC000297092066	404447446	/nfs/dbraw/zinc/44/74/46/404447446.db2.gz	NYDLSXNOSAZBAM-BDAKNGLRSA-N	0	0	302.327	2.071	10	5		DEBERN
O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H]2CCC[C@H]21	ZINC000408158650	405126532	/nfs/dbraw/zinc/12/65/32/405126532.db2.gz	LTURKTYOMIWXDN-NOZJJQNGSA-N	0	0	300.318	2.486	10	5		DEBERN
O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCOCC2(CC2)C1	ZINC000408176818	405131349	/nfs/dbraw/zinc/13/13/49/405131349.db2.gz	JKUIDOFMSIWQBI-UHFFFAOYSA-N	0	0	315.329	2.329	10	5		DEBERN
C/C=C\C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCC	ZINC000361539215	405122120	/nfs/dbraw/zinc/12/21/20/405122120.db2.gz	UVSOUYLTZOJWIG-DXTPNHAXSA-N	0	0	306.318	2.223	10	5		DEBERN
CS(=O)(=O)CC1CCC(Nc2ccc([N+](=O)[O-])nc2)CC1	ZINC000450580769	405963911	/nfs/dbraw/zinc/96/39/11/405963911.db2.gz	MZVQXASRLDVSMS-UHFFFAOYSA-N	0	0	313.379	2.005	10	5		DEBERN
CC(=O)N(C)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cn1	ZINC000532139156	406049639	/nfs/dbraw/zinc/04/96/39/406049639.db2.gz	MYLIZKVPMGOXDD-UHFFFAOYSA-N	0	0	314.301	2.225	10	5		DEBERN
CCOc1cc(N2CCO[C@]3(CCCOC3)C2)ccc1[N+](=O)[O-]	ZINC000519726139	406243254	/nfs/dbraw/zinc/24/32/54/406243254.db2.gz	LQHJDIZWRGOLBP-MRXNPFEDSA-N	0	0	322.361	2.379	10	5		DEBERN
CN1CCO[C@H](CN(CC2CC2)c2ccccc2[N+](=O)[O-])C1	ZINC000570141961	406351539	/nfs/dbraw/zinc/35/15/39/406351539.db2.gz	AROZXRVTURQLSC-AWEZNQCLSA-N	0	0	305.378	2.142	10	5		DEBERN
NC(=O)c1cc([N+](=O)[O-])c(OC(F)F)cc1Br	ZINC000575683268	406817859	/nfs/dbraw/zinc/81/78/59/406817859.db2.gz	OMUFITBPAVCXDP-UHFFFAOYSA-N	0	0	311.038	2.058	10	5		DEBERN
CCOc1cc(C=O)c(I)cc1[N+](=O)[O-]	ZINC000575698258	406819484	/nfs/dbraw/zinc/81/94/84/406819484.db2.gz	IDPPDGCXQYUGFM-UHFFFAOYSA-N	0	0	321.070	2.411	10	5		DEBERN
COC(=O)Cc1c(OC)ccc(Br)c1[N+](=O)[O-]	ZINC000575713051	406822271	/nfs/dbraw/zinc/82/22/71/406822271.db2.gz	SWEGUWKPUIZCTM-UHFFFAOYSA-N	0	0	304.096	2.081	10	5		DEBERN
CCOC(=O)[C@H]1CCCN1c1cc(F)cc(F)c1[N+](=O)[O-]	ZINC000129400282	196045083	/nfs/dbraw/zinc/04/50/83/196045083.db2.gz	GSHGSRXEHQQMFK-SNVBAGLBSA-N	0	0	300.261	2.405	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)cc1F	ZINC000129869557	196081497	/nfs/dbraw/zinc/08/14/97/196081497.db2.gz	MZPBVEYTHFCYEW-AOOOYVTPSA-N	0	0	314.338	2.155	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccsc2)cc1F	ZINC000129864314	196081913	/nfs/dbraw/zinc/08/19/13/196081913.db2.gz	CDNJPAZHLLHTRI-UHFFFAOYSA-N	0	0	316.335	2.274	10	5		DEBERN
Cc1c(Br)c(N[C@H](C)[C@H](C)CO)ncc1[N+](=O)[O-]	ZINC000131665162	196189228	/nfs/dbraw/zinc/18/92/28/196189228.db2.gz	CWABYOXUCYBUFW-HTRCEHHLSA-N	0	0	318.171	2.490	10	5		DEBERN
Nc1cc(S(=O)(=O)Nc2ccccc2F)ccc1[N+](=O)[O-]	ZINC000131809690	196201142	/nfs/dbraw/zinc/20/11/42/196201142.db2.gz	HNPRUXQLTPEGHC-UHFFFAOYSA-N	0	0	311.294	2.117	10	5		DEBERN
CCCN(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(NC)c1	ZINC000131898149	196208589	/nfs/dbraw/zinc/20/85/89/196208589.db2.gz	VFJWLYWROJVMHC-UHFFFAOYSA-N	0	0	313.379	2.200	10	5		DEBERN
C[C@@H](O)c1cc([N+](=O)[O-])c(N(C)[C@H]2CCCC[C@@H]2O)s1	ZINC000131975504	196215686	/nfs/dbraw/zinc/21/56/86/196215686.db2.gz	RQXXRRWKSWSCTN-YWVKMMECSA-N	0	0	300.380	2.449	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@@H](C)C1	ZINC000132075666	196224348	/nfs/dbraw/zinc/22/43/48/196224348.db2.gz	KKBWVLSFSODCOL-ZJUUUORDSA-N	0	0	314.363	2.070	10	5		DEBERN
COc1cc([N+](=O)[O-])ccc1OCc1nnc(C)n1C1CC1	ZINC000132222136	196236487	/nfs/dbraw/zinc/23/64/87/196236487.db2.gz	QDTYESXPJQEALM-UHFFFAOYSA-N	0	0	304.306	2.417	10	5		DEBERN
CCOc1ccc(N[C@@H](C)CS(=O)(=O)CC)c([N+](=O)[O-])c1	ZINC000132243334	196238981	/nfs/dbraw/zinc/23/89/81/196238981.db2.gz	XTAGSEOKOSEVBT-JTQLQIEISA-N	0	0	316.379	2.229	10	5		DEBERN
CN(CC(F)F)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000132767923	196281856	/nfs/dbraw/zinc/28/18/56/196281856.db2.gz	WAKCALBUMCOKRN-UHFFFAOYSA-N	0	0	314.697	2.134	10	5		DEBERN
CCCNc1ccc([N+](=O)[O-])c(S(=O)(=O)NC2(C)CC2)c1	ZINC000134126066	196363230	/nfs/dbraw/zinc/36/32/30/196363230.db2.gz	REBOSVXVORQZAR-UHFFFAOYSA-N	0	0	313.379	2.248	10	5		DEBERN
C[C@@](CO)(Nc1ncnc(Cl)c1[N+](=O)[O-])c1ccccc1	ZINC000134369014	196382578	/nfs/dbraw/zinc/38/25/78/196382578.db2.gz	SOSFDEPHUOXVGR-ZDUSSCGKSA-N	0	0	308.725	2.358	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC1(CCO)CC1	ZINC000188010229	225006620	/nfs/dbraw/zinc/00/66/20/225006620.db2.gz	SLBRWPIOFCPHFG-UHFFFAOYSA-N	0	0	306.362	2.412	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(C)c(F)c2)n1	ZINC000191479317	225111616	/nfs/dbraw/zinc/11/16/16/225111616.db2.gz	DGUHYQFNDGNOMD-UHFFFAOYSA-N	0	0	306.297	2.189	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(SC)cc2)n1	ZINC000191572891	225113196	/nfs/dbraw/zinc/11/31/96/225113196.db2.gz	FWWHIFXWTAWSMB-UHFFFAOYSA-N	0	0	320.374	2.463	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)Cc2cccs2)n1	ZINC000191635829	225114559	/nfs/dbraw/zinc/11/45/59/225114559.db2.gz	ZQKMKGQCTFOLSD-JTQLQIEISA-N	0	0	322.390	2.481	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCCc2ccc(C)cc2)n1	ZINC000191817046	225117779	/nfs/dbraw/zinc/11/77/79/225117779.db2.gz	AGKUIAMJQLYAJZ-UHFFFAOYSA-N	0	0	302.334	2.092	10	5		DEBERN
Cc1nn(C)c(C)c1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000192719915	267743604	/nfs/dbraw/zinc/74/36/04/267743604.db2.gz	CRGFLWXXRCGFIW-UHFFFAOYSA-N	0	0	317.349	2.309	10	5		DEBERN
CCC1(CC)CN(c2ncc([N+](=O)[O-])cc2C)CC[S@]1=O	ZINC000302233988	276217037	/nfs/dbraw/zinc/21/70/37/276217037.db2.gz	ZMWWGBFYVFOGNN-NRFANRHFSA-N	0	0	311.407	2.426	10	5		DEBERN
COC(=O)c1cc(N2CCO[C@H](C)[C@@H]2C)cc(C)c1[N+](=O)[O-]	ZINC000268837076	277423458	/nfs/dbraw/zinc/42/34/58/277423458.db2.gz	URKYFGRMIKNHBZ-WDEREUQCSA-N	0	0	308.334	2.303	10	5		DEBERN
O=C(N[C@H]1Cc2ccccc2[C@@H]1O)c1ccc(F)cc1[N+](=O)[O-]	ZINC000178684824	280000604	/nfs/dbraw/zinc/00/06/04/280000604.db2.gz	WWXPFXMMCUIMCL-ZFWWWQNUSA-N	0	0	316.288	2.122	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2CC[C@H](O)[C@@H]2C1	ZINC000123376146	280191044	/nfs/dbraw/zinc/19/10/44/280191044.db2.gz	FQZALDIMVNSIMR-KDDOJWQBSA-N	0	0	310.737	2.091	10	5		DEBERN
C[C@H](C(=O)N1CCOCC[C@H]1C)c1ccc([N+](=O)[O-])cc1F	ZINC000363808753	289290057	/nfs/dbraw/zinc/29/00/57/289290057.db2.gz	AJEMUCNULIIPIN-MNOVXSKESA-N	0	0	310.325	2.475	10	5		DEBERN
Cc1cnc(N2CC(C)(C)O[C@]3(CCCOC3)C2)c([N+](=O)[O-])c1	ZINC000408336479	302347618	/nfs/dbraw/zinc/34/76/18/302347618.db2.gz	AOCOHMOAVYIFJR-MRXNPFEDSA-N	0	0	321.377	2.463	10	5		DEBERN
C[C@@H](C(=O)N1CCOCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1F	ZINC000363808760	524130224	/nfs/dbraw/zinc/13/02/24/524130224.db2.gz	AJEMUCNULIIPIN-WDEREUQCSA-N	0	0	310.325	2.475	10	5		DEBERN
Cc1csc([C@H]2COCCN2c2ccc([N+](=O)[O-])cn2)n1	ZINC000189135229	526446512	/nfs/dbraw/zinc/44/65/12/526446512.db2.gz	KPZZYDKHVOVTOV-LLVKDONJSA-N	0	0	306.347	2.333	10	5		DEBERN
O=c1c2cc3ccccc3cc2ncn1C[C@H](O)C(F)(F)F	ZINC000158077955	527463317	/nfs/dbraw/zinc/46/33/17/527463317.db2.gz	JJLYOSVZRDHWPA-ZDUSSCGKSA-N	0	0	308.259	2.473	10	5		DEBERN
CCCCOC[C@H](O)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1	ZINC000193383233	528627583	/nfs/dbraw/zinc/62/75/83/528627583.db2.gz	AVXFWTXLDHYZSB-CYBMUJFWSA-N	0	0	320.349	2.031	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(N(C)C)c2C)n1	ZINC000191700392	529154676	/nfs/dbraw/zinc/15/46/76/529154676.db2.gz	MCGUGKFDBWDUPX-UHFFFAOYSA-N	0	0	317.349	2.438	10	5		DEBERN
C[C@@H](CC(=O)OCCn1cnc([N+](=O)[O-])n1)c1ccccc1F	ZINC000176686909	624911016	/nfs/dbraw/zinc/91/10/16/624911016.db2.gz	TWQXJGDCFZPTKR-JTQLQIEISA-N	0	0	322.296	2.062	10	5		DEBERN
COCc1csc(NC(=O)c2cccc([N+](=O)[O-])c2N)n1	ZINC000176721200	624928470	/nfs/dbraw/zinc/92/84/70/624928470.db2.gz	NYMPHOXETOHQCD-UHFFFAOYSA-N	0	0	308.319	2.032	10	5		DEBERN
CC[S@@](=O)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000734512158	633384259	/nfs/dbraw/zinc/38/42/59/633384259.db2.gz	DXMXKQDOUBMEQB-HXUWFJFHSA-N	0	0	319.770	2.138	10	5		DEBERN
C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1cc([N+](=O)[O-])cn1	ZINC000126179537	636171504	/nfs/dbraw/zinc/17/15/04/636171504.db2.gz	CMNOVCPAMSBJRT-VIFPVBQESA-N	0	0	303.278	2.108	10	5		DEBERN
O=C(OCC1CCC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000744198372	638201440	/nfs/dbraw/zinc/20/14/40/638201440.db2.gz	CYXGKHRATCQDPZ-NSHDSACASA-N	0	0	322.317	2.136	10	5		DEBERN
CCOC(=O)[C@H](CC1CC1)NC(=O)c1cc(C)ccc1[N+](=O)[O-]	ZINC000752381080	639177693	/nfs/dbraw/zinc/17/76/93/639177693.db2.gz	BNNZRLYOVNBLPR-ZDUSSCGKSA-N	0	0	320.345	2.365	10	5		DEBERN
CCOC(=O)[C@H](CC1CC1)NC(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000752385794	639178722	/nfs/dbraw/zinc/17/87/22/639178722.db2.gz	WCYNJMYGLYRNHX-ZDUSSCGKSA-N	0	0	324.308	2.196	10	5		DEBERN
C/C(=C\C(=O)Nc1c[nH]c(C(N)=O)c1)c1ccc([N+](=O)[O-])cc1	ZINC000752538757	639194965	/nfs/dbraw/zinc/19/49/65/639194965.db2.gz	KSJSALZKBFWLBV-RMKNXTFCSA-N	0	0	314.301	2.064	10	5		DEBERN
O=C(Cn1cnc([N+](=O)[O-])n1)O[C@@H]1CC[C@@H]2CCCC[C@H]2C1	ZINC000729080153	640032214	/nfs/dbraw/zinc/03/22/14/640032214.db2.gz	XVEDDMLVSMXETP-SDDRHHMPSA-N	0	0	308.338	2.088	10	5		DEBERN
C[C@@H]1CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ncc1Br	ZINC000310936593	640423358	/nfs/dbraw/zinc/42/33/58/640423358.db2.gz	MWCWXYFAGDITEL-HZGVNTEJSA-N	0	0	314.139	2.281	10	5		DEBERN
CC(C)[C@H](OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C	ZINC000729694826	640827354	/nfs/dbraw/zinc/82/73/54/640827354.db2.gz	FZODXJRBAYCYDH-VSGCLNPGSA-N	0	0	320.345	2.264	10	5		DEBERN
Cc1cc(C(=O)O[C@H](C(=O)N(C)C)C(C)C)cc([N+](=O)[O-])c1	ZINC000729708873	640830184	/nfs/dbraw/zinc/83/01/84/640830184.db2.gz	NJBAJUWCPDOBNJ-ZDUSSCGKSA-N	0	0	308.334	2.173	10	5		DEBERN
Cc1cc(C(=O)NCc2cccc(C)n2)c(N)c([N+](=O)[O-])c1	ZINC000104856186	650798853	/nfs/dbraw/zinc/79/88/53/650798853.db2.gz	XDJSUDTZLGRQML-UHFFFAOYSA-N	0	0	300.318	2.119	10	5		DEBERN
C[C@@H]1[C@@H](O)CCCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1	ZINC000908697750	644959903	/nfs/dbraw/zinc/95/99/03/644959903.db2.gz	VUGZMPNAJIUKPI-HQJQHLMTSA-N	0	0	316.716	2.373	10	5		DEBERN
C[C@@H](C(=O)N1CCO[C@@H](C(F)F)C1)c1cccc([N+](=O)[O-])c1	ZINC000801009661	645329825	/nfs/dbraw/zinc/32/98/25/645329825.db2.gz	RIAMGEZGQBUATF-BXKDBHETSA-N	0	0	314.288	2.191	10	5		DEBERN
CCOc1ccc([N+](=O)[O-])cc1CN1CCO[C@H](C(F)F)C1	ZINC000801565912	645417295	/nfs/dbraw/zinc/41/72/95/645417295.db2.gz	JWWIWOZRIAAGFG-ZDUSSCGKSA-N	0	0	316.304	2.459	10	5		DEBERN
CCOc1ccc(C(=O)OCCCC(=O)N(C)C)cc1[N+](=O)[O-]	ZINC000802986417	645592189	/nfs/dbraw/zinc/59/21/89/645592189.db2.gz	SJGOUEDNBODHNX-UHFFFAOYSA-N	0	0	324.333	2.019	10	5		DEBERN
Cc1nn(C)c(C(=O)OC[C@H]2Cc3ccccc32)c1[N+](=O)[O-]	ZINC000803309162	645634052	/nfs/dbraw/zinc/63/40/52/645634052.db2.gz	QHNYOTOXCVHBMB-LLVKDONJSA-N	0	0	301.302	2.133	10	5		DEBERN
COCCOC1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1	ZINC000172018580	646719332	/nfs/dbraw/zinc/71/93/32/646719332.db2.gz	LYFWFHBKZXXMHT-UHFFFAOYSA-N	0	0	312.341	2.361	10	5		DEBERN
COc1cccc([C@H](C)OC(=O)Cn2ccc([N+](=O)[O-])n2)c1	ZINC000174858102	648056467	/nfs/dbraw/zinc/05/64/67/648056467.db2.gz	FFDSMGHRCUEUDL-JTQLQIEISA-N	0	0	305.290	2.104	10	5		DEBERN
Cc1ccc([C@@H](C)OC(=O)CCCCNC(N)=O)cc1[N+](=O)[O-]	ZINC000119052011	684076249	/nfs/dbraw/zinc/07/62/49/684076249.db2.gz	ONYHOBWVGYUEIS-LLVKDONJSA-N	0	0	323.349	2.346	10	5		DEBERN
CCOCCOCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000123430752	684125196	/nfs/dbraw/zinc/12/51/96/684125196.db2.gz	SWSSSRRSRIDONO-UHFFFAOYSA-N	0	0	302.714	2.240	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(CCOc2ccc([N+](=O)[O-])cc2)c1=O	ZINC000127183226	684161060	/nfs/dbraw/zinc/16/10/60/684161060.db2.gz	LHAUPAMGBXQHTR-UHFFFAOYSA-N	0	0	319.273	2.052	10	5		DEBERN
O=[N+]([O-])c1c(F)cccc1NCC[C@H]1CCCS1(=O)=O	ZINC000714329896	792309659	/nfs/dbraw/zinc/30/96/59/792309659.db2.gz	JEYWUMAGCZXVRD-SECBINFHSA-N	0	0	302.327	2.113	10	5		DEBERN
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCC[C@@H](C)F	ZINC000702638958	1086448324	/nfs/dbraw/zinc/44/83/24/1086448324.db2.gz	IIHRTXREBIXZST-MRVPVSSYSA-N	0	0	308.306	2.069	10	5		DEBERN
C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ncc2Br)[C@@H]1C	ZINC000706931748	1086655673	/nfs/dbraw/zinc/65/56/73/1086655673.db2.gz	XLHUEDBVPZLNSE-RNFRBKRXSA-N	0	0	314.139	2.233	10	5		DEBERN
CC(C)C[C@H](CO)NC(=O)c1cc(F)c([N+](=O)[O-])cc1F	ZINC000162175375	197549821	/nfs/dbraw/zinc/54/98/21/197549821.db2.gz	XPRGLXGODWGCIQ-MRVPVSSYSA-N	0	0	302.277	2.010	10	5		DEBERN
CC1(C)C[C@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000152493142	282146440	/nfs/dbraw/zinc/14/64/40/282146440.db2.gz	VCDSQAIGZGHEMV-JQWIXIFHSA-N	0	0	304.350	2.049	10	5		DEBERN
Nc1nc2nc[nH]c2c(Oc2ccc(Cl)cc2[N+](=O)[O-])n1	ZINC000165340667	197673590	/nfs/dbraw/zinc/67/35/90/197673590.db2.gz	WTHSCTRVRLOSOO-UHFFFAOYSA-N	0	0	306.669	2.289	10	5		DEBERN
CCNC(=O)[C@@H](C)Nc1cc(Br)ccc1[N+](=O)[O-]	ZINC000087834318	185232702	/nfs/dbraw/zinc/23/27/02/185232702.db2.gz	FAVNHKAOOQWVHH-SSDOTTSWSA-N	0	0	316.155	2.294	10	5		DEBERN
CCc1cnc(CN(C)C(=O)c2nn(CC)cc2[N+](=O)[O-])s1	ZINC000191652314	529643695	/nfs/dbraw/zinc/64/36/95/529643695.db2.gz	DJJDFYFXUSYAQJ-UHFFFAOYSA-N	0	0	323.378	2.102	10	5		DEBERN
CC[C@H](NC(=O)NC1(CO)CCC1)c1cccc([N+](=O)[O-])c1	ZINC000186396853	282274638	/nfs/dbraw/zinc/27/46/38/282274638.db2.gz	RFAJOKSMIKJUFH-ZDUSSCGKSA-N	0	0	307.350	2.260	10	5		DEBERN
COC(=O)[C@@H]1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])C[C@H]1C	ZINC000187992840	282294757	/nfs/dbraw/zinc/29/47/57/282294757.db2.gz	NBIVSCZQFUPKLD-VXGBXAGGSA-N	0	0	320.345	2.174	10	5		DEBERN
CC(C)CCCCNS(=O)(=O)c1cccc(N)c1[N+](=O)[O-]	ZINC000127048570	185915837	/nfs/dbraw/zinc/91/58/37/185915837.db2.gz	XBMWVZBFNQJPQO-UHFFFAOYSA-N	0	0	315.395	2.282	10	5		DEBERN
Cc1ccc(NC(=O)C(=O)N2CCCC2(C)C)cc1[N+](=O)[O-]	ZINC000170848649	197836472	/nfs/dbraw/zinc/83/64/72/197836472.db2.gz	HIZHBVXVUMLLJD-UHFFFAOYSA-N	0	0	305.334	2.243	10	5		DEBERN
CCNc1cccc(S(=O)(=O)N(C)C2CCC2)c1[N+](=O)[O-]	ZINC000144247250	186034819	/nfs/dbraw/zinc/03/48/19/186034819.db2.gz	MPGKCMNRZHMOAI-UHFFFAOYSA-N	0	0	313.379	2.200	10	5		DEBERN
CS(=O)(=O)[C@@H]1CCC[C@@H]1Nc1cc(F)ccc1[N+](=O)[O-]	ZINC000148929529	186046379	/nfs/dbraw/zinc/04/63/79/186046379.db2.gz	KCYBXPCWXMMLER-JOYOIKCWSA-N	0	0	302.327	2.112	10	5		DEBERN
O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(O)cc2)cc1F	ZINC000149021102	186046986	/nfs/dbraw/zinc/04/69/86/186046986.db2.gz	BWSDASGGSOINBI-UHFFFAOYSA-N	0	0	312.278	2.240	10	5		DEBERN
C[C@@H](N)c1nc(C(=O)Nc2cc(F)ccc2[N+](=O)[O-])cs1	ZINC000149106555	186048059	/nfs/dbraw/zinc/04/80/59/186048059.db2.gz	FYMNBLPTRBOWFA-ZCFIWIBFSA-N	0	0	310.310	2.462	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(Cc2nc(-c3ccccc3)no2)c1=O	ZINC000155834677	186117107	/nfs/dbraw/zinc/11/71/07/186117107.db2.gz	IBKBIZYVXKSNFX-UHFFFAOYSA-N	0	0	312.285	2.163	10	5		DEBERN
CC[C@H](C)CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000171772343	197982233	/nfs/dbraw/zinc/98/22/33/197982233.db2.gz	RCXQXEUJVRZAOK-JTQLQIEISA-N	0	0	316.379	2.270	10	5		DEBERN
CC(C)[C@H](O)CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1	ZINC000172629790	198128377	/nfs/dbraw/zinc/12/83/77/198128377.db2.gz	IWWWRPGXZYATKA-OAHLLOKOSA-N	0	0	323.393	2.234	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)C3(CCC3)C2)n1	ZINC000617409664	363123903	/nfs/dbraw/zinc/12/39/03/363123903.db2.gz	HRVHWHALDMJRPK-LLVKDONJSA-N	0	0	306.366	2.464	10	5		DEBERN
Cc1ccc([C@H]2CCCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)o1	ZINC000172668087	198134345	/nfs/dbraw/zinc/13/43/45/198134345.db2.gz	AHNXNUYDONDKIK-CYBMUJFWSA-N	0	0	318.333	2.447	10	5		DEBERN
CCc1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-]	ZINC000174281616	198314288	/nfs/dbraw/zinc/31/42/88/198314288.db2.gz	LXIICFITDAOVSC-ZFWWWQNUSA-N	0	0	306.362	2.438	10	5		DEBERN
Cc1ccc2c(c1)[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H](C)C2	ZINC000182212439	199403707	/nfs/dbraw/zinc/40/37/07/199403707.db2.gz	CWPJNLIMUAFPLK-MEDUHNTESA-N	0	0	314.345	2.149	10	5		DEBERN
NC(=O)c1ccsc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	ZINC000004281499	181093146	/nfs/dbraw/zinc/09/31/46/181093146.db2.gz	UBIFRFSZMKTOFU-ZZXKWVIFSA-N	0	0	317.326	2.407	10	5		DEBERN
Cc1cc(N[C@H]2CCCN(c3ncccn3)C2)ncc1[N+](=O)[O-]	ZINC000074741498	191353450	/nfs/dbraw/zinc/35/34/50/191353450.db2.gz	GPHAAQLAFJVPDX-LBPRGKRZSA-N	0	0	314.349	2.169	10	5		DEBERN
O=[N+]([O-])c1cccnc1N1CCC[C@@H](c2nncn2C2CC2)C1	ZINC000092825894	355652500	/nfs/dbraw/zinc/65/25/00/355652500.db2.gz	XCHVBPYNZUYUKR-LLVKDONJSA-N	0	0	314.349	2.300	10	5		DEBERN
C[C@@H]1CCCCCN1S(=O)(=O)c1cc(N)ccc1[N+](=O)[O-]	ZINC000078672293	191908517	/nfs/dbraw/zinc/90/85/17/191908517.db2.gz	DDAUGXAUDCHAOV-SNVBAGLBSA-N	0	0	313.379	2.130	10	5		DEBERN
Cc1cc(C(=O)NCC(=O)NC[C@@H](C)C(C)C)ccc1[N+](=O)[O-]	ZINC000183656561	356178478	/nfs/dbraw/zinc/17/84/78/356178478.db2.gz	GCZWVKRIESCMEO-GFCCVEGCSA-N	0	0	321.377	2.041	10	5		DEBERN
O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(CO)c(F)c1	ZINC000194213735	356236261	/nfs/dbraw/zinc/23/62/61/356236261.db2.gz	DVHIBUSGFRMSSZ-UHFFFAOYSA-N	0	0	318.304	2.085	10	5		DEBERN
COC(=O)C1(NC(=O)c2ccc([N+](=O)[O-])cc2C)CCCC1	ZINC000195256406	356251699	/nfs/dbraw/zinc/25/16/99/356251699.db2.gz	OPEQYTYLUWCDRR-UHFFFAOYSA-N	0	0	306.318	2.119	10	5		DEBERN
Cc1cccc(CNC(=O)c2ccnc(Cl)c2[N+](=O)[O-])n1	ZINC000088806069	192645213	/nfs/dbraw/zinc/64/52/13/192645213.db2.gz	NGPWXTNEEZBVQD-UHFFFAOYSA-N	0	0	306.709	2.277	10	5		DEBERN
Cc1ccc(CN2CCO[C@@H](C(=O)C3CC3)C2)cc1[N+](=O)[O-]	ZINC000589517519	357477183	/nfs/dbraw/zinc/47/71/83/357477183.db2.gz	GHDLSUAWIMEABY-OAHLLOKOSA-N	0	0	304.346	2.083	10	5		DEBERN
NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CCc2ccc(F)cc21	ZINC000301213015	283368856	/nfs/dbraw/zinc/36/88/56/283368856.db2.gz	YBIDOZBBSVFQHB-ZDUSSCGKSA-N	0	0	316.292	2.327	10	5		DEBERN
Cc1c(Br)c(NC2CC(CO)C2)ncc1[N+](=O)[O-]	ZINC000596565482	358715454	/nfs/dbraw/zinc/71/54/54/358715454.db2.gz	CGGODKVMBLDAAN-UHFFFAOYSA-N	0	0	316.155	2.244	10	5		DEBERN
O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000188468290	200252040	/nfs/dbraw/zinc/25/20/40/200252040.db2.gz	DPKOCTGDBSPKBB-AAEUAGOBSA-N	0	0	313.313	2.229	10	5		DEBERN
COc1cc(O)c2c(=O)c3cccc(O)c3n(C)c2c1OC	ZINC000006072327	181310479	/nfs/dbraw/zinc/31/04/79/181310479.db2.gz	UTEAJHNFBCLZHN-UHFFFAOYSA-N	0	0	301.298	2.120	10	5	endogenous,in-man	DEBERN
COc1ccc(CC(=O)NCc2cnc(C)s2)cc1[N+](=O)[O-]	ZINC000609016580	361275985	/nfs/dbraw/zinc/27/59/85/361275985.db2.gz	PCTNDHUKLLFSII-UHFFFAOYSA-N	0	0	321.358	2.227	10	5		DEBERN
CCC[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000609497070	361315389	/nfs/dbraw/zinc/31/53/89/361315389.db2.gz	LPMMCVNQJFQNAL-QWRGUYRKSA-N	0	0	323.349	2.097	10	5		DEBERN
C[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])c1ccncc1	ZINC000610525956	361417068	/nfs/dbraw/zinc/41/70/68/361417068.db2.gz	BULLUVQJYUXBDJ-LBPRGKRZSA-N	0	0	314.345	2.322	10	5		DEBERN
CCN(CC)C(=O)[C@H]1CCCN1c1nc(C)cc(C)c1[N+](=O)[O-]	ZINC000611616282	361645652	/nfs/dbraw/zinc/64/56/52/361645652.db2.gz	UUGYTVYFYDUPJU-CYBMUJFWSA-N	0	0	320.393	2.444	10	5		DEBERN
COCc1nnc(NC(=O)c2cccc(C)c2[N+](=O)[O-])s1	ZINC000006524759	181350002	/nfs/dbraw/zinc/35/00/02/181350002.db2.gz	ZIFMJEIFGIMVTA-UHFFFAOYSA-N	0	0	308.319	2.153	10	5		DEBERN
CCCc1nn(C)c(-n2cc(Br)cn2)c1[N+](=O)[O-]	ZINC000091578626	193074867	/nfs/dbraw/zinc/07/48/67/193074867.db2.gz	FZDOCPKRAOOPGM-UHFFFAOYSA-N	0	0	314.143	2.229	10	5		DEBERN
Cc1ccc(C)n1Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000091796981	193109712	/nfs/dbraw/zinc/10/97/12/193109712.db2.gz	QTPJGNYARWEFFE-UHFFFAOYSA-N	0	0	309.347	2.292	10	5		DEBERN
CC1(C)CCC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N	ZINC000094332305	193359448	/nfs/dbraw/zinc/35/94/48/193359448.db2.gz	GTKNXLRKKQILMR-LBPRGKRZSA-N	0	0	313.379	2.034	10	5		DEBERN
O=C(CCCCO)Nc1ccc(Br)c([N+](=O)[O-])c1	ZINC000094189002	193347829	/nfs/dbraw/zinc/34/78/29/193347829.db2.gz	AHQLSUFBYNSFMU-UHFFFAOYSA-N	0	0	317.139	2.458	10	5		DEBERN
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC1(C)C	ZINC000094780160	193397497	/nfs/dbraw/zinc/39/74/97/193397497.db2.gz	QLWMZXXRPMIHNL-LLVKDONJSA-N	0	0	302.327	2.119	10	5		DEBERN
CCC(C)(C)N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1C	ZINC000094780677	193397653	/nfs/dbraw/zinc/39/76/53/193397653.db2.gz	GEOCMWMLCBSHBT-UHFFFAOYSA-N	0	0	315.395	2.295	10	5		DEBERN
CCNc1ncnc(Nc2ccc3c(c2)OCO3)c1[N+](=O)[O-]	ZINC000040584111	183105256	/nfs/dbraw/zinc/10/52/56/183105256.db2.gz	GAYCVDOKHNVQAK-UHFFFAOYSA-N	0	0	303.278	2.289	10	5		DEBERN
COCCNc1ncnc(Nc2ccccc2F)c1[N+](=O)[O-]	ZINC000040627603	183111120	/nfs/dbraw/zinc/11/11/20/183111120.db2.gz	AOBNIDKARCUJRK-UHFFFAOYSA-N	0	0	307.285	2.326	10	5		DEBERN
Cc1nc(Sc2ncc(Br)cc2[N+](=O)[O-])n[nH]1	ZINC000042389814	183263632	/nfs/dbraw/zinc/26/36/32/183263632.db2.gz	HQGHGPDECFBVKS-UHFFFAOYSA-N	0	0	316.140	2.330	10	5		DEBERN
CC(C)C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])c(F)cc1F)C(=O)[O-]	ZINC000043434284	183363253	/nfs/dbraw/zinc/36/32/53/183363253.db2.gz	RHIMVUXWKSJVMC-LLVKDONJSA-N	0	0	302.277	2.462	10	5		DEBERN
Nc1c([N+](=O)[O-])cnn1Cc1cc(Br)cs1	ZINC000043669888	183378157	/nfs/dbraw/zinc/37/81/57/183378157.db2.gz	UUFCBLSQSMOFPV-UHFFFAOYSA-N	0	0	303.141	2.246	10	5		DEBERN
Cc1sc(C(=O)NCCCc2cnn(C)c2)cc1[N+](=O)[O-]	ZINC000102621812	193903076	/nfs/dbraw/zinc/90/30/76/193903076.db2.gz	YKLCXYCADRTJTB-UHFFFAOYSA-N	0	0	308.363	2.061	10	5		DEBERN
COC[C@@H](C)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1	ZINC000104874675	194049019	/nfs/dbraw/zinc/04/90/19/194049019.db2.gz	KIFXDVXKISQUFZ-SECBINFHSA-N	0	0	304.306	2.206	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1CS(=O)(=O)c1ccc(C)cn1	ZINC000105519740	194107801	/nfs/dbraw/zinc/10/78/01/194107801.db2.gz	YVZJLMDNRFZJCP-UHFFFAOYSA-N	0	0	322.342	2.281	10	5		DEBERN
COC(=O)c1cc(N2CCC(C)(CO)CC2)cc(C)c1[N+](=O)[O-]	ZINC000273846808	211111020	/nfs/dbraw/zinc/11/10/20/211111020.db2.gz	JAJFTIYIOPDXAD-UHFFFAOYSA-N	0	0	322.361	2.289	10	5		DEBERN
Cn1cc([C@@]2(C)CN(c3cccc(F)c3[N+](=O)[O-])CCO2)cn1	ZINC000268417548	206699440	/nfs/dbraw/zinc/69/94/40/206699440.db2.gz	VYTOWLURBLGTBM-OAHLLOKOSA-N	0	0	320.324	2.219	10	5		DEBERN
CC(C)(C)CCOc1ccc([N+](=O)[O-])cc1S(N)(=O)=O	ZINC000049255414	183722766	/nfs/dbraw/zinc/72/27/66/183722766.db2.gz	NSSUXJDNEVDGDP-UHFFFAOYSA-N	0	0	302.352	2.057	10	5		DEBERN
CCCCN(CC)S(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F	ZINC000050634276	183792108	/nfs/dbraw/zinc/79/21/08/183792108.db2.gz	WVRRDAVZMZUYJJ-UHFFFAOYSA-N	0	0	319.358	2.127	10	5		DEBERN
CC1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2N)CC1	ZINC000050635356	183792650	/nfs/dbraw/zinc/79/26/50/183792650.db2.gz	WIZMFTRQKZYVHJ-UHFFFAOYSA-N	0	0	313.379	2.034	10	5		DEBERN
CC[C@@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1N	ZINC000050651460	183794645	/nfs/dbraw/zinc/79/46/45/183794645.db2.gz	URUAYIMPMBRUHM-SNVBAGLBSA-N	0	0	313.379	2.130	10	5		DEBERN
CCCN(C(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NC	ZINC000050652445	183794760	/nfs/dbraw/zinc/79/47/60/183794760.db2.gz	CJLIHJKWBZPFHK-UHFFFAOYSA-N	0	0	315.395	2.446	10	5		DEBERN
C[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2N)C1	ZINC000050653677	183794979	/nfs/dbraw/zinc/79/49/79/183794979.db2.gz	IWXUYEYSFIGBNX-ZJUUUORDSA-N	0	0	313.379	2.034	10	5		DEBERN
C[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(N)cc2[N+](=O)[O-])C1	ZINC000050653659	183794984	/nfs/dbraw/zinc/79/49/84/183794984.db2.gz	KJBCBHZYUKXHLV-ONGXEEELSA-N	0	0	313.379	2.034	10	5		DEBERN
CNc1ccc(S(=O)(=O)NCC2CCCC2)c([N+](=O)[O-])c1	ZINC000050653330	183795021	/nfs/dbraw/zinc/79/50/21/183795021.db2.gz	ZRMFQVFFXATZNN-UHFFFAOYSA-N	0	0	313.379	2.105	10	5		DEBERN
Nc1ncc(C(=O)NCc2ccccc2[N+](=O)[O-])cc1Cl	ZINC000050709335	183801713	/nfs/dbraw/zinc/80/17/13/183801713.db2.gz	UEIMRBDDDYTPGP-UHFFFAOYSA-N	0	0	306.709	2.155	10	5		DEBERN
Cc1cc(NC(=O)c2cc(Cl)c(NN)c([N+](=O)[O-])c2)on1	ZINC000051089055	183814034	/nfs/dbraw/zinc/81/40/34/183814034.db2.gz	HNDCGPKGJOJISQ-UHFFFAOYSA-N	0	0	311.685	2.083	10	5		DEBERN
COC(=O)[C@H](C)Nc1cc([N+](=O)[O-])ccc1Br	ZINC000159347126	197346413	/nfs/dbraw/zinc/34/64/13/197346413.db2.gz	YVLFTQWVQWXQFR-LURJTMIESA-N	0	0	303.112	2.331	10	5		DEBERN
CCNc1ccc(CSCCS(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000111007208	194382131	/nfs/dbraw/zinc/38/21/31/194382131.db2.gz	XZFKNQYTLBGFPY-UHFFFAOYSA-N	0	0	318.420	2.304	10	5		DEBERN
COc1ccc(C(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])nn1	ZINC000061977889	184199366	/nfs/dbraw/zinc/19/93/66/184199366.db2.gz	YBVUWCMJBRDGII-UHFFFAOYSA-N	0	0	308.681	2.299	10	5		DEBERN
CN(Cc1ccco1)S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000064242807	184293260	/nfs/dbraw/zinc/29/32/60/184293260.db2.gz	UUUWJRJPQDMMCA-UHFFFAOYSA-N	0	0	302.333	2.070	10	5		DEBERN
CCCC(=O)NCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C	ZINC000064883712	184305699	/nfs/dbraw/zinc/30/56/99/184305699.db2.gz	CQWCIIDSLVHEEN-UHFFFAOYSA-N	0	0	321.377	2.248	10	5		DEBERN
CN(C(C1CC1)C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000065266566	184319053	/nfs/dbraw/zinc/31/90/53/184319053.db2.gz	XHXYOWWZOCKQJR-UHFFFAOYSA-N	0	0	316.404	2.465	10	5		DEBERN
C[C@H](C[C@](C)([NH3+])C(=O)[O-])Oc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000068658261	184496520	/nfs/dbraw/zinc/49/65/20/184496520.db2.gz	IPIAQEJSVFKPMX-KRTXAFLBSA-N	0	0	302.714	2.208	10	5		DEBERN
CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])C1	ZINC000537136683	284984249	/nfs/dbraw/zinc/98/42/49/284984249.db2.gz	USWXTTONNPCKDE-MEDUHNTESA-N	0	0	319.361	2.031	10	5		DEBERN
CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3ccccc3[N+](=O)[O-])[C@@H]2C1	ZINC000120078842	195091670	/nfs/dbraw/zinc/09/16/70/195091670.db2.gz	KYFVTNODOJNAGB-DFBGVHRSSA-N	0	0	320.345	2.003	10	5		DEBERN
O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CCCc2cc(F)ccc21	ZINC000157624623	197202713	/nfs/dbraw/zinc/20/27/13/197202713.db2.gz	JINNCRCJWSFMQP-CYBMUJFWSA-N	0	0	318.308	2.124	10	5		DEBERN
CCCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(NC)s1	ZINC000157538281	197195254	/nfs/dbraw/zinc/19/52/54/197195254.db2.gz	UXNVMJSRWNDMQM-UHFFFAOYSA-N	0	0	307.397	2.119	10	5		DEBERN
CNc1nnc(COc2cc(F)c([N+](=O)[O-])cc2F)s1	ZINC000157113728	197162990	/nfs/dbraw/zinc/16/29/90/197162990.db2.gz	SLZIFZDOHIAHRL-UHFFFAOYSA-N	0	0	302.262	2.345	10	5		DEBERN
CCOC(=O)C(C)(C)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1	ZINC000156025265	197081711	/nfs/dbraw/zinc/08/17/11/197081711.db2.gz	ZVKMLSKOGPRTLJ-UHFFFAOYSA-N	0	0	314.725	2.320	10	5		DEBERN
CC(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])cnc2C)c1	ZINC000560670437	291944553	/nfs/dbraw/zinc/94/45/53/291944553.db2.gz	ORJKYKGUDCDION-UHFFFAOYSA-N	0	0	313.313	2.431	10	5		DEBERN
COC[C@@](C)(NC(=O)Cc1ccccc1[N+](=O)[O-])C(F)(F)F	ZINC000362201031	285314974	/nfs/dbraw/zinc/31/49/74/285314974.db2.gz	FUTVVGJDOVEMPY-GFCCVEGCSA-N	0	0	320.267	2.221	10	5		DEBERN
CN(C)C(=O)c1ccc([N+](=O)[O-])c(NCc2cncs2)c1	ZINC000128198366	195944569	/nfs/dbraw/zinc/94/45/69/195944569.db2.gz	PAZLKIAKMGQUIT-UHFFFAOYSA-N	0	0	306.347	2.365	10	5		DEBERN
CC(C)OCc1nc([C@H](C)Nc2ccc([N+](=O)[O-])nc2)no1	ZINC000357782121	133099922	/nfs/dbraw/zinc/09/99/22/133099922.db2.gz	MPSRKANMBVBGPB-VIFPVBQESA-N	0	0	307.310	2.471	10	5		DEBERN
Cc1c(CN2CCO[C@H](C(=O)C3CC3)C2)cccc1[N+](=O)[O-]	ZINC000548169519	285698672	/nfs/dbraw/zinc/69/86/72/285698672.db2.gz	GTQMUKQSBSLZBG-HNNXBMFYSA-N	0	0	304.346	2.083	10	5		DEBERN
COc1cnccc1[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000189674775	145031971	/nfs/dbraw/zinc/03/19/71/145031971.db2.gz	OAFLXUBAWXYREU-NSHDSACASA-N	0	0	315.329	2.418	10	5		DEBERN
CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCN(C)C(=O)C1	ZINC000191081992	145052774	/nfs/dbraw/zinc/05/27/74/145052774.db2.gz	JSTKHWPPTZAORU-UHFFFAOYSA-N	0	0	321.377	2.046	10	5		DEBERN
[NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCCCCC1	ZINC000262219699	145270185	/nfs/dbraw/zinc/27/01/85/145270185.db2.gz	PBAZHSAMJZSTEK-UHFFFAOYSA-N	0	0	307.350	2.082	10	5		DEBERN
O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1C[C@H]1c1ccccc1	ZINC000110440275	401690032	/nfs/dbraw/zinc/69/00/32/401690032.db2.gz	ZESQROUOHUISND-HIFRSBDPSA-N	0	0	314.345	2.101	10	5		DEBERN
Cc1nn(C)c(C(=O)NC/C=C/c2ccccc2)c1[N+](=O)[O-]	ZINC000112583666	401750112	/nfs/dbraw/zinc/75/01/12/401750112.db2.gz	UAMFWOOFKDDVAE-RMKNXTFCSA-N	0	0	300.318	2.080	10	5		DEBERN
O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCCc2n[nH]cc21	ZINC000134620414	401909131	/nfs/dbraw/zinc/90/91/31/401909131.db2.gz	MNDXBYSOJBLKQJ-LLVKDONJSA-N	0	0	300.318	2.054	10	5		DEBERN
CCOC(=O)CC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000089801724	401964670	/nfs/dbraw/zinc/96/46/70/401964670.db2.gz	NJRAQLCFCBMVFG-LLVKDONJSA-N	0	0	308.334	2.365	10	5		DEBERN
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@@H]1Cc1cccc(F)c1	ZINC000136621675	401970105	/nfs/dbraw/zinc/97/01/05/401970105.db2.gz	YZCARFJYSRQEPX-GFCCVEGCSA-N	0	0	318.308	2.304	10	5		DEBERN
O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCC[C@H]1CO	ZINC000151059600	402013834	/nfs/dbraw/zinc/01/38/34/402013834.db2.gz	CVANVHBNYVVVPY-SMDDNHRTSA-N	0	0	324.402	2.354	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(O)CCCC[C@H]2C1	ZINC000151330305	402030242	/nfs/dbraw/zinc/03/02/42/402030242.db2.gz	ULKKLQRRSWSHPO-BLLLJJGKSA-N	0	0	319.361	2.065	10	5		DEBERN
CC[C@@H](NC(=O)[C@@H](C)CC(=O)OC)c1cccc([N+](=O)[O-])c1	ZINC000151429996	402036373	/nfs/dbraw/zinc/03/63/73/402036373.db2.gz	CLDNUAMTXFPKHN-GXFFZTMASA-N	0	0	308.334	2.361	10	5		DEBERN
C[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccs1	ZINC000048879783	402008402	/nfs/dbraw/zinc/00/84/02/402008402.db2.gz	LJYIYPMIJUTBRU-VIFPVBQESA-N	0	0	319.342	2.472	10	5		DEBERN
Cc1cccc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n1	ZINC000055277078	402078799	/nfs/dbraw/zinc/07/87/99/402078799.db2.gz	JKTUARPLXJBRCG-UHFFFAOYSA-N	0	0	321.358	2.085	10	5		DEBERN
Cc1sc(C(=O)N[C@@H](C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-]	ZINC000152960043	402119211	/nfs/dbraw/zinc/11/92/11/402119211.db2.gz	KQQBLPURTHFTMZ-ZETCQYMHSA-N	0	0	314.363	2.425	10	5		DEBERN
Cc1cc(NC(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)ccc1[N+](=O)[O-]	ZINC000153738366	402166830	/nfs/dbraw/zinc/16/68/30/402166830.db2.gz	YUNNCYAZBPFFNP-MNOVXSKESA-N	0	0	320.349	2.069	10	5		DEBERN
COC(=O)c1ccc(CNC(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000068768301	402205246	/nfs/dbraw/zinc/20/52/46/402205246.db2.gz	HNCBWVKYXMEPJP-UHFFFAOYSA-N	0	0	314.297	2.311	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@H]1CCOC1	ZINC000184543678	402273225	/nfs/dbraw/zinc/27/32/25/402273225.db2.gz	XKPFYTGKIRWBHJ-BRADTZPFSA-N	0	0	304.346	2.493	10	5		DEBERN
O=C(NCc1ccccc1[N+](=O)[O-])c1cnn2c1CCCC2	ZINC000126294009	402274156	/nfs/dbraw/zinc/27/41/56/402274156.db2.gz	AGXRTWBDXXIJOL-UHFFFAOYSA-N	0	0	300.318	2.058	10	5		DEBERN
Cc1c(CC(=O)N(C)[C@@H](CO)CC(C)C)cccc1[N+](=O)[O-]	ZINC000184598522	402281522	/nfs/dbraw/zinc/28/15/22/402281522.db2.gz	DJWKDCFOFQYFFR-CQSZACIVSA-N	0	0	308.378	2.311	10	5		DEBERN
CCN1CCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1	ZINC000184780942	402299443	/nfs/dbraw/zinc/29/94/43/402299443.db2.gz	YEWVISMAMOEDSV-OUKQBFOZSA-N	0	0	303.362	2.162	10	5		DEBERN
CCc1ccc(C(=O)N2CC(OCCCOC)C2)cc1[N+](=O)[O-]	ZINC000176507501	402315854	/nfs/dbraw/zinc/31/58/54/402315854.db2.gz	XZJFIKFESUMFAV-UHFFFAOYSA-N	0	0	322.361	2.035	10	5		DEBERN
COc1cccc(N2CC[C@@H](c3cnn(C)c3)C2)c1[N+](=O)[O-]	ZINC000185430848	402351895	/nfs/dbraw/zinc/35/18/95/402351895.db2.gz	KLGXMAGUSPHBGM-LLVKDONJSA-N	0	0	302.334	2.331	10	5		DEBERN
O=C(NCc1ccc(CO)c(F)c1)c1ccc(F)cc1[N+](=O)[O-]	ZINC000176698268	402329275	/nfs/dbraw/zinc/32/92/75/402329275.db2.gz	OLXUQWXHGOOSNS-UHFFFAOYSA-N	0	0	322.267	2.295	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCO[C@@H]1C(C)C	ZINC000177952189	402446549	/nfs/dbraw/zinc/44/65/49/402446549.db2.gz	RPWBFENAKDKIRE-IUODEOHRSA-N	0	0	321.377	2.479	10	5		DEBERN
Cc1c(Br)c(NCC[C@@H](C)O)ncc1[N+](=O)[O-]	ZINC000165777950	402478210	/nfs/dbraw/zinc/47/82/10/402478210.db2.gz	QGIPXSCSSHCTBY-ZCFIWIBFSA-N	0	0	304.144	2.244	10	5		DEBERN
Cc1cc(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)ccc1[N+](=O)[O-]	ZINC000178322015	402484581	/nfs/dbraw/zinc/48/45/81/402484581.db2.gz	DKCCRUBROGIRGY-ZBFHGGJFSA-N	0	0	312.325	2.291	10	5		DEBERN
CN(C[C@@H]1CCCO1)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2	ZINC000171069898	402554156	/nfs/dbraw/zinc/55/41/56/402554156.db2.gz	UMOLWQFTWBMATN-NSHDSACASA-N	0	0	305.334	2.095	10	5		DEBERN
Cc1sc(C(=O)N[C@H]2Cc3ccccc3[C@H]2O)cc1[N+](=O)[O-]	ZINC000178704942	402528726	/nfs/dbraw/zinc/52/87/26/402528726.db2.gz	LAQNTUUCJICASH-SMDDNHRTSA-N	0	0	318.354	2.353	10	5		DEBERN
Cc1sc(C(=O)NC[C@H](O)CC(C)(C)C)cc1[N+](=O)[O-]	ZINC000172306423	402648902	/nfs/dbraw/zinc/64/89/02/402648902.db2.gz	DBSRLIHIMBWQLG-SECBINFHSA-N	0	0	300.380	2.492	10	5		DEBERN
Cc1cccc(C(=O)N2C[C@H]3CCC[C@@H](C2)C3O)c1[N+](=O)[O-]	ZINC000172352413	402651645	/nfs/dbraw/zinc/65/16/45/402651645.db2.gz	GYVJNJXIFIOESX-ODOQXGPZSA-N	0	0	304.346	2.136	10	5		DEBERN
O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)C2O	ZINC000172372857	402652788	/nfs/dbraw/zinc/65/27/88/402652788.db2.gz	YIHGBLUGXMTRMI-XFLKPENQSA-N	0	0	324.764	2.481	10	5		DEBERN
CSCCCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000172462643	402657527	/nfs/dbraw/zinc/65/75/27/402657527.db2.gz	PVLLGDBIXDKXFY-UHFFFAOYSA-N	0	0	318.420	2.325	10	5		DEBERN
CCn1nc(C)c([N+](=O)[O-])c1NCCc1c(C)nn(C)c1C	ZINC000192489386	402732486	/nfs/dbraw/zinc/73/24/86/402732486.db2.gz	DLFMYOKTDKYGFP-UHFFFAOYSA-N	0	0	306.370	2.125	10	5		DEBERN
C[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCO1	ZINC000183150437	402742946	/nfs/dbraw/zinc/74/29/46/402742946.db2.gz	OYRLLSNGIYPOGC-GXFFZTMASA-N	0	0	318.333	2.302	10	5		DEBERN
CC(C)c1csc(NC(=O)c2cc([N+](=O)[O-])cnc2N)n1	ZINC000183266063	402751476	/nfs/dbraw/zinc/75/14/76/402751476.db2.gz	ZVCACKQTJLDWPG-UHFFFAOYSA-N	0	0	307.335	2.404	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@](C)(O)C1	ZINC000183614274	402781588	/nfs/dbraw/zinc/78/15/88/402781588.db2.gz	NPCHOCHEPBXGOR-TYZQSYOASA-N	0	0	304.346	2.372	10	5		DEBERN
O=C(NCc1ccc(Cl)cn1)Nc1ccncc1[N+](=O)[O-]	ZINC000183614020	402781712	/nfs/dbraw/zinc/78/17/12/402781712.db2.gz	XRJGCBLJXGQSBR-UHFFFAOYSA-N	0	0	307.697	2.360	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(CO)CC1	ZINC000183347189	402758742	/nfs/dbraw/zinc/75/87/42/402758742.db2.gz	ZFPQWVSJQFCUFT-ZRDIBKRKSA-N	0	0	304.346	2.229	10	5		DEBERN
Cc1csc([C@@H]2CN(c3ncccc3[N+](=O)[O-])CCO2)n1	ZINC000195313692	402841870	/nfs/dbraw/zinc/84/18/70/402841870.db2.gz	BHTUKBOWBNQEOP-NSHDSACASA-N	0	0	306.347	2.333	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC(=O)N1CCCCC1	ZINC000194812944	402816541	/nfs/dbraw/zinc/81/65/41/402816541.db2.gz	ULJBTLAQOSJMPS-UHFFFAOYSA-N	0	0	319.361	2.036	10	5		DEBERN
Cc1cc(C(=O)N2CCN3CCCC[C@H]3C2)cc([N+](=O)[O-])c1	ZINC000195045225	402828549	/nfs/dbraw/zinc/82/85/49/402828549.db2.gz	KAPSVSIWEUYXPW-AWEZNQCLSA-N	0	0	303.362	2.214	10	5		DEBERN
CC(C)c1nnc2n1C[C@H](Nc1ncccc1[N+](=O)[O-])CC2	ZINC000195314487	402841540	/nfs/dbraw/zinc/84/15/40/402841540.db2.gz	FKNNPQHEEMEFHL-SNVBAGLBSA-N	0	0	302.338	2.132	10	5		DEBERN
COc1cc(N2CC[C@@](O)(C(F)(F)F)C2)c([N+](=O)[O-])cc1F	ZINC000268134730	403052524	/nfs/dbraw/zinc/05/25/24/403052524.db2.gz	BCUAYRIQFHFTOD-NSHDSACASA-N	0	0	324.230	2.246	10	5		DEBERN
Cn1cc([C@@]2(C)CN(c3ccccc3[N+](=O)[O-])CCO2)cn1	ZINC000268413781	403081203	/nfs/dbraw/zinc/08/12/03/403081203.db2.gz	UKSCKOGJXXMUGC-OAHLLOKOSA-N	0	0	302.334	2.080	10	5		DEBERN
O=C(CNc1ccc([N+](=O)[O-])cn1)N1CCc2sccc2C1	ZINC000301195797	403599951	/nfs/dbraw/zinc/59/99/51/403599951.db2.gz	UHABCOGZZIXVQT-UHFFFAOYSA-N	0	0	318.358	2.048	10	5		DEBERN
Cc1cc(C[C@@H](C)NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)[nH]n1	ZINC000567041924	292284606	/nfs/dbraw/zinc/28/46/06/292284606.db2.gz	DKAXERWJKOXNQZ-PWSUYJOCSA-N	0	0	316.361	2.477	10	5		DEBERN
CC[C@@H]1CN(c2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@@H](C)O1	ZINC000302094812	403707347	/nfs/dbraw/zinc/70/73/47/403707347.db2.gz	NOOLFXHJUYWZCV-ZYHUDNBSSA-N	0	0	308.334	2.385	10	5		DEBERN
COc1ccc([N+](=O)[O-])c(N2CCC[C@H](n3cncn3)C2)c1	ZINC000266084785	286382464	/nfs/dbraw/zinc/38/24/64/286382464.db2.gz	GUMCPAMPOONMSU-NSHDSACASA-N	0	0	303.322	2.036	10	5		DEBERN
Cc1cc(N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)ccn1	ZINC000361822162	403888134	/nfs/dbraw/zinc/88/81/34/403888134.db2.gz	DECPTRZOVLSMSK-UHFFFAOYSA-N	0	0	321.358	2.264	10	5		DEBERN
O=[N+]([O-])c1ccn(C2CCN(Cc3ncc(C4CC4)o3)CC2)n1	ZINC000369494709	404115459	/nfs/dbraw/zinc/11/54/59/404115459.db2.gz	STPVBFPHQJTMOD-UHFFFAOYSA-N	0	0	317.349	2.494	10	5		DEBERN
CC1(C)CN(Cc2cccc([N+](=O)[O-])c2)C[C@]2(CCOC2)O1	ZINC000376018667	404789330	/nfs/dbraw/zinc/78/93/30/404789330.db2.gz	KDOPNOCICPGRPJ-INIZCTEOSA-N	0	0	306.362	2.365	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CCC(N3CCCC3=O)CC2)n1	ZINC000408170806	405130185	/nfs/dbraw/zinc/13/01/85/405130185.db2.gz	GDLBCYWQFILFQM-UHFFFAOYSA-N	0	0	318.377	2.198	10	5		DEBERN
CCOc1ccc(C(=O)NC[C@@H](C)CCCO)cc1[N+](=O)[O-]	ZINC000452874754	405253801	/nfs/dbraw/zinc/25/38/01/405253801.db2.gz	RWVCPXDVKFHRPN-NSHDSACASA-N	0	0	310.350	2.132	10	5		DEBERN
CCOc1ccc(C(=O)NC[C@H](C)CCCO)cc1[N+](=O)[O-]	ZINC000452874753	405254012	/nfs/dbraw/zinc/25/40/12/405254012.db2.gz	RWVCPXDVKFHRPN-LLVKDONJSA-N	0	0	310.350	2.132	10	5		DEBERN
O=[N+]([O-])c1ccc2[nH]c(CNCc3cnn4ccccc34)nc2c1	ZINC000446848047	405394494	/nfs/dbraw/zinc/39/44/94/405394494.db2.gz	DLPRMRDSFZLBHC-UHFFFAOYSA-N	0	0	322.328	2.409	10	5		DEBERN
CO[C@](C)(CO)CNc1ccc([N+](=O)[O-])cc1Br	ZINC000594587911	405889901	/nfs/dbraw/zinc/88/99/01/405889901.db2.gz	AZSYSMNSDYYHHQ-NSHDSACASA-N	0	0	319.155	2.167	10	5		DEBERN
CNc1ccc(C(=O)N[C@@H](C)Cc2cc(C)n[nH]2)cc1[N+](=O)[O-]	ZINC000531760664	406003528	/nfs/dbraw/zinc/00/35/28/406003528.db2.gz	LAZOADOIIUUERJ-VIFPVBQESA-N	0	0	317.349	2.029	10	5		DEBERN
Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCCC(F)(F)C1	ZINC000488962638	406365682	/nfs/dbraw/zinc/36/56/82/406365682.db2.gz	TXAUEHIFNZKTAK-JTQLQIEISA-N	0	0	316.308	2.184	10	5		DEBERN
CCOc1cc([N+](=O)[O-])c(C=O)cc1I	ZINC000575698498	406819948	/nfs/dbraw/zinc/81/99/48/406819948.db2.gz	SPDOKEQMZKJNOD-UHFFFAOYSA-N	0	0	321.070	2.411	10	5		DEBERN
COC(=O)c1cc([N+](=O)[O-])c(I)cc1C	ZINC000575714232	406822201	/nfs/dbraw/zinc/82/22/01/406822201.db2.gz	GYCUZITUTFMEPB-UHFFFAOYSA-N	0	0	321.070	2.294	10	5		DEBERN
COC(=O)Cc1c(Br)ccc(OC)c1[N+](=O)[O-]	ZINC000575712790	406822256	/nfs/dbraw/zinc/82/22/56/406822256.db2.gz	QTADNZXLGRMATM-UHFFFAOYSA-N	0	0	304.096	2.081	10	5		DEBERN
CC[C@@H]1CN(c2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H](C)O1	ZINC000302094809	287211963	/nfs/dbraw/zinc/21/19/63/287211963.db2.gz	NOOLFXHJUYWZCV-CMPLNLGQSA-N	0	0	308.334	2.385	10	5		DEBERN
CSCCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000128851137	195998265	/nfs/dbraw/zinc/99/82/65/195998265.db2.gz	YTWNNZURTFILII-UHFFFAOYSA-N	0	0	318.420	2.325	10	5		DEBERN
CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H](C(C)(C)C)[C@H](O)C1	ZINC000571594919	292558632	/nfs/dbraw/zinc/55/86/32/292558632.db2.gz	UBMBBPVNMSVRHJ-VXGBXAGGSA-N	0	0	310.398	2.353	10	5		DEBERN
CC1(C)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)C1	ZINC000131255234	196154058	/nfs/dbraw/zinc/15/40/58/196154058.db2.gz	YHUNBKMYIKZHQK-UHFFFAOYSA-N	0	0	302.327	2.155	10	5		DEBERN
CCCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(NCC)c1	ZINC000131485609	196173973	/nfs/dbraw/zinc/17/39/73/196173973.db2.gz	GMSHGWKQQGOJTD-UHFFFAOYSA-N	0	0	315.395	2.447	10	5		DEBERN
C[C@@H]1C[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000131753583	196196879	/nfs/dbraw/zinc/19/68/79/196196879.db2.gz	FZCYPACFXHJOTA-SFYZADRCSA-N	0	0	304.755	2.183	10	5		DEBERN
CCNc1cc(S(=O)(=O)N[C@H](C)C2CC2)ccc1[N+](=O)[O-]	ZINC000131927302	196211049	/nfs/dbraw/zinc/21/10/49/196211049.db2.gz	QCJMEWHEOWFEEX-SECBINFHSA-N	0	0	313.379	2.103	10	5		DEBERN
C[C@@H](O)c1cc([N+](=O)[O-])c(N(C)[C@@H]2CCCC[C@@H]2O)s1	ZINC000131975283	196215758	/nfs/dbraw/zinc/21/57/58/196215758.db2.gz	RQXXRRWKSWSCTN-KKZNHRDASA-N	0	0	300.380	2.449	10	5		DEBERN
CS(=O)(=O)[C@@H]1CCC[C@H]1Nc1c(F)cc(F)cc1[N+](=O)[O-]	ZINC000132352374	196248316	/nfs/dbraw/zinc/24/83/16/196248316.db2.gz	ARXNPIGRTKJISO-MWLCHTKSSA-N	0	0	320.317	2.251	10	5		DEBERN
CC[C@@H](CSC)NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000132572625	196267281	/nfs/dbraw/zinc/26/72/81/196267281.db2.gz	WKHWBLRONPVFGY-QMMMGPOBSA-N	0	0	322.383	2.154	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(O)c(F)c1	ZINC000132703364	196277551	/nfs/dbraw/zinc/27/75/51/196277551.db2.gz	FHVZZCBBRJQZJU-UHFFFAOYSA-N	0	0	305.265	2.073	10	5		DEBERN
C[C@H]1SCCN(C(=O)c2cc(N)c(F)cc2[N+](=O)[O-])[C@@H]1C	ZINC000133842830	196339254	/nfs/dbraw/zinc/33/92/54/196339254.db2.gz	JFESFULQZJWTJC-HTQZYQBOSA-N	0	0	313.354	2.282	10	5		DEBERN
Cc1ccc(NC(=O)C(=O)NCC2(C)CCC2)cc1[N+](=O)[O-]	ZINC000176351852	224818886	/nfs/dbraw/zinc/81/88/86/224818886.db2.gz	JNQJDUATAKSJIR-UHFFFAOYSA-N	0	0	305.334	2.148	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC(C)(C)OC(C)(C)C1	ZINC000188975263	225039744	/nfs/dbraw/zinc/03/97/44/225039744.db2.gz	ODKOWWITMHQNFT-UHFFFAOYSA-N	0	0	307.350	2.328	10	5		DEBERN
C[C@@H]1COCC[C@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000192829701	225144515	/nfs/dbraw/zinc/14/45/15/225144515.db2.gz	DDWYULYVQXADMM-PSASIEDQSA-N	0	0	304.306	2.082	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2c(C)cc(C)nc2C)n1	ZINC000191492834	225112160	/nfs/dbraw/zinc/11/21/60/225112160.db2.gz	SENLQMJCOJNGLR-UHFFFAOYSA-N	0	0	303.322	2.384	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C3CC3)nc(C)n2)n1	ZINC000191677553	225115028	/nfs/dbraw/zinc/11/50/28/225115028.db2.gz	OEXSJFSRYOGRSQ-UHFFFAOYSA-N	0	0	316.321	2.039	10	5		DEBERN
Cc1cc(N2CCN(C[C@@H](C)O)CC2)c(Cl)cc1[N+](=O)[O-]	ZINC000302536937	230287692	/nfs/dbraw/zinc/28/76/92/230287692.db2.gz	MQYAABJJHBGAGZ-LLVKDONJSA-N	0	0	313.785	2.059	10	5		DEBERN
Cc1cc(NCC[C@@H]2COc3ccccc3O2)ncc1[N+](=O)[O-]	ZINC000360772934	424839026	/nfs/dbraw/zinc/83/90/26/424839026.db2.gz	OZKPUPFFASXBAQ-GFCCVEGCSA-N	0	0	315.329	2.940	10	5		DEBERN
CC(=O)c1ccc(N(C)Cc2ccc(N)nc2)c([N+](=O)[O-])c1	ZINC000135984727	267437765	/nfs/dbraw/zinc/43/77/65/267437765.db2.gz	HLTNUIQVBXCRTB-UHFFFAOYSA-N	0	0	300.318	2.411	10	5		DEBERN
CCC1(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCC1	ZINC000164185334	267458496	/nfs/dbraw/zinc/45/84/96/267458496.db2.gz	JLCGDPAFXKJPPN-UHFFFAOYSA-N	0	0	312.391	2.389	10	5		DEBERN
CC(C)C(=O)N[C@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1	ZINC000301576938	277334872	/nfs/dbraw/zinc/33/48/72/277334872.db2.gz	NWZWDDVGVHITKA-NSHDSACASA-N	0	0	309.341	2.475	10	5		DEBERN
C[C@@H]1CC[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC000173205879	277786692	/nfs/dbraw/zinc/78/66/92/277786692.db2.gz	MEDBUUUIYIOMRG-BDAKNGLRSA-N	0	0	304.393	2.465	10	5		DEBERN
CC(C)c1n[nH]c(C(=O)N2CCO[C@H]3CCCC[C@@H]32)c1[N+](=O)[O-]	ZINC000269341498	278000516	/nfs/dbraw/zinc/00/05/16/278000516.db2.gz	CZTXFVJEFUAIMZ-QWRGUYRKSA-N	0	0	322.365	2.225	10	5		DEBERN
C[C@@H]1CN(C)C[C@@H](C)N1C(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000127200321	288080945	/nfs/dbraw/zinc/08/09/45/288080945.db2.gz	GTZHFXXSCWTRHK-NXEZZACHSA-N	0	0	311.769	2.413	10	5		DEBERN
O=C1[C@@H]2[C@@H]3CCC[C@H]3CN2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000248845192	280320700	/nfs/dbraw/zinc/32/07/00/280320700.db2.gz	PAIAILSUPQUXES-BIMULSAOSA-N	0	0	301.302	2.162	10	5		DEBERN
O=[N+]([O-])c1ccc(F)cc1N1CCN(Cc2ccccn2)CC1	ZINC000302866029	280365174	/nfs/dbraw/zinc/36/51/74/280365174.db2.gz	UWXXVWNJHGIKKB-UHFFFAOYSA-N	0	0	316.336	2.451	10	5		DEBERN
O=[N+]([O-])c1cnc2ccc(N3CCC[C@]4(CCCOC4)C3)nn21	ZINC000408062714	280382916	/nfs/dbraw/zinc/38/29/16/280382916.db2.gz	ZMEQFFNRFAHKQE-HNNXBMFYSA-N	0	0	317.349	2.035	10	5		DEBERN
Cc1nc(C[C@@H]2CCCN(c3cc(N)ccc3[N+](=O)[O-])C2)no1	ZINC000192789753	293275988	/nfs/dbraw/zinc/27/59/88/293275988.db2.gz	ZRVLLQSASXNQNA-NSHDSACASA-N	0	0	317.349	2.328	10	5		DEBERN
Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000081582161	293522324	/nfs/dbraw/zinc/52/23/24/293522324.db2.gz	ZHCOJPQWFAWAFK-SECBINFHSA-N	0	0	321.362	2.130	10	5		DEBERN
CCc1n[nH]c(C(=O)NCCCc2cccc(F)c2)c1[N+](=O)[O-]	ZINC000171828353	325724563	/nfs/dbraw/zinc/72/45/63/325724563.db2.gz	MHTCUPYNKJRYCB-UHFFFAOYSA-N	0	0	320.324	2.382	10	5		DEBERN
O=C(CCNc1ccccc1[N+](=O)[O-])NCCOCC1CCC1	ZINC000580258472	333042518	/nfs/dbraw/zinc/04/25/18/333042518.db2.gz	WNTYDAKNDIFYCS-UHFFFAOYSA-N	0	0	321.377	2.330	10	5		DEBERN
CS(=O)(=O)[C@H]1C[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1	ZINC000584592977	337373589	/nfs/dbraw/zinc/37/35/89/337373589.db2.gz	TXGFBXATBLGQLN-DTORHVGOSA-N	0	0	304.755	2.236	10	5		DEBERN
O=[N+]([O-])c1cc(Cl)ccc1NC1CC2(C1)CS(=O)(=O)C2	ZINC000584630425	337376709	/nfs/dbraw/zinc/37/67/09/337376709.db2.gz	XVABXTZFPUWVOW-UHFFFAOYSA-N	0	0	316.766	2.237	10	5		DEBERN
C/C=C\C[C@H](CO)Nc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1	ZINC000472653321	500571838	/nfs/dbraw/zinc/57/18/38/500571838.db2.gz	XBZYLOMJUKLCLR-DOGVGXBMSA-N	0	0	308.334	2.429	10	5		DEBERN
COC(=O)c1cc(N(C)Cc2noc(C)n2)cc(C)c1[N+](=O)[O-]	ZINC000302063098	533849889	/nfs/dbraw/zinc/84/98/89/533849889.db2.gz	ACHVTWMAOMFHAO-UHFFFAOYSA-N	0	0	320.305	2.018	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(CC(=O)N[C@@H](C)CCCC(C)C)c1=O	ZINC000155912706	525571790	/nfs/dbraw/zinc/57/17/90/525571790.db2.gz	HEHNHJYLDPLXBZ-ZDUSSCGKSA-N	0	0	323.393	2.396	10	5		DEBERN
O=[N+]([O-])c1ccc(CO)cc1N1CC[C@H](Oc2ccncc2)C1	ZINC000302070964	534881584	/nfs/dbraw/zinc/88/15/84/534881584.db2.gz	VTHKWMPINCMWQV-AWEZNQCLSA-N	0	0	315.329	2.140	10	5		DEBERN
O=[N+]([O-])c1ccc(CO)cc1NCCc1ccc(CO)cc1	ZINC000302072478	534881804	/nfs/dbraw/zinc/88/18/04/534881804.db2.gz	WJRZDBDJZUEVIY-UHFFFAOYSA-N	0	0	302.330	2.234	10	5		DEBERN
CCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])[C@H](C)c1cccnc1	ZINC000191617992	529104961	/nfs/dbraw/zinc/10/49/61/529104961.db2.gz	YQXITJCSOTXGDL-LLVKDONJSA-N	0	0	317.349	2.430	10	5		DEBERN
CCS[C@H]1CC[C@@]1(O)CNc1cc(CO)ccc1[N+](=O)[O-]	ZINC000302057012	529233458	/nfs/dbraw/zinc/23/34/58/529233458.db2.gz	QSPHZOSMMRYONM-UONOGXRCSA-N	0	0	312.391	2.146	10	5		DEBERN
CN(Cc1nc2c(s1)CCCC2)Cn1nccc1[N+](=O)[O-]	ZINC000177177938	625872810	/nfs/dbraw/zinc/87/28/10/625872810.db2.gz	BDABEZJEVPAQOS-UHFFFAOYSA-N	0	0	307.379	2.216	10	5		DEBERN
C/C(=C/C(=O)NCCn1cccn1)c1ccc([N+](=O)[O-])cc1	ZINC000751476657	639086018	/nfs/dbraw/zinc/08/60/18/639086018.db2.gz	XVJLDLVVANJLAX-QXMHVHEDSA-N	0	0	300.318	2.011	10	5		DEBERN
Cc1cc(Cl)c(S(=O)(=O)NC[C@H]2C[C@@H]2C)cc1[N+](=O)[O-]	ZINC000752234952	639166246	/nfs/dbraw/zinc/16/62/46/639166246.db2.gz	OLDPSZMINVRSRP-IONNQARKSA-N	0	0	318.782	2.491	10	5		DEBERN
C/C(=C\C(=O)OC[C@H]1COC(=O)O1)c1ccc([N+](=O)[O-])cc1	ZINC000752346412	639174077	/nfs/dbraw/zinc/17/40/77/639174077.db2.gz	HBHAOWJMZQTWAQ-LZGFCCKTSA-N	0	0	307.258	2.077	10	5		DEBERN
C/C(=C/C(=O)OCC[C@@H]1CCOC1=O)c1ccc([N+](=O)[O-])cc1	ZINC000752356680	639174540	/nfs/dbraw/zinc/17/45/40/639174540.db2.gz	VZYUPGMNKPLFQN-BSYHEUMXSA-N	0	0	319.313	2.495	10	5		DEBERN
C/C(=C\C(=O)O[C@@H](C(N)=O)C(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000752356332	639174813	/nfs/dbraw/zinc/17/48/13/639174813.db2.gz	UOQJZRNXINDZIP-QSYFUGGGSA-N	0	0	306.318	2.051	10	5		DEBERN
C/C(=C\C(=O)N[C@](C)(CO)C1CC1)c1ccc([N+](=O)[O-])cc1	ZINC000752578610	639199431	/nfs/dbraw/zinc/19/94/31/639199431.db2.gz	CRUYDZRYDVIHPW-PXUDHTSWSA-N	0	0	304.346	2.275	10	5		DEBERN
C/C(=C\C(=O)N(CCO)CC1CC1)c1ccc([N+](=O)[O-])cc1	ZINC000752615181	639202803	/nfs/dbraw/zinc/20/28/03/639202803.db2.gz	ISMNPQMWAWVWAQ-ZRDIBKRKSA-N	0	0	304.346	2.229	10	5		DEBERN
C/C(=C/C(=O)N[C@H]1CC(C)(C)OC1=O)c1ccc([N+](=O)[O-])cc1	ZINC000752650015	639206221	/nfs/dbraw/zinc/20/62/21/639206221.db2.gz	AVJVHQHKMHRJCT-KJJQSCHISA-N	0	0	318.329	2.208	10	5		DEBERN
O=C(Cn1cc([N+](=O)[O-])cn1)Oc1ccc(C(F)(F)F)cc1	ZINC000193140714	640520746	/nfs/dbraw/zinc/52/07/46/640520746.db2.gz	FNKOMRDGWJGIJW-UHFFFAOYSA-N	0	0	315.207	2.416	10	5		DEBERN
Cc1cc(C(=O)O[C@H](C(=O)N(C)C)C(C)C)ccc1[N+](=O)[O-]	ZINC000729696565	640827712	/nfs/dbraw/zinc/82/77/12/640827712.db2.gz	PCAGADUWEIVWKF-ZDUSSCGKSA-N	0	0	308.334	2.173	10	5		DEBERN
COc1cc(N2CCO[C@H](C(F)F)C2)c(F)cc1[N+](=O)[O-]	ZINC000800876533	645315152	/nfs/dbraw/zinc/31/51/52/645315152.db2.gz	HPHQKMSZFSKVEP-NSHDSACASA-N	0	0	306.240	2.213	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OC[C@@]1(C)CNC(=O)C1	ZINC000802202640	645499332	/nfs/dbraw/zinc/49/93/32/645499332.db2.gz	SADFRDSHSKFAEU-AYAUWGRQSA-N	0	0	318.329	2.068	10	5		DEBERN
C/C(=C\C(=O)N[C@@](C)(C(N)=O)C(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000804426773	645768278	/nfs/dbraw/zinc/76/82/78/645768278.db2.gz	FLWMSHNKNSGRNR-PXUDHTSWSA-N	0	0	319.361	2.014	10	5		DEBERN
CCOc1ccc(C(=O)Nc2cn(C)nc2C)cc1[N+](=O)[O-]	ZINC000172763746	646748837	/nfs/dbraw/zinc/74/88/37/646748837.db2.gz	INFXGQHNKMHDRV-UHFFFAOYSA-N	0	0	304.306	2.288	10	5		DEBERN
COC(=O)[C@@H]1C[C@H]1C(=O)Oc1cc([N+](=O)[O-])c(Cl)cc1C	ZINC000118295740	684070934	/nfs/dbraw/zinc/07/09/34/684070934.db2.gz	GSTXGGQGHLOIIU-HTQZYQBOSA-N	0	0	313.693	2.271	10	5		DEBERN
CC(C)CC1(C(=O)OCCn2cnc([N+](=O)[O-])n2)CCCC1	ZINC000121936731	684111133	/nfs/dbraw/zinc/11/11/33/684111133.db2.gz	WNLSXKUOFAZHOO-UHFFFAOYSA-N	0	0	310.354	2.336	10	5		DEBERN
COc1coc(COC(=O)c2ccc([N+](=O)[O-])cc2C)cc1=O	ZINC000126361687	684154043	/nfs/dbraw/zinc/15/40/43/684154043.db2.gz	IKPJQVUGMFTHPR-UHFFFAOYSA-N	0	0	319.269	2.222	10	5		DEBERN
Cc1ccc(OC(=O)CCOC2CCOCC2)cc1[N+](=O)[O-]	ZINC000131996782	684204302	/nfs/dbraw/zinc/20/43/02/684204302.db2.gz	AEIKUBQBIKQAPE-UHFFFAOYSA-N	0	0	309.318	2.394	10	5		DEBERN
CC(C)[C@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1	ZINC000134992692	684231667	/nfs/dbraw/zinc/23/16/67/684231667.db2.gz	AXKLGNARHJJTIB-JTQLQIEISA-N	0	0	316.354	2.401	10	5		DEBERN
CCOC(=O)C(C)(C)C(=O)OCCc1ccccc1[N+](=O)[O-]	ZINC000136375009	684239710	/nfs/dbraw/zinc/23/97/10/684239710.db2.gz	LMUUJZCIKARMJT-UHFFFAOYSA-N	0	0	309.318	2.270	10	5		DEBERN
CN1C[C@H](CNc2cc(Cl)c(F)cc2[N+](=O)[O-])CC1=O	ZINC000723353212	777103508	/nfs/dbraw/zinc/10/35/08/777103508.db2.gz	ZEZRQXJIJJRVOM-ZETCQYMHSA-N	0	0	301.705	2.278	10	5		DEBERN
CN(C)Cc1csc(CNCc2csc([N+](=O)[O-])c2)n1	ZINC000722408878	778708527	/nfs/dbraw/zinc/70/85/27/778708527.db2.gz	PVXSIQNGTMMKTA-UHFFFAOYSA-N	0	0	312.420	2.464	10	5		DEBERN
NC(=O)C1CC(Nc2cccc(Br)c2[N+](=O)[O-])C1	ZINC000716697632	793001788	/nfs/dbraw/zinc/00/17/88/793001788.db2.gz	GQNVJVSDFIMBOL-UHFFFAOYSA-N	0	0	314.139	2.033	10	5		DEBERN
O=[N+]([O-])c1cc(I)c(OC2CC2)cn1	ZINC000095735877	185383865	/nfs/dbraw/zinc/38/38/65/185383865.db2.gz	OMMNJFBHOUZSCI-UHFFFAOYSA-N	0	0	306.059	2.136	10	5		DEBERN
C[C@@H](CS(C)(=O)=O)Nc1ccc([N+](=O)[O-])cc1C(F)F	ZINC000081904375	192336713	/nfs/dbraw/zinc/33/67/13/192336713.db2.gz	JXKWFAMIZQHTFG-ZETCQYMHSA-N	0	0	308.306	2.377	10	5		DEBERN
Cc1cc(S(=O)(=O)N[C@H]2CC2(C)C)cc([N+](=O)[O-])c1F	ZINC000164566174	197656820	/nfs/dbraw/zinc/65/68/20/197656820.db2.gz	ONVVSZWDPVPQIZ-JTQLQIEISA-N	0	0	302.327	2.119	10	5		DEBERN
COC(=O)[C@H](C)CSc1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000078837437	185118343	/nfs/dbraw/zinc/11/83/43/185118343.db2.gz	ZBWDWGYSIFZWJX-MRVPVSSYSA-N	0	0	313.331	2.267	10	5		DEBERN
CC[C@H](NC(=O)c1nn(CC)cc1[N+](=O)[O-])c1nc(C)cs1	ZINC000191602106	529582059	/nfs/dbraw/zinc/58/20/59/529582059.db2.gz	CURGMOXTHOCJLF-VIFPVBQESA-N	0	0	323.378	2.457	10	5		DEBERN
O=C(CN1CCC[C@H](C(F)(F)F)C1)c1cc([N+](=O)[O-])c[nH]1	ZINC000088432071	185249692	/nfs/dbraw/zinc/24/96/92/185249692.db2.gz	OFLSBUQUGLFMBW-QMMMGPOBSA-N	0	0	305.256	2.380	10	5		DEBERN
CC(C)c1ccc(CN2CCCNC(=O)[C@@H]2C)cc1[N+](=O)[O-]	ZINC000189107127	282307839	/nfs/dbraw/zinc/30/78/39/282307839.db2.gz	GWXRNWHDZGTPFC-LBPRGKRZSA-N	0	0	305.378	2.429	10	5		DEBERN
C[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCCO1	ZINC000183208747	199555414	/nfs/dbraw/zinc/55/54/14/199555414.db2.gz	DOCLPTRYRCHOCG-MFKMUULPSA-N	0	0	318.333	2.302	10	5		DEBERN
Cc1ccc(C[C@@H](C)N(C)C(=O)c2c([N+](=O)[O-])cnn2C)cc1	ZINC000123787439	185841685	/nfs/dbraw/zinc/84/16/85/185841685.db2.gz	BZPLZSLTEOQTGL-GFCCVEGCSA-N	0	0	316.361	2.340	10	5		DEBERN
Cn1c(C(=O)N2CCCc3c(N)cccc32)ccc1[N+](=O)[O-]	ZINC000262328634	282568598	/nfs/dbraw/zinc/56/85/98/282568598.db2.gz	SDLAFFPHJLKCPA-UHFFFAOYSA-N	0	0	300.318	2.109	10	5		DEBERN
CC[C@@H](CC1CC1)NS(=O)(=O)c1cc(N)ccc1[N+](=O)[O-]	ZINC000070109105	190858423	/nfs/dbraw/zinc/85/84/23/190858423.db2.gz	LDQOGEHPLUYOAH-NSHDSACASA-N	0	0	313.379	2.034	10	5		DEBERN
Cc1nc2cc(NCCc3nnc[nH]3)c([N+](=O)[O-])cc2s1	ZINC000080589871	192170816	/nfs/dbraw/zinc/17/08/16/192170816.db2.gz	ZZWPPQMNWODLJA-UHFFFAOYSA-N	0	0	304.335	2.286	10	5		DEBERN
C[C@H](C[C@](C)([NH3+])C(=O)[O-])Oc1cc([N+](=O)[O-])ccc1Cl	ZINC000084397917	192428039	/nfs/dbraw/zinc/42/80/39/192428039.db2.gz	PTMXNUNXUIDQDO-KRTXAFLBSA-N	0	0	302.714	2.208	10	5		DEBERN
O=C(NCCCc1ncc[nH]1)c1ccc([N+](=O)[O-])c(Cl)c1	ZINC000139446420	186022430	/nfs/dbraw/zinc/02/24/30/186022430.db2.gz	MBOLVSNTKQMNDW-UHFFFAOYSA-N	0	0	308.725	2.334	10	5		DEBERN
O=[N+]([O-])c1c(N[C@@H]2Cc3ccccc3[C@H]2O)nc2sccn21	ZINC000170982584	197861281	/nfs/dbraw/zinc/86/12/81/197861281.db2.gz	OXTXVBDGPRAYMI-GHMZBOCLSA-N	0	0	316.342	2.374	10	5		DEBERN
CS(=O)(=O)c1cccc(Oc2cc(N)cc([N+](=O)[O-])c2)c1	ZINC000147723423	186041261	/nfs/dbraw/zinc/04/12/61/186041261.db2.gz	CKQNNBCKDRWZLF-UHFFFAOYSA-N	0	0	308.315	2.373	10	5		DEBERN
C[C@@H]1CC[C@H](C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)O1	ZINC000159684956	186135070	/nfs/dbraw/zinc/13/50/70/186135070.db2.gz	ARWJDABCIJIOFY-NOZJJQNGSA-N	0	0	316.317	2.491	10	5		DEBERN
CCNc1cccc(S(=O)(=O)NC2CC(C)C2)c1[N+](=O)[O-]	ZINC000163898338	186141772	/nfs/dbraw/zinc/14/17/72/186141772.db2.gz	LGBWZYHSWYXPMA-UHFFFAOYSA-N	0	0	313.379	2.103	10	5		DEBERN
CCc1ccc(C(=O)N2CCC[C@@H](C(=O)OC)C2)cc1[N+](=O)[O-]	ZINC000173372035	186180617	/nfs/dbraw/zinc/18/06/17/186180617.db2.gz	NDVSSNPHQOVJMX-CYBMUJFWSA-N	0	0	320.345	2.182	10	5		DEBERN
Cc1cccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n1	ZINC000172018201	198027019	/nfs/dbraw/zinc/02/70/19/198027019.db2.gz	XUDQWSVRCRJGQU-UHFFFAOYSA-N	0	0	321.358	2.085	10	5		DEBERN
Cc1c(CN2CC[C@@](O)(C(F)(F)F)C2)cccc1[N+](=O)[O-]	ZINC000174744662	198379395	/nfs/dbraw/zinc/37/93/95/198379395.db2.gz	YABDSHIAPIPSLR-LBPRGKRZSA-N	0	0	304.268	2.402	10	5		DEBERN
CN(CCc1ccco1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000074855710	191373455	/nfs/dbraw/zinc/37/34/55/191373455.db2.gz	LEISXGRQWAXKKW-UHFFFAOYSA-N	0	0	310.331	2.051	10	5		DEBERN
NC(=O)c1[nH]nc2ccc(Nc3ccc(F)cc3[N+](=O)[O-])cc21	ZINC000089651907	355539820	/nfs/dbraw/zinc/53/98/20/355539820.db2.gz	GVEMMHKGLMECGU-UHFFFAOYSA-N	0	0	315.264	2.453	10	5		DEBERN
O=C1CN2CCc3ccccc3[C@@H]2c2cc([N+](=O)[O-])ccc2N1	ZINC000095762800	355697267	/nfs/dbraw/zinc/69/72/67/355697267.db2.gz	IDEHZZWNGUGGAP-QGZVFWFLSA-N	0	0	309.325	2.494	10	5		DEBERN
O=C(N[C@H]1CCSC1=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000005713756	181275375	/nfs/dbraw/zinc/27/53/75/181275375.db2.gz	AXTKBDLSUFDDOI-VIFPVBQESA-N	0	0	300.723	2.010	10	5		DEBERN
Cc1ccc(CN2CCO[C@H](C(=O)C3CC3)C2)cc1[N+](=O)[O-]	ZINC000589517518	357476576	/nfs/dbraw/zinc/47/65/76/357476576.db2.gz	GHDLSUAWIMEABY-HNNXBMFYSA-N	0	0	304.346	2.083	10	5		DEBERN
CC(=O)c1cc(N2CC[C@H]3CC[C@@H](C2)[S@]3=O)ccc1[N+](=O)[O-]	ZINC000599168336	359422862	/nfs/dbraw/zinc/42/28/62/359422862.db2.gz	UKZKBZBPWQNIQF-IFMYKAFSSA-N	0	0	322.386	2.287	10	5		DEBERN
CC(C)[C@@H](C)NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1	ZINC000188445414	200247357	/nfs/dbraw/zinc/24/73/57/200247357.db2.gz	OGWNSAWNFHKJTB-LLVKDONJSA-N	0	0	307.350	2.412	10	5		DEBERN
CC(C)n1ncc2c1C[C@H](Nc1c([N+](=O)[O-])ncn1C)CC2	ZINC000516269539	283505994	/nfs/dbraw/zinc/50/59/94/283505994.db2.gz	GPTISXHUGQRWEJ-LLVKDONJSA-N	0	0	304.354	2.075	10	5		DEBERN
CC(=O)N1C[C@@H]2CCC[C@@H](Nc3ncc(F)cc3[N+](=O)[O-])[C@H]2C1	ZINC000601165838	359949373	/nfs/dbraw/zinc/94/93/73/359949373.db2.gz	IWBNZQWLTBFGAK-WCFLWFBJSA-N	0	0	322.340	2.188	10	5		DEBERN
Cc1occc1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000611033070	361516369	/nfs/dbraw/zinc/51/63/69/361516369.db2.gz	UGIXDUPDVKKYQC-UHFFFAOYSA-N	0	0	310.331	2.116	10	5		DEBERN
CCCC(=O)N[C@@H]1CCCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1	ZINC000611616297	361645725	/nfs/dbraw/zinc/64/57/25/361645725.db2.gz	VBIORBAZYZYUDH-CYBMUJFWSA-N	0	0	320.393	2.492	10	5		DEBERN
C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCOCC2(CC2)C1	ZINC000611813086	361688552	/nfs/dbraw/zinc/68/85/52/361688552.db2.gz	AWVJBWPIQGQGEZ-GFCCVEGCSA-N	0	0	319.361	2.034	10	5		DEBERN
COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]([C@@H]3CCOC3)C2)c1	ZINC000611762162	361676936	/nfs/dbraw/zinc/67/69/36/361676936.db2.gz	PQHAULYXCBFTNC-QWHCGFSZSA-N	0	0	320.345	2.244	10	5		DEBERN
O=C1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CCN1C1CC1	ZINC000611784283	361680877	/nfs/dbraw/zinc/68/08/77/361680877.db2.gz	ZAGBOYNEFFWWHD-UHFFFAOYSA-N	0	0	309.753	2.055	10	5		DEBERN
Cn1cc(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)nn1	ZINC000611931391	361707162	/nfs/dbraw/zinc/70/71/62/361707162.db2.gz	QDOWUMBATXJCPU-UHFFFAOYSA-N	0	0	313.317	2.273	10	5		DEBERN
CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CC2CC(O)C2)c1	ZINC000091491137	193064057	/nfs/dbraw/zinc/06/40/57/193064057.db2.gz	QBFSUOYLAADPJQ-UHFFFAOYSA-N	0	0	310.375	2.160	10	5		DEBERN
COC(=O)c1cc(C)nc(N[C@@H](C)[C@@H](OC)C2CC2)c1[N+](=O)[O-]	ZINC000450864272	242319219	/nfs/dbraw/zinc/31/92/19/242319219.db2.gz	UVWHNWYVVIIOSX-TVQRCGJNSA-N	0	0	323.349	2.310	10	5		DEBERN
O=C(CCNc1ccc2scnc2c1[N+](=O)[O-])NC1CC1	ZINC000092996489	193191174	/nfs/dbraw/zinc/19/11/74/193191174.db2.gz	OTXYIXAEUYJJCB-UHFFFAOYSA-N	0	0	306.347	2.285	10	5		DEBERN
Nc1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2F)c1	ZINC000093634354	193277089	/nfs/dbraw/zinc/27/70/89/193277089.db2.gz	UQHGAXCEMLYYDV-UHFFFAOYSA-N	0	0	311.294	2.117	10	5		DEBERN
CC(C)C[C@H](CO)NC(=O)c1c(F)ccc([N+](=O)[O-])c1F	ZINC000094190724	193348181	/nfs/dbraw/zinc/34/81/81/193348181.db2.gz	XFKMJJYXMPLZNT-MRVPVSSYSA-N	0	0	302.277	2.010	10	5		DEBERN
C[C@@](N)(c1nc(-c2cccc([N+](=O)[O-])c2)no1)C(F)(F)F	ZINC000094223340	193350842	/nfs/dbraw/zinc/35/08/42/193350842.db2.gz	AEXVRXQFOKFOTK-SNVBAGLBSA-N	0	0	302.212	2.381	10	5		DEBERN
CCC[C@@H](CC)NS(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1C	ZINC000094780556	193397891	/nfs/dbraw/zinc/39/78/91/193397891.db2.gz	DPGVOPXALSMZMV-SNVBAGLBSA-N	0	0	315.395	2.342	10	5		DEBERN
O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCOCC2(CC2)C1	ZINC000408178193	296164826	/nfs/dbraw/zinc/16/48/26/296164826.db2.gz	WAWVOUQSFSGZAG-UHFFFAOYSA-N	0	0	315.329	2.329	10	5		DEBERN
CCCNc1cc(C)nc(Cn2cc(Cl)c([N+](=O)[O-])n2)n1	ZINC000159879670	197370698	/nfs/dbraw/zinc/37/06/98/197370698.db2.gz	DKHIBMLHCLDCEJ-UHFFFAOYSA-N	0	0	310.745	2.413	10	5		DEBERN
COc1cccc(Nc2[nH]cnc(=NN(C)C)c2[N+](=O)[O-])c1	ZINC000040586827	183105856	/nfs/dbraw/zinc/10/58/56/183105856.db2.gz	BRERKXYUGHIDEA-UHFFFAOYSA-N	0	0	304.310	2.026	10	5		DEBERN
CCN(CCO)c1ncnc(NC2CCCCCC2)c1[N+](=O)[O-]	ZINC000040617859	183109741	/nfs/dbraw/zinc/10/97/41/183109741.db2.gz	LARFJIFISORZDK-UHFFFAOYSA-N	0	0	323.397	2.338	10	5		DEBERN
COc1ccc(Nc2[nH]cnc(=NN(C)C)c2[N+](=O)[O-])cc1	ZINC000040628744	183111150	/nfs/dbraw/zinc/11/11/50/183111150.db2.gz	DDQVYIFPYNPBMJ-UHFFFAOYSA-N	0	0	304.310	2.026	10	5		DEBERN
COc1ccc(N)cc1C[S@@](=O)c1ccc([N+](=O)[O-])cc1	ZINC000040970164	183152839	/nfs/dbraw/zinc/15/28/39/183152839.db2.gz	WSZWSHXXUWSPGW-NRFANRHFSA-N	0	0	306.343	2.493	10	5		DEBERN
COc1ccc(C[S@@](=O)c2ccccc2N)cc1[N+](=O)[O-]	ZINC000042194309	183240464	/nfs/dbraw/zinc/24/04/64/183240464.db2.gz	IFTFLUQPHIRINS-NRFANRHFSA-N	0	0	306.343	2.493	10	5		DEBERN
COC[C@@H](C)N(C)c1ncc(Br)cc1[N+](=O)[O-]	ZINC000042520165	183279348	/nfs/dbraw/zinc/27/93/48/183279348.db2.gz	FFHPCWZEXVGSSF-SSDOTTSWSA-N	0	0	304.144	2.223	10	5		DEBERN
Nc1c([N+](=O)[O-])cnn1Cc1ccc(OC(F)(F)F)cc1	ZINC000043669468	183378643	/nfs/dbraw/zinc/37/86/43/183378643.db2.gz	PIEKCGGMXCEDEF-UHFFFAOYSA-N	0	0	302.212	2.320	10	5		DEBERN
CCOC(=O)/C=C(\C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000104691117	194027432	/nfs/dbraw/zinc/02/74/32/194027432.db2.gz	LDJIDAAZOSJCCN-SOFGYWHQSA-N	0	0	312.709	2.445	10	5		DEBERN
CCNc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@H](C)CC	ZINC000050651297	183794448	/nfs/dbraw/zinc/79/44/48/183794448.db2.gz	XLYJUCBSFOWZHM-SNVBAGLBSA-N	0	0	315.395	2.446	10	5		DEBERN
Cc1sc2nc(Cn3ccc([N+](=O)[O-])n3)nc(N)c2c1C	ZINC000050829967	183806309	/nfs/dbraw/zinc/80/63/09/183806309.db2.gz	MFIJKBWSYBODTB-UHFFFAOYSA-N	0	0	304.335	2.043	10	5		DEBERN
C[NH2+][C@](C)(CCOc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000051625735	183831753	/nfs/dbraw/zinc/83/17/53/183831753.db2.gz	GKRYNHTUACHNHR-GFCCVEGCSA-N	0	0	302.714	2.080	10	5		DEBERN
COC(=O)[C@@H](C)Nc1cc([N+](=O)[O-])ccc1Br	ZINC000159347269	197346265	/nfs/dbraw/zinc/34/62/65/197346265.db2.gz	YVLFTQWVQWXQFR-ZCFIWIBFSA-N	0	0	303.112	2.331	10	5		DEBERN
CCC(CC)[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N	ZINC000111675969	194413897	/nfs/dbraw/zinc/41/38/97/194413897.db2.gz	NICWAPGGZMUENP-VIFPVBQESA-N	0	0	315.395	2.280	10	5		DEBERN
COc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cn2)cc1	ZINC000059382054	184137949	/nfs/dbraw/zinc/13/79/49/184137949.db2.gz	ZYPJALMTGKZXID-UHFFFAOYSA-N	0	0	303.274	2.016	10	5		DEBERN
Cc1cnc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cn1	ZINC000061322095	184168074	/nfs/dbraw/zinc/16/80/74/184168074.db2.gz	MKLIITOEDDXPHX-UHFFFAOYSA-N	0	0	306.709	2.277	10	5		DEBERN
CNc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCCC(C)C)c1	ZINC000062097996	184205998	/nfs/dbraw/zinc/20/59/98/184205998.db2.gz	UBAUSYCGBYOJOP-UHFFFAOYSA-N	0	0	315.395	2.351	10	5		DEBERN
CC(C)[NH2+][C@H](CCOc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000062539729	184241583	/nfs/dbraw/zinc/24/15/83/184241583.db2.gz	RGJWDDMNQNNEOI-LLVKDONJSA-N	0	0	316.741	2.468	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCO[C@]3(CCOC3)C2)n1	ZINC000408172185	291827156	/nfs/dbraw/zinc/82/71/56/291827156.db2.gz	SYRZUVFSIRTEIF-IUODEOHRSA-N	0	0	307.350	2.357	10	5		DEBERN
CC1(O)CN(c2cc(Br)c(F)cc2[N+](=O)[O-])C1	ZINC000158794681	197302140	/nfs/dbraw/zinc/30/21/40/197302140.db2.gz	CLIDCNIUMASFHB-UHFFFAOYSA-N	0	0	305.103	2.067	10	5		DEBERN
O=[N+]([O-])c1ccc(N2CCO[C@@]3(CCOC3)C2)c2ccncc21	ZINC000274409574	285127693	/nfs/dbraw/zinc/12/76/93/285127693.db2.gz	OGDONMLIVHBAGO-INIZCTEOSA-N	0	0	315.329	2.139	10	5		DEBERN
O=[N+]([O-])c1cc(F)c(Br)cc1NC1CC(O)C1	ZINC000158169700	197249415	/nfs/dbraw/zinc/24/94/15/197249415.db2.gz	PAFZLAMHTMSILO-UHFFFAOYSA-N	0	0	305.103	2.432	10	5		DEBERN
Cc1cc([N+](=O)[O-])c(Cl)cc1NC[C@@H]1CCS(=O)(=O)C1	ZINC000157678954	197206877	/nfs/dbraw/zinc/20/68/77/197206877.db2.gz	BJVGZPZATWCVFT-VIFPVBQESA-N	0	0	318.782	2.403	10	5		DEBERN
CCN(C(C)C)S(=O)(=O)c1cc([N+](=O)[O-])c(NC)s1	ZINC000157559556	197197912	/nfs/dbraw/zinc/19/79/12/197197912.db2.gz	GUQZAOVQOSBFLD-UHFFFAOYSA-N	0	0	307.397	2.117	10	5		DEBERN
CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)C[C@@H]1C	ZINC000157395352	197184497	/nfs/dbraw/zinc/18/44/97/197184497.db2.gz	VLNSBFSIUJCILR-ZJUUUORDSA-N	0	0	313.379	2.056	10	5		DEBERN
CCNc1cccc(NCC(C)(C)S(C)(=O)=O)c1[N+](=O)[O-]	ZINC000157295853	197177373	/nfs/dbraw/zinc/17/73/73/197177373.db2.gz	HTSRYLWJYJNUDG-UHFFFAOYSA-N	0	0	315.395	2.262	10	5		DEBERN
CN(Cc1cnn(C)c1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000120342490	195146854	/nfs/dbraw/zinc/14/68/54/195146854.db2.gz	PBGJULAVISNXNV-UHFFFAOYSA-N	0	0	313.317	2.082	10	5		DEBERN
CSCCCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000154086370	196937558	/nfs/dbraw/zinc/93/75/58/196937558.db2.gz	XOYBEZJWKDFHLS-UHFFFAOYSA-N	0	0	318.420	2.157	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)C(C)C	ZINC000120832771	195247184	/nfs/dbraw/zinc/24/71/84/195247184.db2.gz	HVVUNVWJBZZLHP-NSHDSACASA-N	0	0	307.350	2.311	10	5		DEBERN
Cc1cc(NN)nc(COc2cc(Cl)ccc2[N+](=O)[O-])n1	ZINC000122040035	195392656	/nfs/dbraw/zinc/39/26/56/195392656.db2.gz	DIZNNCRSBUXCLL-UHFFFAOYSA-N	0	0	309.713	2.211	10	5		DEBERN
Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1c1ccnn1C	ZINC000545252233	285408893	/nfs/dbraw/zinc/40/88/93/285408893.db2.gz	ZWHLBWQELCTYKI-ZDUSSCGKSA-N	0	0	317.349	2.034	10	5		DEBERN
C/C(=C\c1nc([C@H](C)NC(N)=O)no1)c1ccc([N+](=O)[O-])cc1	ZINC000362300105	533416071	/nfs/dbraw/zinc/41/60/71/533416071.db2.gz	SFTQBMOLGKAVKY-FLOXNTQESA-N	0	0	317.305	2.268	10	5		DEBERN
Cc1cc(C)n(CC(=O)NCc2cccc([N+](=O)[O-])c2C)n1	ZINC000360514580	133187119	/nfs/dbraw/zinc/18/71/19/133187119.db2.gz	JCDYMNZOCBQHAQ-UHFFFAOYSA-N	0	0	302.334	2.033	10	5		DEBERN
CC(=O)c1cc(N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)ccc1[N+](=O)[O-]	ZINC000376453395	133295051	/nfs/dbraw/zinc/29/50/51/133295051.db2.gz	GBCCIUPPKUJYPD-TURKWSHLSA-N	0	0	317.345	2.219	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCCC12CCC2	ZINC000373180043	133380517	/nfs/dbraw/zinc/38/05/17/133380517.db2.gz	NGERVPDXLMLGEU-UHFFFAOYSA-N	0	0	317.345	2.387	10	5		DEBERN
O=[N+]([O-])c1cccnc1N1CCO[C@@H](COc2ccccc2)C1	ZINC000357745819	296517646	/nfs/dbraw/zinc/51/76/46/296517646.db2.gz	KXUZBQRAVCNRTR-CQSZACIVSA-N	0	0	315.329	2.274	10	5		DEBERN
Cc1sc(C(=O)NC[C@@H](O)CC(C)(C)C)cc1[N+](=O)[O-]	ZINC000172306425	144818320	/nfs/dbraw/zinc/81/83/20/144818320.db2.gz	DBSRLIHIMBWQLG-VIFPVBQESA-N	0	0	300.380	2.492	10	5		DEBERN
O=C(N[C@H]1Cc2ccccc2[C@@H]1O)c1ccc([N+](=O)[O-])s1	ZINC000178690651	144862600	/nfs/dbraw/zinc/86/26/00/144862600.db2.gz	GQRWEZKSIAHHAK-GWCFXTLKSA-N	0	0	304.327	2.044	10	5		DEBERN
CCOc1ccc(C(=O)N(C)[C@@H](CO)CC(C)C)cc1[N+](=O)[O-]	ZINC000184592057	144946851	/nfs/dbraw/zinc/94/68/51/144946851.db2.gz	OBZGDTUYBZYZSI-CYBMUJFWSA-N	0	0	324.377	2.473	10	5		DEBERN
C[C@@H](C(=O)[O-])[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CC1	ZINC000263162176	145331104	/nfs/dbraw/zinc/33/11/04/145331104.db2.gz	QSWCKSSSGRVNPP-NSHDSACASA-N	0	0	308.334	2.301	10	5		DEBERN
CCOc1cc(N2CCN(C(C)=O)C[C@@H]2C)ccc1[N+](=O)[O-]	ZINC000357170628	147055596	/nfs/dbraw/zinc/05/55/96/147055596.db2.gz	NYMYWVISUKAYHT-NSHDSACASA-N	0	0	307.350	2.051	10	5		DEBERN
C[C@@H]1C[C@H]1CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-]	ZINC000357307509	147084233	/nfs/dbraw/zinc/08/42/33/147084233.db2.gz	USMSDUKGAWNROS-OCCSQVGLSA-N	0	0	305.378	2.495	10	5		DEBERN
CO[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[C@@H]1C	ZINC000276089180	286074509	/nfs/dbraw/zinc/07/45/09/286074509.db2.gz	VFVDUZMTHWIYNR-BONVTDFDSA-N	0	0	319.361	2.341	10	5		DEBERN
COc1ccccc1OCCn1cc([N+](=O)[O-])cc(C)c1=O	ZINC000127172793	401723237	/nfs/dbraw/zinc/72/32/37/401723237.db2.gz	IWCBBGHOLITJNW-UHFFFAOYSA-N	0	0	304.302	2.153	10	5		DEBERN
COc1cccc(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)n1	ZINC000128272823	401769720	/nfs/dbraw/zinc/76/97/20/401769720.db2.gz	CBMGWOOBPCCCRT-UHFFFAOYSA-N	0	0	307.331	2.298	10	5		DEBERN
Cc1ccnc(NCc2cccnc2-n2ccnc2)c1[N+](=O)[O-]	ZINC000115515832	401830441	/nfs/dbraw/zinc/83/04/41/401830441.db2.gz	ULYOYCVKESBZOR-UHFFFAOYSA-N	0	0	310.317	2.491	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C(N)=O)CC[C@H]1C	ZINC000119153377	401929540	/nfs/dbraw/zinc/92/95/40/401929540.db2.gz	KQMJXZOMZCUZJI-MNOVXSKESA-N	0	0	320.349	2.021	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C	ZINC000119153196	401929601	/nfs/dbraw/zinc/92/96/01/401929601.db2.gz	KQMJXZOMZCUZJI-QWRGUYRKSA-N	0	0	320.349	2.021	10	5		DEBERN
O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(C2CC2)CC1	ZINC000038106732	401922278	/nfs/dbraw/zinc/92/22/78/401922278.db2.gz	VPSZIPXPTXLDBP-UHFFFAOYSA-N	0	0	309.753	2.168	10	5		DEBERN
Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)[C@@H]2CCCO2)cc1[N+](=O)[O-]	ZINC000046218167	401967821	/nfs/dbraw/zinc/96/78/21/401967821.db2.gz	AKQHJURTMDWWQT-RNCFNFMXSA-N	0	0	323.305	2.109	10	5		DEBERN
COCc1ccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)o1	ZINC000089204062	401938623	/nfs/dbraw/zinc/93/86/23/401938623.db2.gz	YJMVDUDPOGNESB-UHFFFAOYSA-N	0	0	316.273	2.463	10	5		DEBERN
O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCC[C@@H]1CO	ZINC000151059490	402013930	/nfs/dbraw/zinc/01/39/30/402013930.db2.gz	CVANVHBNYVVVPY-BXUZGUMPSA-N	0	0	324.402	2.354	10	5		DEBERN
O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@H]2OCCC[C@H]2C1	ZINC000121112714	402015882	/nfs/dbraw/zinc/01/58/82/402015882.db2.gz	FFIGTZQVNPZPRP-IINYFYTJSA-N	0	0	308.309	2.375	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000151330200	402030209	/nfs/dbraw/zinc/03/02/09/402030209.db2.gz	ULKKLQRRSWSHPO-MLGOLLRUSA-N	0	0	319.361	2.065	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NCCn1cnnc1C(C)C	ZINC000152206195	402081988	/nfs/dbraw/zinc/08/19/88/402081988.db2.gz	HHKCURVWLWNKOQ-UHFFFAOYSA-N	0	0	317.349	2.048	10	5		DEBERN
CCCN(CC(=O)OCC)C(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000066290231	402129924	/nfs/dbraw/zinc/12/99/24/402129924.db2.gz	OXHWEJWATWTDGA-UHFFFAOYSA-N	0	0	308.334	2.319	10	5		DEBERN
Cc1c(C(=O)N(C)C[C@H]2CCCO2)cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000102897405	402174049	/nfs/dbraw/zinc/17/40/49/402174049.db2.gz	JJPBPPHFQOYVOD-LLVKDONJSA-N	0	0	323.305	2.062	10	5		DEBERN
Cc1cc(C(=O)Nc2cnc(N(C)C)nc2)cc([N+](=O)[O-])c1	ZINC000125776766	402249764	/nfs/dbraw/zinc/24/97/64/402249764.db2.gz	BFFQXVCBWXXNRA-UHFFFAOYSA-N	0	0	301.306	2.012	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CC=CCC2)s1	ZINC000069042646	402212243	/nfs/dbraw/zinc/21/22/43/402212243.db2.gz	QPWLSTCXMGPHEP-VIFPVBQESA-N	0	0	302.377	2.291	10	5		DEBERN
CCNC(=O)N1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1	ZINC000070870086	402265836	/nfs/dbraw/zinc/26/58/36/402265836.db2.gz	OJRLIJVFRLJOSM-GFCCVEGCSA-N	0	0	306.366	2.003	10	5		DEBERN
COC[C@@H](O)CN(C)c1c(Cl)cc([N+](=O)[O-])cc1Cl	ZINC000226741488	402329453	/nfs/dbraw/zinc/32/94/53/402329453.db2.gz	XTBGIJMSQBUUAR-QMMMGPOBSA-N	0	0	309.149	2.345	10	5		DEBERN
CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1noc(C)n1	ZINC000159892788	402332620	/nfs/dbraw/zinc/33/26/20/402332620.db2.gz	JDWANKSHDYTJIG-UHFFFAOYSA-N	0	0	322.346	2.328	10	5		DEBERN
Cc1c(C(=O)N[C@H]2Cc3ccccc3[C@H]2O)cccc1[N+](=O)[O-]	ZINC000178342405	402487129	/nfs/dbraw/zinc/48/71/29/402487129.db2.gz	HQQWXRZTTFOQJG-GOEBONIOSA-N	0	0	312.325	2.291	10	5		DEBERN
C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C[C@@H]1CCCO1	ZINC000170688460	402514234	/nfs/dbraw/zinc/51/42/34/402514234.db2.gz	JJOKNDUCRYIUGB-FZMZJTMJSA-N	0	0	307.350	2.033	10	5		DEBERN
CC[C@@H](NCc1noc(COC)n1)c1cccc([N+](=O)[O-])c1	ZINC000182819804	402719346	/nfs/dbraw/zinc/71/93/46/402719346.db2.gz	TUTKYVONRYVHPU-GFCCVEGCSA-N	0	0	306.322	2.365	10	5		DEBERN
CCN(Cc1cnn(C)c1)C(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000194850187	402818447	/nfs/dbraw/zinc/81/84/47/402818447.db2.gz	WMSIIBVZHDCKKP-UHFFFAOYSA-N	0	0	302.334	2.299	10	5		DEBERN
CC(C)[C@@H]1C[C@H]1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000184195806	402825880	/nfs/dbraw/zinc/82/58/80/402825880.db2.gz	ORGVMBFWSNFNOT-QWHCGFSZSA-N	0	0	306.318	2.369	10	5		DEBERN
Cc1ccc(C(=O)N2CCN3CCCC[C@H]3C2)cc1[N+](=O)[O-]	ZINC000195043731	402828245	/nfs/dbraw/zinc/82/82/45/402828245.db2.gz	WMFCYDPAGACKCF-AWEZNQCLSA-N	0	0	303.362	2.214	10	5		DEBERN
Cc1c(C(=O)N2CCN3CCCC[C@@H]3C2)cccc1[N+](=O)[O-]	ZINC000195095153	402831057	/nfs/dbraw/zinc/83/10/57/402831057.db2.gz	KUTOLAPEYNZADJ-CYBMUJFWSA-N	0	0	303.362	2.214	10	5		DEBERN
COc1cc([N+](=O)[O-])ccc1OCc1nnc(C2CC2)n1C	ZINC000195196254	402835898	/nfs/dbraw/zinc/83/58/98/402835898.db2.gz	WFHKEYSFQGRMHZ-UHFFFAOYSA-N	0	0	304.306	2.188	10	5		DEBERN
CC1(C)CN(c2ccc(Cl)cc2[N+](=O)[O-])CCS1(=O)=O	ZINC000268291072	403070926	/nfs/dbraw/zinc/07/09/26/403070926.db2.gz	YQIIPECBPQVHRQ-UHFFFAOYSA-N	0	0	318.782	2.262	10	5		DEBERN
Cc1ccc(N2CCO[C@@](C)(c3cnn(C)c3)C2)c([N+](=O)[O-])c1	ZINC000268394306	403079318	/nfs/dbraw/zinc/07/93/18/403079318.db2.gz	NHKFAJRJNOPOAH-MRXNPFEDSA-N	0	0	316.361	2.389	10	5		DEBERN
Cc1cc(N2CCO[C@](C)(c3cnn(C)c3)C2)ccc1[N+](=O)[O-]	ZINC000268408389	403080654	/nfs/dbraw/zinc/08/06/54/403080654.db2.gz	SEHLOQFXTSGEDW-INIZCTEOSA-N	0	0	316.361	2.389	10	5		DEBERN
C[C@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C[C@H](C)O1	ZINC000283397911	403194865	/nfs/dbraw/zinc/19/48/65/403194865.db2.gz	FFDJVPKTRWKFES-QWRGUYRKSA-N	0	0	317.349	2.004	10	5		DEBERN
COC(=O)/C=C/c1ccc(NCC2(O)CCCC2)c([N+](=O)[O-])c1	ZINC000299105522	403522608	/nfs/dbraw/zinc/52/26/08/403522608.db2.gz	XGNRRTMCTPVGLF-FNORWQNLSA-N	0	0	320.345	2.498	10	5		DEBERN
CC(C)OC(=O)N1CCC(Nc2ncccc2[N+](=O)[O-])CC1	ZINC000301262002	403608174	/nfs/dbraw/zinc/60/81/74/403608174.db2.gz	VNLLSNXHXRUZKC-UHFFFAOYSA-N	0	0	308.338	2.411	10	5		DEBERN
CNC(=O)c1cc([N+](=O)[O-])ccc1NCCc1ncc(C)s1	ZINC000301411000	403625249	/nfs/dbraw/zinc/62/52/49/403625249.db2.gz	KBIUBWIMPNWGQY-UHFFFAOYSA-N	0	0	320.374	2.374	10	5		DEBERN
CC(=O)c1ccc(N2CC(F)(F)C[C@@H]2CO)c([N+](=O)[O-])c1	ZINC000368723446	403836798	/nfs/dbraw/zinc/83/67/98/403836798.db2.gz	WIAHRELHSHMFOS-SNVBAGLBSA-N	0	0	300.261	2.004	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCCC(F)(F)C2)cc1	ZINC000362921782	404004259	/nfs/dbraw/zinc/00/42/59/404004259.db2.gz	JEOHRLBQVACEGA-SECBINFHSA-N	0	0	320.317	2.451	10	5		DEBERN
CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@](O)(C(F)(F)F)C1	ZINC000361001620	404874129	/nfs/dbraw/zinc/87/41/29/404874129.db2.gz	HYLKZDYHZXWGEL-GFCCVEGCSA-N	0	0	318.251	2.301	10	5		DEBERN
CC(=O)c1ccc([N+](=O)[O-])cc1N1CCn2cc(C)nc2C1	ZINC000367294324	404999483	/nfs/dbraw/zinc/99/94/83/404999483.db2.gz	JSAHGEVRVROANG-UHFFFAOYSA-N	0	0	300.318	2.323	10	5		DEBERN
C[C@@H]1C[C@@H](CCNC(=O)Cn2cnc([N+](=O)[O-])n2)CC(C)(C)C1	ZINC000436228938	405061171	/nfs/dbraw/zinc/06/11/71/405061171.db2.gz	RIXKWLCYDSRSLN-VXGBXAGGSA-N	0	0	323.397	2.155	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC(=O)N3CCCC[C@@H]23)n1	ZINC000407975280	405081060	/nfs/dbraw/zinc/08/10/60/405081060.db2.gz	HYKAAXXJZGEMSI-RYUDHWBXSA-N	0	0	304.350	2.172	10	5		DEBERN
O=[N+]([O-])c1cc(CN2CCOCC3(CC3)C2)c2c(c1)COCO2	ZINC000408174538	405130367	/nfs/dbraw/zinc/13/03/67/405130367.db2.gz	KSEAPHVBOGHVQJ-UHFFFAOYSA-N	0	0	320.345	2.074	10	5		DEBERN
C/C=C/C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])C(=O)OCC	ZINC000361545303	405125604	/nfs/dbraw/zinc/12/56/04/405125604.db2.gz	JMYHQAQWNZHTPF-OGOUPESXSA-N	0	0	306.318	2.223	10	5		DEBERN
CCOc1ccc(C(=O)N2CC[C@@H](CCCO)C2)cc1[N+](=O)[O-]	ZINC000457156956	405726699	/nfs/dbraw/zinc/72/66/99/405726699.db2.gz	RLLPITQIBGXIFF-GFCCVEGCSA-N	0	0	322.361	2.228	10	5		DEBERN
CC(=O)NCCN(Cc1ccsc1)c1ccc([N+](=O)[O-])nc1	ZINC000450496884	405928174	/nfs/dbraw/zinc/92/81/74/405928174.db2.gz	ALCHPVJPYHSCET-UHFFFAOYSA-N	0	0	320.374	2.194	10	5		DEBERN
COC(=O)Cc1ccc(N[C@H]2CC[C@H](OC)C2)c([N+](=O)[O-])c1	ZINC000450474185	405916901	/nfs/dbraw/zinc/91/69/01/405916901.db2.gz	JOKUEOTXFZFPQN-RYUDHWBXSA-N	0	0	308.334	2.290	10	5		DEBERN
CCOc1cc(N2CCO[C@@]3(CCCOC3)C2)ccc1[N+](=O)[O-]	ZINC000519726134	406242891	/nfs/dbraw/zinc/24/28/91/406242891.db2.gz	LQHJDIZWRGOLBP-INIZCTEOSA-N	0	0	322.361	2.379	10	5		DEBERN
COC(=O)Cc1cc([N+](=O)[O-])cc(Br)c1OC	ZINC000575712734	406822259	/nfs/dbraw/zinc/82/22/59/406822259.db2.gz	OYIPRBNPZREUJE-UHFFFAOYSA-N	0	0	304.096	2.081	10	5		DEBERN
CSC[C@@H](C)N(C)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000129172050	196026221	/nfs/dbraw/zinc/02/62/21/196026221.db2.gz	LKXNNPOIWOGGDC-MRVPVSSYSA-N	0	0	322.383	2.106	10	5		DEBERN
C[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000129855009	196080942	/nfs/dbraw/zinc/08/09/42/196080942.db2.gz	XMGLTIOPBAZFRU-VIFPVBQESA-N	0	0	302.327	2.297	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)cc1F	ZINC000129869756	196081421	/nfs/dbraw/zinc/08/14/21/196081421.db2.gz	MZPBVEYTHFCYEW-NXEZZACHSA-N	0	0	314.338	2.155	10	5		DEBERN
Cn1cc([C@H]2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C2)cn1	ZINC000130835870	196114183	/nfs/dbraw/zinc/11/41/83/196114183.db2.gz	BGUQTYQZTRRTEW-JTQLQIEISA-N	0	0	318.308	2.097	10	5		DEBERN
Cn1cc([C@@H]2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C2)cn1	ZINC000130835641	196114380	/nfs/dbraw/zinc/11/43/80/196114380.db2.gz	BGUQTYQZTRRTEW-SNVBAGLBSA-N	0	0	318.308	2.097	10	5		DEBERN
CS[C@@H](C)CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-]	ZINC000130896806	196120432	/nfs/dbraw/zinc/12/04/32/196120432.db2.gz	WHODBIHQKMAPGA-QMMMGPOBSA-N	0	0	308.363	2.385	10	5		DEBERN
CNc1cc(S(=O)(=O)N[C@H](C)CC(C)C)ccc1[N+](=O)[O-]	ZINC000131914404	196210123	/nfs/dbraw/zinc/21/01/23/196210123.db2.gz	UWTUKZSDCFBWGA-SNVBAGLBSA-N	0	0	315.395	2.349	10	5		DEBERN
CNc1cc(S(=O)(=O)NCCCC(C)C)ccc1[N+](=O)[O-]	ZINC000132527641	196262399	/nfs/dbraw/zinc/26/23/99/196262399.db2.gz	KXTCAZRFBFQJPW-UHFFFAOYSA-N	0	0	315.395	2.351	10	5		DEBERN
CCNc1cccc(N[C@@]2(C)CCS(=O)(=O)C2)c1[N+](=O)[O-]	ZINC000133107147	196312925	/nfs/dbraw/zinc/31/29/25/196312925.db2.gz	AFINFLXFGQRXAI-ZDUSSCGKSA-N	0	0	313.379	2.016	10	5		DEBERN
CC(C)n1nnnc1CN(Cc1ccccc1[N+](=O)[O-])C1CC1	ZINC000135229218	196455586	/nfs/dbraw/zinc/45/55/86/196455586.db2.gz	IBVVXSDVCHSVPH-UHFFFAOYSA-N	0	0	316.365	2.327	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCC2(c3ccccc3)CC2)n1	ZINC000191488450	225111659	/nfs/dbraw/zinc/11/16/59/225111659.db2.gz	RVEDKMJWRKBACR-UHFFFAOYSA-N	0	0	314.345	2.273	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCc3cc(F)ccc32)n1	ZINC000191572500	225112725	/nfs/dbraw/zinc/11/27/25/225112725.db2.gz	JPCWWAZLVHASNO-GFCCVEGCSA-N	0	0	318.308	2.368	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCO[C@H]2CC(C)C)n1	ZINC000191716653	225116253	/nfs/dbraw/zinc/11/62/53/225116253.db2.gz	PJASYAVPBJLROX-AAEUAGOBSA-N	0	0	324.381	2.135	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(CC(C)(C)C)[nH]n2)n1	ZINC000191826081	225117325	/nfs/dbraw/zinc/11/73/25/225117325.db2.gz	XGOBBXPUQGTDKO-UHFFFAOYSA-N	0	0	320.353	2.375	10	5		DEBERN
Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cccnc1N(C)C	ZINC000194404456	225180586	/nfs/dbraw/zinc/18/05/86/225180586.db2.gz	LTIDOSFFFDJPMP-UHFFFAOYSA-N	0	0	314.345	2.294	10	5		DEBERN
Cc1cc(NC[C@H]2CN(C)CCO2)c2cccc([N+](=O)[O-])c2n1	ZINC000302047514	230063254	/nfs/dbraw/zinc/06/32/54/230063254.db2.gz	YVOZQETYKZXMNV-LBPRGKRZSA-N	0	0	316.361	2.194	10	5		DEBERN
CCn1nc(C)c(CNc2ccc3ncc([N+](=O)[O-])n3n2)c1C	ZINC000535046598	421698957	/nfs/dbraw/zinc/69/89/57/421698957.db2.gz	JMWTWGJNKYIIHJ-UHFFFAOYSA-N	0	0	315.337	2.083	10	5		DEBERN
CCC1(O)CCC(Nc2ccc3ncc([N+](=O)[O-])n3n2)CC1	ZINC000611306291	422474678	/nfs/dbraw/zinc/47/46/78/422474678.db2.gz	GMOIKSWNDJVVEA-UHFFFAOYSA-N	0	0	305.338	2.133	10	5		DEBERN
COC(=O)c1cc(C)nc(NCC2CC(C)(C)C2)c1[N+](=O)[O-]	ZINC000588027175	424994306	/nfs/dbraw/zinc/99/43/06/424994306.db2.gz	GXSYWMLKRNJZFB-UHFFFAOYSA-N	0	0	307.350	2.933	10	5		DEBERN
O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[C@H](C3CC3)C2)c1	ZINC000374301154	269092020	/nfs/dbraw/zinc/09/20/20/269092020.db2.gz	HZWRAZNOCNBSJV-ZDUSSCGKSA-N	0	0	310.375	2.157	10	5		DEBERN
CCCC(=O)N[C@H]1CCCN(c2cccc(OC)c2[N+](=O)[O-])C1	ZINC000185327464	276224061	/nfs/dbraw/zinc/22/40/61/276224061.db2.gz	FFSJVOJFKBHLDB-LBPRGKRZSA-N	0	0	321.377	2.489	10	5		DEBERN
Cc1cccc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2O)c1[N+](=O)[O-]	ZINC000178338379	278912769	/nfs/dbraw/zinc/91/27/69/278912769.db2.gz	ASRHSHHDHQUJIF-GDBMZVCRSA-N	0	0	312.325	2.291	10	5		DEBERN
C[C@@]1(C(N)=O)CCCCN1Cc1cc([N+](=O)[O-])ccc1Cl	ZINC000185899433	289155142	/nfs/dbraw/zinc/15/51/42/289155142.db2.gz	XOGACUJPVGLUJC-AWEZNQCLSA-N	0	0	311.769	2.478	10	5		DEBERN
Cn1cnnc1C1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1	ZINC000302824909	294489306	/nfs/dbraw/zinc/48/93/06/294489306.db2.gz	XUYFZWQNHLGBCK-UHFFFAOYSA-N	0	0	305.313	2.246	10	5		DEBERN
CC[C@H]1CN(c2cc(C)c([N+](=O)[O-])cn2)CCN1CC(F)F	ZINC000270795039	500606982	/nfs/dbraw/zinc/60/69/82/500606982.db2.gz	MHULSCRZMIGVKY-NSHDSACASA-N	0	0	314.336	2.464	10	5		DEBERN
COc1cccc([C@H](O)CNc2cc(CO)ccc2[N+](=O)[O-])c1	ZINC000301983211	533787892	/nfs/dbraw/zinc/78/78/92/533787892.db2.gz	ASVLQYXEGDVHOJ-MRXNPFEDSA-N	0	0	318.329	2.241	10	5		DEBERN
CC(=O)N1CCC(CCNc2cc(CO)ccc2[N+](=O)[O-])CC1	ZINC000302016035	526531769	/nfs/dbraw/zinc/53/17/69/526531769.db2.gz	CEAPZOQUZJRHAK-UHFFFAOYSA-N	0	0	321.377	2.148	10	5		DEBERN
CCC1(CC)CN(c2cc(C)c([N+](=O)[O-])cn2)CC[S@@]1=O	ZINC000302214599	529085574	/nfs/dbraw/zinc/08/55/74/529085574.db2.gz	GQQXGPBDMPTYHJ-OAQYLSRUSA-N	0	0	311.407	2.426	10	5		DEBERN
CCSCC[C@H](C)NC(=O)c1nn(CC)cc1[N+](=O)[O-]	ZINC000191646622	529194943	/nfs/dbraw/zinc/19/49/43/529194943.db2.gz	MKVLCLRXYIAYIN-VIFPVBQESA-N	0	0	300.384	2.073	10	5		DEBERN
CC(=O)c1cc([N+](=O)[O-])ccc1N(C)Cc1cnn(C)c1C	ZINC000804677134	623124011	/nfs/dbraw/zinc/12/40/11/623124011.db2.gz	INBLJLLHGFXEIH-UHFFFAOYSA-N	0	0	302.334	2.476	10	5		DEBERN
O=[N+]([O-])c1cc2c(ncnc2N2CCO[C@H](C(F)F)C2)s1	ZINC000804694052	623159316	/nfs/dbraw/zinc/15/93/16/623159316.db2.gz	MEFGRVNWVCEHAC-ZETCQYMHSA-N	0	0	316.289	2.070	10	5		DEBERN
CCc1ccc(C(=O)O[C@@H](C(=O)N(C)C)C(C)C)cc1[N+](=O)[O-]	ZINC000747013553	636148648	/nfs/dbraw/zinc/14/86/48/636148648.db2.gz	XXRZGEOHUFDGOX-CQSZACIVSA-N	0	0	322.361	2.427	10	5		DEBERN
O=[N+]([O-])c1ccc(NNC(=S)NCCc2ccccn2)cc1	ZINC000726120818	636409945	/nfs/dbraw/zinc/40/99/45/636409945.db2.gz	WLXHSJHWOFAHRI-UHFFFAOYSA-N	0	0	317.374	2.024	10	5		DEBERN
C/C(=C\C(=O)N[C@H](CCO)C1CC1)c1ccc([N+](=O)[O-])cc1	ZINC000752581052	639199548	/nfs/dbraw/zinc/19/95/48/639199548.db2.gz	MRKPFCFWWWZNLV-AUECHBEKSA-N	0	0	304.346	2.275	10	5		DEBERN
C/C(=C\C(=O)N[C@@H](CCO)C1CC1)c1ccc([N+](=O)[O-])cc1	ZINC000752581054	639200004	/nfs/dbraw/zinc/20/00/04/639200004.db2.gz	MRKPFCFWWWZNLV-NKSUMMKUSA-N	0	0	304.346	2.275	10	5		DEBERN
C/C(=C/C(=O)N[C@@H](CO)CC1CC1)c1ccc([N+](=O)[O-])cc1	ZINC000752741693	639214483	/nfs/dbraw/zinc/21/44/83/639214483.db2.gz	ROIBVGJIKIXGIC-KOTGUFOOSA-N	0	0	304.346	2.275	10	5		DEBERN
Cc1sc(C(=O)N[C@@H](C)C(=O)OCC(C)C)cc1[N+](=O)[O-]	ZINC000163683425	646395147	/nfs/dbraw/zinc/39/51/47/646395147.db2.gz	GPQHSZDKNIZRLO-QMMMGPOBSA-N	0	0	314.363	2.282	10	5		DEBERN
C[C@H]1CN(Cn2cc([N+](=O)[O-])cn2)C[C@H](c2ccc(F)cc2)O1	ZINC000172924875	646754177	/nfs/dbraw/zinc/75/41/77/646754177.db2.gz	AZRPIWCEPGQSMZ-XHDPSFHLSA-N	0	0	320.324	2.350	10	5		DEBERN
CCCCOC(=O)CNC(=O)c1ccc(OCC)c([N+](=O)[O-])c1	ZINC000730235550	646849319	/nfs/dbraw/zinc/84/93/19/646849319.db2.gz	FDIDSEFJWGYXNX-UHFFFAOYSA-N	0	0	324.333	2.067	10	5		DEBERN
CC(C)(C)[C@H](O)CNC(=O)c1cccc([N+](=O)[O-])c1Cl	ZINC000324277659	647333675	/nfs/dbraw/zinc/33/36/75/647333675.db2.gz	NJOSTQLLSXOTCY-SNVBAGLBSA-N	0	0	300.742	2.385	10	5		DEBERN
C[C@H](OC(=O)C1=COCCC1)C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000730851097	647420168	/nfs/dbraw/zinc/42/01/68/647420168.db2.gz	QVWBCDLFIQPHQI-JTQLQIEISA-N	0	0	320.301	2.159	10	5		DEBERN
CCOC(=O)CC[C@H](C)NC(=O)c1cc(F)ccc1[N+](=O)[O-]	ZINC000089881478	684027534	/nfs/dbraw/zinc/02/75/34/684027534.db2.gz	BOKULSHOKKSCFD-VIFPVBQESA-N	0	0	312.297	2.196	10	5		DEBERN
CCO[C@@H]1C[C@@H](OC(=O)Cn2ccc([N+](=O)[O-])n2)C12CCCC2	ZINC000119604631	684084185	/nfs/dbraw/zinc/08/41/85/684084185.db2.gz	BYINNJPNAATAOI-VXGBXAGGSA-N	0	0	323.349	2.072	10	5		DEBERN
C[C@@H]1CC[C@H](C(=O)OCCN(C)c2ccc([N+](=O)[O-])cc2)O1	ZINC000123651276	684126900	/nfs/dbraw/zinc/12/69/00/684126900.db2.gz	FXFDHEIDUXZGCD-BXUZGUMPSA-N	0	0	308.334	2.142	10	5		DEBERN
CC[C@](C)(O)CNc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-]	ZINC000195153262	685088684	/nfs/dbraw/zinc/08/86/84/685088684.db2.gz	RIQKZXSIJUUTHE-VFADXPBXSA-N	0	0	308.334	2.354	10	5		DEBERN
C[C@H]1CN(Cn2cc([N+](=O)[O-])cn2)C[C@@H](c2ccc(F)cc2)O1	ZINC000246798684	685137231	/nfs/dbraw/zinc/13/72/31/685137231.db2.gz	AZRPIWCEPGQSMZ-NHYWBVRUSA-N	0	0	320.324	2.350	10	5		DEBERN
C[C@@H]1CN(Cn2nccc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1	ZINC000247241078	685144976	/nfs/dbraw/zinc/14/49/76/685144976.db2.gz	XXUPANUMZBYCDT-RISCZKNCSA-N	0	0	320.324	2.350	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCCn1cccn1	ZINC000588445185	777199942	/nfs/dbraw/zinc/19/99/42/777199942.db2.gz	QTIGEDLMEDLFGM-VAWYXSNFSA-N	0	0	301.302	2.438	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCc1nnc(C)n1C	ZINC000588445243	777199944	/nfs/dbraw/zinc/19/99/44/777199944.db2.gz	XDJLNBCMLGNHIX-NTMALXAHSA-N	0	0	316.317	2.178	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1noc(C)n1	ZINC000588445765	777201311	/nfs/dbraw/zinc/20/13/11/777201311.db2.gz	BXJYYLNLNLXPKI-CLFYSBASSA-N	0	0	302.290	2.006	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCCCC12OCCO2	ZINC000715985212	792558629	/nfs/dbraw/zinc/55/86/29/792558629.db2.gz	OYSFGZIKLGVTDH-AWEZNQCLSA-N	0	0	320.345	2.319	10	5		DEBERN
Nc1c(Cl)cc(C(=O)NC[C@H]2CCCCO2)cc1[N+](=O)[O-]	ZINC000050706303	1078476451	/nfs/dbraw/zinc/47/64/51/1078476451.db2.gz	GLSRLLJHBOCDJO-SECBINFHSA-N	0	0	313.741	2.129	10	5		DEBERN
CC(C)(C)OC(=O)N1C[C@H](NCc2ccccc2[N+](=O)[O-])CO1	ZINC000703313634	1086493876	/nfs/dbraw/zinc/49/38/76/1086493876.db2.gz	XMIIYPLFEAMGJU-LBPRGKRZSA-N	0	0	323.349	2.235	10	5		DEBERN
CCOC(=O)C(F)(F)[C@@]1(N)CCCc2ccc([N+](=O)[O-])cc21	ZINC000095642922	185383046	/nfs/dbraw/zinc/38/30/46/185383046.db2.gz	YXMOWJXNAAIBEA-CYBMUJFWSA-N	0	0	314.288	2.284	10	5		DEBERN
CCN(C(=O)Cn1cc([N+](=O)[O-])cc(C)c1=O)c1ccccc1	ZINC000096778199	185387075	/nfs/dbraw/zinc/38/70/75/185387075.db2.gz	JVDJCUMNVHORSV-UHFFFAOYSA-N	0	0	315.329	2.118	10	5		DEBERN
C[C@@H]1COC[C@@H](C)N1C(=O)CCCNc1ccc([N+](=O)[O-])cc1	ZINC000077138688	185112334	/nfs/dbraw/zinc/11/23/34/185112334.db2.gz	CYKHBKHZGBVPNI-CHWSQXEVSA-N	0	0	321.377	2.423	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C)[C@H]1C	ZINC000175310392	282194547	/nfs/dbraw/zinc/19/45/47/282194547.db2.gz	SWOGWHXCHSCHCJ-NXEZZACHSA-N	0	0	314.363	2.022	10	5		DEBERN
CC[C@H](C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N	ZINC000088311805	185245242	/nfs/dbraw/zinc/24/52/42/185245242.db2.gz	MFQBBOGXFMMHEW-VHSXEESVSA-N	0	0	315.395	2.280	10	5		DEBERN
CC[C@H](NC(=O)[C@@H]1CCN(C)C(=O)C1)c1cccc([N+](=O)[O-])c1	ZINC000177807195	282208291	/nfs/dbraw/zinc/20/82/91/282208291.db2.gz	NDLOROHVSLBOGR-OCCSQVGLSA-N	0	0	319.361	2.031	10	5		DEBERN
CCN(C(=O)c1ccnc(Cl)c1[N+](=O)[O-])[C@H](C)COC	ZINC000088804937	185266256	/nfs/dbraw/zinc/26/62/56/185266256.db2.gz	PYPYZAGRRKCXOI-MRVPVSSYSA-N	0	0	301.730	2.140	10	5		DEBERN
COC[C@@H](NC(=O)c1ccnc(Cl)c1[N+](=O)[O-])C(C)C	ZINC000088806504	185266261	/nfs/dbraw/zinc/26/62/61/185266261.db2.gz	YOVXLPUMKCVDQD-SECBINFHSA-N	0	0	301.730	2.044	10	5		DEBERN
COC(=O)C[C@H](C)Sc1cc2c(cc1[N+](=O)[O-])CC(=O)N2	ZINC000090100531	185282078	/nfs/dbraw/zinc/28/20/78/185282078.db2.gz	CSHSQYHEHLZWLK-ZETCQYMHSA-N	0	0	310.331	2.133	10	5		DEBERN
CCCc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)n(C)n1	ZINC000090153733	185283914	/nfs/dbraw/zinc/28/39/14/185283914.db2.gz	FEONCXALYADOSW-UHFFFAOYSA-N	0	0	303.322	2.237	10	5		DEBERN
C[C@H]1CO[C@@H](CO)CN1c1cc(Cl)c(Cl)cc1[N+](=O)[O-]	ZINC000167775336	197713831	/nfs/dbraw/zinc/71/38/31/197713831.db2.gz	LUGJZKPZTBZQMO-JGVFFNPUSA-N	0	0	321.160	2.488	10	5		DEBERN
Cc1nn(C(=O)c2cc3ccccc3oc2=O)c(C)c1[N+](=O)[O-]	ZINC000003669274	282252379	/nfs/dbraw/zinc/25/23/79/282252379.db2.gz	JWKJNYMVORDOIY-UHFFFAOYSA-N	0	0	313.269	2.203	10	5		DEBERN
CC1(C)CC[C@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)O1	ZINC000186381599	282274110	/nfs/dbraw/zinc/27/41/10/282274110.db2.gz	OYZFRCNIFPTZMM-CQSZACIVSA-N	0	0	321.377	2.394	10	5		DEBERN
CCN(CC(F)F)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1	ZINC000186453346	282277244	/nfs/dbraw/zinc/27/72/44/282277244.db2.gz	KFWWLJFBHSYXBB-UHFFFAOYSA-N	0	0	322.333	2.054	10	5		DEBERN
COC(=O)[C@H]1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])C[C@@H]1C	ZINC000187992865	282294684	/nfs/dbraw/zinc/29/46/84/282294684.db2.gz	NBIVSCZQFUPKLD-RYUDHWBXSA-N	0	0	320.345	2.174	10	5		DEBERN
CC(C)[C@@H]1C[C@@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1	ZINC000188450216	282300996	/nfs/dbraw/zinc/30/09/96/282300996.db2.gz	ZHQMYVDAFBUGEP-GJZGRUSLSA-N	0	0	304.346	2.477	10	5		DEBERN
CN(Cc1ncnn1C)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1	ZINC000301461303	530029006	/nfs/dbraw/zinc/02/90/06/530029006.db2.gz	DQUBNTABGJMPSG-UHFFFAOYSA-N	0	0	315.255	2.379	10	5		DEBERN
O=C(N[C@@H]1CCCOC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000171702844	295725927	/nfs/dbraw/zinc/72/59/27/295725927.db2.gz	CJMBOKCSRUWPLI-CYBMUJFWSA-N	0	0	319.361	2.104	10	5		DEBERN
C[C@@H](Nc1c(Br)cncc1[N+](=O)[O-])[C@H](C)CO	ZINC000231630049	201888922	/nfs/dbraw/zinc/88/89/22/201888922.db2.gz	ZSSYPVSENYYRCU-RNFRBKRXSA-N	0	0	304.144	2.181	10	5		DEBERN
CNc1cccc(S(=O)(=O)N2CCC(C)(C)C2)c1[N+](=O)[O-]	ZINC000127040447	185914868	/nfs/dbraw/zinc/91/48/68/185914868.db2.gz	HELZZTGHPUYQNU-UHFFFAOYSA-N	0	0	313.379	2.057	10	5		DEBERN
COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC(=O)[C@@H](C)C1	ZINC000287080290	219300704	/nfs/dbraw/zinc/30/07/04/219300704.db2.gz	YESOMCRALRCPII-JTQLQIEISA-N	0	0	306.318	2.105	10	5		DEBERN
CNc1nc(Cl)nc(Oc2ccc([N+](=O)[O-])cc2OC)n1	ZINC000148294702	186043629	/nfs/dbraw/zinc/04/36/29/186043629.db2.gz	KJZBFSCOSMQACN-UHFFFAOYSA-N	0	0	311.685	2.276	10	5		DEBERN
Nc1nc(Cl)nc(Oc2cc(F)c([N+](=O)[O-])cc2F)n1	ZINC000148743562	186045553	/nfs/dbraw/zinc/04/55/53/186045553.db2.gz	IVVTWLBTWDTIBU-UHFFFAOYSA-N	0	0	303.612	2.086	10	5		DEBERN
Cc1c(CS(=O)(=O)c2cccc(N)c2)cccc1[N+](=O)[O-]	ZINC000150190667	186055533	/nfs/dbraw/zinc/05/55/33/186055533.db2.gz	GOGNVDAQDDEVGT-UHFFFAOYSA-N	0	0	306.343	2.459	10	5		DEBERN
COCc1cc([N+](=O)[O-])ccc1N1CCC2(CC1)OC[C@@H](C)O2	ZINC000080645643	355377190	/nfs/dbraw/zinc/37/71/90/355377190.db2.gz	JTAISWSBNXXHSM-GFCCVEGCSA-N	0	0	322.361	2.473	10	5		DEBERN
O=[N+]([O-])c1ccc(N2CCCC[C@@H]2CN2CCOCC2)cc1	ZINC000091483121	355599012	/nfs/dbraw/zinc/59/90/12/355599012.db2.gz	DJMUTHRVMPMVLF-MRXNPFEDSA-N	0	0	305.378	2.286	10	5		DEBERN
CC[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1nccs1	ZINC000185079747	356201964	/nfs/dbraw/zinc/20/19/64/356201964.db2.gz	CAIQKQDWQRCSRC-LLVKDONJSA-N	0	0	320.374	2.391	10	5		DEBERN
CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)C(C)C	ZINC000081112866	192227618	/nfs/dbraw/zinc/22/76/18/192227618.db2.gz	DHBWTHUUDAIQJU-SNVBAGLBSA-N	0	0	315.395	2.207	10	5		DEBERN
O=C1CCc2cc([N+](=O)[O-])c(NCC[C@H]3CCOC3)cc2N1	ZINC000318636660	356437781	/nfs/dbraw/zinc/43/77/81/356437781.db2.gz	CNPRJQOYNKDEGE-JTQLQIEISA-N	0	0	305.334	2.318	10	5		DEBERN
CC(=O)c1ccc(SC[C@@H]2CN(C)CCO2)c([N+](=O)[O-])c1	ZINC000400941114	356725563	/nfs/dbraw/zinc/72/55/63/356725563.db2.gz	NILQLOHFTVWKBB-LBPRGKRZSA-N	0	0	310.375	2.220	10	5		DEBERN
Cn1c2cc(NCCCC3CC3)c([N+](=O)[O-])cc2n(C)c1=O	ZINC000587981959	357385233	/nfs/dbraw/zinc/38/52/33/357385233.db2.gz	RKZVZBUVFMZEOT-UHFFFAOYSA-N	0	0	304.350	2.387	10	5		DEBERN
CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC(OCCCO)CC1	ZINC000588822919	357426828	/nfs/dbraw/zinc/42/68/28/357426828.db2.gz	HSZCSYJOPDBTJM-UHFFFAOYSA-N	0	0	322.361	2.165	10	5		DEBERN
COC(=O)[C@@]1(C)CCCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1	ZINC000187667101	200141475	/nfs/dbraw/zinc/14/14/75/200141475.db2.gz	DHADTGXVMTZHGK-YXMGTMDOSA-N	0	0	318.329	2.162	10	5		DEBERN
O=C(NCc1ccncc1C(F)(F)F)c1cc([N+](=O)[O-])c[nH]1	ZINC000619253972	363746564	/nfs/dbraw/zinc/74/65/64/363746564.db2.gz	AHBNAWKCPHBFBH-UHFFFAOYSA-N	0	0	314.223	2.267	10	5		DEBERN
CCc1cnc(N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)s1	ZINC000610281260	361380583	/nfs/dbraw/zinc/38/05/83/361380583.db2.gz	POEOENBVIBHFIH-UHFFFAOYSA-N	0	0	319.390	2.335	10	5		DEBERN
CCOc1ccc(C(=O)N2CCN(CC)[C@H](C)C2)cc1[N+](=O)[O-]	ZINC000611087747	361524610	/nfs/dbraw/zinc/52/46/10/361524610.db2.gz	HATFQLUABNQDFD-GFCCVEGCSA-N	0	0	321.377	2.160	10	5		DEBERN
Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000194719752	201276938	/nfs/dbraw/zinc/27/69/38/201276938.db2.gz	JFHMYQFXCSCJBF-GFCCVEGCSA-N	0	0	314.345	2.266	10	5		DEBERN
C[C@H](C(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000090814553	192937025	/nfs/dbraw/zinc/93/70/25/192937025.db2.gz	XXKRPSXTWAEPOM-SECBINFHSA-N	0	0	315.347	2.099	10	5		DEBERN
COc1cc(CN2CCC([C@@H](C)O)CC2)c([N+](=O)[O-])cc1OC	ZINC000092970002	193190533	/nfs/dbraw/zinc/19/05/33/193190533.db2.gz	PEWXBECNHRGNAN-LLVKDONJSA-N	0	0	324.377	2.205	10	5		DEBERN
O=[N+]([O-])c1cnc(NCCc2c[nH]cn2)c(Br)c1	ZINC000093434194	193250808	/nfs/dbraw/zinc/25/08/08/193250808.db2.gz	NDXRVGYYLOBFPN-UHFFFAOYSA-N	0	0	312.127	2.130	10	5		DEBERN
CC(C)n1c(=O)[nH]nc1SCc1ccc([N+](=O)[O-])c(F)c1	ZINC000094775582	193396507	/nfs/dbraw/zinc/39/65/07/193396507.db2.gz	GYSYWSISKJCOOW-UHFFFAOYSA-N	0	0	312.326	2.492	10	5		DEBERN
NNc1cc(Cn2ccc(C(F)(F)F)n2)ccc1[N+](=O)[O-]	ZINC000094778688	193396778	/nfs/dbraw/zinc/39/67/78/193396778.db2.gz	WPFOJYPOEZQKQZ-UHFFFAOYSA-N	0	0	301.228	2.144	10	5		DEBERN
CC[C@H](C)[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1C	ZINC000094780577	193397677	/nfs/dbraw/zinc/39/76/77/193397677.db2.gz	ARNJYTRMAYBEQT-WCBMZHEXSA-N	0	0	315.395	2.198	10	5		DEBERN
CNc1cc(C)c(S(=O)(=O)N[C@H](C)C(C)C)cc1[N+](=O)[O-]	ZINC000094780480	193397737	/nfs/dbraw/zinc/39/77/37/193397737.db2.gz	MWIFLZPVDQWAGD-SNVBAGLBSA-N	0	0	315.395	2.268	10	5		DEBERN
CC[C@H](C)N(CC)S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1C	ZINC000094780508	193397841	/nfs/dbraw/zinc/39/78/41/193397841.db2.gz	XXPDBKYGUIOJRA-JTQLQIEISA-N	0	0	315.395	2.295	10	5		DEBERN
Cc1ccc(S(=O)(=O)n2ccc3cc([N+](=O)[O-])cnc32)cc1	ZINC000095936871	193450635	/nfs/dbraw/zinc/45/06/35/193450635.db2.gz	JFXXGOVLZYWAIR-UHFFFAOYSA-N	0	0	317.326	2.490	10	5		DEBERN
COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000189903079	284205798	/nfs/dbraw/zinc/20/57/98/284205798.db2.gz	PJXQEUSDNRXRFD-BNOWGMLFSA-N	0	0	318.329	2.009	10	5		DEBERN
COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccccc1[N+](=O)[O-]	ZINC000191170496	284216001	/nfs/dbraw/zinc/21/60/01/284216001.db2.gz	AVHOMDAXNQJNLP-ZLDLUXBVSA-N	0	0	304.346	2.368	10	5		DEBERN
O=[N+]([O-])c1cc(Br)c(F)cc1N1CCC[C@@H]1CO	ZINC000097368563	193711849	/nfs/dbraw/zinc/71/18/49/193711849.db2.gz	COJQZDRBGOCTTE-SSDOTTSWSA-N	0	0	319.130	2.458	10	5		DEBERN
O=[N+]([O-])c1ccc(N2CCC[C@H]2Cn2ccnc2)c([N+](=O)[O-])c1	ZINC000267443773	206070074	/nfs/dbraw/zinc/07/00/74/206070074.db2.gz	ZGSXVPPEPYANQY-LBPRGKRZSA-N	0	0	317.305	2.369	10	5		DEBERN
O=c1[nH]cnc(Nc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-]	ZINC000040648760	183113993	/nfs/dbraw/zinc/11/39/93/183113993.db2.gz	CVNATLJOFFEPQF-UHFFFAOYSA-N	0	0	300.196	2.441	10	5		DEBERN
CCOc1ncnc(Nc2ccc(C(=O)OC)cc2)c1[N+](=O)[O-]	ZINC000040649820	183114091	/nfs/dbraw/zinc/11/40/91/183114091.db2.gz	DBRAEUBUPXFAFR-UHFFFAOYSA-N	0	0	318.289	2.314	10	5		DEBERN
CNc1ncnc(Nc2ccc(NC(C)=O)cc2)c1[N+](=O)[O-]	ZINC000040595939	183106563	/nfs/dbraw/zinc/10/65/63/183106563.db2.gz	MZHUUZUZCCXBIC-UHFFFAOYSA-N	0	0	302.294	2.129	10	5		DEBERN
Nc1ncnc(Nc2cccc(Br)c2)c1[N+](=O)[O-]	ZINC000040608785	183108974	/nfs/dbraw/zinc/10/89/74/183108974.db2.gz	PIPVLBZCIKYKJZ-UHFFFAOYSA-N	0	0	310.111	2.473	10	5		DEBERN
Cc1ncc(CNc2cc3c(cc2[N+](=O)[O-])CC(=O)N3)s1	ZINC000040998298	183155082	/nfs/dbraw/zinc/15/50/82/183155082.db2.gz	SSPCPQILAXTORL-UHFFFAOYSA-N	0	0	304.331	2.466	10	5		DEBERN
O=[N+]([O-])c1cn(-c2ccc(Br)cc2[N+](=O)[O-])cn1	ZINC000042388790	183262741	/nfs/dbraw/zinc/26/27/41/183262741.db2.gz	FNZRVLXCKMKPQE-UHFFFAOYSA-N	0	0	313.067	2.451	10	5		DEBERN
COC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)CC(C)(C)O1	ZINC000284889979	218223689	/nfs/dbraw/zinc/22/36/89/218223689.db2.gz	GZNOKQLDJQSEFZ-ZDUSSCGKSA-N	0	0	322.361	2.428	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@](C)(N)C(F)(F)F	ZINC000159766479	197362423	/nfs/dbraw/zinc/36/24/23/197362423.db2.gz	CYEHKWMOBIPHKK-NSHDSACASA-N	0	0	305.256	2.430	10	5		DEBERN
C[C@@H](Nc1[nH]cnc(=NN)c1[N+](=O)[O-])c1cccc(Cl)c1	ZINC000159505277	197358786	/nfs/dbraw/zinc/35/87/86/197358786.db2.gz	DYGMQSZZPSOWEX-SSDOTTSWSA-N	0	0	308.729	2.497	10	5		DEBERN
Cc1cc(N2CCO[C@@](C)(c3cnn(C)c3)C2)ccc1[N+](=O)[O-]	ZINC000268408390	206693004	/nfs/dbraw/zinc/69/30/04/206693004.db2.gz	SEHLOQFXTSGEDW-MRXNPFEDSA-N	0	0	316.361	2.389	10	5		DEBERN
C[NH2+][C@](C)(COc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000050440754	183786683	/nfs/dbraw/zinc/78/66/83/183786683.db2.gz	LTZWFFOMAXRLCG-LLVKDONJSA-N	0	0	323.132	2.343	10	5		DEBERN
CCCNc1ccc(S(=O)(=O)N(C)CCC)cc1[N+](=O)[O-]	ZINC000050652601	183794547	/nfs/dbraw/zinc/79/45/47/183794547.db2.gz	DHLCMQFNCLNYJZ-UHFFFAOYSA-N	0	0	315.395	2.447	10	5		DEBERN
COC(=O)c1cc([N+](=O)[O-])c(N[C@@H](C)[C@H](C)CO)cc1Cl	ZINC000268856981	207024613	/nfs/dbraw/zinc/02/46/13/207024613.db2.gz	ZOBOPANEGNXJCX-SFYZADRCSA-N	0	0	316.741	2.464	10	5		DEBERN
CC[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCN1C	ZINC000110732727	194354650	/nfs/dbraw/zinc/35/46/50/194354650.db2.gz	AMTCPDSDYWJQJZ-LLVKDONJSA-N	0	0	311.769	2.414	10	5		DEBERN
O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@@H](CCO)C1	ZINC000111009799	194381643	/nfs/dbraw/zinc/38/16/43/194381643.db2.gz	UBFRGVJOOAAKOX-JTQLQIEISA-N	0	0	312.753	2.483	10	5		DEBERN
CC(C)N(CCCO)C(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000111009718	194382202	/nfs/dbraw/zinc/38/22/02/194382202.db2.gz	CZQSUIHJJWTKDR-UHFFFAOYSA-N	0	0	300.742	2.481	10	5		DEBERN
CNc1ccc(S(=O)(=O)N(C)CC2CCC2)c([N+](=O)[O-])c1	ZINC000061487185	184171267	/nfs/dbraw/zinc/17/12/67/184171267.db2.gz	UNUWNLDLTQPDOR-UHFFFAOYSA-N	0	0	313.379	2.057	10	5		DEBERN
O=C([O-])[C@@H](CCOc1cc([N+](=O)[O-])ccc1Cl)[NH2+]C1CC1	ZINC000069508027	184520614	/nfs/dbraw/zinc/52/06/14/184520614.db2.gz	KOEUQOHCZZLMSH-LLVKDONJSA-N	0	0	314.725	2.222	10	5		DEBERN
CC(=O)N1CC[C@@](C)(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])C1	ZINC000537136681	284984159	/nfs/dbraw/zinc/98/41/59/284984159.db2.gz	USWXTTONNPCKDE-BDJLRTHQSA-N	0	0	319.361	2.031	10	5		DEBERN
O=C1CN(c2ccccc2[N+](=O)[O-])CCN1CC1CCCC1	ZINC000158392398	296337434	/nfs/dbraw/zinc/33/74/34/296337434.db2.gz	QACZXZZOVAYRCZ-UHFFFAOYSA-N	0	0	303.362	2.434	10	5		DEBERN
COc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1O	ZINC000438093532	532982671	/nfs/dbraw/zinc/98/26/71/532982671.db2.gz	LGKRGUZDZPNLNR-UHFFFAOYSA-N	0	0	318.285	2.327	10	5		DEBERN
CC(C)(C)C1=CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1	ZINC000270225375	208291537	/nfs/dbraw/zinc/29/15/37/208291537.db2.gz	IMCOFXGSAGNTLW-UHFFFAOYSA-N	0	0	304.350	2.271	10	5		DEBERN
CNc1c(Cl)cc(C(=O)N[C@@H]2CCO[C@H]2C)cc1[N+](=O)[O-]	ZINC000156894322	197148712	/nfs/dbraw/zinc/14/87/12/197148712.db2.gz	CRFDCMFKBBYMON-OIBJUYFYSA-N	0	0	313.741	2.197	10	5		DEBERN
O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H]3CCCC[C@@H]3O)cc2N1	ZINC000156859592	197145347	/nfs/dbraw/zinc/14/53/47/197145347.db2.gz	HZWLCCPZSWVRIU-NHYWBVRUSA-N	0	0	319.361	2.443	10	5		DEBERN
COc1cnccc1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000189528881	533140570	/nfs/dbraw/zinc/14/05/70/533140570.db2.gz	KWZFIZQGFYHFEO-SNVBAGLBSA-N	0	0	301.302	2.489	10	5		DEBERN
COc1cnccc1[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N	ZINC000189695766	533148587	/nfs/dbraw/zinc/14/85/87/533148587.db2.gz	KANJMNPLIRMRID-VIFPVBQESA-N	0	0	316.317	2.072	10	5		DEBERN
COC(=O)[C@@]12CCC[C@H]1CN(c1nccc(C)c1[N+](=O)[O-])C2	ZINC000302141387	533155199	/nfs/dbraw/zinc/15/51/99/533155199.db2.gz	FPFXSVJEDNGKSA-XHDPSFHLSA-N	0	0	305.334	2.078	10	5		DEBERN
O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@](O)(C(F)(F)F)C1	ZINC000153822805	196912275	/nfs/dbraw/zinc/91/22/75/196912275.db2.gz	WYQUJPXEKLHABJ-SECBINFHSA-N	0	0	311.647	2.147	10	5		DEBERN
C[C@@H]1CC[C@H](C)CN1S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1	ZINC000125646529	195772371	/nfs/dbraw/zinc/77/23/71/195772371.db2.gz	WPPLDGLKFKEUID-JGVFFNPUSA-N	0	0	319.408	2.048	10	5		DEBERN
CCOc1cccnc1C(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000176128345	132517540	/nfs/dbraw/zinc/51/75/40/132517540.db2.gz	DGUJJZXKQQOFSS-UHFFFAOYSA-N	0	0	301.302	2.319	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCc3nnc(C(C)C)n3C2)n1	ZINC000178203904	132533288	/nfs/dbraw/zinc/53/32/88/132533288.db2.gz	TYWTXJNQBUXGLH-LLVKDONJSA-N	0	0	316.365	2.440	10	5		DEBERN
CCOc1ccc(C(=O)NC[C@]2(O)CCC[C@@H]2C)cc1[N+](=O)[O-]	ZINC000359787858	133144742	/nfs/dbraw/zinc/14/47/42/133144742.db2.gz	GOXZNACIYUWFKF-MEDUHNTESA-N	0	0	322.361	2.274	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CCC(NC(=O)C3CC3)CC2)n1	ZINC000548614711	285764525	/nfs/dbraw/zinc/76/45/25/285764525.db2.gz	JMENNBWALLTJPD-UHFFFAOYSA-N	0	0	318.377	2.102	10	5		DEBERN
C[C@@H]1CCN(c2cc(N)ccc2[N+](=O)[O-])C[C@H]1n1ccnc1	ZINC000249283671	296564305	/nfs/dbraw/zinc/56/43/05/296564305.db2.gz	NKYITOKFQMGZQW-IAQYHMDHSA-N	0	0	301.350	2.461	10	5		DEBERN
Cc1nccn1C[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000124831408	144713861	/nfs/dbraw/zinc/71/38/61/144713861.db2.gz	RTXCNQPVRMVIFB-NSHDSACASA-N	0	0	316.361	2.474	10	5		DEBERN
CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](CO)C2CC2)c1	ZINC000358292274	147107045	/nfs/dbraw/zinc/10/70/45/147107045.db2.gz	ARGLXJZXZVZAJH-JTQLQIEISA-N	0	0	310.375	2.065	10	5		DEBERN
O=C(c1csc([N+](=O)[O-])c1)N1CC(O)(c2ccc(F)cc2)C1	ZINC000375019163	148317547	/nfs/dbraw/zinc/31/75/47/148317547.db2.gz	UPOGWLSZISVVCI-UHFFFAOYSA-N	0	0	322.317	2.139	10	5		DEBERN
CC(=O)c1cc(N2C[C@H]3CCC[C@@H](C2)C3O)ccc1[N+](=O)[O-]	ZINC000376171063	148463885	/nfs/dbraw/zinc/46/38/85/148463885.db2.gz	HYKMWHKMIJHDPU-HBBFGDNQSA-N	0	0	304.346	2.395	10	5		DEBERN
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(C)COC1	ZINC000112616493	401751309	/nfs/dbraw/zinc/75/13/09/401751309.db2.gz	SZPYMLRGUZHKBX-JTQLQIEISA-N	0	0	310.375	2.228	10	5		DEBERN
O=C(Nc1ccc2c(c1)OCC(=O)N2)c1cccc([N+](=O)[O-])c1	ZINC000012098066	401779262	/nfs/dbraw/zinc/77/92/62/401779262.db2.gz	HJCJMEUIJHWCPR-UHFFFAOYSA-N	0	0	313.269	2.178	10	5		DEBERN
CCC[NH+]1CCC(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])CC1	ZINC000128639359	401785984	/nfs/dbraw/zinc/78/59/84/401785984.db2.gz	KHBARTDDBZLEAR-UHFFFAOYSA-N	0	0	321.377	2.152	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000116122357	401843013	/nfs/dbraw/zinc/84/30/13/401843013.db2.gz	ACMKMWGYONUAHT-GFCCVEGCSA-N	0	0	314.345	2.266	10	5		DEBERN
CNC(=O)Cc1nc(COc2cccc(C)c2[N+](=O)[O-])cs1	ZINC000131355946	401849262	/nfs/dbraw/zinc/84/92/62/401849262.db2.gz	KXLPJJMLNRMDTB-UHFFFAOYSA-N	0	0	321.358	2.227	10	5		DEBERN
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc2n1CCCC2	ZINC000135294763	401934435	/nfs/dbraw/zinc/93/44/35/401934435.db2.gz	WGBFQXQZGMTCTG-SNVBAGLBSA-N	0	0	315.333	2.014	10	5		DEBERN
CCOC(=O)CC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000089804810	401965429	/nfs/dbraw/zinc/96/54/29/401965429.db2.gz	XUIULBAYDWVDBR-NSHDSACASA-N	0	0	308.334	2.365	10	5		DEBERN
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@H]1Cc1cccc(F)c1	ZINC000136621642	401970174	/nfs/dbraw/zinc/97/01/74/401970174.db2.gz	YZCARFJYSRQEPX-LBPRGKRZSA-N	0	0	318.308	2.304	10	5		DEBERN
CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000137110214	401979168	/nfs/dbraw/zinc/97/91/68/401979168.db2.gz	YYBIHILPSCWVBY-GFCCVEGCSA-N	0	0	309.366	2.007	10	5		DEBERN
CCOc1ncccc1NC(=O)c1cc([N+](=O)[O-])cnc1C	ZINC000049723483	402021409	/nfs/dbraw/zinc/02/14/09/402021409.db2.gz	KYQDHAZQFSQSST-UHFFFAOYSA-N	0	0	302.290	2.344	10	5		DEBERN
CC(C)(C)OC(=O)NC[C@@H]1CCCN1c1ccc([N+](=O)[O-])cn1	ZINC000095087646	402025099	/nfs/dbraw/zinc/02/50/99/402025099.db2.gz	VMBNVSDDDHOZIQ-NSHDSACASA-N	0	0	322.365	2.483	10	5		DEBERN
CC(=O)N[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1	ZINC000153836182	402173824	/nfs/dbraw/zinc/17/38/24/402173824.db2.gz	XPXNLUSZSBIASA-NFBGWVBBSA-N	0	0	303.362	2.209	10	5		DEBERN
COc1ccc(OCc2nsc(N(C)C)n2)c([N+](=O)[O-])c1	ZINC000125358249	402227430	/nfs/dbraw/zinc/22/74/30/402227430.db2.gz	LWOZNMZMIFDMFG-UHFFFAOYSA-N	0	0	310.335	2.100	10	5		DEBERN
CN(C)c1ncc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cn1	ZINC000124970850	402206962	/nfs/dbraw/zinc/20/69/62/402206962.db2.gz	SUSQWBAKNPWIPZ-UHFFFAOYSA-N	0	0	321.724	2.357	10	5		DEBERN
CCCCN(CCOC)S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000068921303	402209295	/nfs/dbraw/zinc/20/92/95/402209295.db2.gz	KZOYKBKXFZPOPU-UHFFFAOYSA-N	0	0	322.408	2.094	10	5		DEBERN
Cc1noc([C@@H]2COCCN2Cc2cccc([N+](=O)[O-])c2C)n1	ZINC000185086220	402323325	/nfs/dbraw/zinc/32/33/25/402323325.db2.gz	GORWUVKURLUIGJ-AWEZNQCLSA-N	0	0	318.333	2.168	10	5		DEBERN
CCCN(CCC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000071808446	402280061	/nfs/dbraw/zinc/28/00/61/402280061.db2.gz	ORRLWOWSLXJSMX-UHFFFAOYSA-N	0	0	316.379	2.414	10	5		DEBERN
Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1c[nH]nc1-c1ccccn1	ZINC000185867142	402384153	/nfs/dbraw/zinc/38/41/53/402384153.db2.gz	PGYAHUATOURZSC-UHFFFAOYSA-N	0	0	324.300	2.214	10	5		DEBERN
O=[N+]([O-])c1ccc(N2C[C@@H](c3ccsc3)[C@H](CO)C2)nc1	ZINC000186141660	402404873	/nfs/dbraw/zinc/40/48/73/402404873.db2.gz	RWYMUIUWLAXMBF-AAEUAGOBSA-N	0	0	305.359	2.264	10	5		DEBERN
O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1Cn1ccnc1	ZINC000177810300	402438606	/nfs/dbraw/zinc/43/86/06/402438606.db2.gz	BPMCLDJOCVIJGX-OAHLLOKOSA-N	0	0	314.345	2.025	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1	ZINC000163094468	402441430	/nfs/dbraw/zinc/44/14/30/402441430.db2.gz	YHDFNCHOHIYZJY-WDEREUQCSA-N	0	0	320.349	2.069	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(N2CCC(Cn3cccn3)CC2)n1	ZINC000178215256	402471708	/nfs/dbraw/zinc/47/17/08/402471708.db2.gz	XIHNUBSKLUQFPK-UHFFFAOYSA-N	0	0	301.350	2.411	10	5		DEBERN
C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[C@@H]1C	ZINC000166204394	402482620	/nfs/dbraw/zinc/48/26/20/402482620.db2.gz	TVRVQTSRQVVCJM-IUCAKERBSA-N	0	0	304.393	2.323	10	5		DEBERN
O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1Cc2ccccc2[C@@H]1O	ZINC000170993118	402547709	/nfs/dbraw/zinc/54/77/09/402547709.db2.gz	YETFTEDHZQEVDC-GJZGRUSLSA-N	0	0	313.313	2.375	10	5		DEBERN
O=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccc(Cl)cn1	ZINC000181645644	402652573	/nfs/dbraw/zinc/65/25/73/402652573.db2.gz	JEYOOWPNHGRNMG-UHFFFAOYSA-N	0	0	321.720	2.338	10	5		DEBERN
COC[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccco1	ZINC000173771311	402711688	/nfs/dbraw/zinc/71/16/88/402711688.db2.gz	SAICDZGZFPROJN-LBPRGKRZSA-N	0	0	305.290	2.009	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H](SC)C2)n1	ZINC000191621032	402682492	/nfs/dbraw/zinc/68/24/92/402682492.db2.gz	JENVESBHJOFAQM-ZJUUUORDSA-N	0	0	312.395	2.215	10	5		DEBERN
Cc1nn(C)c(C)c1CCNC(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000193312505	402770487	/nfs/dbraw/zinc/77/04/87/402770487.db2.gz	KAEPBLHQRLDECK-UHFFFAOYSA-N	0	0	316.361	2.226	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(Cl)cn2)n1	ZINC000194671356	402809288	/nfs/dbraw/zinc/80/92/88/402809288.db2.gz	PKGRAYMCKZCFCJ-QMMMGPOBSA-N	0	0	323.740	2.351	10	5		DEBERN
Cc1c(NC(=O)N[C@H]2CCCn3ncnc32)cccc1[N+](=O)[O-]	ZINC000175871834	402839645	/nfs/dbraw/zinc/83/96/45/402839645.db2.gz	SINHBKPWALSSMN-NSHDSACASA-N	0	0	316.321	2.151	10	5		DEBERN
CCOC(=O)[C@@H](C)CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000175185528	402785971	/nfs/dbraw/zinc/78/59/71/402785971.db2.gz	KHQGEKZCKPBSIS-VIFPVBQESA-N	0	0	319.317	2.005	10	5		DEBERN
C[C@@]12CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@@H]1C2(F)F	ZINC000293767286	403559286	/nfs/dbraw/zinc/55/92/86/403559286.db2.gz	XYZZSYDHDXFTPJ-GXFFZTMASA-N	0	0	311.288	2.294	10	5		DEBERN
Cc1ccc(NC(=O)CCNc2ncc([N+](=O)[O-])cc2C)nc1	ZINC000301247792	403606471	/nfs/dbraw/zinc/60/64/71/403606471.db2.gz	QVFSCKJGLSNOII-UHFFFAOYSA-N	0	0	315.333	2.442	10	5		DEBERN
CC(=O)c1cc([N+](=O)[O-])ccc1OCc1nsc(N(C)C)n1	ZINC000340486259	403626678	/nfs/dbraw/zinc/62/66/78/403626678.db2.gz	CYVIVHJXJDKSOL-UHFFFAOYSA-N	0	0	322.346	2.294	10	5		DEBERN
CC[C@@H](C)CN(CC)c1nc2ccccn2c(=O)c1[N+](=O)[O-]	ZINC000301490301	403636482	/nfs/dbraw/zinc/63/64/82/403636482.db2.gz	MGJSKZZORPSEKK-LLVKDONJSA-N	0	0	304.350	2.475	10	5		DEBERN
CC(C)CCN(C)c1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1	ZINC000301798997	403681587	/nfs/dbraw/zinc/68/15/87/403681587.db2.gz	RIUSLDFEVIEHLL-UHFFFAOYSA-N	0	0	300.380	2.481	10	5		DEBERN
COc1cc(C(=O)N2CCOCC[C@H]2C)cc([N+](=O)[O-])c1C	ZINC000365366222	404634919	/nfs/dbraw/zinc/63/49/19/404634919.db2.gz	RZIBUSKDFLANHC-SNVBAGLBSA-N	0	0	308.334	2.163	10	5		DEBERN
COc1cccc(C(=O)Nc2ccc(N(C)C)nc2)c1[N+](=O)[O-]	ZINC000435663763	405001991	/nfs/dbraw/zinc/00/19/91/405001991.db2.gz	PTNCZKGBPAVOQA-UHFFFAOYSA-N	0	0	316.317	2.317	10	5		DEBERN
C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000407990902	405085400	/nfs/dbraw/zinc/08/54/00/405085400.db2.gz	QXYXMMJPSMDHFX-TZMCWYRMSA-N	0	0	305.378	2.359	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1	ZINC000408134164	405120052	/nfs/dbraw/zinc/12/00/52/405120052.db2.gz	REIYCZZFYKDZLA-UONOGXRCSA-N	0	0	321.377	2.167	10	5		DEBERN
Cc1nc(N2CCC[C@H](C(=O)N3CCCC3)C2)ccc1[N+](=O)[O-]	ZINC000408280268	405161334	/nfs/dbraw/zinc/16/13/34/405161334.db2.gz	GUVIEUVBBNTJDS-ZDUSSCGKSA-N	0	0	318.377	2.137	10	5		DEBERN
CC(=O)CCCC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000584204325	405845115	/nfs/dbraw/zinc/84/51/15/405845115.db2.gz	DYLMHXMSANNRPZ-UHFFFAOYSA-N	0	0	317.345	2.494	10	5		DEBERN
CCOc1ccc(C(=O)NC[C@H]2CC[C@@H](C)O2)cc1[N+](=O)[O-]	ZINC000457463225	405853140	/nfs/dbraw/zinc/85/31/40/405853140.db2.gz	XQPDGBCONWTNMO-ZYHUDNBSSA-N	0	0	308.334	2.291	10	5		DEBERN
CC[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(F)F	ZINC000451076587	406041205	/nfs/dbraw/zinc/04/12/05/406041205.db2.gz	AFTTXMXHCRATJN-JTQLQIEISA-N	0	0	308.306	2.058	10	5		DEBERN
C[C@]12CCN(c3ccc4ncc([N+](=O)[O-])n4n3)C[C@H]1C2(F)F	ZINC000518870287	406162305	/nfs/dbraw/zinc/16/23/05/406162305.db2.gz	FYVIEJZGNSEUQZ-PELKAZGASA-N	0	0	309.276	2.119	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC(C2CCOCC2)CC1	ZINC000548860519	406561528	/nfs/dbraw/zinc/56/15/28/406561528.db2.gz	XAIPHVUJNYXKIW-UHFFFAOYSA-N	0	0	307.350	2.202	10	5		DEBERN
COc1cc(I)c([N+](=O)[O-])cc1C=O	ZINC000575729062	406826151	/nfs/dbraw/zinc/82/61/51/406826151.db2.gz	YQQDTYSAQGJEDI-UHFFFAOYSA-N	0	0	307.043	2.021	10	5		DEBERN
COC(=O)C1CCN(c2cc(F)cc(F)c2[N+](=O)[O-])CC1	ZINC000129398050	196044992	/nfs/dbraw/zinc/04/49/92/196044992.db2.gz	WNOZFHHWDBFTGT-UHFFFAOYSA-N	0	0	300.261	2.262	10	5		DEBERN
CC(C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131163797	196145735	/nfs/dbraw/zinc/14/57/35/196145735.db2.gz	JESJFSLIPWSUEJ-SECBINFHSA-N	0	0	304.343	2.447	10	5		DEBERN
C[C@@H]1C[C@@H]1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131228015	196151552	/nfs/dbraw/zinc/15/15/52/196151552.db2.gz	MCKRQCZUBAGFGV-RKDXNWHRSA-N	0	0	302.327	2.010	10	5		DEBERN
C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)[C@@H]1C	ZINC000131240786	196153486	/nfs/dbraw/zinc/15/34/86/196153486.db2.gz	KJGNVRBGOXIAOH-LNLATYFQSA-N	0	0	316.354	2.447	10	5		DEBERN
CCCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(NC)c1	ZINC000131486290	196173360	/nfs/dbraw/zinc/17/33/60/196173360.db2.gz	CEHBNOFUKHGEOO-UHFFFAOYSA-N	0	0	301.368	2.057	10	5		DEBERN
CCc1nn(Cc2nnsc2Cl)c(CC)c1[N+](=O)[O-]	ZINC000131811386	196200946	/nfs/dbraw/zinc/20/09/46/196200946.db2.gz	MJAZRFBGAVOPJZ-UHFFFAOYSA-N	0	0	301.759	2.469	10	5		DEBERN
CCC[C@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(NC)c1	ZINC000131976796	196215550	/nfs/dbraw/zinc/21/55/50/196215550.db2.gz	QKESIJJFDKCUSC-JTQLQIEISA-N	0	0	315.395	2.446	10	5		DEBERN
CCS(=O)(=O)C[C@@H](C)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000132218609	196235897	/nfs/dbraw/zinc/23/58/97/196235897.db2.gz	DGZQZLVGXJDPCJ-MRVPVSSYSA-N	0	0	306.771	2.483	10	5		DEBERN
CCS(=O)(=O)C[C@@H](C)Nc1cc([N+](=O)[O-])c(F)cc1F	ZINC000132223980	196236658	/nfs/dbraw/zinc/23/66/58/196236658.db2.gz	FSCWJILWUISODK-SSDOTTSWSA-N	0	0	308.306	2.108	10	5		DEBERN
C[C@](N)(C(=O)Nc1c(F)cc(F)cc1[N+](=O)[O-])C(F)(F)F	ZINC000132538193	196264091	/nfs/dbraw/zinc/26/40/91/196264091.db2.gz	WNKYSUOVAURSLL-VIFPVBQESA-N	0	0	313.182	2.091	10	5		DEBERN
COc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1CO	ZINC000132581089	196267029	/nfs/dbraw/zinc/26/70/29/196267029.db2.gz	XAMNMVXJRXDCKF-UHFFFAOYSA-N	0	0	317.301	2.051	10	5		DEBERN
CCNc1cc(N[C@]2(C)CCS(=O)(=O)C2)cc([N+](=O)[O-])c1	ZINC000133101905	196311622	/nfs/dbraw/zinc/31/16/22/196311622.db2.gz	GEOXCWZCTIESDG-CYBMUJFWSA-N	0	0	313.379	2.016	10	5		DEBERN
C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)CO	ZINC000133767894	196335411	/nfs/dbraw/zinc/33/54/11/196335411.db2.gz	OTWICKPZQIOIKH-HTQZYQBOSA-N	0	0	301.730	2.387	10	5		DEBERN
C[C@@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)[C@@H]1CCCO1	ZINC000134037914	196355833	/nfs/dbraw/zinc/35/58/33/196355833.db2.gz	OHRGKIOGXGZDMJ-KRTXAFLBSA-N	0	0	300.261	2.170	10	5		DEBERN
CS[C@H](C)CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000134250049	196373403	/nfs/dbraw/zinc/37/34/03/196373403.db2.gz	YPKPKIOYDJCFGD-MRVPVSSYSA-N	0	0	322.383	2.154	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc3c(cc2C)OCO3)n1	ZINC000191703905	225116006	/nfs/dbraw/zinc/11/60/06/225116006.db2.gz	VZRLABPDCLXLDQ-UHFFFAOYSA-N	0	0	318.289	2.101	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)c2ncc(C)s2)n1	ZINC000191708683	225116030	/nfs/dbraw/zinc/11/60/30/225116030.db2.gz	FSLRETWSEZKUOQ-MRVPVSSYSA-N	0	0	323.378	2.110	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCc2nc(C(C)C)cs2)n1	ZINC000191852964	225117854	/nfs/dbraw/zinc/11/78/54/225117854.db2.gz	UTGMQOZPSUGLJF-UHFFFAOYSA-N	0	0	323.378	2.321	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C3CCCC3)[nH]n2)n1	ZINC000191819067	225117910	/nfs/dbraw/zinc/11/79/10/225117910.db2.gz	HSCLQWLXEYDDNX-UHFFFAOYSA-N	0	0	318.337	2.444	10	5		DEBERN
Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cnc(N(C)C)nc1	ZINC000194947749	292584802	/nfs/dbraw/zinc/58/48/02/292584802.db2.gz	FOKGZIHFXUSXFC-UHFFFAOYSA-N	0	0	301.306	2.012	10	5		DEBERN
Cn1c(CO)nnc1Sc1ccc([N+](=O)[O-])cc1Cl	ZINC000301770410	229882298	/nfs/dbraw/zinc/88/22/98/229882298.db2.gz	PECISUKTRKQBDE-UHFFFAOYSA-N	0	0	300.727	2.020	10	5		DEBERN
Cc1ccc(Oc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)cn1	ZINC000302677600	230346119	/nfs/dbraw/zinc/34/61/19/230346119.db2.gz	VFWAUFIYHDTKBP-UHFFFAOYSA-N	0	0	308.315	2.494	10	5		DEBERN
CS(=O)(=O)c1ccc(CNc2ccncc2[N+](=O)[O-])cc1	ZINC000045173854	424815647	/nfs/dbraw/zinc/81/56/47/424815647.db2.gz	ZITICADVECXRQM-UHFFFAOYSA-N	0	0	307.331	2.005	10	5		DEBERN
Cc1cc(NCC[C@H]2COc3ccccc3O2)ncc1[N+](=O)[O-]	ZINC000360772935	424839115	/nfs/dbraw/zinc/83/91/15/424839115.db2.gz	OZKPUPFFASXBAQ-LBPRGKRZSA-N	0	0	315.329	2.940	10	5		DEBERN
O=[N+]([O-])c1cnc(NCc2ccn(Cc3ccccc3)n2)s1	ZINC000343137276	424973029	/nfs/dbraw/zinc/97/30/29/424973029.db2.gz	CUYWWTZKGLGQEO-UHFFFAOYSA-N	0	0	315.358	2.908	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CCOc1ccccc1	ZINC000195205783	268566906	/nfs/dbraw/zinc/56/69/06/268566906.db2.gz	XGDWCDUQVARNIE-UHFFFAOYSA-N	0	0	315.329	2.449	10	5		DEBERN
CCC[C@]1(C)C(=O)NCCN1Cc1ccc([N+](=O)[O-])cc1C	ZINC000189040250	276292935	/nfs/dbraw/zinc/29/29/35/276292935.db2.gz	METJTDKITBYEGT-MRXNPFEDSA-N	0	0	305.378	2.394	10	5		DEBERN
Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000081581728	279136796	/nfs/dbraw/zinc/13/67/96/279136796.db2.gz	UUZUTDXZWYFCOO-GFCCVEGCSA-N	0	0	315.333	2.068	10	5		DEBERN
CCOC(=O)CN(C(=O)c1ccc([N+](=O)[O-])s1)C(C)(C)C	ZINC000193835077	279548497	/nfs/dbraw/zinc/54/84/97/279548497.db2.gz	HRNHPOGFEFOBBN-UHFFFAOYSA-N	0	0	314.363	2.460	10	5		DEBERN
CCOC(=O)c1ccnc(N2CC[C@H](C)[C@H](OC)C2)c1[N+](=O)[O-]	ZINC000275976621	279638500	/nfs/dbraw/zinc/63/85/00/279638500.db2.gz	ICTIWPXTYQTYMJ-CMPLNLGQSA-N	0	0	323.349	2.028	10	5		DEBERN
O=C(c1cnn2c1CCCC2)N1CCc2ccc([N+](=O)[O-])cc21	ZINC000126084157	280233788	/nfs/dbraw/zinc/23/37/88/280233788.db2.gz	YQZXMQDIOPIHFE-UHFFFAOYSA-N	0	0	312.329	2.331	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCO[C@@H]2CC(C)C)n1	ZINC000191716608	288711234	/nfs/dbraw/zinc/71/12/34/288711234.db2.gz	PJASYAVPBJLROX-DGCLKSJQSA-N	0	0	324.381	2.135	10	5		DEBERN
Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H]1c1nc2c([nH]1)CCCC2	ZINC000275510826	294459510	/nfs/dbraw/zinc/45/95/10/294459510.db2.gz	DGCGYCRDRUXWKN-GFCCVEGCSA-N	0	0	316.365	2.272	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](C)OC3(CCOCC3)C2)n1	ZINC000408449119	301205500	/nfs/dbraw/zinc/20/55/00/301205500.db2.gz	AEJALFYVQGIKNS-CYBMUJFWSA-N	0	0	321.377	2.381	10	5		DEBERN
CSc1cccc(C(=O)N2CCN(C3CC3)CC2)c1[N+](=O)[O-]	ZINC000188090796	333027747	/nfs/dbraw/zinc/02/77/47/333027747.db2.gz	UTYJDVUTLAHWFS-UHFFFAOYSA-N	0	0	321.402	2.237	10	5		DEBERN
CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)[nH]n1	ZINC000180927299	333166118	/nfs/dbraw/zinc/16/61/18/333166118.db2.gz	JTZMYSBKZXTKOH-UHFFFAOYSA-N	0	0	324.318	2.117	10	5		DEBERN
CCN(Cc1ccccc1)C(=O)COc1cccnc1[N+](=O)[O-]	ZINC000005971632	521360956	/nfs/dbraw/zinc/36/09/56/521360956.db2.gz	JGXUUJRSGHKBKK-UHFFFAOYSA-N	0	0	315.329	2.417	10	5		DEBERN
Cc1ccc(NCCCNC(=O)[C@@H]2CC[C@@H](C)O2)c([N+](=O)[O-])c1	ZINC000155974146	525276796	/nfs/dbraw/zinc/27/67/96/525276796.db2.gz	IRRMIHPLCILITG-DOMZBBRYSA-N	0	0	321.377	2.389	10	5		DEBERN
CCCC(O)(CCC)CNC(=O)c1cc([N+](=O)[O-])cnc1C	ZINC000174461553	528016786	/nfs/dbraw/zinc/01/67/86/528016786.db2.gz	GLLSIZZTYMPYGK-UHFFFAOYSA-N	0	0	309.366	2.359	10	5		DEBERN
CC(C)c1ccc(CN2CCN3CCOC[C@H]3C2)cc1[N+](=O)[O-]	ZINC000375239342	535371320	/nfs/dbraw/zinc/37/13/20/535371320.db2.gz	UFAXAUISIHAJMU-OAHLLOKOSA-N	0	0	319.405	2.235	10	5		DEBERN
CC[C@@](C)(O)CNc1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-]	ZINC000255590982	625371042	/nfs/dbraw/zinc/37/10/42/625371042.db2.gz	RIQKZXSIJUUTHE-DDJMYBDESA-N	0	0	308.334	2.354	10	5		DEBERN
Cc1ccc(CCC(=O)OCCn2cc([N+](=O)[O-])cn2)cc1	ZINC000177748971	625082383	/nfs/dbraw/zinc/08/23/83/625082383.db2.gz	CAOWXGMVTBLZKL-UHFFFAOYSA-N	0	0	303.318	2.276	10	5		DEBERN
O=[N+]([O-])c1ccc(OCCNc2ccc([N+](=O)[O-])nc2)cc1	ZINC000735487495	633513051	/nfs/dbraw/zinc/51/30/51/633513051.db2.gz	LLWRMFPIFMVNDS-UHFFFAOYSA-N	0	0	304.262	2.389	10	5		DEBERN
O=c1ccc(C(F)(F)F)nn1Cc1cc(F)ccc1[N+](=O)[O-]	ZINC000178876068	636471092	/nfs/dbraw/zinc/47/10/92/636471092.db2.gz	APDVUEPEXFMRGH-UHFFFAOYSA-N	0	0	317.198	2.358	10	5		DEBERN
C/C(=C/C(=O)N(C)Cc1noc(C)n1)c1ccc([N+](=O)[O-])cc1	ZINC000752756774	639216174	/nfs/dbraw/zinc/21/61/74/639216174.db2.gz	GKXWIRJKFGGQEL-NTMALXAHSA-N	0	0	316.317	2.348	10	5		DEBERN
O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H](Oc2ccccn2)C1	ZINC000238865853	643308904	/nfs/dbraw/zinc/30/89/04/643308904.db2.gz	LTMBEGJQRBEPNR-CQSZACIVSA-N	0	0	313.313	2.283	10	5		DEBERN
Cc1cnc(COC(=O)Cc2ccc(F)cn2)c(C)c1[N+](=O)[O-]	ZINC000805928578	643869693	/nfs/dbraw/zinc/86/96/93/643869693.db2.gz	XIHGPKNTXCHVLQ-UHFFFAOYSA-N	0	0	319.292	2.427	10	5		DEBERN
C/C(=C/C(=O)O[C@@H]1CC(=O)N(C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1	ZINC000806070012	644506805	/nfs/dbraw/zinc/50/68/05/644506805.db2.gz	GOKYJSFEGYEDBX-KCSRWMALSA-N	0	0	318.329	2.161	10	5		DEBERN
CC(=O)CCC(=O)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1	ZINC000800407289	645268074	/nfs/dbraw/zinc/26/80/74/645268074.db2.gz	AUFZNBNLLKQAEP-CQSZACIVSA-N	0	0	306.318	2.086	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccc[n+]([O-])c1	ZINC000802186222	645494424	/nfs/dbraw/zinc/49/44/24/645494424.db2.gz	YDBJUZZCQJIVPW-XFXZXTDPSA-N	0	0	314.297	2.375	10	5		DEBERN
Cc1cc([N+](=O)[O-])cc(C(=O)OCC(=O)N(C)CC2CC2)c1F	ZINC000803460117	645656650	/nfs/dbraw/zinc/65/66/50/645656650.db2.gz	BWZGXYAAXOPCKI-UHFFFAOYSA-N	0	0	324.308	2.068	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)OCc1nnc(C2CC2)n1C	ZINC000170747291	646665145	/nfs/dbraw/zinc/66/51/45/646665145.db2.gz	OHXMSQWHMIIRAZ-UHFFFAOYSA-N	0	0	316.317	2.266	10	5		DEBERN
C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)N(C)CC1CC1	ZINC000153128071	647359432	/nfs/dbraw/zinc/35/94/32/647359432.db2.gz	PEWUXAIGUITTOV-LLVKDONJSA-N	0	0	303.362	2.214	10	5		DEBERN
Cc1nn(CCC(=O)O[C@@H](C)C(F)(F)F)c(C)c1[N+](=O)[O-]	ZINC000174887775	648192313	/nfs/dbraw/zinc/19/23/13/648192313.db2.gz	GXXYOSLZSKSUQI-QMMMGPOBSA-N	0	0	309.244	2.292	10	5		DEBERN
CN(CCOC(=O)COCC1CC1)c1ccc([N+](=O)[O-])cc1	ZINC000064713583	648354060	/nfs/dbraw/zinc/35/40/60/648354060.db2.gz	BIECSHJJZHNKSL-UHFFFAOYSA-N	0	0	308.334	2.001	10	5		DEBERN
COCc1csc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)n1	ZINC000115723210	652216430	/nfs/dbraw/zinc/21/64/30/652216430.db2.gz	LJASAIBWRXUFBY-UHFFFAOYSA-N	0	0	322.346	2.341	10	5		DEBERN
COC(=O)C[C@H](C)Nc1ncc(Br)cc1[N+](=O)[O-]	ZINC000380878283	685397575	/nfs/dbraw/zinc/39/75/75/685397575.db2.gz	CNXQEUPAOTUJOM-LURJTMIESA-N	0	0	318.127	2.116	10	5		DEBERN
CCCC(=O)NCC(=O)Oc1cc([N+](=O)[O-])c(Cl)cc1C	ZINC000118604887	684072917	/nfs/dbraw/zinc/07/29/17/684072917.db2.gz	WFXOUMUNEORLJW-UHFFFAOYSA-N	0	0	314.725	2.378	10	5		DEBERN
COc1cccc(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])n1	ZINC000120345957	684094913	/nfs/dbraw/zinc/09/49/13/684094913.db2.gz	JVFSJGXZEDAWHE-UHFFFAOYSA-N	0	0	305.265	2.068	10	5		DEBERN
C[C@H]1CC[C@H](C(=O)OCCN(C)c2ccc([N+](=O)[O-])cc2)O1	ZINC000123651477	684127211	/nfs/dbraw/zinc/12/72/11/684127211.db2.gz	FXFDHEIDUXZGCD-SMDDNHRTSA-N	0	0	308.334	2.142	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1Cn1cc([N+](=O)[O-])cc(C)c1=O	ZINC000127170816	684160754	/nfs/dbraw/zinc/16/07/54/684160754.db2.gz	MLWSPEJUGSFLQR-UHFFFAOYSA-N	0	0	319.273	2.030	10	5		DEBERN
C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)c1ccccn1	ZINC000192752415	684456273	/nfs/dbraw/zinc/45/62/73/684456273.db2.gz	RPUAIOZKSAIPPD-SECBINFHSA-N	0	0	314.301	2.494	10	5		DEBERN
COc1ccccc1[C@@H](O)CNC(=O)c1ccc([N+](=O)[O-])s1	ZINC000193226087	685035676	/nfs/dbraw/zinc/03/56/76/685035676.db2.gz	AQPPSSUXSKTFOB-JTQLQIEISA-N	0	0	322.342	2.128	10	5		DEBERN
CC(=O)N1CSC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C	ZINC000194790561	685077418	/nfs/dbraw/zinc/07/74/18/685077418.db2.gz	MCDBQAPDLMSMPT-CYBMUJFWSA-N	0	0	323.374	2.072	10	5		DEBERN
Cc1nc(NC/C=C\CNC(=O)OC(C)(C)C)ccc1[N+](=O)[O-]	ZINC000588432534	777168482	/nfs/dbraw/zinc/16/84/82/777168482.db2.gz	ACUBQYOKMMFECE-WAYWQWQTSA-N	0	0	322.365	2.213	10	5		DEBERN
NC(=O)C1CC(Nc2ccc(Br)cc2[N+](=O)[O-])C1	ZINC000716697702	793001642	/nfs/dbraw/zinc/00/16/42/793001642.db2.gz	IIMORUGFUJXCCS-UHFFFAOYSA-N	0	0	314.139	2.033	10	5		DEBERN
Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000800003626	799295246	/nfs/dbraw/zinc/29/52/46/799295246.db2.gz	BTRIULLMIQBJKS-GFCCVEGCSA-N	0	0	319.748	2.484	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CCC(=O)OC(C)(C)C	ZINC000152408488	282144077	/nfs/dbraw/zinc/14/40/77/282144077.db2.gz	OQMKLJBPXUXXDT-UHFFFAOYSA-N	0	0	323.349	2.102	10	5		DEBERN
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(CCO)CC1	ZINC000188056517	529426192	/nfs/dbraw/zinc/42/61/92/529426192.db2.gz	WYVIUPMZKSHMBF-CQSZACIVSA-N	0	0	320.389	2.442	10	5		DEBERN
Nc1ccc(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c(F)c1	ZINC000165442064	197675714	/nfs/dbraw/zinc/67/57/14/197675714.db2.gz	STZPVYZTLVZSFV-UHFFFAOYSA-N	0	0	310.306	2.290	10	5		DEBERN
CC[C@H]1CO[C@@H](C)CN1C(=O)c1ccnc(Cl)c1[N+](=O)[O-]	ZINC000088802854	185266196	/nfs/dbraw/zinc/26/61/96/185266196.db2.gz	NMVGBFKSIWGFOY-IUCAKERBSA-N	0	0	313.741	2.283	10	5		DEBERN
O=C(c1ccnc(Cl)c1[N+](=O)[O-])N1CCO[C@H]2CCC[C@@H]21	ZINC000088805965	185266205	/nfs/dbraw/zinc/26/62/05/185266205.db2.gz	FBVUNVSONWIJFB-UWVGGRQHSA-N	0	0	311.725	2.037	10	5		DEBERN
CC[C@@H](NC(=O)c1nn(CC)cc1[N+](=O)[O-])c1nc(C)cs1	ZINC000191602120	529679564	/nfs/dbraw/zinc/67/95/64/529679564.db2.gz	CURGMOXTHOCJLF-SECBINFHSA-N	0	0	323.378	2.457	10	5		DEBERN
COCc1cncc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1	ZINC000613175042	362028331	/nfs/dbraw/zinc/02/83/31/362028331.db2.gz	ZORNCEWTFGPXMY-UHFFFAOYSA-N	0	0	313.313	2.339	10	5		DEBERN
COCc1cncc(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)c1	ZINC000613191695	362032918	/nfs/dbraw/zinc/03/29/18/362032918.db2.gz	SJZQIFAXMBXPGJ-UHFFFAOYSA-N	0	0	317.301	2.397	10	5		DEBERN
CC[C@H](NS(=O)(=O)c1cccnc1)c1cccc([N+](=O)[O-])c1	ZINC000090221907	185287080	/nfs/dbraw/zinc/28/70/80/185287080.db2.gz	BCKZFXRWCRAQJS-AWEZNQCLSA-N	0	0	321.358	2.419	10	5		DEBERN
COc1ccc(N)c([S@](=O)Cc2cccc([N+](=O)[O-])c2)c1	ZINC000166229459	197690448	/nfs/dbraw/zinc/69/04/48/197690448.db2.gz	LDGRLESZWQKVHB-NRFANRHFSA-N	0	0	306.343	2.493	10	5		DEBERN
CCc1nc(C(C)(C)NC(=O)Cc2cccc([N+](=O)[O-])c2)no1	ZINC000441723324	529712096	/nfs/dbraw/zinc/71/20/96/529712096.db2.gz	AJIKZMOWXNGAHU-UHFFFAOYSA-N	0	0	318.333	2.134	10	5		DEBERN
O=C(Cc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1c1nc[nH]n1	ZINC000181395999	199289732	/nfs/dbraw/zinc/28/97/32/199289732.db2.gz	AZSIGJVJXYOUBG-ZDUSSCGKSA-N	0	0	315.333	2.009	10	5		DEBERN
CCN(CC(F)F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000186453985	282277139	/nfs/dbraw/zinc/27/71/39/282277139.db2.gz	ZIHRMSRLPIXNEA-UHFFFAOYSA-N	0	0	308.306	2.179	10	5		DEBERN
COC(=O)[C@H]1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])C[C@H]1C	ZINC000187992815	282294768	/nfs/dbraw/zinc/29/47/68/282294768.db2.gz	NBIVSCZQFUPKLD-NEPJUHHUSA-N	0	0	320.345	2.174	10	5		DEBERN
CC(C)[C@H]1C[C@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1	ZINC000188450286	282300960	/nfs/dbraw/zinc/30/09/60/282300960.db2.gz	ZHQMYVDAFBUGEP-HUUCEWRRSA-N	0	0	304.346	2.477	10	5		DEBERN
Cc1nn(CCCOc2ccc3c(c2)OCO3)cc1[N+](=O)[O-]	ZINC000181811237	199354932	/nfs/dbraw/zinc/35/49/32/199354932.db2.gz	KDSYYTKFHFNRJO-UHFFFAOYSA-N	0	0	305.290	2.298	10	5		DEBERN
C[C@H](CO)[C@H](C)Nc1c(Br)cncc1[N+](=O)[O-]	ZINC000231630057	201889828	/nfs/dbraw/zinc/88/98/28/201889828.db2.gz	ZSSYPVSENYYRCU-RQJHMYQMSA-N	0	0	304.144	2.181	10	5		DEBERN
CN1CCN(Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1	ZINC000148465583	186044601	/nfs/dbraw/zinc/04/46/01/186044601.db2.gz	ORAMJRZPFLWTKX-UHFFFAOYSA-N	0	0	304.272	2.188	10	5		DEBERN
CCc1cccc(NC(=O)Cn2cc([N+](=O)[O-])cc(C)c2=O)c1	ZINC000155857823	186118177	/nfs/dbraw/zinc/11/81/77/186118177.db2.gz	DIDYKDCTSPDGFW-UHFFFAOYSA-N	0	0	315.329	2.266	10	5		DEBERN
CC[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CCN1C	ZINC000155978416	186124793	/nfs/dbraw/zinc/12/47/93/186124793.db2.gz	OHVUVVWQFXEXOO-JTQLQIEISA-N	0	0	311.769	2.414	10	5		DEBERN
CC[C@H](NC(=O)NOC[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1	ZINC000188043432	186248422	/nfs/dbraw/zinc/24/84/22/186248422.db2.gz	NOHWTWBWTYQKIY-RISCZKNCSA-N	0	0	323.349	2.313	10	5		DEBERN
CC(C)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1	ZINC000265140677	186337961	/nfs/dbraw/zinc/33/79/61/186337961.db2.gz	QGEBKWKJNFMXOM-LLVKDONJSA-N	0	0	306.366	2.351	10	5		DEBERN
COCCOC[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)C1	ZINC000173147606	198188841	/nfs/dbraw/zinc/18/88/41/198188841.db2.gz	UQTDSFLEBXQRAL-ZDUSSCGKSA-N	0	0	322.361	2.028	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](C)c1cccnc1	ZINC000174162114	198300210	/nfs/dbraw/zinc/30/02/10/198300210.db2.gz	SOLLXYONCBGFFT-LLVKDONJSA-N	0	0	315.329	2.418	10	5		DEBERN
CC(=O)c1ccc(N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c([N+](=O)[O-])c1	ZINC000078565564	355267503	/nfs/dbraw/zinc/26/75/03/355267503.db2.gz	LCUFELQNPAFBFN-BHYNMZESSA-N	0	0	317.345	2.219	10	5		DEBERN
CCc1nn(C)c(N2CCC(c3ccnn3C)CC2)c1[N+](=O)[O-]	ZINC000092829474	355652823	/nfs/dbraw/zinc/65/28/23/355652823.db2.gz	RSGIGWKJVYZCKR-UHFFFAOYSA-N	0	0	318.381	2.008	10	5		DEBERN
O=[N+]([O-])c1cc2c(I)[nH]nc2c(F)c1	ZINC000096320982	355699163	/nfs/dbraw/zinc/69/91/63/355699163.db2.gz	LXKOYGLPPQSSKF-UHFFFAOYSA-N	0	0	307.022	2.215	10	5		DEBERN
Cn1c([N+](=O)[O-])cnc1[C@H](O)c1cccc(C(C)(C)C)c1O	ZINC000005114336	181205161	/nfs/dbraw/zinc/20/51/61/181205161.db2.gz	MCNHVAPDUVFZDZ-CYBMUJFWSA-N	0	0	305.334	2.413	10	5		DEBERN
CCOc1ccc2[nH]cc(C[C@](C)(C(=O)OC)[N+](=O)[O-])c2c1	ZINC000140388420	355885553	/nfs/dbraw/zinc/88/55/53/355885553.db2.gz	LETZHHRTLDCUFI-OAHLLOKOSA-N	0	0	306.318	2.318	10	5		DEBERN
Cc1ccccc1C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C(N)=O	ZINC000194077608	356233273	/nfs/dbraw/zinc/23/32/73/356233273.db2.gz	QNBFNAJEHITWHU-LLVKDONJSA-N	0	0	314.345	2.440	10	5		DEBERN
CC(C)[C@@H](C)CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000184558291	356193801	/nfs/dbraw/zinc/19/38/01/356193801.db2.gz	QPHNSKYNDPUMHB-NSHDSACASA-N	0	0	300.380	2.306	10	5		DEBERN
O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1nccs1	ZINC000005568352	181258740	/nfs/dbraw/zinc/25/87/40/181258740.db2.gz	QTIMINLAWMHTMK-UHFFFAOYSA-N	0	0	308.275	2.141	10	5		DEBERN
COc1cc(OC)c(I)c([N+](=O)[O-])c1	ZINC000306897131	356405954	/nfs/dbraw/zinc/40/59/54/356405954.db2.gz	SAYUQHCJUBXKDP-UHFFFAOYSA-N	0	0	309.059	2.217	10	5		DEBERN
CC1(O)CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)CC1	ZINC000177767961	198772724	/nfs/dbraw/zinc/77/27/24/198772724.db2.gz	GWIKUUOAFCNEBA-UHFFFAOYSA-N	0	0	303.318	2.063	10	5		DEBERN
COC[C@H]1CN(c2nc(C)cc(C)c2[N+](=O)[O-])CC(C)(C)O1	ZINC000585780802	357354266	/nfs/dbraw/zinc/35/42/66/357354266.db2.gz	XGGLSLXJVUYIOJ-GFCCVEGCSA-N	0	0	309.366	2.237	10	5		DEBERN
COC(=O)c1cc(C)nc(N2C[C@H](C)O[C@H](C)[C@H]2C)c1[N+](=O)[O-]	ZINC000588027523	357389857	/nfs/dbraw/zinc/38/98/57/357389857.db2.gz	SNFIOYJFVHQZKE-HBNTYKKESA-N	0	0	323.349	2.087	10	5		DEBERN
O=[N+]([O-])c1cnc(N[C@@H](CO)C2CCC2)c(Br)c1	ZINC000596324197	358668094	/nfs/dbraw/zinc/66/80/94/358668094.db2.gz	UWSOCBYYBCTYAD-JTQLQIEISA-N	0	0	316.155	2.325	10	5		DEBERN
CCOC(=O)CN(C(=O)Cc1ccccc1[N+](=O)[O-])C(C)(C)C	ZINC000187488414	200118894	/nfs/dbraw/zinc/11/88/94/200118894.db2.gz	OZWQTHHSXMQYIV-UHFFFAOYSA-N	0	0	322.361	2.328	10	5		DEBERN
CO[C@@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C	ZINC000187422359	200110577	/nfs/dbraw/zinc/11/05/77/200110577.db2.gz	GDUFCFZPQFFSCR-SWLSCSKDSA-N	0	0	321.377	2.204	10	5		DEBERN
CO[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[C@H]1C	ZINC000187699565	200146658	/nfs/dbraw/zinc/14/66/58/200146658.db2.gz	YZBIQIOFCPAEEL-IUODEOHRSA-N	0	0	306.362	2.411	10	5		DEBERN
CO[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC[C@H]1C	ZINC000187700694	200146886	/nfs/dbraw/zinc/14/68/86/200146886.db2.gz	VBQLRWRBHXERHJ-ABAIWWIYSA-N	0	0	306.362	2.329	10	5		DEBERN
O=C(NCCCC1CC1)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000609865792	361344097	/nfs/dbraw/zinc/34/40/97/361344097.db2.gz	HSKUGRNVADFWQK-UHFFFAOYSA-N	0	0	306.318	2.286	10	5		DEBERN
O=C(C1CCCC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])nc2)C1	ZINC000610770536	361463920	/nfs/dbraw/zinc/46/39/20/361463920.db2.gz	JDHPOECCFJQELO-CYBMUJFWSA-N	0	0	304.350	2.193	10	5		DEBERN
O=c1c(Br)cncn1CCc1ccc([N+](=O)[O-])cc1	ZINC000090765020	192928970	/nfs/dbraw/zinc/92/89/70/192928970.db2.gz	IHHFGLPBAANQCO-UHFFFAOYSA-N	0	0	324.134	2.157	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(NCCN2CCOC(C)(C)C2)n1	ZINC000611616046	361645549	/nfs/dbraw/zinc/64/55/49/361645549.db2.gz	MOUBNIQGWIYWKV-UHFFFAOYSA-N	0	0	308.382	2.129	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CCN(CCOC(C)C)CC2)n1	ZINC000611617031	361645637	/nfs/dbraw/zinc/64/56/37/361645637.db2.gz	XIXLYNQCBUJSGF-UHFFFAOYSA-N	0	0	322.409	2.154	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H](Cn3cncn3)C2)n1	ZINC000611616492	361645773	/nfs/dbraw/zinc/64/57/73/361645773.db2.gz	SWOWVSXKTOYFCR-ZDUSSCGKSA-N	0	0	316.365	2.115	10	5		DEBERN
O=C(NCC1CC(O)C1)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1	ZINC000091525475	193070148	/nfs/dbraw/zinc/07/01/48/193070148.db2.gz	ZIAGRDRXYMKDHI-UHFFFAOYSA-N	0	0	319.144	2.402	10	5		DEBERN
[NH3+][C@]1(C(=O)[O-])CCC[C@@H](Oc2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000093775136	193304961	/nfs/dbraw/zinc/30/49/61/193304961.db2.gz	ULPNJIYSAHTHDM-NOZJJQNGSA-N	0	0	314.725	2.352	10	5		DEBERN
CN[C@@]1(C(=O)OC)CC[C@H](Sc2ccccc2[N+](=O)[O-])C1	ZINC000093848730	193317713	/nfs/dbraw/zinc/31/77/13/193317713.db2.gz	FTEQMBIVZCFAIE-HZMBPMFUSA-N	0	0	310.375	2.371	10	5		DEBERN
COCCNc1nc(-c2c(F)ccc([N+](=O)[O-])c2F)ns1	ZINC000094187453	193348176	/nfs/dbraw/zinc/34/81/76/193348176.db2.gz	YGZBGWYXEKGROI-UHFFFAOYSA-N	0	0	316.289	2.450	10	5		DEBERN
C[C@@](N)(c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(F)(F)F	ZINC000094223336	193350868	/nfs/dbraw/zinc/35/08/68/193350868.db2.gz	LOFMJWGDRGCMCM-SNVBAGLBSA-N	0	0	302.212	2.381	10	5		DEBERN
CCCNc1cc(C)c(S(=O)(=O)N(C)CC)cc1[N+](=O)[O-]	ZINC000094780492	193397995	/nfs/dbraw/zinc/39/79/95/193397995.db2.gz	MBQAMBCDWBPFGQ-UHFFFAOYSA-N	0	0	315.395	2.366	10	5		DEBERN
CCS[C@@H]1CCCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1	ZINC000264956156	204300460	/nfs/dbraw/zinc/30/04/60/204300460.db2.gz	WNKFPHQTHNOQLV-LLVKDONJSA-N	0	0	324.406	2.201	10	5		DEBERN
COc1cc(N2CCC[C@@H](Cn3cncn3)C2)ccc1[N+](=O)[O-]	ZINC000266350023	205285470	/nfs/dbraw/zinc/28/54/70/205285470.db2.gz	JJOGQGYMNAXKJX-GFCCVEGCSA-N	0	0	317.349	2.112	10	5		DEBERN
Cc1nn(Cc2nnc(-c3ccccc3)n2C)c(C)c1[N+](=O)[O-]	ZINC000160923291	197451218	/nfs/dbraw/zinc/45/12/18/197451218.db2.gz	UVBNEKYMRIYDAW-UHFFFAOYSA-N	0	0	312.333	2.252	10	5		DEBERN
CCCCN1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O	ZINC000021450966	182274486	/nfs/dbraw/zinc/27/44/86/182274486.db2.gz	XRPOJSXGTYFJDN-LLVKDONJSA-N	0	0	305.334	2.182	10	5		DEBERN
COCCNc1ncnc(NCc2ccccc2)c1[N+](=O)[O-]	ZINC000040599410	183107961	/nfs/dbraw/zinc/10/79/61/183107961.db2.gz	MZTSPUVIZXTNNV-UHFFFAOYSA-N	0	0	303.322	2.055	10	5		DEBERN
CCN(CCO)c1ncnc(Nc2ccccc2F)c1[N+](=O)[O-]	ZINC000040614061	183108625	/nfs/dbraw/zinc/10/86/25/183108625.db2.gz	BEEBPRDWCBUHPB-UHFFFAOYSA-N	0	0	321.312	2.086	10	5		DEBERN
COCCN(c1ncc(Br)cc1[N+](=O)[O-])C1CC1	ZINC000042520171	183279647	/nfs/dbraw/zinc/27/96/47/183279647.db2.gz	CZQDBEOBXRBXQA-UHFFFAOYSA-N	0	0	316.155	2.368	10	5		DEBERN
C[NH2+][C@@](C)(CCCOc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000045462458	183510172	/nfs/dbraw/zinc/51/01/72/183510172.db2.gz	CNFBFODMAFSWRX-ZDUSSCGKSA-N	0	0	316.741	2.470	10	5		DEBERN
CC[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)C1	ZINC000159475393	197357276	/nfs/dbraw/zinc/35/72/76/197357276.db2.gz	HOPPDTYKQQWRRK-VIFPVBQESA-N	0	0	302.327	2.155	10	5		DEBERN
C[NH2+][C@@](C)(COc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000050440755	183786466	/nfs/dbraw/zinc/78/64/66/183786466.db2.gz	LTZWFFOMAXRLCG-NSHDSACASA-N	0	0	323.132	2.343	10	5		DEBERN
CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC	ZINC000050636261	183792770	/nfs/dbraw/zinc/79/27/70/183792770.db2.gz	NNSFOPNGNXLJLN-UHFFFAOYSA-N	0	0	301.368	2.105	10	5		DEBERN
Cc1nn(Cc2nc3sccc3c(N)n2)c(C)c1[N+](=O)[O-]	ZINC000050829276	183805381	/nfs/dbraw/zinc/80/53/81/183805381.db2.gz	KUPIKKAEARYFCK-UHFFFAOYSA-N	0	0	304.335	2.043	10	5		DEBERN
CCCN(CC)C(=O)c1cc(Cl)c(NN)c([N+](=O)[O-])c1	ZINC000051126561	183817409	/nfs/dbraw/zinc/81/74/09/183817409.db2.gz	IJCLAEYAZRPGJY-UHFFFAOYSA-N	0	0	300.746	2.406	10	5		DEBERN
CCCc1n[nH]c(C(=O)N[C@H]2COc3ccccc32)c1[N+](=O)[O-]	ZINC000109621018	194277635	/nfs/dbraw/zinc/27/76/35/194277635.db2.gz	UBIVRTRDYASQLG-NSHDSACASA-N	0	0	316.317	2.134	10	5		DEBERN
CCCN(CC(=O)OC)c1cc(OC)c(F)cc1[N+](=O)[O-]	ZINC000110626017	194343831	/nfs/dbraw/zinc/34/38/31/194343831.db2.gz	MFVHWSXHYMEYDJ-UHFFFAOYSA-N	0	0	300.286	2.132	10	5		DEBERN
COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2COc3ccccc32)c1	ZINC000058727760	184127068	/nfs/dbraw/zinc/12/70/68/184127068.db2.gz	LFIDOVDMNVOCTI-ZDUSSCGKSA-N	0	0	314.297	2.467	10	5		DEBERN
CCOC(=O)[C@@H](CCOc1ccc([N+](=O)[O-])cc1Cl)NC	ZINC000062539693	184241706	/nfs/dbraw/zinc/24/17/06/184241706.db2.gz	MEZCRNAQVBDKCA-LLVKDONJSA-N	0	0	316.741	2.168	10	5		DEBERN
O=[N+]([O-])c1c(Cl)ncnc1N[C@H](CO)Cc1ccccc1	ZINC000063221261	184279518	/nfs/dbraw/zinc/27/95/18/184279518.db2.gz	GTDUVHRJCNSJTD-JTQLQIEISA-N	0	0	308.725	2.054	10	5		DEBERN
CC[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC000066000291	184384083	/nfs/dbraw/zinc/38/40/83/184384083.db2.gz	CCERAORZGKGMEY-SECBINFHSA-N	0	0	304.393	2.467	10	5		DEBERN
CCOC(=O)c1c(C)nc(N)nc1-c1cccc([N+](=O)[O-])c1	ZINC000066134299	184391664	/nfs/dbraw/zinc/39/16/64/184391664.db2.gz	YAYXRSHZFPOFFP-UHFFFAOYSA-N	0	0	302.290	2.119	10	5		DEBERN
C[NH2+][C@@](COc1cc([N+](=O)[O-])ccc1Cl)(C(=O)[O-])C1CC1	ZINC000069508100	184520995	/nfs/dbraw/zinc/52/09/95/184520995.db2.gz	HCSQSVKLFQWMJC-CYBMUJFWSA-N	0	0	314.725	2.080	10	5		DEBERN
O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1F	ZINC000005179718	285011446	/nfs/dbraw/zinc/01/14/46/285011446.db2.gz	UAXMVZYRDNGNMX-XXHBBNRNSA-N	0	0	304.277	2.269	10	5		DEBERN
O=[N+]([O-])c1cc(F)c(Br)cc1N1CCC(O)CC1	ZINC000158788963	197302138	/nfs/dbraw/zinc/30/21/38/197302138.db2.gz	XBRJQNNMFYTQEW-UHFFFAOYSA-N	0	0	319.130	2.458	10	5		DEBERN
CC1(C)C[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1	ZINC000157424097	197185843	/nfs/dbraw/zinc/18/58/43/197185843.db2.gz	QRASTPHHTWXRNC-ZCFIWIBFSA-N	0	0	310.784	2.387	10	5		DEBERN
O=[N+]([O-])c1cnc2ccc(N3CCC[C@@]4(CCSC4)C3)nn21	ZINC000450898331	285185465	/nfs/dbraw/zinc/18/54/65/285185465.db2.gz	BVTXRMDNUAECHN-CQSZACIVSA-N	0	0	319.390	2.361	10	5		DEBERN
COc1cnccc1[C@H](C)NC(=O)c1ccccc1[N+](=O)[O-]	ZINC000189620288	533148764	/nfs/dbraw/zinc/14/87/64/533148764.db2.gz	OSYAZRHBUUNSKO-JTQLQIEISA-N	0	0	301.302	2.489	10	5		DEBERN
COC[C@](C)(NC(=O)Cc1ccc([N+](=O)[O-])cc1)C(F)(F)F	ZINC000362204540	133216739	/nfs/dbraw/zinc/21/67/39/133216739.db2.gz	OOGMOKVHECFOQR-LBPRGKRZSA-N	0	0	320.267	2.221	10	5		DEBERN
O=C(NCCc1cccc2ccccc21)c1c[nH]nc1[N+](=O)[O-]	ZINC000548419817	285735747	/nfs/dbraw/zinc/73/57/47/285735747.db2.gz	UTZSMJNLYYOJMY-UHFFFAOYSA-N	0	0	310.313	2.444	10	5		DEBERN
Cc1nc(CN(C)C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)no1	ZINC000564031736	292083556	/nfs/dbraw/zinc/08/35/56/292083556.db2.gz	XMKRJLFCMYKHRA-SECBINFHSA-N	0	0	304.306	2.048	10	5		DEBERN
CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2C1	ZINC000245627681	285734039	/nfs/dbraw/zinc/73/40/39/285734039.db2.gz	CSGJZNNKQUMKQF-ILXRZTDVSA-N	0	0	320.345	2.003	10	5		DEBERN
NC(=O)c1cc([N+](=O)[O-])cnc1NCc1ccc2ncccc2c1	ZINC000193005671	145081005	/nfs/dbraw/zinc/08/10/05/145081005.db2.gz	FAXYOBFCIZOOJP-UHFFFAOYSA-N	0	0	323.312	2.249	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1CN1CC(=O)N[C@H]2CCCC[C@H]21	ZINC000248646520	145162666	/nfs/dbraw/zinc/16/26/66/145162666.db2.gz	SQHHDOWCNIANMV-LSDHHAIUSA-N	0	0	303.362	2.146	10	5		DEBERN
CC(C)c1ccc(C(=O)NC[C@@H](CO)C2CC2)cc1[N+](=O)[O-]	ZINC000358301620	147108967	/nfs/dbraw/zinc/10/89/67/147108967.db2.gz	GZSGYVHHLYNRQH-ZDUSSCGKSA-N	0	0	306.362	2.467	10	5		DEBERN
Cc1c(CNC(=O)Cn2ccc([N+](=O)[O-])n2)oc2ccccc12	ZINC000359485660	147335834	/nfs/dbraw/zinc/33/58/34/147335834.db2.gz	AUABBQWFCGYPRT-UHFFFAOYSA-N	0	0	314.301	2.162	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(CC(=O)c2cc(F)ccc2F)c1=O	ZINC000127212251	401724591	/nfs/dbraw/zinc/72/45/91/401724591.db2.gz	VUKMMCDRPYBUQY-UHFFFAOYSA-N	0	0	308.240	2.226	10	5		DEBERN
CCOC(=O)CCCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000129904019	401811301	/nfs/dbraw/zinc/81/13/01/401811301.db2.gz	GQEKOJHUSWWPES-UHFFFAOYSA-N	0	0	319.317	2.149	10	5		DEBERN
Cc1sc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1[N+](=O)[O-]	ZINC000116113823	401841920	/nfs/dbraw/zinc/84/19/20/401841920.db2.gz	YIPJXFDYLSMQFQ-JTQLQIEISA-N	0	0	320.374	2.328	10	5		DEBERN
Cc1cc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)cc([N+](=O)[O-])c1	ZINC000116120521	401843025	/nfs/dbraw/zinc/84/30/25/401843025.db2.gz	UXKNNFKLXMPODD-LBPRGKRZSA-N	0	0	314.345	2.266	10	5		DEBERN
Cc1cnn(CCNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000118007082	401889373	/nfs/dbraw/zinc/88/93/73/401889373.db2.gz	CRJINXHGHFLFNU-UHFFFAOYSA-N	0	0	303.322	2.230	10	5		DEBERN
CCOC(=O)CC[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000089804391	401964598	/nfs/dbraw/zinc/96/45/98/401964598.db2.gz	IPQYXLXPJMOTRL-QMMMGPOBSA-N	0	0	314.363	2.426	10	5		DEBERN
COC(=O)c1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000046556017	401970750	/nfs/dbraw/zinc/97/07/50/401970750.db2.gz	XYZGJMYBGHVATP-UHFFFAOYSA-N	0	0	314.297	2.311	10	5		DEBERN
O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@H]2OCCC[C@@H]2C1	ZINC000121112439	402015683	/nfs/dbraw/zinc/01/56/83/402015683.db2.gz	FFIGTZQVNPZPRP-QMTHXVAHSA-N	0	0	308.309	2.375	10	5		DEBERN
COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000055458083	402082535	/nfs/dbraw/zinc/08/25/35/402082535.db2.gz	MHFUWOYXDMECDA-VWYCJHECSA-N	0	0	322.317	2.134	10	5		DEBERN
O=[N+]([O-])c1cc(CN2CCN(Cc3ccncc3)CC2)cs1	ZINC000153129396	402128479	/nfs/dbraw/zinc/12/84/79/402128479.db2.gz	LWWLYDQAHHUSEX-UHFFFAOYSA-N	0	0	318.402	2.369	10	5		DEBERN
CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2C)C1	ZINC000066290342	402129911	/nfs/dbraw/zinc/12/99/11/402129911.db2.gz	ZQRORUSQVOGMHU-GFCCVEGCSA-N	0	0	320.345	2.319	10	5		DEBERN
CC(C)CC(=O)N1CCC(Cn2cccc([N+](=O)[O-])c2=O)CC1	ZINC000184993538	402315615	/nfs/dbraw/zinc/31/56/15/402315615.db2.gz	OJQTVCOQMMYGPE-UHFFFAOYSA-N	0	0	321.377	2.041	10	5		DEBERN
CCOCCC1(CNC(=O)c2cc([N+](=O)[O-])cnc2C)CC1	ZINC000159212469	402318852	/nfs/dbraw/zinc/31/88/52/402318852.db2.gz	JOMMGYSVFUAHNH-UHFFFAOYSA-N	0	0	307.350	2.235	10	5		DEBERN
Cc1c(F)cc(S(=O)(=O)NCC2CCC2)cc1[N+](=O)[O-]	ZINC000186268332	402416424	/nfs/dbraw/zinc/41/64/24/402416424.db2.gz	QPPHNZPBASLSHM-UHFFFAOYSA-N	0	0	302.327	2.121	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCS[C@@H]2COCC[C@@H]21	ZINC000162519769	402422516	/nfs/dbraw/zinc/42/25/16/402422516.db2.gz	YASLQZICUGZIQO-UONOGXRCSA-N	0	0	322.386	2.250	10	5		DEBERN
COC(=O)[C@@]1(C)CCCN1CCCOc1ccc([N+](=O)[O-])cc1	ZINC000186394952	402428153	/nfs/dbraw/zinc/42/81/53/402428153.db2.gz	PDAFJPFZNLFRRS-MRXNPFEDSA-N	0	0	322.361	2.391	10	5		DEBERN
Cc1cc(N2CCN(Cc3cccc([N+](=O)[O-])c3C)CC2)n[nH]1	ZINC000187186088	402487198	/nfs/dbraw/zinc/48/71/98/402487198.db2.gz	ODPQPYHIWZGEIU-UHFFFAOYSA-N	0	0	315.377	2.257	10	5		DEBERN
COC(=O)c1cncc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1	ZINC000178388284	402493059	/nfs/dbraw/zinc/49/30/59/402493059.db2.gz	GLLKRXIVFBADSY-UHFFFAOYSA-N	0	0	315.285	2.337	10	5		DEBERN
COc1cc(C(=O)NC[C@H]2CCC(C)(C)O2)ccc1[N+](=O)[O-]	ZINC000187356757	402495944	/nfs/dbraw/zinc/49/59/44/402495944.db2.gz	KLUPXOGXOBHLAJ-LLVKDONJSA-N	0	0	308.334	2.291	10	5		DEBERN
Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCc2nnc(C(C)C)n2C1	ZINC000170981948	402547159	/nfs/dbraw/zinc/54/71/59/402547159.db2.gz	CPCPFDDJNMYNOS-NSHDSACASA-N	0	0	316.365	2.440	10	5		DEBERN
COc1ccc(F)cc1CNC(=O)c1cc([N+](=O)[O-])cnc1C	ZINC000189372452	402535618	/nfs/dbraw/zinc/53/56/18/402535618.db2.gz	TWQLGUQTGFGWEG-UHFFFAOYSA-N	0	0	319.292	2.376	10	5		DEBERN
NC(=O)c1coc(CNCc2ccc([N+](=O)[O-])cc2Cl)c1	ZINC000189398913	402536059	/nfs/dbraw/zinc/53/60/59/402536059.db2.gz	RUGPCNNAZHDZPX-UHFFFAOYSA-N	0	0	309.709	2.230	10	5		DEBERN
Cn1cc([C@@H]2CCCN2C(=O)c2csc([N+](=O)[O-])c2)cn1	ZINC000171349478	402579880	/nfs/dbraw/zinc/57/98/80/402579880.db2.gz	PIQJSHZGFONAKI-NSHDSACASA-N	0	0	306.347	2.367	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)n1	ZINC000248672765	402602771	/nfs/dbraw/zinc/60/27/71/402602771.db2.gz	RJSVGTNVZNXJSX-SDDRHHMPSA-N	0	0	306.366	2.462	10	5		DEBERN
Cc1ccc2c(n1)OCCN2C(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000180486230	402618195	/nfs/dbraw/zinc/61/81/95/402618195.db2.gz	WXCQWIRUGVGWNL-UHFFFAOYSA-N	0	0	313.313	2.266	10	5		DEBERN
CO[C@@H]1C[C@@H](c2nc(C)no2)N(Cc2csc([N+](=O)[O-])c2)C1	ZINC000190104907	402576141	/nfs/dbraw/zinc/57/61/41/402576141.db2.gz	HAXCNEUORURRRW-MNOVXSKESA-N	0	0	324.362	2.310	10	5		DEBERN
O=C(Cc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1c1nc[nH]n1	ZINC000181184499	402637364	/nfs/dbraw/zinc/63/73/64/402637364.db2.gz	HJPFCTDJDDAMLN-ZDUSSCGKSA-N	0	0	315.333	2.009	10	5		DEBERN
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@@]2(CC=CCC2)C1	ZINC000172234308	402646103	/nfs/dbraw/zinc/64/61/03/402646103.db2.gz	IHTVHEAFKAAAAL-HNNXBMFYSA-N	0	0	304.350	2.140	10	5		DEBERN
COc1ccc(S(=O)(=O)NC[C@@H](C)C(C)C)cc1[N+](=O)[O-]	ZINC000172666424	402669229	/nfs/dbraw/zinc/66/92/29/402669229.db2.gz	UKBDWEYYNKXARU-SNVBAGLBSA-N	0	0	316.379	2.174	10	5		DEBERN
CCn1cc([C@@H]2CN(Cc3cccc([N+](=O)[O-])c3)CCO2)cn1	ZINC000191704346	402687283	/nfs/dbraw/zinc/68/72/83/402687283.db2.gz	KRFDTZXWCUXKER-INIZCTEOSA-N	0	0	316.361	2.385	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1CN(C1CC1)[C@H]1CCS(=O)(=O)C1	ZINC000183269168	402751700	/nfs/dbraw/zinc/75/17/00/402751700.db2.gz	CJBGRVQLWJJMTQ-HNNXBMFYSA-N	0	0	324.402	2.055	10	5		DEBERN
C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2cnn(C)c2)CC1	ZINC000174925722	402763702	/nfs/dbraw/zinc/76/37/02/402763702.db2.gz	NIRYVPPPLOEODH-ZDUSSCGKSA-N	0	0	315.377	2.212	10	5		DEBERN
CC(C)CC[C@@](C)(O)CNC(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000175054678	402775088	/nfs/dbraw/zinc/77/50/88/402775088.db2.gz	YQCZALZOUUPKBQ-MRXNPFEDSA-N	0	0	308.378	2.441	10	5		DEBERN
O=C(Nc1ccncc1[N+](=O)[O-])N1CCC(c2cc[nH]n2)CC1	ZINC000183568318	402776696	/nfs/dbraw/zinc/77/66/96/402776696.db2.gz	ZGKRUPRULODLLT-UHFFFAOYSA-N	0	0	316.321	2.124	10	5		DEBERN
Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1c1cn[nH]c1	ZINC000184406632	402841472	/nfs/dbraw/zinc/84/14/72/402841472.db2.gz	WIQBJNWLPAMXNM-AWEZNQCLSA-N	0	0	315.333	2.268	10	5		DEBERN
CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2C)CCN1CC(F)F	ZINC000270800626	403226136	/nfs/dbraw/zinc/22/61/36/403226136.db2.gz	NMHAPBDXJBGHGH-NSHDSACASA-N	0	0	314.336	2.464	10	5		DEBERN
CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@](O)(C(F)(F)F)C1	ZINC000287395085	403590178	/nfs/dbraw/zinc/59/01/78/403590178.db2.gz	RXRBJUBCNOFCQK-LBPRGKRZSA-N	0	0	318.251	2.301	10	5		DEBERN
Cc1csc(CN(C)c2ccc([N+](=O)[O-])cc2C(N)=O)n1	ZINC000301306583	403613748	/nfs/dbraw/zinc/61/37/48/403613748.db2.gz	YYLYGUQOCBRTLG-UHFFFAOYSA-N	0	0	306.347	2.095	10	5		DEBERN
O=[N+]([O-])c1ccc(NC[C@@H](CO)Cc2ccccn2)c(F)c1	ZINC000301529562	403642029	/nfs/dbraw/zinc/64/20/29/403642029.db2.gz	HEGCYFLUYUOHNL-NSHDSACASA-N	0	0	305.309	2.392	10	5		DEBERN
CO[C@H]1CCC[C@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1	ZINC000301766429	403675931	/nfs/dbraw/zinc/67/59/31/403675931.db2.gz	IBOQRPMWEGPCPO-UWVGGRQHSA-N	0	0	321.333	2.295	10	5		DEBERN
Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCN2CCOC[C@H]2C1	ZINC000373095195	404528282	/nfs/dbraw/zinc/52/82/82/404528282.db2.gz	OQJXKCGTANFMIE-GFCCVEGCSA-N	0	0	311.769	2.077	10	5		DEBERN
CC(=O)N(C)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])[nH]1	ZINC000345083519	404537536	/nfs/dbraw/zinc/53/75/36/404537536.db2.gz	GJZFVDYCLBFQGD-UHFFFAOYSA-N	0	0	302.290	2.158	10	5		DEBERN
CO[C@]1(C)CCCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1	ZINC000377214120	404834501	/nfs/dbraw/zinc/83/45/01/404834501.db2.gz	KWWKRZUVETUIOV-CQSZACIVSA-N	0	0	305.338	2.033	10	5		DEBERN
COC(=O)c1cc(C)nc(N2CC[C@@H](C3CC3)C2)c1[N+](=O)[O-]	ZINC000367433699	405047791	/nfs/dbraw/zinc/04/77/91/405047791.db2.gz	ABYNPZKHGYAACW-LLVKDONJSA-N	0	0	305.334	2.321	10	5		DEBERN
C/C=C\C[C@@H](CO)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000354218259	405105201	/nfs/dbraw/zinc/10/52/01/405105201.db2.gz	TWFUHDWZQYZGJO-ZMWSMAPVSA-N	0	0	303.318	2.133	10	5		DEBERN
Cc1cc(N(CC2CC2)C[C@@H]2CN(C)CCO2)ccc1[N+](=O)[O-]	ZINC000558920092	405707832	/nfs/dbraw/zinc/70/78/32/405707832.db2.gz	RSRRQJMOKWHLHT-INIZCTEOSA-N	0	0	319.405	2.450	10	5		DEBERN
COC(=O)Cc1cc(OC)c([N+](=O)[O-])cc1Br	ZINC000575713137	406822172	/nfs/dbraw/zinc/82/21/72/406822172.db2.gz	WNUYWEPUOQHSEA-UHFFFAOYSA-N	0	0	304.096	2.081	10	5		DEBERN
CC(C)c1nn(C)c(N[C@H](C)CC[S@](C)=O)c1[N+](=O)[O-]	ZINC000128756734	195988338	/nfs/dbraw/zinc/98/83/38/195988338.db2.gz	MOKZKGKKNRWOJF-GSDQLPOLSA-N	0	0	302.400	2.021	10	5		DEBERN
CC[C@@H](CSC)N(C)C(=O)c1ccc(NN)c([N+](=O)[O-])c1	ZINC000129758874	196073861	/nfs/dbraw/zinc/07/38/61/196073861.db2.gz	GUKKPCFUPKOKEI-JTQLQIEISA-N	0	0	312.395	2.094	10	5		DEBERN
C[C@@H](C1CC1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000129863106	196081219	/nfs/dbraw/zinc/08/12/19/196081219.db2.gz	HFBWLYADZMESQT-QMMMGPOBSA-N	0	0	302.327	2.153	10	5		DEBERN
Cc1ccnc(N[C@H](C)c2nnc3n2CCCC3)c1[N+](=O)[O-]	ZINC000131074684	196138038	/nfs/dbraw/zinc/13/80/38/196138038.db2.gz	RMQOWOFFLPCTSL-SNVBAGLBSA-N	0	0	302.338	2.399	10	5		DEBERN
CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1)C(C)C	ZINC000131200731	196149573	/nfs/dbraw/zinc/14/95/73/196149573.db2.gz	LDQPCBSWKXEMQI-NSHDSACASA-N	0	0	304.343	2.447	10	5		DEBERN
C[C@H]1C[C@@H]1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131228227	196151303	/nfs/dbraw/zinc/15/13/03/196151303.db2.gz	MCKRQCZUBAGFGV-DTWKUNHWSA-N	0	0	302.327	2.010	10	5		DEBERN
CCC[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(NC)c1	ZINC000131514022	196175911	/nfs/dbraw/zinc/17/59/11/196175911.db2.gz	VQJRUURMYHQLPC-SECBINFHSA-N	0	0	301.368	2.103	10	5		DEBERN
CC[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1	ZINC000131878796	196206163	/nfs/dbraw/zinc/20/61/63/196206163.db2.gz	SVLLZJLYLGGNNT-SNVBAGLBSA-N	0	0	313.379	2.130	10	5		DEBERN
C[C@H]1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2F)C1	ZINC000131937762	196212006	/nfs/dbraw/zinc/21/20/06/196212006.db2.gz	BSIXKWOROAFNNX-DTWKUNHWSA-N	0	0	302.327	2.201	10	5		DEBERN
C[C@@H](CO)[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000133768102	196335993	/nfs/dbraw/zinc/33/59/93/196335993.db2.gz	OTWICKPZQIOIKH-YUMQZZPRSA-N	0	0	301.730	2.387	10	5		DEBERN
O=C(c1ccccc1[N+](=O)[O-])N1CC[C@H](Oc2cccnc2)C1	ZINC000135700190	196499700	/nfs/dbraw/zinc/49/97/00/196499700.db2.gz	DASKMFNHEFKSLP-ZDUSSCGKSA-N	0	0	313.313	2.283	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(OC)ccc2OC)n1	ZINC000191453197	225109638	/nfs/dbraw/zinc/10/96/38/225109638.db2.gz	XGBPSIGCQQAAJH-UHFFFAOYSA-N	0	0	320.305	2.081	10	5		DEBERN
O=C1COc2cc([N+](=O)[O-])c(NCCc3cscn3)cc2N1	ZINC000301180806	229548148	/nfs/dbraw/zinc/54/81/48/229548148.db2.gz	AVOFFFNRYVLZTQ-UHFFFAOYSA-N	0	0	320.330	2.037	10	5		DEBERN
CC1(C)CC[C@H](CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)O1	ZINC000580838134	424970259	/nfs/dbraw/zinc/97/02/59/424970259.db2.gz	WDLUTBUMRFUTIW-SNVBAGLBSA-N	0	0	318.333	2.613	10	5		DEBERN
O=[N+]([O-])c1ccc(NCc2ccn(Cc3ccccc3)n2)nc1	ZINC000343143029	424973739	/nfs/dbraw/zinc/97/37/39/424973739.db2.gz	PANAQSLOIKEFBN-UHFFFAOYSA-N	0	0	309.329	2.847	10	5		DEBERN
CN1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)Cc2ccccc21	ZINC000371335700	273900117	/nfs/dbraw/zinc/90/01/17/273900117.db2.gz	MXLCJCBLNRWAHL-UHFFFAOYSA-N	0	0	324.344	2.094	10	5		DEBERN
CCN1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1=O	ZINC000302726871	276238205	/nfs/dbraw/zinc/23/82/05/276238205.db2.gz	OEJQGFRWCLYJDY-UHFFFAOYSA-N	0	0	312.329	2.283	10	5		DEBERN
C[C@@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC[S@@]1=O	ZINC000291779160	278556899	/nfs/dbraw/zinc/55/68/99/278556899.db2.gz	CJMVANGAHWNMEV-RKFFSXRUSA-N	0	0	319.386	2.490	10	5		DEBERN
C[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[C@H](C)[C@@H](C)O1	ZINC000408103709	278811308	/nfs/dbraw/zinc/81/13/08/278811308.db2.gz	BMWBYTRBNOWSEJ-OPRDCNLKSA-N	0	0	318.333	2.246	10	5		DEBERN
CN(C)C(=O)[C@H]1CCCN1Cc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000174813450	289021360	/nfs/dbraw/zinc/02/13/60/289021360.db2.gz	LJIXDCJUKQVDPY-CYBMUJFWSA-N	0	0	311.769	2.301	10	5		DEBERN
Cc1csc([C@H]2COCCN2c2ncc([N+](=O)[O-])s2)n1	ZINC000192541397	293065843	/nfs/dbraw/zinc/06/58/43/293065843.db2.gz	AFLCIWXHIHMXFY-MRVPVSSYSA-N	0	0	312.376	2.394	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCS(=O)(=O)[C@@H](C)C1	ZINC000245529083	301866620	/nfs/dbraw/zinc/86/66/20/301866620.db2.gz	QXNNVVKQQATNNO-NWDGAFQWSA-N	0	0	312.391	2.083	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)COCC2	ZINC000171020390	302705779	/nfs/dbraw/zinc/70/57/79/302705779.db2.gz	KYTKJNMGXYMASB-UHFFFAOYSA-N	0	0	320.330	2.080	10	5		DEBERN
CNC(=O)Cc1nc(COc2ccc([N+](=O)[O-])cc2C)cs1	ZINC000131539099	500781157	/nfs/dbraw/zinc/78/11/57/500781157.db2.gz	RVWLQSLESZFGLS-UHFFFAOYSA-N	0	0	321.358	2.227	10	5		DEBERN
CCOC(=O)c1cc(NCCn2cc(C)cn2)ccc1[N+](=O)[O-]	ZINC000125701620	521443848	/nfs/dbraw/zinc/44/38/48/521443848.db2.gz	PSRCCBIQMTWLKN-UHFFFAOYSA-N	0	0	318.333	2.389	10	5		DEBERN
CN(C[C@@H]1CCCO1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1	ZINC000170691671	523055535	/nfs/dbraw/zinc/05/55/35/523055535.db2.gz	XWBHKRHYGYREBC-ZDUSSCGKSA-N	0	0	319.361	2.420	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1[C@H](C)C[C@@H](O)C[C@@H]1C	ZINC000248863359	526077783	/nfs/dbraw/zinc/07/77/83/526077783.db2.gz	XYULHWPJMNNUIV-DABQJJPHSA-N	0	0	321.377	2.075	10	5		DEBERN
CCCC(=O)N[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000299674938	527952441	/nfs/dbraw/zinc/95/24/41/527952441.db2.gz	NVYXZNDITALCLV-ZDUSSCGKSA-N	0	0	319.361	2.116	10	5		DEBERN
CCOC(=O)[C@H]1CC[C@H](Nc2cc(CO)ccc2[N+](=O)[O-])C1	ZINC000302053461	528074989	/nfs/dbraw/zinc/07/49/89/528074989.db2.gz	PTCBRQVOQFLKAM-RYUDHWBXSA-N	0	0	308.334	2.231	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2COC)n1	ZINC000191537803	529154475	/nfs/dbraw/zinc/15/44/75/529154475.db2.gz	GHRAMKZLNUOONZ-UHFFFAOYSA-N	0	0	304.306	2.210	10	5		DEBERN
COC(=O)c1cc(NCc2ccnc(C)n2)c(C)c([N+](=O)[O-])c1	ZINC000359598584	536567971	/nfs/dbraw/zinc/56/79/71/536567971.db2.gz	MRPMEFWUNAFFTM-UHFFFAOYSA-N	0	0	316.317	2.400	10	5		DEBERN
CN1CCO[C@H](CNc2cc(Cl)c(F)cc2[N+](=O)[O-])C1	ZINC000234326433	624203417	/nfs/dbraw/zinc/20/34/17/624203417.db2.gz	VHNJDRVTUROXFW-MRVPVSSYSA-N	0	0	303.721	2.130	10	5		DEBERN
CC[C@H](CC1CCCC1)C(=O)OCCn1cnc([N+](=O)[O-])n1	ZINC000176687053	624911020	/nfs/dbraw/zinc/91/10/20/624911020.db2.gz	SBESTBFXTCOTLN-GFCCVEGCSA-N	0	0	310.354	2.336	10	5		DEBERN
CC(=O)N1CSC[C@H]1C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1	ZINC000728167785	639046002	/nfs/dbraw/zinc/04/60/02/639046002.db2.gz	ULFPYVRGNJVZEY-RNCFNFMXSA-N	0	0	324.358	2.120	10	5		DEBERN
C/C(=C\C(=O)OCC(=O)NCC1CC1)c1ccc([N+](=O)[O-])cc1	ZINC000752350834	639174456	/nfs/dbraw/zinc/17/44/56/639174456.db2.gz	PFZTWVKUDQTOKA-DHZHZOJOSA-N	0	0	318.329	2.068	10	5		DEBERN
C/C(=C/C(=O)NC[C@](C)(O)C1CC1)c1ccc([N+](=O)[O-])cc1	ZINC000752494101	639190924	/nfs/dbraw/zinc/19/09/24/639190924.db2.gz	GBCNOBOEJYXXMM-SLWQEBJJSA-N	0	0	304.346	2.275	10	5		DEBERN
COC(=O)/C(C)=C/COC(=O)c1cc(F)cc(C)c1[N+](=O)[O-]	ZINC000752556667	639196984	/nfs/dbraw/zinc/19/69/84/639196984.db2.gz	CEQJCJSCVZBUGU-XBXARRHUSA-N	0	0	311.265	2.318	10	5		DEBERN
C/C(=C\C(=O)N(CCCO)C1CC1)c1ccc([N+](=O)[O-])cc1	ZINC000752709588	639210850	/nfs/dbraw/zinc/21/08/50/639210850.db2.gz	ZQYIASWXDLGFDY-VAWYXSNFSA-N	0	0	304.346	2.372	10	5		DEBERN
O=C(c1csc([N+](=O)[O-])c1)N1CCCc2cc[nH]c(=O)c21	ZINC000752928265	639236997	/nfs/dbraw/zinc/23/69/97/639236997.db2.gz	DEYCDFFWRWJUHT-UHFFFAOYSA-N	0	0	305.315	2.350	10	5		DEBERN
CC(=O)CCC(=O)O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1	ZINC000800398092	645266947	/nfs/dbraw/zinc/26/69/47/645266947.db2.gz	COJAGKHMJDQNAK-VXGBXAGGSA-N	0	0	309.322	2.187	10	5		DEBERN
Cc1nn(C)c(C)c1OC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000800436625	645272205	/nfs/dbraw/zinc/27/22/05/645272205.db2.gz	IMBLATFSBYRDCA-UHFFFAOYSA-N	0	0	315.289	2.041	10	5		DEBERN
C/C(=C/C(=O)N1CCOCC12CC2)c1ccc([N+](=O)[O-])cc1	ZINC000801745192	645436785	/nfs/dbraw/zinc/43/67/85/645436785.db2.gz	XUSVKVLAKXJYEK-BENRWUELSA-N	0	0	302.330	2.390	10	5		DEBERN
CCO[C@H]1C[C@H](OC(=O)Cn2cc([N+](=O)[O-])cn2)C12CCCC2	ZINC000172672611	646747188	/nfs/dbraw/zinc/74/71/88/646747188.db2.gz	IITMFFNBECKGCH-STQMWFEESA-N	0	0	323.349	2.072	10	5		DEBERN
CO[C@@H]1CCC[C@@H](OC(=O)COc2ccccc2[N+](=O)[O-])C1	ZINC000073071056	649601483	/nfs/dbraw/zinc/60/14/83/649601483.db2.gz	MSWOSFXTICOFPR-VXGBXAGGSA-N	0	0	309.318	2.474	10	5		DEBERN
CCOC(=O)CC[C@@H](C)NC(=O)c1cc(F)ccc1[N+](=O)[O-]	ZINC000089881477	684027642	/nfs/dbraw/zinc/02/76/42/684027642.db2.gz	BOKULSHOKKSCFD-SECBINFHSA-N	0	0	312.297	2.196	10	5		DEBERN
O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCO[C@H](C(F)F)C1	ZINC000588620201	777634688	/nfs/dbraw/zinc/63/46/88/777634688.db2.gz	XQGBFNXOCSQQKL-RYBZSIHZSA-N	0	0	312.272	2.101	10	5		DEBERN
COC[C@@H](Cn1cc(Br)c([N+](=O)[O-])n1)C(C)C	ZINC000721716247	778401817	/nfs/dbraw/zinc/40/18/17/778401817.db2.gz	KIADAYPOWIIESP-MRVPVSSYSA-N	0	0	306.160	2.472	10	5		DEBERN
Cc1cc(CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)on1	ZINC000050709954	1078476312	/nfs/dbraw/zinc/47/63/12/1078476312.db2.gz	XKYLVWGBCBRCII-UHFFFAOYSA-N	0	0	310.697	2.057	10	5		DEBERN
COC[C@@H](COc1cc(Br)ccc1[N+](=O)[O-])OC	ZINC000703812193	1086554961	/nfs/dbraw/zinc/55/49/61/1086554961.db2.gz	HISKNMRGILACOP-VIFPVBQESA-N	0	0	320.139	2.398	10	5		DEBERN
C[C@@H]1[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ncc1Br	ZINC000706931747	1086655830	/nfs/dbraw/zinc/65/58/30/1086655830.db2.gz	XLHUEDBVPZLNSE-NKWVEPMBSA-N	0	0	314.139	2.233	10	5		DEBERN
Cc1noc([C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C(C)C)n1	ZINC000173020992	1089228510	/nfs/dbraw/zinc/22/85/10/1089228510.db2.gz	RFLSDIQQFRJUOG-CQSZACIVSA-N	0	0	318.333	2.342	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1Cn1c(C)nc(Cl)cc1=O	ZINC000164679201	197661057	/nfs/dbraw/zinc/66/10/57/197661057.db2.gz	WDYFECQSBHPBGQ-UHFFFAOYSA-N	0	0	309.709	2.170	10	5		DEBERN
CCOC(=O)CCCNC(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000079138553	185159923	/nfs/dbraw/zinc/15/99/23/185159923.db2.gz	KIOYZGOLXHBNAR-UHFFFAOYSA-N	0	0	300.336	2.038	10	5		DEBERN
CSCCCNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000083407458	185222160	/nfs/dbraw/zinc/22/21/60/185222160.db2.gz	UNHKWXKCJJUMKF-UHFFFAOYSA-N	0	0	324.811	2.280	10	5		DEBERN
CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000088196567	185241482	/nfs/dbraw/zinc/24/14/82/185241482.db2.gz	ACUWGQKYURWCRA-LBPRGKRZSA-N	0	0	315.333	2.014	10	5		DEBERN
O=C(NCC1(O)CCCCC1)c1ccnc(Cl)c1[N+](=O)[O-]	ZINC000088806520	185266233	/nfs/dbraw/zinc/26/62/33/185266233.db2.gz	CVBQJOOTDXZHSK-UHFFFAOYSA-N	0	0	313.741	2.068	10	5		DEBERN
CCC[C@H](N[C@@H]1C=CS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1	ZINC000088854535	185267002	/nfs/dbraw/zinc/26/70/02/185267002.db2.gz	IWCWTBDZKYJQMG-OCCSQVGLSA-N	0	0	310.375	2.336	10	5		DEBERN
CCCN(C)S(=O)(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1	ZINC000090222039	185287099	/nfs/dbraw/zinc/28/70/99/185287099.db2.gz	BMNJDENILVDLFY-ZDUSSCGKSA-N	0	0	315.395	2.222	10	5		DEBERN
COC(=O)C[C@@H](C[N+](=O)[O-])c1cccc(Br)c1	ZINC000090513903	185300101	/nfs/dbraw/zinc/30/01/01/185300101.db2.gz	FMUKDEUMOKZMJG-VIFPVBQESA-N	0	0	302.124	2.373	10	5		DEBERN
O=C(NC1CC1)c1ccc(NCC2(CCO)CC2)c([N+](=O)[O-])c1	ZINC000186163147	282269146	/nfs/dbraw/zinc/26/91/46/282269146.db2.gz	RICZOVGXOVNFIF-UHFFFAOYSA-N	0	0	319.361	2.062	10	5		DEBERN
CN(CCCO)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	ZINC000441768113	529893002	/nfs/dbraw/zinc/89/30/02/529893002.db2.gz	TVTJMWFHPPKQIS-UHFFFAOYSA-N	0	0	321.255	2.460	10	5		DEBERN
COc1ccc(OCCOc2cc(C)n(C)n2)c([N+](=O)[O-])c1	ZINC000181672257	199336554	/nfs/dbraw/zinc/33/65/54/199336554.db2.gz	KRZVWUBBLUXOEQ-UHFFFAOYSA-N	0	0	307.306	2.103	10	5		DEBERN
NC(=O)c1coc(CNC/C=C/c2ccccc2[N+](=O)[O-])c1	ZINC000189404647	282308726	/nfs/dbraw/zinc/30/87/26/282308726.db2.gz	BFTFVNUCPWTMOS-HWKANZROSA-N	0	0	301.302	2.090	10	5		DEBERN
CC(C)[C@H](C)NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000022881013	534967493	/nfs/dbraw/zinc/96/74/93/534967493.db2.gz	PRXHWIHPDKLFDW-ZDUSSCGKSA-N	0	0	320.393	2.471	10	5		DEBERN
CN(C)c1nnc(SCc2ccc(N)c([N+](=O)[O-])c2)s1	ZINC000111317080	185581240	/nfs/dbraw/zinc/58/12/40/185581240.db2.gz	VCUXNODJEJAJAO-UHFFFAOYSA-N	0	0	311.392	2.387	10	5		DEBERN
O=[N+]([O-])c1nn(C[C@@H](O)CC2CCCC2)cc1Br	ZINC000232146213	201894157	/nfs/dbraw/zinc/89/41/57/201894157.db2.gz	MXJLGSGIOIUGAJ-VIFPVBQESA-N	0	0	318.171	2.495	10	5		DEBERN
O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1C[C@@H]2CC[C@@H](O)[C@H]2C1	ZINC000252853513	282595980	/nfs/dbraw/zinc/59/59/80/282595980.db2.gz	GQMRFXUNHXLTST-AQUOVQTQSA-N	0	0	310.737	2.091	10	5		DEBERN
O=C(NCCCc1ncc[nH]1)c1cc(Cl)cc([N+](=O)[O-])c1	ZINC000141263148	186029298	/nfs/dbraw/zinc/02/92/98/186029298.db2.gz	UOJQNJIZSGIETJ-UHFFFAOYSA-N	0	0	308.725	2.334	10	5		DEBERN
C[C@H](O)C(C)(C)Nc1ncc(Br)cc1[N+](=O)[O-]	ZINC000145126935	186036787	/nfs/dbraw/zinc/03/67/87/186036787.db2.gz	HENDPXOMFXVCMQ-LURJTMIESA-N	0	0	304.144	2.324	10	5		DEBERN
CC[C@@H](NC(=O)NOC[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1	ZINC000188043459	186248667	/nfs/dbraw/zinc/24/86/67/186248667.db2.gz	NOHWTWBWTYQKIY-BXUZGUMPSA-N	0	0	323.349	2.313	10	5		DEBERN
CCS(=O)(=O)CCN(C)[C@H](C)c1cccc([N+](=O)[O-])c1	ZINC000172395038	198090141	/nfs/dbraw/zinc/09/01/41/198090141.db2.gz	JQKJCRDAIMXDRO-LLVKDONJSA-N	0	0	300.380	2.022	10	5		DEBERN
COC(=O)/C=C/c1ccc(NC[C@@H](O)C(C)C)c([N+](=O)[O-])c1	ZINC000172641617	198130640	/nfs/dbraw/zinc/13/06/40/198130640.db2.gz	DSOHLULPJLZLGZ-HZRUHFOJSA-N	0	0	308.334	2.210	10	5		DEBERN
CN(CC(=O)NCCc1ccsc1)c1ccccc1[N+](=O)[O-]	ZINC000173406482	198210776	/nfs/dbraw/zinc/21/07/76/198210776.db2.gz	MKEHZWQEOVKWSU-UHFFFAOYSA-N	0	0	319.386	2.451	10	5		DEBERN
COC(=O)C[C@@H]1CSCCN1Cc1csc([N+](=O)[O-])c1	ZINC000174736750	198378219	/nfs/dbraw/zinc/37/82/19/198378219.db2.gz	QLMSKCKXDQPKOK-SNVBAGLBSA-N	0	0	316.404	2.137	10	5		DEBERN
CC(C)OC(=O)[C@@H](C)n1c(=O)ccc2cc([N+](=O)[O-])ccc21	ZINC000075313227	191461578	/nfs/dbraw/zinc/46/15/78/191461578.db2.gz	UTYUANUSWKHZFD-SNVBAGLBSA-N	0	0	304.302	2.422	10	5		DEBERN
C[C@@H]1COC[C@H](C)N1Cc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000077365590	191700450	/nfs/dbraw/zinc/70/04/50/191700450.db2.gz	OBZAYOVTPFYKII-PHIMTYICSA-N	0	0	308.334	2.071	10	5		DEBERN
O=[N+]([O-])c1cn(S(=O)(=O)c2ccccc2)c2ncccc12	ZINC000095920007	355697380	/nfs/dbraw/zinc/69/73/80/355697380.db2.gz	RHRGOHQEYKNIDU-UHFFFAOYSA-N	0	0	303.299	2.182	10	5		DEBERN
C[C@H](CO)[C@H](C)NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1	ZINC000077839466	191784604	/nfs/dbraw/zinc/78/46/04/191784604.db2.gz	ZYVZFIDMEJHOAS-OLZOCXBDSA-N	0	0	323.393	2.234	10	5		DEBERN
CC(C)NC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCC[C@@H]12	ZINC000169678949	355979556	/nfs/dbraw/zinc/97/95/56/355979556.db2.gz	MUNZHHTXINBJSZ-ZFWWWQNUSA-N	0	0	303.362	2.261	10	5		DEBERN
CCCn1nccc1NC(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000078799708	191935587	/nfs/dbraw/zinc/93/55/87/191935587.db2.gz	DXYMGOFOOOQVBQ-UHFFFAOYSA-N	0	0	304.306	2.462	10	5		DEBERN
O=[N+]([O-])c1ccc(NCCCn2ccnn2)cc1OC(F)F	ZINC000182232152	356115961	/nfs/dbraw/zinc/11/59/61/356115961.db2.gz	VAEPMWLWZGXHHR-UHFFFAOYSA-N	0	0	313.264	2.290	10	5		DEBERN
COc1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)on1	ZINC000183610514	356177595	/nfs/dbraw/zinc/17/75/95/356177595.db2.gz	XEQVMLAGFBEMGK-MRVPVSSYSA-N	0	0	303.274	2.183	10	5		DEBERN
CNC(=O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1	ZINC000179262173	199006806	/nfs/dbraw/zinc/00/68/06/199006806.db2.gz	BNHVDBMRQAAMHI-NSHDSACASA-N	0	0	317.267	2.328	10	5		DEBERN
O=C(NC[C@H]1CCC[C@H]1CO)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000089484460	192800422	/nfs/dbraw/zinc/80/04/22/192800422.db2.gz	KKTHKUOETCSVJC-ZJUUUORDSA-N	0	0	312.753	2.387	10	5		DEBERN
CO[C@H]1CN(C(=O)NCc2ccccc2[N+](=O)[O-])CC[C@@H]1C	ZINC000187352269	200099954	/nfs/dbraw/zinc/09/99/54/200099954.db2.gz	CXJZYJHOZIFLSC-FZMZJTMJSA-N	0	0	307.350	2.161	10	5		DEBERN
CCc1ccc(C(=O)N2CCC[C@]2(C)C(=O)OC)cc1[N+](=O)[O-]	ZINC000187638708	200138820	/nfs/dbraw/zinc/13/88/20/200138820.db2.gz	WHCPIICDCTXPDO-MRXNPFEDSA-N	0	0	320.345	2.325	10	5		DEBERN
C[C@H](C1CC1)n1nccc1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000188376042	200235477	/nfs/dbraw/zinc/23/54/77/200235477.db2.gz	YJDZHPZWONFAQF-MRVPVSSYSA-N	0	0	317.305	2.115	10	5		DEBERN
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC1(CO)CC1	ZINC000189154119	200357870	/nfs/dbraw/zinc/35/78/70/200357870.db2.gz	LKMZYACYALMIRX-LLVKDONJSA-N	0	0	324.402	2.306	10	5		DEBERN
Cc1cc([C@@H]2CN(c3c([N+](=O)[O-])ncn3C)CCO2)ccc1F	ZINC000611204738	361547501	/nfs/dbraw/zinc/54/75/01/361547501.db2.gz	ZUACCKWJGLHNNL-ZDUSSCGKSA-N	0	0	320.324	2.354	10	5		DEBERN
COC(=O)[C@@H]1CC12CCN(c1nc(C)cc(C)c1[N+](=O)[O-])CC2	ZINC000611616231	361645882	/nfs/dbraw/zinc/64/58/82/361645882.db2.gz	AXVNXCJQUODXAS-LBPRGKRZSA-N	0	0	319.361	2.386	10	5		DEBERN
CCOC(=O)CC[C@@H](C)NC(=O)c1c(C)cccc1[N+](=O)[O-]	ZINC000194962574	201317665	/nfs/dbraw/zinc/31/76/65/201317665.db2.gz	HHGRKQRSWVXFOP-LLVKDONJSA-N	0	0	308.334	2.365	10	5		DEBERN
CCOC(=O)[C@@H](C)Nc1ncc([N+](=O)[O-])cc1Br	ZINC000093433984	193250856	/nfs/dbraw/zinc/25/08/56/193250856.db2.gz	SHFQFHDTUKIXGA-ZCFIWIBFSA-N	0	0	318.127	2.116	10	5		DEBERN
COC(=O)[C@@H](N)CCSCc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000093633099	193277034	/nfs/dbraw/zinc/27/70/34/193277034.db2.gz	FRJXRCSRSQLLLL-JTQLQIEISA-N	0	0	318.782	2.372	10	5		DEBERN
CC1(C)CCC[C@H](S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H]1[NH3+]	ZINC000094281655	193356278	/nfs/dbraw/zinc/35/62/78/193356278.db2.gz	PDYNMAULHYZPTM-STQMWFEESA-N	0	0	312.391	2.275	10	5		DEBERN
Nc1ccc([N+](=O)[O-])cc1-c1nc([C@@H]2CSCCO2)no1	ZINC000094501968	193374894	/nfs/dbraw/zinc/37/48/94/193374894.db2.gz	REILWMGWBOKHTR-JTQLQIEISA-N	0	0	308.319	2.032	10	5		DEBERN
Cc1cc(N)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CC(C)C	ZINC000094780523	193397784	/nfs/dbraw/zinc/39/77/84/193397784.db2.gz	OMDRSICRURAZAL-SNVBAGLBSA-N	0	0	315.395	2.198	10	5		DEBERN
Cc1cc(N)c([N+](=O)[O-])cc1S(=O)(=O)NC1CCCCC1	ZINC000094780394	193398163	/nfs/dbraw/zinc/39/81/63/193398163.db2.gz	QTCIIMUAPXVHMN-UHFFFAOYSA-N	0	0	313.379	2.096	10	5		DEBERN
CCCCN1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1=O	ZINC000008270290	181542538	/nfs/dbraw/zinc/54/25/38/181542538.db2.gz	JIORGCRNAKOBDC-JTQLQIEISA-N	0	0	323.324	2.321	10	5		DEBERN
COC(=O)[C@@H]1CC12CCN(Cc1csc([N+](=O)[O-])c1)CC2	ZINC000265031037	204352992	/nfs/dbraw/zinc/35/29/92/204352992.db2.gz	ILZRBFBQZPQDMI-NSHDSACASA-N	0	0	310.375	2.431	10	5		DEBERN
Cc1cc(S(=O)(=O)N2CCCSCC2)ccc1[N+](=O)[O-]	ZINC000265238292	204475133	/nfs/dbraw/zinc/47/51/33/204475133.db2.gz	SMYSUJNLNUITFX-UHFFFAOYSA-N	0	0	316.404	2.031	10	5		DEBERN
CCc1ccc([C@@H](C)NC(=O)c2c([N+](=O)[O-])cnn2C)cc1	ZINC000160312855	197399916	/nfs/dbraw/zinc/39/99/16/197399916.db2.gz	BUZITLPNMTZFFT-SNVBAGLBSA-N	0	0	302.334	2.382	10	5		DEBERN
O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1CCc2c1cccc2F	ZINC000097712993	193749175	/nfs/dbraw/zinc/74/91/75/193749175.db2.gz	SHUNHYWWDGGGLN-AWEZNQCLSA-N	0	0	318.308	2.124	10	5		DEBERN
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCS[C@@H](C)C1	ZINC000171712136	291600967	/nfs/dbraw/zinc/60/09/67/291600967.db2.gz	MYDDIZAYXXLBFB-VIFPVBQESA-N	0	0	316.404	2.029	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H](CO)[C@H]1C	ZINC000488941729	248817174	/nfs/dbraw/zinc/81/71/74/248817174.db2.gz	SYQYNYTXAPTPIM-VXGBXAGGSA-N	0	0	307.350	2.446	10	5		DEBERN
CC[C@@H](C)NC(=O)[C@@H](C)n1cc(Br)c([N+](=O)[O-])n1	ZINC000040517346	183089621	/nfs/dbraw/zinc/08/96/21/183089621.db2.gz	CHZZLIFLGIVLSQ-RNFRBKRXSA-N	0	0	319.159	2.030	10	5		DEBERN
COCCNc1ncnc(Nc2cccc(OC)c2)c1[N+](=O)[O-]	ZINC000040586874	183106160	/nfs/dbraw/zinc/10/61/60/183106160.db2.gz	LWJQEKAHZOEMKK-UHFFFAOYSA-N	0	0	319.321	2.195	10	5		DEBERN
CCN(CCO)c1ncnc(Nc2ccccc2C)c1[N+](=O)[O-]	ZINC000040614093	183108567	/nfs/dbraw/zinc/10/85/67/183108567.db2.gz	IHTNEDUXXNGUQS-UHFFFAOYSA-N	0	0	317.349	2.255	10	5		DEBERN
C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)C1	ZINC000040724454	183124837	/nfs/dbraw/zinc/12/48/37/183124837.db2.gz	IMWULYDZONKUEJ-MRVPVSSYSA-N	0	0	304.755	2.279	10	5		DEBERN
Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2F)cc1	ZINC000043474498	183366002	/nfs/dbraw/zinc/36/60/02/183366002.db2.gz	KYRPAXPGWJLGIR-UHFFFAOYSA-N	0	0	311.294	2.117	10	5		DEBERN
CCCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC	ZINC000050631951	183791761	/nfs/dbraw/zinc/79/17/61/183791761.db2.gz	SKNZYKUFLJPWSZ-UHFFFAOYSA-N	0	0	315.395	2.495	10	5		DEBERN
CCNc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)C(C)C)c1	ZINC000050650790	183794149	/nfs/dbraw/zinc/79/41/49/183794149.db2.gz	RTUDRVOFZJLREA-JTQLQIEISA-N	0	0	315.395	2.349	10	5		DEBERN
CCN(CC(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NC	ZINC000050652224	183794681	/nfs/dbraw/zinc/79/46/81/183794681.db2.gz	NGLZSTNLJBHCLN-UHFFFAOYSA-N	0	0	315.395	2.303	10	5		DEBERN
CCC[C@@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1NC	ZINC000050658673	183796079	/nfs/dbraw/zinc/79/60/79/183796079.db2.gz	MPZLPRLVCKOQDE-SNVBAGLBSA-N	0	0	315.395	2.446	10	5		DEBERN
CC[C@H](C)[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC	ZINC000050671124	183797248	/nfs/dbraw/zinc/79/72/48/183797248.db2.gz	ADVTZILMLBWBOC-UWVGGRQHSA-N	0	0	315.395	2.349	10	5		DEBERN
O=[N+]([O-])c1cc(S(=O)(=O)NCCC2CC2)sc1Cl	ZINC000157434817	197187255	/nfs/dbraw/zinc/18/72/55/197187255.db2.gz	NISSJCFJFWRCII-UHFFFAOYSA-N	0	0	310.784	2.388	10	5		DEBERN
CCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)nn1	ZINC000061978065	184199234	/nfs/dbraw/zinc/19/92/34/184199234.db2.gz	QIOUQEWQNZVSBR-UHFFFAOYSA-N	0	0	302.290	2.344	10	5		DEBERN
CCOc1nc(N)nc(Oc2ccc(Cl)cc2[N+](=O)[O-])n1	ZINC000158245529	197256162	/nfs/dbraw/zinc/25/61/62/197256162.db2.gz	XWZVKFAVOOPSHV-UHFFFAOYSA-N	0	0	311.685	2.206	10	5		DEBERN
NNc1cc(C(=O)NCc2ccsc2)c([N+](=O)[O-])cc1F	ZINC000063151983	184273782	/nfs/dbraw/zinc/27/37/82/184273782.db2.gz	RBWKSQJLKDNLPS-UHFFFAOYSA-N	0	0	310.310	2.011	10	5		DEBERN
C[C@H]1C[C@H]1CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000159081769	197325245	/nfs/dbraw/zinc/32/52/45/197325245.db2.gz	NSJQTQSFNDBPLQ-YUMQZZPRSA-N	0	0	304.755	2.183	10	5		DEBERN
CNc1cccc(Sc2n[nH]c(=O)n2C(C)C)c1[N+](=O)[O-]	ZINC000158871340	197306912	/nfs/dbraw/zinc/30/69/12/197306912.db2.gz	CZINECZWTREOLG-UHFFFAOYSA-N	0	0	309.351	2.253	10	5		DEBERN
O=c1[nH]c(N2CCCSCC2)nc2ccc([N+](=O)[O-])cc12	ZINC000286482602	285148564	/nfs/dbraw/zinc/14/85/64/285148564.db2.gz	UTFGCRFDMLYSHN-UHFFFAOYSA-N	0	0	306.347	2.187	10	5		DEBERN
CNC(=O)c1ccc(NCCC2=CCOCC2)c([N+](=O)[O-])c1	ZINC000158075255	197242113	/nfs/dbraw/zinc/24/21/13/197242113.db2.gz	OZXMHEIJLAHZJV-UHFFFAOYSA-N	0	0	305.334	2.103	10	5		DEBERN
CCC[C@H](CC)NS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1	ZINC000157568430	197198167	/nfs/dbraw/zinc/19/81/67/197198167.db2.gz	BHLKGTPPZLFNEF-ZETCQYMHSA-N	0	0	307.397	2.096	10	5		DEBERN
CCC(CC)NS(=O)(=O)c1cc([N+](=O)[O-])c(NC)s1	ZINC000157550026	197196650	/nfs/dbraw/zinc/19/66/50/197196650.db2.gz	FIKUQRGUBWHPGL-UHFFFAOYSA-N	0	0	307.397	2.165	10	5		DEBERN
O=C(NOCC(F)(F)F)c1cc(F)c(F)cc1[N+](=O)[O-]	ZINC000156159536	197090644	/nfs/dbraw/zinc/09/06/44/197090644.db2.gz	AZTGKEGRKBSCMO-UHFFFAOYSA-N	0	0	300.139	2.097	10	5		DEBERN
C[C@H]1CC[C@H](C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)O1	ZINC000155631448	197074126	/nfs/dbraw/zinc/07/41/26/197074126.db2.gz	KYALZEKCSOHJNJ-GXFFZTMASA-N	0	0	316.317	2.287	10	5		DEBERN
CC[C@H](CSC)N(C)C(=O)c1cccc([N+](=O)[O-])c1NN	ZINC000124730165	195673017	/nfs/dbraw/zinc/67/30/17/195673017.db2.gz	BXAYLHVUGYQGLB-SECBINFHSA-N	0	0	312.395	2.094	10	5		DEBERN
Nc1ncnc(NCc2cccc(Br)c2)c1[N+](=O)[O-]	ZINC000124163576	195611457	/nfs/dbraw/zinc/61/14/57/195611457.db2.gz	LZMUXFYWDVNDKL-UHFFFAOYSA-N	0	0	324.138	2.342	10	5		DEBERN
Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCS(=O)(=O)[C@H](C)C1	ZINC000302830742	291993908	/nfs/dbraw/zinc/99/39/08/291993908.db2.gz	QEFVIOKPUNGWMR-SECBINFHSA-N	0	0	318.782	2.180	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)CCc1cccn1C	ZINC000174601934	132509864	/nfs/dbraw/zinc/50/98/64/132509864.db2.gz	LRJPAJUMFJEKRP-LLVKDONJSA-N	0	0	316.361	2.388	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CCc1cccn1C	ZINC000174601924	132509905	/nfs/dbraw/zinc/50/99/05/132509905.db2.gz	LRJPAJUMFJEKRP-NSHDSACASA-N	0	0	316.361	2.388	10	5		DEBERN
O=C(N[C@H]1Cc2ccccc2[C@H]1O)c1csc([N+](=O)[O-])c1	ZINC000178320357	132534653	/nfs/dbraw/zinc/53/46/53/132534653.db2.gz	IHWPLRFTKMGXBN-WCQYABFASA-N	0	0	304.327	2.044	10	5		DEBERN
O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1COc2ccccc21	ZINC000195016693	132543491	/nfs/dbraw/zinc/54/34/91/132543491.db2.gz	OCDOJSOBAFQVON-ZDUSSCGKSA-N	0	0	313.313	2.257	10	5		DEBERN
Nc1c(C(=O)N[C@H]2COc3ccccc32)cc(F)cc1[N+](=O)[O-]	ZINC000195016737	132543797	/nfs/dbraw/zinc/54/37/97/132543797.db2.gz	FAGNBGLEWOPFSC-NSHDSACASA-N	0	0	317.276	2.180	10	5		DEBERN
CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](CO)C1CC1	ZINC000359777051	133143970	/nfs/dbraw/zinc/14/39/70/133143970.db2.gz	DVLHCZAWSGGMSV-LLVKDONJSA-N	0	0	324.402	2.455	10	5		DEBERN
C[C@@H]1CC[C@@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1	ZINC000360386528	133179308	/nfs/dbraw/zinc/17/93/08/133179308.db2.gz	XJOAAIXXSDIJAS-VXGBXAGGSA-N	0	0	312.391	2.450	10	5		DEBERN
Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCCn1ccnn1	ZINC000191413583	145057861	/nfs/dbraw/zinc/05/78/61/145057861.db2.gz	XXNGTUBIUYOXTO-UHFFFAOYSA-N	0	0	318.337	2.015	10	5		DEBERN
O=[N+]([O-])c1cnc(NCCc2nc(-c3ccccc3)n[nH]2)s1	ZINC000192530845	145074935	/nfs/dbraw/zinc/07/49/35/145074935.db2.gz	DCIAXUJAALDGEZ-UHFFFAOYSA-N	0	0	316.346	2.491	10	5		DEBERN
COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000249503720	145185662	/nfs/dbraw/zinc/18/56/62/145185662.db2.gz	XXXIWKYBTMGHTI-UBHSHLNASA-N	0	0	318.329	2.009	10	5		DEBERN
COCCC1(C)CN(C(=O)NCc2cccc([N+](=O)[O-])c2C)C1	ZINC000359140305	147269252	/nfs/dbraw/zinc/26/92/52/147269252.db2.gz	AGLREQAREBJWQI-UHFFFAOYSA-N	0	0	321.377	2.471	10	5		DEBERN
C[C@@H]1CCOCCN1C(=O)CCNc1ccccc1[N+](=O)[O-]	ZINC000367720238	147785304	/nfs/dbraw/zinc/78/53/04/147785304.db2.gz	FNKMJQBUZHGSAP-GFCCVEGCSA-N	0	0	307.350	2.034	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(Cc2noc(-c3ccccc3)n2)c1=O	ZINC000127192816	401724303	/nfs/dbraw/zinc/72/43/03/401724303.db2.gz	OTWGBYKRSJMERX-UHFFFAOYSA-N	0	0	312.285	2.163	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(CC(=O)c2ccc(F)c(F)c2)c1=O	ZINC000127315541	401728570	/nfs/dbraw/zinc/72/85/70/401728570.db2.gz	WSOADCPXYCNGHW-UHFFFAOYSA-N	0	0	308.240	2.226	10	5		DEBERN
O=C1[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1ccc(F)c([N+](=O)[O-])c1	ZINC000005179653	401728626	/nfs/dbraw/zinc/72/86/26/401728626.db2.gz	VHCDEFNOVSKTOY-OZVVPTBGSA-N	0	0	304.277	2.269	10	5		DEBERN
CCc1noc(C)c1NC(=O)COc1ccccc1[N+](=O)[O-]	ZINC000132733892	401872122	/nfs/dbraw/zinc/87/21/22/401872122.db2.gz	ILNZPJIQKSKLEO-UHFFFAOYSA-N	0	0	305.290	2.471	10	5		DEBERN
Cc1cc([N+](=O)[O-])cc2[nH]nc(I)c21	ZINC000014985658	401814502	/nfs/dbraw/zinc/81/45/02/401814502.db2.gz	QJGKMXBICJYOCY-UHFFFAOYSA-N	0	0	303.059	2.384	10	5		DEBERN
COC(=O)[C@@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-]	ZINC000079927932	401884336	/nfs/dbraw/zinc/88/43/36/401884336.db2.gz	RVQUIAPXGLEADS-ZDUSSCGKSA-N	0	0	308.334	2.001	10	5		DEBERN
O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H](Oc2cccnc2)C1	ZINC000135800242	401953372	/nfs/dbraw/zinc/95/33/72/401953372.db2.gz	QODZGMUMDWRHQS-OAHLLOKOSA-N	0	0	313.313	2.283	10	5		DEBERN
Cc1c(NC(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cccc1[N+](=O)[O-]	ZINC000119487379	401953465	/nfs/dbraw/zinc/95/34/65/401953465.db2.gz	AKUFVNAKKATGBA-ONGXEEELSA-N	0	0	320.349	2.021	10	5		DEBERN
CCOC(=O)CC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000089804390	401964831	/nfs/dbraw/zinc/96/48/31/401964831.db2.gz	IPQYXLXPJMOTRL-MRVPVSSYSA-N	0	0	314.363	2.426	10	5		DEBERN
CCOC(=O)CC[C@H](C)NC(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000089804507	401965241	/nfs/dbraw/zinc/96/52/41/401965241.db2.gz	CDOPWWCZJFAWBJ-NSHDSACASA-N	0	0	308.334	2.365	10	5		DEBERN
Cc1cnn(CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1	ZINC000135475881	401941429	/nfs/dbraw/zinc/94/14/29/401941429.db2.gz	IUAKQALPFFXDEC-UHFFFAOYSA-N	0	0	308.725	2.183	10	5		DEBERN
O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000151315543	402028889	/nfs/dbraw/zinc/02/88/89/402028889.db2.gz	QZMHMOQUQAMIAG-YOEHRIQHSA-N	0	0	318.373	2.291	10	5		DEBERN
O=[N+]([O-])c1cc(F)c(NC[C@H](O)C[NH+]2CCCCC2)c(F)c1	ZINC000121685367	402049055	/nfs/dbraw/zinc/04/90/55/402049055.db2.gz	UNEGAXKYLYLHAH-NSHDSACASA-N	0	0	315.320	2.132	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C(=O)OC(C)(C)C	ZINC000152878461	402114421	/nfs/dbraw/zinc/11/44/21/402114421.db2.gz	QIUUFSVVGXLJKG-SNVBAGLBSA-N	0	0	308.334	2.363	10	5		DEBERN
CCCC(=O)N[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000101563719	402148927	/nfs/dbraw/zinc/14/89/27/402148927.db2.gz	FZXGWNXCRZSQFG-AWEZNQCLSA-N	0	0	305.378	2.476	10	5		DEBERN
Cc1cnn(CCNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c1	ZINC000153622079	402158016	/nfs/dbraw/zinc/15/80/16/402158016.db2.gz	ISRGMYYCSMQIJN-UHFFFAOYSA-N	0	0	303.322	2.230	10	5		DEBERN
C[NH+](C)CC1CCC(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1	ZINC000124313765	402174455	/nfs/dbraw/zinc/17/44/55/402174455.db2.gz	YGAFKWGXNLWUJG-UHFFFAOYSA-N	0	0	321.377	2.151	10	5		DEBERN
COc1ncccc1CNC(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000124387987	402177182	/nfs/dbraw/zinc/17/71/82/402177182.db2.gz	GYDYTAXISXVFSA-UHFFFAOYSA-N	0	0	301.302	2.237	10	5		DEBERN
CCCCOC(=O)CNC(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000106827908	402216841	/nfs/dbraw/zinc/21/68/41/402216841.db2.gz	JUJCQZVVSAKJCD-UHFFFAOYSA-N	0	0	300.336	2.038	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CC(F)F)C1CC1	ZINC000106896498	402220984	/nfs/dbraw/zinc/22/09/84/402220984.db2.gz	VMGYWXISXXWXSA-UHFFFAOYSA-N	0	0	320.317	2.321	10	5		DEBERN
COc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)n1	ZINC000125346567	402226937	/nfs/dbraw/zinc/22/69/37/402226937.db2.gz	WIKWCTBUFYUFAP-UHFFFAOYSA-N	0	0	301.302	2.237	10	5		DEBERN
C[C@H](CO)[C@H](C)Nc1ncc(Br)cc1[N+](=O)[O-]	ZINC000125655061	402243561	/nfs/dbraw/zinc/24/35/61/402243561.db2.gz	PWXRVAKIBYTPGU-RQJHMYQMSA-N	0	0	304.144	2.181	10	5		DEBERN
Cn1c(NC(=O)c2n[nH]cc2[N+](=O)[O-])nc2cc(Cl)ccc21	ZINC000125845484	402252978	/nfs/dbraw/zinc/25/29/78/402252978.db2.gz	KKJIWTIVAQQDTC-UHFFFAOYSA-N	0	0	320.696	2.110	10	5		DEBERN
CN(CCn1ccc([N+](=O)[O-])n1)Cc1nc2c(s1)CCCC2	ZINC000176288838	402297064	/nfs/dbraw/zinc/29/70/64/402297064.db2.gz	HBNVXLYAFZTLNG-UHFFFAOYSA-N	0	0	321.406	2.259	10	5		DEBERN
COc1cccc(N2CCC[C@H](n3cncn3)C2)c1[N+](=O)[O-]	ZINC000185378342	402348393	/nfs/dbraw/zinc/34/83/93/402348393.db2.gz	KBDKIAKBSAWBIC-NSHDSACASA-N	0	0	303.322	2.036	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1Cn1ccnc1	ZINC000177754815	402432581	/nfs/dbraw/zinc/43/25/81/402432581.db2.gz	YOJLGLONHBKFNP-CQSZACIVSA-N	0	0	314.345	2.405	10	5		DEBERN
CC[C@H](NC(=O)CCOCCOC)c1cccc([N+](=O)[O-])c1	ZINC000177783389	402435721	/nfs/dbraw/zinc/43/57/21/402435721.db2.gz	VVFPCNWDPPKCMO-AWEZNQCLSA-N	0	0	310.350	2.215	10	5		DEBERN
Cc1cc(=O)n(Cc2nnc(-c3ccccc3)o2)cc1[N+](=O)[O-]	ZINC000177790590	402436554	/nfs/dbraw/zinc/43/65/54/402436554.db2.gz	GWTVNGCSZSEDIU-UHFFFAOYSA-N	0	0	312.285	2.163	10	5		DEBERN
CC[C@H](NC(=O)Cc1cnn(C)c1)c1cccc([N+](=O)[O-])c1	ZINC000177804480	402438157	/nfs/dbraw/zinc/43/81/57/402438157.db2.gz	VMPXNLFWBXKQPN-AWEZNQCLSA-N	0	0	302.334	2.138	10	5		DEBERN
Cc1c(NC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)cccc1[N+](=O)[O-]	ZINC000163117063	402441682	/nfs/dbraw/zinc/44/16/82/402441682.db2.gz	YBLRRNTWCNWOOY-WDEREUQCSA-N	0	0	320.349	2.069	10	5		DEBERN
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H]1Cc2ccccc2[C@@H]1O	ZINC000178546933	402510284	/nfs/dbraw/zinc/51/02/84/402510284.db2.gz	RASLCSPIDVGVNV-XMIMXHRVSA-N	0	0	324.336	2.383	10	5		DEBERN
C[C@H]1OCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]1C	ZINC000166174691	402481725	/nfs/dbraw/zinc/48/17/25/402481725.db2.gz	QBZHUSZWTNUZIB-NXEZZACHSA-N	0	0	303.318	2.326	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1Cc2ccccc2[C@H]1O	ZINC000178335070	402486521	/nfs/dbraw/zinc/48/65/21/402486521.db2.gz	UNJINNSMUVYFDU-HZPDHXFCSA-N	0	0	312.325	2.291	10	5		DEBERN
Cc1csc([C@H]2COCCN2c2ncccc2[N+](=O)[O-])n1	ZINC000189135579	402531304	/nfs/dbraw/zinc/53/13/04/402531304.db2.gz	OCAGIWNKFYCJBA-LLVKDONJSA-N	0	0	306.347	2.333	10	5		DEBERN
O=[N+]([O-])c1cc(CN2CCS[C@H]3COCC[C@H]32)cs1	ZINC000246595666	402538113	/nfs/dbraw/zinc/53/81/13/402538113.db2.gz	CWMGPYFCKSOJAM-MNOVXSKESA-N	0	0	300.405	2.363	10	5		DEBERN
CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@@H](C)C1	ZINC000248479108	402592347	/nfs/dbraw/zinc/59/23/47/402592347.db2.gz	QCJWQPDELHRDGP-FZMZJTMJSA-N	0	0	321.377	2.103	10	5		DEBERN
O=[N+]([O-])c1cnc(N2CCC[C@H](c3nncn3C3CC3)C2)s1	ZINC000190337994	402593805	/nfs/dbraw/zinc/59/38/05/402593805.db2.gz	HWPBZXJBARCGQL-VIFPVBQESA-N	0	0	320.378	2.362	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](n2cncn2)C1	ZINC000171615415	402601376	/nfs/dbraw/zinc/60/13/76/402601376.db2.gz	HSNMPEAKZKTYMN-CQSZACIVSA-N	0	0	317.349	2.032	10	5		DEBERN
Cc1ncsc1CN(C)C(=O)c1cc([N+](=O)[O-])cnc1C	ZINC000171684192	402609496	/nfs/dbraw/zinc/60/94/96/402609496.db2.gz	FRDZGDBFYGWTLC-UHFFFAOYSA-N	0	0	306.347	2.335	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC(C)(C)OC1(C)C	ZINC000180553083	402619736	/nfs/dbraw/zinc/61/97/36/402619736.db2.gz	SAPDOYJZNASLEI-LBPRGKRZSA-N	0	0	307.350	2.374	10	5		DEBERN
Cc1ccc(C[C@H](C)N(C)C(=O)Cn2cc([N+](=O)[O-])cn2)cc1	ZINC000172470772	402657981	/nfs/dbraw/zinc/65/79/81/402657981.db2.gz	VVMCMCLQQZCVLK-ZDUSSCGKSA-N	0	0	316.361	2.189	10	5		DEBERN
C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](N2CCOCC2)C1	ZINC000173941272	402720806	/nfs/dbraw/zinc/72/08/06/402720806.db2.gz	QWDXJCOUNIOPEL-CJNGLKHVSA-N	0	0	305.378	2.062	10	5		DEBERN
CCSCC[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000174069696	402725739	/nfs/dbraw/zinc/72/57/39/402725739.db2.gz	HORNPXUINRCRDX-QMMMGPOBSA-N	0	0	324.449	2.466	10	5		DEBERN
COc1ccc(CNC(=O)c2cc([N+](=O)[O-])cnc2C)cc1F	ZINC000192574137	402737768	/nfs/dbraw/zinc/73/77/68/402737768.db2.gz	XHQPGHPILCJZDW-UHFFFAOYSA-N	0	0	319.292	2.376	10	5		DEBERN
O=C(Nc1ccncc1[N+](=O)[O-])N1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000183624478	402782724	/nfs/dbraw/zinc/78/27/24/402782724.db2.gz	OEBZBPHEDZNSRD-IAQYHMDHSA-N	0	0	320.349	2.149	10	5		DEBERN
COCCOC1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1	ZINC000265481000	402923221	/nfs/dbraw/zinc/92/32/21/402923221.db2.gz	HIOXRLCYBWAXSE-UHFFFAOYSA-N	0	0	315.757	2.275	10	5		DEBERN
Cc1c(F)cc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)cc1[N+](=O)[O-]	ZINC000274643225	403074022	/nfs/dbraw/zinc/07/40/22/403074022.db2.gz	BAZIEGSSCZEBLB-DTORHVGOSA-N	0	0	316.354	2.319	10	5		DEBERN
COc1cc(N2CC[C@@](O)(C(F)(F)F)C2)c(F)cc1[N+](=O)[O-]	ZINC000271090726	403262996	/nfs/dbraw/zinc/26/29/96/403262996.db2.gz	KVRHIMXVRWMHLZ-NSHDSACASA-N	0	0	324.230	2.246	10	5		DEBERN
O=C(CNc1ncccc1[N+](=O)[O-])N1CCc2sccc2C1	ZINC000301152074	403595451	/nfs/dbraw/zinc/59/54/51/403595451.db2.gz	DLNNFSZPPLLBCQ-UHFFFAOYSA-N	0	0	318.358	2.048	10	5		DEBERN
O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCCC23CCC3)cc1	ZINC000368914311	403902853	/nfs/dbraw/zinc/90/28/53/403902853.db2.gz	JOBOMZPKFVXHHB-UHFFFAOYSA-N	0	0	310.375	2.443	10	5		DEBERN
COC(=O)c1ccc([N+](=O)[O-])c(OCc2ncc(C)cn2)c1	ZINC000361084324	404910861	/nfs/dbraw/zinc/91/08/61/404910861.db2.gz	BLFDAXNFNPCQEO-UHFFFAOYSA-N	0	0	303.274	2.059	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCO[C@@]3(CCOC3)C2)n1	ZINC000408172187	405130349	/nfs/dbraw/zinc/13/03/49/405130349.db2.gz	SYRZUVFSIRTEIF-WFASDCNBSA-N	0	0	307.350	2.357	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCOCC[C@H]1C	ZINC000367654122	405113966	/nfs/dbraw/zinc/11/39/66/405113966.db2.gz	BJMWNFCEGGHNGT-CYBMUJFWSA-N	0	0	321.377	2.343	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1	ZINC000408233205	405147785	/nfs/dbraw/zinc/14/77/85/405147785.db2.gz	YUIKFTXPFLBFIL-OLZOCXBDSA-N	0	0	303.362	2.212	10	5		DEBERN
O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@]2(CCOC2)C1	ZINC000408275982	405159711	/nfs/dbraw/zinc/15/97/11/405159711.db2.gz	FNFHAHVCNSQNIJ-CQSZACIVSA-N	0	0	309.297	2.378	10	5		DEBERN
Cc1nc(N(C)[C@H](C)Cc2ccc(O)cc2)ncc1[N+](=O)[O-]	ZINC000450376636	405864026	/nfs/dbraw/zinc/86/40/26/405864026.db2.gz	HCNJOHNEOBAWOB-SNVBAGLBSA-N	0	0	302.334	2.466	10	5		DEBERN
O=[N+]([O-])c1ccc(N[C@@H]2CCCN(CC(F)(F)F)C2)cn1	ZINC000450527284	405943428	/nfs/dbraw/zinc/94/34/28/405943428.db2.gz	KAMNDXYTYSJEGG-SNVBAGLBSA-N	0	0	304.272	2.428	10	5		DEBERN
CC(C)n1ncc2c1C[C@@H](Nc1c([N+](=O)[O-])ncn1C)CC2	ZINC000516269540	406089598	/nfs/dbraw/zinc/08/95/98/406089598.db2.gz	GPTISXHUGQRWEJ-NSHDSACASA-N	0	0	304.354	2.075	10	5		DEBERN
CO[C@@H](C)[C@H](C)NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1	ZINC000526962931	406560812	/nfs/dbraw/zinc/56/08/12/406560812.db2.gz	CJBVFFVHXPTEJE-QWRGUYRKSA-N	0	0	307.350	2.086	10	5		DEBERN
COC(=O)c1cc(I)c(C)cc1[N+](=O)[O-]	ZINC000575714148	406822190	/nfs/dbraw/zinc/82/21/90/406822190.db2.gz	DUMAHWAZYNHBMC-UHFFFAOYSA-N	0	0	321.070	2.294	10	5		DEBERN
COc1cccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)n1	ZINC000128925741	196004472	/nfs/dbraw/zinc/00/44/72/196004472.db2.gz	KZRPOQBVBRCLRV-UHFFFAOYSA-N	0	0	302.290	2.320	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CC=CCC2)cc1F	ZINC000131208187	196149118	/nfs/dbraw/zinc/14/91/18/196149118.db2.gz	KNXLZUCTSAPRQK-SNVBAGLBSA-N	0	0	314.338	2.369	10	5		DEBERN
CCC[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(NCC)c1	ZINC000131513199	196176231	/nfs/dbraw/zinc/17/62/31/196176231.db2.gz	DQTADKCXOQICDJ-SNVBAGLBSA-N	0	0	315.395	2.494	10	5		DEBERN
CNc1cc(S(=O)(=O)N2CCC[C@@H](C)C2)ccc1[N+](=O)[O-]	ZINC000131748846	196195939	/nfs/dbraw/zinc/19/59/39/196195939.db2.gz	GIVFTWVCGFBDAJ-SNVBAGLBSA-N	0	0	313.379	2.057	10	5		DEBERN
CCOC(=O)CCC(=O)Nc1c(F)cc(F)cc1[N+](=O)[O-]	ZINC000132339462	196246970	/nfs/dbraw/zinc/24/69/70/196246970.db2.gz	IBCNJHXWHXBLAL-UHFFFAOYSA-N	0	0	302.233	2.155	10	5		DEBERN
CNc1cc(S(=O)(=O)N(C)CC2CCC2)ccc1[N+](=O)[O-]	ZINC000132461114	196257957	/nfs/dbraw/zinc/25/79/57/196257957.db2.gz	NGWVTBOUKZIXFA-UHFFFAOYSA-N	0	0	313.379	2.057	10	5		DEBERN
Nc1nc(CC(=O)Nc2c(F)cc(F)cc2[N+](=O)[O-])cs1	ZINC000132537835	196263632	/nfs/dbraw/zinc/26/36/32/196263632.db2.gz	SUWRAOSZROVOLK-UHFFFAOYSA-N	0	0	314.273	2.093	10	5		DEBERN
C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[S@](C)=O	ZINC000132929723	196296815	/nfs/dbraw/zinc/29/68/15/196296815.db2.gz	XWTAJNUGCMRMRY-ZPWHCFADSA-N	0	0	318.782	2.135	10	5		DEBERN
CC[C@@H](C)C(=O)Cn1cc(Br)cc([N+](=O)[O-])c1=O	ZINC000133056784	196308277	/nfs/dbraw/zinc/30/82/77/196308277.db2.gz	YTYOKUSDVLEQMF-SSDOTTSWSA-N	0	0	317.139	2.134	10	5		DEBERN
CN(C[C@H]1CCCO1)C(=O)c1cc(F)c([N+](=O)[O-])cc1F	ZINC000134053760	196357233	/nfs/dbraw/zinc/35/72/33/196357233.db2.gz	YXDFZSDRRNHWSY-MRVPVSSYSA-N	0	0	300.261	2.124	10	5		DEBERN
C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1nnc2n1CCCC2	ZINC000134101934	196361769	/nfs/dbraw/zinc/36/17/69/196361769.db2.gz	HZNGHZTYPSHXOB-SNVBAGLBSA-N	0	0	315.333	2.014	10	5		DEBERN
C[NH+](C)C(C)(C)COc1cc(F)c(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000135423901	196473138	/nfs/dbraw/zinc/47/31/38/196473138.db2.gz	VMXQRFMSQJARIJ-UHFFFAOYSA-N	0	0	300.286	2.151	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCCCOc2ccccc2)n1	ZINC000191497221	225111886	/nfs/dbraw/zinc/11/18/86/225111886.db2.gz	FZXQILINPHIDHT-UHFFFAOYSA-N	0	0	318.333	2.010	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)Oc2ccccc2)n1	ZINC000191616028	225112759	/nfs/dbraw/zinc/11/27/59/225112759.db2.gz	JGZKSWQDULMRNM-LLVKDONJSA-N	0	0	318.333	2.009	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCCCc2cccc(F)c2)n1	ZINC000191609732	225113717	/nfs/dbraw/zinc/11/37/17/225113717.db2.gz	ZBDXXCBZAKOVKO-UHFFFAOYSA-N	0	0	320.324	2.313	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCS[C@@H]3CCCC[C@H]32)n1	ZINC000191661997	225114931	/nfs/dbraw/zinc/11/49/31/225114931.db2.gz	MGIAPCLDSCKNTI-ZYHUDNBSSA-N	0	0	324.406	2.311	10	5		DEBERN
COCCN(Cc1ccco1)C(=O)c1cc([N+](=O)[O-])cnc1C	ZINC000193314474	424868532	/nfs/dbraw/zinc/86/85/32/424868532.db2.gz	ZKKJVUBYFVFFHI-UHFFFAOYSA-N	0	0	319.317	2.180	10	5		DEBERN
C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C[C@H]1CCCO1	ZINC000245382463	274203566	/nfs/dbraw/zinc/20/35/66/274203566.db2.gz	JJOKNDUCRYIUGB-SMDDNHRTSA-N	0	0	307.350	2.033	10	5		DEBERN
O=[N+]([O-])c1c(N[C@@H]2CCc3ncnn3C2)ccc2ncccc21	ZINC000108948293	275032789	/nfs/dbraw/zinc/03/27/89/275032789.db2.gz	RXCWVEKZIJPGMS-SNVBAGLBSA-N	0	0	310.317	2.161	10	5		DEBERN
CC(=O)N(C)C1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1	ZINC000408170824	276945909	/nfs/dbraw/zinc/94/59/09/276945909.db2.gz	GEYSEWKAVHXMOB-UHFFFAOYSA-N	0	0	306.366	2.054	10	5		DEBERN
CC(C)c1n[nH]c(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-]	ZINC000269341500	278000371	/nfs/dbraw/zinc/00/03/71/278000371.db2.gz	CZTXFVJEFUAIMZ-WDEREUQCSA-N	0	0	322.365	2.225	10	5		DEBERN
Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000081587843	279136812	/nfs/dbraw/zinc/13/68/12/279136812.db2.gz	WCGFWJMUBSLDNZ-CYBMUJFWSA-N	0	0	315.333	2.068	10	5		DEBERN
CCOc1cccc(N2CCC(C(=O)N(C)C)CC2)c1[N+](=O)[O-]	ZINC000273202304	279971037	/nfs/dbraw/zinc/97/10/37/279971037.db2.gz	RRDJSGOWMZMTJN-UHFFFAOYSA-N	0	0	321.377	2.298	10	5		DEBERN
CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2c1nc(C)cc(C)c1[N+](=O)[O-]	ZINC000408110987	294704122	/nfs/dbraw/zinc/70/41/22/294704122.db2.gz	XVEYMTHNDNXGLS-JQPXUNLUSA-N	0	0	303.362	2.466	10	5		DEBERN
CC(C)(C)C1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1	ZINC000172296363	325727689	/nfs/dbraw/zinc/72/76/89/325727689.db2.gz	SQQLGHOMHUMGRB-UHFFFAOYSA-N	0	0	308.382	2.466	10	5		DEBERN
Cn1cc(I)c2cc([N+](=O)[O-])cnc21	ZINC000584620106	337372114	/nfs/dbraw/zinc/37/21/14/337372114.db2.gz	IVLQFVDHTAPZHP-UHFFFAOYSA-N	0	0	303.059	2.086	10	5		DEBERN
Cc1ccc(CN(C)c2ncc([N+](=O)[O-])cc2C(N)=O)cc1F	ZINC000302707209	533880739	/nfs/dbraw/zinc/88/07/39/533880739.db2.gz	JSTZEWGSTJTHCJ-UHFFFAOYSA-N	0	0	318.308	2.173	10	5		DEBERN
CC[C@@H](NC(=O)C[C@@H]1COC(=O)C1)c1cccc([N+](=O)[O-])c1	ZINC000124657194	522693666	/nfs/dbraw/zinc/69/36/66/522693666.db2.gz	SGTHTZGFPHIRPG-GXFFZTMASA-N	0	0	306.318	2.115	10	5		DEBERN
CC(=O)c1ccc(OCc2cn(CC3CC3)nn2)c([N+](=O)[O-])c1	ZINC000450893209	534871298	/nfs/dbraw/zinc/87/12/98/534871298.db2.gz	RBFVLIVKNYJAIQ-UHFFFAOYSA-N	0	0	316.317	2.378	10	5		DEBERN
CCOC(=O)[C@@H]1CC[C@H](Nc2cc(CO)ccc2[N+](=O)[O-])C1	ZINC000302053459	527877016	/nfs/dbraw/zinc/87/70/16/527877016.db2.gz	PTCBRQVOQFLKAM-NEPJUHHUSA-N	0	0	308.334	2.231	10	5		DEBERN
CC(C)c1nc([C@@H]2CCCN2c2c([N+](=O)[O-])ncn2C)no1	ZINC000299576267	528310313	/nfs/dbraw/zinc/31/03/13/528310313.db2.gz	BLRXXNFHLGKSTP-VIFPVBQESA-N	0	0	306.326	2.176	10	5		DEBERN
CCOCCC1(CNC(=O)c2nn(CC)cc2[N+](=O)[O-])CCC1	ZINC000191675014	528634618	/nfs/dbraw/zinc/63/46/18/528634618.db2.gz	YVLDDJMFPRSCON-UHFFFAOYSA-N	0	0	324.381	2.138	10	5		DEBERN
CCc1[nH]nc(C(=O)Nc2cccc3c2OCCC3)c1[N+](=O)[O-]	ZINC000373063738	536008728	/nfs/dbraw/zinc/00/87/28/536008728.db2.gz	PORVUDRBJIFAMS-UHFFFAOYSA-N	0	0	316.317	2.458	10	5		DEBERN
COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H](CO)C1CC1	ZINC000357788199	536587037	/nfs/dbraw/zinc/58/70/37/536587037.db2.gz	WIOQKYYXUXKCMX-LLVKDONJSA-N	0	0	308.334	2.120	10	5		DEBERN
COCc1csc(NC(=O)COc2cccc([N+](=O)[O-])c2)n1	ZINC000115241094	536814483	/nfs/dbraw/zinc/81/44/83/536814483.db2.gz	AEKRKYYJTLLGNG-UHFFFAOYSA-N	0	0	323.330	2.215	10	5		DEBERN
COC(=O)c1cc(N2C[C@@H](C)O[C@@H](C)C2)cc(C)c1[N+](=O)[O-]	ZINC000267914102	537694936	/nfs/dbraw/zinc/69/49/36/537694936.db2.gz	CVQPRHJCLACBLL-PHIMTYICSA-N	0	0	308.334	2.303	10	5		DEBERN
O=C(CCc1ccccc1Cl)OCCn1cnc([N+](=O)[O-])n1	ZINC000176671990	624882253	/nfs/dbraw/zinc/88/22/53/624882253.db2.gz	JAXOIPTZAQSJFO-UHFFFAOYSA-N	0	0	324.724	2.016	10	5		DEBERN
CC(C)N1CC[C@@H](N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)C1=O	ZINC000177133767	625854321	/nfs/dbraw/zinc/85/43/21/625854321.db2.gz	WQXJBBCZWZOAHS-XHDPSFHLSA-N	0	0	303.362	2.355	10	5		DEBERN
O=[N+]([O-])c1ccc(F)cc1CN1CC[C@@](O)(C(F)(F)F)C1	ZINC000177272091	625897569	/nfs/dbraw/zinc/89/75/69/625897569.db2.gz	DNZKQNCQMQQDKR-NSHDSACASA-N	0	0	308.231	2.233	10	5		DEBERN
CCc1oc(C(=O)OCCn2c(C)ncc2[N+](=O)[O-])cc1C	ZINC000162796947	633150007	/nfs/dbraw/zinc/15/00/07/633150007.db2.gz	PPCPGTKQWSZISV-UHFFFAOYSA-N	0	0	307.306	2.421	10	5		DEBERN
Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCOc2ccccc21	ZINC000195129924	633364955	/nfs/dbraw/zinc/36/49/55/633364955.db2.gz	SDBCDPSEXGJQGW-AWEZNQCLSA-N	0	0	313.313	2.431	10	5		DEBERN
CC[S@](=O)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000734512157	633384399	/nfs/dbraw/zinc/38/43/99/633384399.db2.gz	DXMXKQDOUBMEQB-FQEVSTJZSA-N	0	0	319.770	2.138	10	5		DEBERN
O=C(OCC1CCC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000744198371	638200844	/nfs/dbraw/zinc/20/08/44/638200844.db2.gz	CYXGKHRATCQDPZ-LLVKDONJSA-N	0	0	322.317	2.136	10	5		DEBERN
CSCCOC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21	ZINC000744334763	638211254	/nfs/dbraw/zinc/21/12/54/638211254.db2.gz	LAUQJKBHPIAKEX-UHFFFAOYSA-N	0	0	308.315	2.368	10	5		DEBERN
C/C(=C/C(=O)OC[C@@H]1COC(=O)O1)c1ccc([N+](=O)[O-])cc1	ZINC000752346419	639173876	/nfs/dbraw/zinc/17/38/76/639173876.db2.gz	HBHAOWJMZQTWAQ-OJIASSBASA-N	0	0	307.258	2.077	10	5		DEBERN
CCOC(=O)[C@H](CC1CC1)NC(=O)c1cc(C)cc([N+](=O)[O-])c1	ZINC000752382502	639177185	/nfs/dbraw/zinc/17/71/85/639177185.db2.gz	JGENFAFGDTYGML-AWEZNQCLSA-N	0	0	320.345	2.365	10	5		DEBERN
C/C(=C/C(=O)N(C)Cc1cnccn1)c1ccc([N+](=O)[O-])cc1	ZINC000752411087	639181726	/nfs/dbraw/zinc/18/17/26/639181726.db2.gz	IUHDJUHZKGCZAA-XFXZXTDPSA-N	0	0	312.329	2.447	10	5		DEBERN
C/C(=C\C(=O)N(C)C[C@H](O)C1CC1)c1ccc([N+](=O)[O-])cc1	ZINC000752524191	639193829	/nfs/dbraw/zinc/19/38/29/639193829.db2.gz	KUORJFLSWBCBCC-GDXASINISA-N	0	0	304.346	2.227	10	5		DEBERN
C/C(=C\C(=O)NC[C@@H](O)c1ccco1)c1ccc([N+](=O)[O-])cc1	ZINC000752558228	639196480	/nfs/dbraw/zinc/19/64/80/639196480.db2.gz	FDUYDTAPRICIDV-CFRMROPGSA-N	0	0	316.313	2.441	10	5		DEBERN
CC(=CC(=O)N1CCc2c[nH]nc2C1)c1ccc([N+](=O)[O-])cc1	ZINC000752641048	639204993	/nfs/dbraw/zinc/20/49/93/639204993.db2.gz	KKOSLMVXESBCJS-DHZHZOJOSA-N	0	0	312.329	2.306	10	5		DEBERN
CC(C)OC(=O)[C@@H]1CCCN1c1nc2ccccn2c1[N+](=O)[O-]	ZINC000752946077	639239436	/nfs/dbraw/zinc/23/94/36/639239436.db2.gz	XCQDGBIELIZWMO-NSHDSACASA-N	0	0	318.333	2.163	10	5		DEBERN
CC(C)[C@@H](OC(=O)c1cc(F)ccc1[N+](=O)[O-])C(=O)N(C)C	ZINC000729709212	640829951	/nfs/dbraw/zinc/82/99/51/640829951.db2.gz	QYFQTABXDIDOCB-GFCCVEGCSA-N	0	0	312.297	2.004	10	5		DEBERN
C[C@H](C(=O)N1CCO[C@@H](C(F)F)C1)c1cccc([N+](=O)[O-])c1	ZINC000801009663	645329896	/nfs/dbraw/zinc/32/98/96/645329896.db2.gz	RIAMGEZGQBUATF-JOYOIKCWSA-N	0	0	314.288	2.191	10	5		DEBERN
O=[N+]([O-])c1ccc(OCCCN2CCO[C@H](C(F)F)C2)cc1	ZINC000801563682	645415701	/nfs/dbraw/zinc/41/57/01/645415701.db2.gz	GSDRRKDIAIHOAX-ZDUSSCGKSA-N	0	0	316.304	2.330	10	5		DEBERN
CCn1ccnc1Cn1c(C)nc([N+](=O)[O-])c1Br	ZINC000171414211	646700577	/nfs/dbraw/zinc/70/05/77/646700577.db2.gz	XPBRNQZPQFTTOD-UHFFFAOYSA-N	0	0	314.143	2.127	10	5		DEBERN
Cc1c(C(=O)O[C@@H](C)C2CC2)nnn1-c1cccc([N+](=O)[O-])c1	ZINC000171495483	646703027	/nfs/dbraw/zinc/70/30/27/646703027.db2.gz	ANBKECCJBFWRDM-JTQLQIEISA-N	0	0	316.317	2.439	10	5		DEBERN
CCO[C@@H]1C[C@H](OC(=O)Cn2cc([N+](=O)[O-])cn2)C12CCCC2	ZINC000172672609	646747229	/nfs/dbraw/zinc/74/72/29/646747229.db2.gz	IITMFFNBECKGCH-OLZOCXBDSA-N	0	0	323.349	2.072	10	5		DEBERN
CC[C@H](Cc1ccccc1)OC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000174546454	646815027	/nfs/dbraw/zinc/81/50/27/646815027.db2.gz	BMVFFUMTBXJSPS-CYBMUJFWSA-N	0	0	303.318	2.356	10	5		DEBERN
CCc1cccc(CC(=O)OCCn2c(C)ncc2[N+](=O)[O-])c1	ZINC000152913158	647299653	/nfs/dbraw/zinc/29/96/53/647299653.db2.gz	YNFLYFLCMBMSPY-UHFFFAOYSA-N	0	0	317.345	2.448	10	5		DEBERN
CCCC(=O)NCC(=O)Oc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000105764461	651206033	/nfs/dbraw/zinc/20/60/33/651206033.db2.gz	WKDFACACYVJYBP-UHFFFAOYSA-N	0	0	300.698	2.070	10	5		DEBERN
CC(=O)N1CSC[C@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1	ZINC000349878114	685321066	/nfs/dbraw/zinc/32/10/66/685321066.db2.gz	KWWAACJMRORGPD-NSHDSACASA-N	0	0	320.330	2.239	10	5		DEBERN
O=C(CCn1cc([N+](=O)[O-])cn1)OCCCOC1CCCC1	ZINC000077941640	683957642	/nfs/dbraw/zinc/95/76/42/683957642.db2.gz	JOKSSIPNOQAZLD-UHFFFAOYSA-N	0	0	311.338	2.074	10	5		DEBERN
O=C(OCc1ccc([N+](=O)[O-])cc1)c1cnn2c1CCCC2	ZINC000125644746	684147513	/nfs/dbraw/zinc/14/75/13/684147513.db2.gz	YNMDZORRSJKCSQ-UHFFFAOYSA-N	0	0	301.302	2.485	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCC1(C)OCCO1	ZINC000588454387	777217649	/nfs/dbraw/zinc/21/76/49/777217649.db2.gz	XXMOWDLPJMGQHI-VAWYXSNFSA-N	0	0	320.345	2.267	10	5		DEBERN
Nc1c(Cl)cc(C(=O)NC[C@@H]2CCCCO2)cc1[N+](=O)[O-]	ZINC000050706302	1078476492	/nfs/dbraw/zinc/47/64/92/1078476492.db2.gz	GLSRLLJHBOCDJO-VIFPVBQESA-N	0	0	313.741	2.129	10	5		DEBERN
C[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1(C)CC1	ZINC000706194436	1082088288	/nfs/dbraw/zinc/08/82/88/1082088288.db2.gz	CBZZKFSAHAARKO-QMMMGPOBSA-N	0	0	302.327	2.201	10	5		DEBERN
CCn1nc(C)c([N+](=O)[O-])c1NC[C@@]1(OC)CCSC1	ZINC000719241959	1091976219	/nfs/dbraw/zinc/97/62/19/1091976219.db2.gz	QTKJOCSKYCGQDI-LBPRGKRZSA-N	0	0	300.384	2.054	10	5		DEBERN
Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1ncc(Cl)s1	ZINC000719423061	1092175586	/nfs/dbraw/zinc/17/55/86/1092175586.db2.gz	RNQJAPCRDCPNCM-UHFFFAOYSA-N	0	0	312.738	2.217	10	5		DEBERN
CC1(NC(=O)CCn2cc([N+](=O)[O-])cn2)CCC(F)(F)CC1	ZINC000612064990	361736741	/nfs/dbraw/zinc/73/67/41/361736741.db2.gz	VPZXBDMDCNBZIQ-UHFFFAOYSA-N	0	0	316.308	2.266	10	5		DEBERN
CC[C@@H](NC(=O)N[C@H](CO)C(C)C)c1cccc([N+](=O)[O-])c1	ZINC000079037128	185147946	/nfs/dbraw/zinc/14/79/46/185147946.db2.gz	RJYYUPJKMVBTMH-ZIAGYGMSSA-N	0	0	309.366	2.362	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCn2cccc2[C@@H]1C	ZINC000171019092	282167397	/nfs/dbraw/zinc/16/73/97/282167397.db2.gz	XIFOWPBKQRZIAO-NSHDSACASA-N	0	0	300.318	2.317	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCOc2cc(F)ccc21	ZINC000118280244	282167546	/nfs/dbraw/zinc/16/75/46/282167546.db2.gz	SANPDGVOHSONON-UHFFFAOYSA-N	0	0	317.276	2.477	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCSc2ccncc21	ZINC000124886958	282167663	/nfs/dbraw/zinc/16/76/63/282167663.db2.gz	KZKICKVKPSQOOC-UHFFFAOYSA-N	0	0	316.342	2.446	10	5		DEBERN
CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(CCO)CC1	ZINC000188056493	529541307	/nfs/dbraw/zinc/54/13/07/529541307.db2.gz	WYVIUPMZKSHMBF-AWEZNQCLSA-N	0	0	320.389	2.442	10	5		DEBERN
COC(=O)CCN(C)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000087835275	185233169	/nfs/dbraw/zinc/23/31/69/185233169.db2.gz	RPRSUFFCXWGIGK-UHFFFAOYSA-N	0	0	317.139	2.357	10	5		DEBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)c1ccc(C)c(F)c1	ZINC000088233809	185243133	/nfs/dbraw/zinc/24/31/33/185243133.db2.gz	VGTORAZOJKPQNM-SNVBAGLBSA-N	0	0	320.324	2.425	10	5		DEBERN
CC[C@@H](NC(=O)CCCC(=O)N(C)C)c1cccc([N+](=O)[O-])c1	ZINC000177808466	282208986	/nfs/dbraw/zinc/20/89/86/282208986.db2.gz	DTCIVGWFGCYKTN-CQSZACIVSA-N	0	0	321.377	2.421	10	5		DEBERN
CC[C@H](NC(=O)c1ccc(OC)nn1)c1cccc([N+](=O)[O-])c1	ZINC000090466594	185297925	/nfs/dbraw/zinc/29/79/25/185297925.db2.gz	JBHIVSBQUBINOT-LBPRGKRZSA-N	0	0	316.317	2.275	10	5		DEBERN
CC1(C)CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC(C)(C)C1	ZINC000613432219	362111200	/nfs/dbraw/zinc/11/12/00/362111200.db2.gz	HMTHYGQHWNGLTQ-UHFFFAOYSA-N	0	0	306.366	2.351	10	5		DEBERN
CC[C@H](NC(=O)NC[C@H](O)C(C)C)c1cccc([N+](=O)[O-])c1	ZINC000090689634	185309871	/nfs/dbraw/zinc/30/98/71/185309871.db2.gz	AUUQHJBMCXBZTR-KBPBESRZSA-N	0	0	309.366	2.362	10	5		DEBERN
O=[N+]([O-])c1cccc(-c2noc(CNCC(F)(F)F)n2)c1	ZINC000092442584	185318819	/nfs/dbraw/zinc/31/88/19/185318819.db2.gz	QSTUKEGJEVBKQV-UHFFFAOYSA-N	0	0	302.212	2.297	10	5		DEBERN
COc1nc(C)cc(=O)n1Cc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000092836152	185345122	/nfs/dbraw/zinc/34/51/22/185345122.db2.gz	JUTRPDFGKVXODB-UHFFFAOYSA-N	0	0	309.709	2.170	10	5		DEBERN
CC(C)NC(=O)c1ccc(NCC2(CCO)CC2)c([N+](=O)[O-])c1	ZINC000186162499	282269013	/nfs/dbraw/zinc/26/90/13/282269013.db2.gz	BCLJKPYWKCSSCA-UHFFFAOYSA-N	0	0	321.377	2.308	10	5		DEBERN
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CC(F)F)C1CC1	ZINC000106896284	185460853	/nfs/dbraw/zinc/46/08/53/185460853.db2.gz	TWVAOBVBKNYJRW-UHFFFAOYSA-N	0	0	320.317	2.321	10	5		DEBERN
O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(-n2cncn2)c1	ZINC000115314800	185675048	/nfs/dbraw/zinc/67/50/48/185675048.db2.gz	KKHBKGSCOFMUHU-UHFFFAOYSA-N	0	0	309.285	2.428	10	5		DEBERN
CC(C)(CCO)Nc1ncc(Br)cc1[N+](=O)[O-]	ZINC000142251032	186031681	/nfs/dbraw/zinc/03/16/81/186031681.db2.gz	WJMKIPZYEDWUAU-UHFFFAOYSA-N	0	0	304.144	2.325	10	5		DEBERN
CNc1nc(OC)nc(Oc2cc([N+](=O)[O-])ccc2Cl)n1	ZINC000148602119	186044814	/nfs/dbraw/zinc/04/48/14/186044814.db2.gz	SCWQMHHORMXUOX-UHFFFAOYSA-N	0	0	311.685	2.276	10	5		DEBERN
Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(F)c2)cc1	ZINC000149016238	186046687	/nfs/dbraw/zinc/04/66/87/186046687.db2.gz	FKPSHCDHXMOCBP-UHFFFAOYSA-N	0	0	311.294	2.117	10	5		DEBERN
CS(=O)(=O)[C@@H]1CCC[C@H]1Nc1cc(F)ccc1[N+](=O)[O-]	ZINC000148929917	186047230	/nfs/dbraw/zinc/04/72/30/186047230.db2.gz	KCYBXPCWXMMLER-BXKDBHETSA-N	0	0	302.327	2.112	10	5		DEBERN
CCCc1cc(=O)[nH]c(Sc2cccc(N)c2[N+](=O)[O-])n1	ZINC000149546456	186051167	/nfs/dbraw/zinc/05/11/67/186051167.db2.gz	XCESAXFZDQEUKU-UHFFFAOYSA-N	0	0	306.347	2.364	10	5		DEBERN
Cn1nc2c3cc([N+](=O)[O-])cc(Br)c3[nH]cc-2c1=O	ZINC000072237348	191081067	/nfs/dbraw/zinc/08/10/67/191081067.db2.gz	LYBQXMDOGNIBIU-UHFFFAOYSA-N	0	0	323.106	2.086	10	5		DEBERN
CCNc1nc(OC)nc(Sc2ccc([N+](=O)[O-])cc2)n1	ZINC000150187272	186055711	/nfs/dbraw/zinc/05/57/11/186055711.db2.gz	NEDDKNDVCNDODF-UHFFFAOYSA-N	0	0	307.335	2.371	10	5		DEBERN
Nc1cccc(S(=O)(=O)Cc2cc(F)ccc2[N+](=O)[O-])c1	ZINC000150228290	186056257	/nfs/dbraw/zinc/05/62/57/186056257.db2.gz	FBBAPFNYNUNJET-UHFFFAOYSA-N	0	0	310.306	2.290	10	5		DEBERN
CCc1ccc(C(=O)N2[C@H](C)CN(C)C[C@@H]2C)cc1[N+](=O)[O-]	ZINC000155708268	186104911	/nfs/dbraw/zinc/10/49/11/186104911.db2.gz	LAVKZBDVKLOWGX-TXEJJXNPSA-N	0	0	305.378	2.322	10	5		DEBERN
CC(C)[C@@H](O)CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1	ZINC000172629793	198128705	/nfs/dbraw/zinc/12/87/05/198128705.db2.gz	IWWWRPGXZYATKA-HNNXBMFYSA-N	0	0	323.393	2.234	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C)(C)C1	ZINC000173938019	198271206	/nfs/dbraw/zinc/27/12/06/198271206.db2.gz	MYFPCZWXJUKNOM-UHFFFAOYSA-N	0	0	314.363	2.024	10	5		DEBERN
CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CSC(=O)N1	ZINC000073046336	191273772	/nfs/dbraw/zinc/27/37/72/191273772.db2.gz	ZKSNINYJYXOVSO-GFCCVEGCSA-N	0	0	323.374	2.157	10	5		DEBERN
CCN(CC)C(=O)[C@H]1CCCN1c1ncc(C)cc1[N+](=O)[O-]	ZINC000078659857	355272787	/nfs/dbraw/zinc/27/27/87/355272787.db2.gz	OFUDRBBOAQRFQF-GFCCVEGCSA-N	0	0	306.366	2.135	10	5		DEBERN
Cc1cc(N[C@H]2CCCN(c3cnn(C)c3)C2)ncc1[N+](=O)[O-]	ZINC000080605868	355374613	/nfs/dbraw/zinc/37/46/13/355374613.db2.gz	XUWIBJYGMCZWQQ-LBPRGKRZSA-N	0	0	316.365	2.113	10	5		DEBERN
Cc1nc(Nc2ccc3n[nH]c(C(N)=O)c3c2)ccc1[N+](=O)[O-]	ZINC000089651981	355540662	/nfs/dbraw/zinc/54/06/62/355540662.db2.gz	AGKOSDQUMATIIF-UHFFFAOYSA-N	0	0	312.289	2.017	10	5		DEBERN
Cc1nn(C)c(C)c1CCCNC(=O)c1csc([N+](=O)[O-])c1	ZINC000182221184	356115622	/nfs/dbraw/zinc/11/56/22/356115622.db2.gz	CFUFCVTVCKMAMO-UHFFFAOYSA-N	0	0	322.390	2.369	10	5		DEBERN
NC(=O)c1coc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1	ZINC000193314356	356224231	/nfs/dbraw/zinc/22/42/31/356224231.db2.gz	LIRBYSGQPZFUMO-OAHLLOKOSA-N	0	0	315.329	2.454	10	5		DEBERN
CC(C)(C)OC(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CO1	ZINC000199478022	356265607	/nfs/dbraw/zinc/26/56/07/356265607.db2.gz	HTONGEVUVJEIRS-CHWSQXEVSA-N	0	0	308.334	2.429	10	5		DEBERN
CCOC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)cn2ncnc12	ZINC000584881221	357324152	/nfs/dbraw/zinc/32/41/52/357324152.db2.gz	YZNAZLBEKTULIH-UHFFFAOYSA-N	0	0	312.285	2.481	10	5		DEBERN
CC(=O)c1ccc([N+](=O)[O-])cc1N(C)Cc1cnn(C)c1C	ZINC000588834139	357426967	/nfs/dbraw/zinc/42/69/67/357426967.db2.gz	FLBGHNUNRAHSMK-UHFFFAOYSA-N	0	0	302.334	2.476	10	5		DEBERN
C[C@@H]1C[C@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)CC(C)(C)C1	ZINC000180489983	199165799	/nfs/dbraw/zinc/16/57/99/199165799.db2.gz	SGYRHDYGTYHLMF-NEPJUHHUSA-N	0	0	308.382	2.370	10	5		DEBERN
CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H](O)C(F)(F)C1	ZINC000596428576	358684853	/nfs/dbraw/zinc/68/48/53/358684853.db2.gz	ARRXOAUMWVHKKW-GFCCVEGCSA-N	0	0	300.261	2.004	10	5		DEBERN
CC(=O)c1cc(N2CC[C@@H](O)C(F)(F)C2)ccc1[N+](=O)[O-]	ZINC000596433166	358685815	/nfs/dbraw/zinc/68/58/15/358685815.db2.gz	SOMXLJUWWXHLNN-GFCCVEGCSA-N	0	0	300.261	2.004	10	5		DEBERN
CO[C@@H]1CN(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC[C@H]1C	ZINC000187363393	200101762	/nfs/dbraw/zinc/10/17/62/200101762.db2.gz	FDSPSDLRRVVUHQ-BXUZGUMPSA-N	0	0	307.350	2.161	10	5		DEBERN
O=C(N[C@@H]1CCC[C@@H]1CCO)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000187826805	200162240	/nfs/dbraw/zinc/16/22/40/200162240.db2.gz	WGUQKAPGQAHTSR-QMTHXVAHSA-N	0	0	317.345	2.357	10	5		DEBERN
O=C(N[C@H]1CCC[C@H]1CCO)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000187826886	200162315	/nfs/dbraw/zinc/16/23/15/200162315.db2.gz	WGUQKAPGQAHTSR-HZMBPMFUSA-N	0	0	317.345	2.357	10	5		DEBERN
C=C/C(C)=C\CC(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1	ZINC000601781296	360145520	/nfs/dbraw/zinc/14/55/20/360145520.db2.gz	VENPKCXBAQOYEE-LJEUOOAZSA-N	0	0	304.346	2.441	10	5		DEBERN
COc1cc(C(=O)N(C)[C@@H](CO)CC(C)C)cc([N+](=O)[O-])c1C	ZINC000190378687	200526648	/nfs/dbraw/zinc/52/66/48/200526648.db2.gz	PFNXFSAZURIDFM-CYBMUJFWSA-N	0	0	324.377	2.391	10	5		DEBERN
CCS(=O)(=O)C1CCN(Cc2csc([N+](=O)[O-])c2)CC1	ZINC000193247000	201013903	/nfs/dbraw/zinc/01/39/03/201013903.db2.gz	BAFNHHLCHMJTSB-UHFFFAOYSA-N	0	0	318.420	2.055	10	5		DEBERN
CC(C)OC(=O)[C@@H]1CCCN1C(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000610240866	361371619	/nfs/dbraw/zinc/37/16/19/361371619.db2.gz	AACOMJBHZOYFRJ-AWEZNQCLSA-N	0	0	320.345	2.080	10	5		DEBERN
COc1ccc([N+](=O)[O-])c(N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1	ZINC000610282962	361379778	/nfs/dbraw/zinc/37/97/78/361379778.db2.gz	SWTPZVHPQANGGW-IMSIIYSGSA-N	0	0	305.334	2.025	10	5		DEBERN
CC(C)c1n[nH]c(C(=O)NC[C@H](C)c2ccncc2)c1[N+](=O)[O-]	ZINC000610923950	361492936	/nfs/dbraw/zinc/49/29/36/361492936.db2.gz	WZXJTLRHMGREBB-JTQLQIEISA-N	0	0	317.349	2.370	10	5		DEBERN
Cc1cc(CN(C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)no1	ZINC000611257196	361563656	/nfs/dbraw/zinc/56/36/56/361563656.db2.gz	FZINSRFAKCSWRT-UHFFFAOYSA-N	0	0	319.317	2.294	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CCN(CC(F)(F)F)CC2)n1	ZINC000611615632	361645141	/nfs/dbraw/zinc/64/51/41/361645141.db2.gz	PSANHUXGGAYOTN-UHFFFAOYSA-N	0	0	318.299	2.291	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CCC(Cn3ccnn3)CC2)n1	ZINC000611617359	361645483	/nfs/dbraw/zinc/64/54/83/361645483.db2.gz	IWIUJMROCDTUFU-UHFFFAOYSA-N	0	0	316.365	2.115	10	5		DEBERN
CC[C@@H]1CN(c2cc(OC)ccc2[N+](=O)[O-])C[C@]2(CCOC2)O1	ZINC000619504163	363814441	/nfs/dbraw/zinc/81/44/41/363814441.db2.gz	HMESBLWFXLUGKK-WBMJQRKESA-N	0	0	322.361	2.378	10	5		DEBERN
CCN1CC[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1=O	ZINC000619794506	363877508	/nfs/dbraw/zinc/87/75/08/363877508.db2.gz	BYYWSFVWGLDAHC-ZDUSSCGKSA-N	0	0	300.318	2.176	10	5		DEBERN
COCCCOCCN(C)C(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000091153488	193007772	/nfs/dbraw/zinc/00/77/72/193007772.db2.gz	GCQJQUDPNDOXCQ-UHFFFAOYSA-N	0	0	316.379	2.090	10	5		DEBERN
CCc1c(N)nnn1-c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000093327664	193233002	/nfs/dbraw/zinc/23/30/02/193233002.db2.gz	IHIMKBTYTKHXBO-UHFFFAOYSA-N	0	0	301.228	2.339	10	5		DEBERN
Cc1ccc(CN2CC[C@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-]	ZINC000093611732	193274675	/nfs/dbraw/zinc/27/46/75/193274675.db2.gz	JYTXRWLMTLICGN-GFCCVEGCSA-N	0	0	304.268	2.402	10	5		DEBERN
CCC(CC)Oc1cc(C)c(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000094676052	193391330	/nfs/dbraw/zinc/39/13/30/193391330.db2.gz	SPMFDGYAIYNXJI-UHFFFAOYSA-N	0	0	302.352	2.118	10	5		DEBERN
CC(C)S(=O)(=O)CCN[C@@H](C)c1ccccc1[N+](=O)[O-]	ZINC000271788561	209215286	/nfs/dbraw/zinc/21/52/86/209215286.db2.gz	UGDIFVYSMSRCCJ-NSHDSACASA-N	0	0	300.380	2.069	10	5		DEBERN
CCCN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1	ZINC000021809876	182292270	/nfs/dbraw/zinc/29/22/70/182292270.db2.gz	OXURSAYTPFSCPE-UHFFFAOYSA-N	0	0	311.769	2.416	10	5		DEBERN
CC(=O)c1c(C)cccc1NC(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000157611868	291632443	/nfs/dbraw/zinc/63/24/43/291632443.db2.gz	MNVVRZXHHHGQOU-UHFFFAOYSA-N	0	0	316.317	2.331	10	5		DEBERN
O=C(NCc1cc(-c2ccco2)on1)c1ccc([N+](=O)[O-])o1	ZINC000038750487	183008334	/nfs/dbraw/zinc/00/83/34/183008334.db2.gz	OQFAXFIJBWXUQE-UHFFFAOYSA-N	0	0	303.230	2.366	10	5		DEBERN
CN(C)N=c1nc[nH]c(Nc2ccc(F)c(F)c2)c1[N+](=O)[O-]	ZINC000040628970	183111135	/nfs/dbraw/zinc/11/11/35/183111135.db2.gz	NCRPAHOUPVGKGG-UHFFFAOYSA-N	0	0	310.264	2.295	10	5		DEBERN
O=C(Nc1ccc(Br)cc1[N+](=O)[O-])c1cn[nH]c1	ZINC000040834509	183140306	/nfs/dbraw/zinc/14/03/06/183140306.db2.gz	BALJWAJIUVGJEQ-UHFFFAOYSA-N	0	0	311.095	2.333	10	5		DEBERN
CN(C)S(=O)(=O)Nc1cccc(-c2cccc([N+](=O)[O-])c2)c1	ZINC000041565177	183203756	/nfs/dbraw/zinc/20/37/56/183203756.db2.gz	VGPKIVFIGSNFGL-UHFFFAOYSA-N	0	0	321.358	2.480	10	5		DEBERN
Cc1nn(Cc2cccc([N+](=O)[O-])c2)c(N)c1Br	ZINC000043668456	183378271	/nfs/dbraw/zinc/37/82/71/183378271.db2.gz	JVNOPPODHMYYKO-UHFFFAOYSA-N	0	0	311.139	2.493	10	5		DEBERN
Cc1ncc(CN(C)C(=O)c2cc([N+](=O)[O-])cnc2C)s1	ZINC000046771174	183568039	/nfs/dbraw/zinc/56/80/39/183568039.db2.gz	CJEVTGYOWXYNMW-UHFFFAOYSA-N	0	0	306.347	2.335	10	5		DEBERN
O=[N+]([O-])c1c(Cl)ncnc1N(CCO)C1CCCCC1	ZINC000050455661	183786837	/nfs/dbraw/zinc/78/68/37/183786837.db2.gz	AVGUHUVXBQCNRD-UHFFFAOYSA-N	0	0	300.746	2.170	10	5		DEBERN
C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1cc(N)ccc1[N+](=O)[O-]	ZINC000050635622	183793032	/nfs/dbraw/zinc/79/30/32/183793032.db2.gz	CXNJVHQOGBLRMU-UWVGGRQHSA-N	0	0	313.379	2.129	10	5		DEBERN
CCN(CC(C)C)S(=O)(=O)c1ccc(NC)c([N+](=O)[O-])c1	ZINC000050652227	183794560	/nfs/dbraw/zinc/79/45/60/183794560.db2.gz	DSYDWLJSGNMZGH-UHFFFAOYSA-N	0	0	315.395	2.303	10	5		DEBERN
C[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2N)C1	ZINC000050653683	183795074	/nfs/dbraw/zinc/79/50/74/183795074.db2.gz	IWXUYEYSFIGBNX-NXEZZACHSA-N	0	0	313.379	2.034	10	5		DEBERN
CCn1cc(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)cn1	ZINC000050702898	183801062	/nfs/dbraw/zinc/80/10/62/183801062.db2.gz	JDZMDIPAQBZGRD-UHFFFAOYSA-N	0	0	309.713	2.299	10	5		DEBERN
O=C(Nc1ncc[nH]1)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000110918581	194369119	/nfs/dbraw/zinc/36/91/19/194369119.db2.gz	FLMQPSIDQWOPHC-UHFFFAOYSA-N	0	0	311.095	2.333	10	5		DEBERN
Cc1nc2cc(N[C@H]3CCC(=O)NC3)c([N+](=O)[O-])cc2s1	ZINC000111021800	194384685	/nfs/dbraw/zinc/38/46/85/194384685.db2.gz	HPHWEQMPLKTSMG-QMMMGPOBSA-N	0	0	306.347	2.203	10	5		DEBERN
C[C@@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1	ZINC000157413664	197185137	/nfs/dbraw/zinc/18/51/37/197185137.db2.gz	PKHIFIVAHCHYSO-ZCFIWIBFSA-N	0	0	310.784	2.483	10	5		DEBERN
CCN[C@H](CCOc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)OC	ZINC000062595631	184244253	/nfs/dbraw/zinc/24/42/53/184244253.db2.gz	JEQSTLCYMCYROD-LLVKDONJSA-N	0	0	316.741	2.168	10	5		DEBERN
O=C1COc2cc([N+](=O)[O-])c(NCCC(F)(F)F)cc2N1	ZINC000063100609	184270652	/nfs/dbraw/zinc/27/06/52/184270652.db2.gz	SOZKZIFSQYVKGM-UHFFFAOYSA-N	0	0	305.212	2.290	10	5		DEBERN
CC(C)[NH2+][C@@](C)(COc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-]	ZINC000069507934	184520743	/nfs/dbraw/zinc/52/07/43/184520743.db2.gz	GAAKREWAMDQFAE-ZDUSSCGKSA-N	0	0	316.741	2.468	10	5		DEBERN
O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@@]2(CC=CCC2)C1	ZINC000114439688	194656755	/nfs/dbraw/zinc/65/67/55/194656755.db2.gz	HUPXOOQPKMQGSA-HNNXBMFYSA-N	0	0	304.350	2.140	10	5		DEBERN
O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1ccc(F)c([N+](=O)[O-])c1	ZINC000005179309	285012057	/nfs/dbraw/zinc/01/20/57/285012057.db2.gz	BRQWJRXWXQPCLC-XXHBBNRNSA-N	0	0	302.261	2.045	10	5		DEBERN
C[C@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)CO1	ZINC000119861530	195051471	/nfs/dbraw/zinc/05/14/71/195051471.db2.gz	WKZQAGBYWHJMSN-UWVGGRQHSA-N	0	0	303.318	2.326	10	5		DEBERN
CC(=O)c1cc(N2CCN(CC(F)F)CC2)ccc1[N+](=O)[O-]	ZINC000286137900	218810422	/nfs/dbraw/zinc/81/04/22/218810422.db2.gz	GZSCYUOGWMCRCZ-UHFFFAOYSA-N	0	0	313.304	2.185	10	5		DEBERN
COC(=O)C(C)(C)CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000158339370	197264481	/nfs/dbraw/zinc/26/44/81/197264481.db2.gz	DGUDDGCAWVCTFE-UHFFFAOYSA-N	0	0	319.317	2.005	10	5		DEBERN
CCCNc1sc(S(=O)(=O)NC(C)C)cc1[N+](=O)[O-]	ZINC000157546523	197196413	/nfs/dbraw/zinc/19/64/13/197196413.db2.gz	SZMCESYVRGFDFL-UHFFFAOYSA-N	0	0	307.397	2.165	10	5		DEBERN
COc1cnccc1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000189528859	533148825	/nfs/dbraw/zinc/14/88/25/533148825.db2.gz	KWZFIZQGFYHFEO-JTQLQIEISA-N	0	0	301.302	2.489	10	5		DEBERN
COC(=O)[C@@]12CCC[C@@H]1CN(c1ccc([N+](=O)[O-])c(C)n1)C2	ZINC000302156125	533153903	/nfs/dbraw/zinc/15/39/03/533153903.db2.gz	IVACQZVSQQKDIV-IAQYHMDHSA-N	0	0	305.334	2.078	10	5		DEBERN
COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)[C@@H]1CCCO1	ZINC000156112579	197087997	/nfs/dbraw/zinc/08/79/97/197087997.db2.gz	NTVSMUUJXRENQU-CABZTGNLSA-N	0	0	309.322	2.292	10	5		DEBERN
CCOc1ccc(C(=O)N2[C@H](C)CN(C)C[C@H]2C)cc1[N+](=O)[O-]	ZINC000155509138	197061863	/nfs/dbraw/zinc/06/18/63/197061863.db2.gz	YLJBNUOYLHDKQV-VXGBXAGGSA-N	0	0	321.377	2.158	10	5		DEBERN
C[C@@H]1CC[C@H](C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)O1	ZINC000155631349	197073888	/nfs/dbraw/zinc/07/38/88/197073888.db2.gz	KYALZEKCSOHJNJ-ZWNOBZJWSA-N	0	0	316.317	2.287	10	5		DEBERN
C[C@@H]1CN(C)C[C@H](C)N1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1	ZINC000155238480	197036207	/nfs/dbraw/zinc/03/62/07/197036207.db2.gz	ZWYOCZYCFSMJKA-AOOOYVTPSA-N	0	0	311.769	2.413	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC1(C)CCC1	ZINC000121846710	195359898	/nfs/dbraw/zinc/35/98/98/195359898.db2.gz	IZEHKHUGILDAQJ-UHFFFAOYSA-N	0	0	319.361	2.457	10	5		DEBERN
COc1cccc(CNC(=O)c2c(C)cccc2[N+](=O)[O-])n1	ZINC000194507236	533509124	/nfs/dbraw/zinc/50/91/24/533509124.db2.gz	YSDGNWVJEXEABT-UHFFFAOYSA-N	0	0	301.302	2.237	10	5		DEBERN
Cc1csc([C@H]2CN(c3ccc([N+](=O)[O-])cn3)CCO2)n1	ZINC000195313657	132546526	/nfs/dbraw/zinc/54/65/26/132546526.db2.gz	BAYAGUVGGPHVQY-LLVKDONJSA-N	0	0	306.347	2.333	10	5		DEBERN
O=[N+]([O-])c1c(NCC[C@H](O)C(F)(F)F)nc2sccn21	ZINC000357915906	133109301	/nfs/dbraw/zinc/10/93/01/133109301.db2.gz	QLWKVIRJPVFPGU-YFKPBYRVSA-N	0	0	310.257	2.029	10	5		DEBERN
COc1ccc(NC(=O)N(C)Cc2cnccn2)cc1[N+](=O)[O-]	ZINC000360387700	133179212	/nfs/dbraw/zinc/17/92/12/133179212.db2.gz	GXHCWKTXJQSDEH-UHFFFAOYSA-N	0	0	317.305	2.057	10	5		DEBERN
Nc1ccc(NC[C@H]2CCC3(CCOCC3)[C@@H]2O)c([N+](=O)[O-])c1	ZINC000376390657	133292931	/nfs/dbraw/zinc/29/29/31/133292931.db2.gz	FLCUMADJNPQYIJ-IAQYHMDHSA-N	0	0	321.377	2.157	10	5		DEBERN
O=Cc1ccc(OCC(=O)N2CCCC23CCC3)c([N+](=O)[O-])c1	ZINC000373116558	133378571	/nfs/dbraw/zinc/37/85/71/133378571.db2.gz	XNINPKGXMAVMQV-UHFFFAOYSA-N	0	0	318.329	2.331	10	5		DEBERN
O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](C2CC2)C1	ZINC000547950784	285658300	/nfs/dbraw/zinc/65/83/00/285658300.db2.gz	ODUMYBRHHYLHMY-AWEZNQCLSA-N	0	0	322.386	2.324	10	5		DEBERN
Cc1cc(OCC(=O)NCCOCC2CCC2)ccc1[N+](=O)[O-]	ZINC000563853128	292076399	/nfs/dbraw/zinc/07/63/99/292076399.db2.gz	PUHDTULKVDJWRZ-UHFFFAOYSA-N	0	0	322.361	2.215	10	5		DEBERN
CNC(=O)[C@H](NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)C(C)C	ZINC000188058835	145006354	/nfs/dbraw/zinc/00/63/54/145006354.db2.gz	DHTVJBNQYJZTDV-CQSZACIVSA-N	0	0	321.377	2.219	10	5		DEBERN
COc1cnccc1[C@@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000189681526	145031933	/nfs/dbraw/zinc/03/19/33/145031933.db2.gz	PYAQDTYPPXMOKY-LLVKDONJSA-N	0	0	315.329	2.418	10	5		DEBERN
Cc1nn(C)c(C)c1CCNC(=O)c1c(C)cccc1[N+](=O)[O-]	ZINC000193305113	145084302	/nfs/dbraw/zinc/08/43/02/145084302.db2.gz	OGQUBXYWSCHLPF-UHFFFAOYSA-N	0	0	316.361	2.226	10	5		DEBERN
O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[C@@H]2C2CC2)c1	ZINC000372131630	148173286	/nfs/dbraw/zinc/17/32/86/148173286.db2.gz	IHYLXLCUMINKFR-CQSZACIVSA-N	0	0	310.375	2.299	10	5		DEBERN
O=C(OC[C@@H]1CCCCC1=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000001594278	401709349	/nfs/dbraw/zinc/70/93/49/401709349.db2.gz	ZZBJKCKTPRDLER-VIFPVBQESA-N	0	0	322.273	2.419	10	5		DEBERN
CCC(C)(CC)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC	ZINC000113294393	401775415	/nfs/dbraw/zinc/77/54/15/401775415.db2.gz	BNKIAYCOXIQZAO-UHFFFAOYSA-N	0	0	316.379	2.460	10	5		DEBERN
CSCCCCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21	ZINC000119112737	401926929	/nfs/dbraw/zinc/92/69/29/401926929.db2.gz	UVPLEUMHCWRDRI-UHFFFAOYSA-N	0	0	308.363	2.344	10	5		DEBERN
Cc1ccc(NC(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cc1[N+](=O)[O-]	ZINC000119147505	401929035	/nfs/dbraw/zinc/92/90/35/401929035.db2.gz	FMIPDDSRPRZIBI-WDEREUQCSA-N	0	0	320.349	2.021	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@H](Oc2cccnc2)C1	ZINC000135785227	401953350	/nfs/dbraw/zinc/95/33/50/401953350.db2.gz	GOEQESHUKJDBAC-NSHDSACASA-N	0	0	319.342	2.345	10	5		DEBERN
C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCc1ccnn1C	ZINC000120591473	401995487	/nfs/dbraw/zinc/99/54/87/401995487.db2.gz	CKJBMFAHQJQUJD-LLVKDONJSA-N	0	0	314.345	2.239	10	5		DEBERN
COc1ccc(OCc2cccc([N+](=O)[O-])c2)c(C(N)=O)c1	ZINC000051969721	402038120	/nfs/dbraw/zinc/03/81/20/402038120.db2.gz	HUYASOMLPNZIJD-UHFFFAOYSA-N	0	0	302.286	2.281	10	5		DEBERN
Cc1cccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C)n1	ZINC000055277017	402079078	/nfs/dbraw/zinc/07/90/78/402079078.db2.gz	FOFJTTRADWDXGI-UHFFFAOYSA-N	0	0	321.358	2.085	10	5		DEBERN
O=C1[C@@H]2CC=CC[C@H]2C(=O)N1Cc1c(F)cccc1[N+](=O)[O-]	ZINC000103462750	402189359	/nfs/dbraw/zinc/18/93/59/402189359.db2.gz	RQGMQEAMWMCAIP-NXEZZACHSA-N	0	0	304.277	2.185	10	5		DEBERN
Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1ccco1	ZINC000184639263	402286551	/nfs/dbraw/zinc/28/65/51/402286551.db2.gz	OHWNRSYTJYGKLO-LLVKDONJSA-N	0	0	302.290	2.142	10	5		DEBERN
O=C(C/C=C/c1ccc(F)cc1)NCCn1cc([N+](=O)[O-])cn1	ZINC000156994083	402291039	/nfs/dbraw/zinc/29/10/39/402291039.db2.gz	ZWVOXMCZRIYHJU-OWOJBTEDSA-N	0	0	318.308	2.150	10	5		DEBERN
CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000158288984	402304109	/nfs/dbraw/zinc/30/41/09/402304109.db2.gz	FLSMRVJMQAJVKL-NSHDSACASA-N	0	0	309.366	2.007	10	5		DEBERN
CCCNC(=O)CCNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1	ZINC000177549006	402415149	/nfs/dbraw/zinc/41/51/49/402415149.db2.gz	PGBYCWNZVNCULV-UHFFFAOYSA-N	0	0	323.349	2.018	10	5		DEBERN
Cc1ccc(C[C@H](C)N(C)C(=O)c2n[nH]cc2[N+](=O)[O-])cc1	ZINC000162649450	402427319	/nfs/dbraw/zinc/42/73/19/402427319.db2.gz	UXBRMNHVSYIQNI-NSHDSACASA-N	0	0	302.334	2.330	10	5		DEBERN
Cc1ccc([C@@H](C)NCc2cc(C(N)=O)co2)cc1[N+](=O)[O-]	ZINC000187726751	402510070	/nfs/dbraw/zinc/51/00/70/402510070.db2.gz	FEZBHMYIAXIZFP-SNVBAGLBSA-N	0	0	303.318	2.446	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(Sc2nnnn2-c2ccccc2)n1	ZINC000178146747	402465174	/nfs/dbraw/zinc/46/51/74/402465174.db2.gz	SCRCIGZECXJZST-UHFFFAOYSA-N	0	0	314.330	2.425	10	5		DEBERN
COc1ccccc1[C@@H](O)CNc1nc(C)ccc1[N+](=O)[O-]	ZINC000178171259	402467663	/nfs/dbraw/zinc/46/76/63/402467663.db2.gz	XARCHRCLJADKOR-ZDUSSCGKSA-N	0	0	303.318	2.452	10	5		DEBERN
O=C(NCCOc1ccc(F)cc1F)c1ccc([N+](=O)[O-])o1	ZINC000170951488	402544200	/nfs/dbraw/zinc/54/42/00/402544200.db2.gz	NJLKSOFLBODMIQ-UHFFFAOYSA-N	0	0	312.228	2.275	10	5		DEBERN
C[C@@H]1C[C@@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000171070996	402554847	/nfs/dbraw/zinc/55/48/47/402554847.db2.gz	APJINFFMCAHQCB-YPMHNXCESA-N	0	0	303.362	2.336	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(CCO)cc1	ZINC000171104472	402558232	/nfs/dbraw/zinc/55/82/32/402558232.db2.gz	PULSUXKDKNHDNK-UHFFFAOYSA-N	0	0	301.302	2.085	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)n1	ZINC000248672764	402602688	/nfs/dbraw/zinc/60/26/88/402602688.db2.gz	RJSVGTNVZNXJSX-QJPTWQEYSA-N	0	0	306.366	2.462	10	5		DEBERN
CC[C@@H](CSC)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000180153137	402608962	/nfs/dbraw/zinc/60/89/62/402608962.db2.gz	JXRRSDZFZVWHCL-QMMMGPOBSA-N	0	0	324.449	2.418	10	5		DEBERN
CC(C)[C@H](C)CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21	ZINC000172578484	402663745	/nfs/dbraw/zinc/66/37/45/402663745.db2.gz	DPEIAHOXCYPXFF-SNVBAGLBSA-N	0	0	317.345	2.458	10	5		DEBERN
COC(=O)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1C)CC(C)C	ZINC000172646586	402668418	/nfs/dbraw/zinc/66/84/18/402668418.db2.gz	ZAEPQCIGGCNYSJ-LBPRGKRZSA-N	0	0	322.361	2.468	10	5		DEBERN
COC(=O)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1C)CC(C)C	ZINC000172646579	402668479	/nfs/dbraw/zinc/66/84/79/402668479.db2.gz	ZAEPQCIGGCNYSJ-GFCCVEGCSA-N	0	0	322.361	2.468	10	5		DEBERN
CCS(=O)(=O)C[C@H](C)N(C)Cc1ccc([N+](=O)[O-])cc1C	ZINC000183348770	402758519	/nfs/dbraw/zinc/75/85/19/402758519.db2.gz	BHHSTZYAOLRQIY-LBPRGKRZSA-N	0	0	314.407	2.158	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1c1nncn1C	ZINC000183382222	402762190	/nfs/dbraw/zinc/76/21/90/402762190.db2.gz	CWNUTXIXJWRTEU-CQSZACIVSA-N	0	0	301.350	2.369	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1NC(=O)COCc1cc(C)no1	ZINC000193279824	402769452	/nfs/dbraw/zinc/76/94/52/402769452.db2.gz	JYHLVUUPQYPDBP-UHFFFAOYSA-N	0	0	321.289	2.055	10	5		DEBERN
Cc1csc([C@H]2CN(c3ncccc3[N+](=O)[O-])CCO2)n1	ZINC000195313702	402841637	/nfs/dbraw/zinc/84/16/37/402841637.db2.gz	BHTUKBOWBNQEOP-LLVKDONJSA-N	0	0	306.347	2.333	10	5		DEBERN
Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@H]1c1ccccc1	ZINC000184460041	402845189	/nfs/dbraw/zinc/84/51/89/402845189.db2.gz	MGUPRGJIALAELM-AAEUAGOBSA-N	0	0	312.329	2.106	10	5		DEBERN
CC(=O)c1ccc(N[C@@H](CO)C[C@H](O)C(C)(C)C)c([N+](=O)[O-])c1	ZINC000286301941	403494055	/nfs/dbraw/zinc/49/40/55/403494055.db2.gz	DRZZSBHRHJLCPV-DOMZBBRYSA-N	0	0	324.377	2.367	10	5		DEBERN
NC(=O)c1cc([N+](=O)[O-])cnc1NCCCNc1ccccc1	ZINC000301168239	403596680	/nfs/dbraw/zinc/59/66/80/403596680.db2.gz	SJIJWCXJVNLDMT-UHFFFAOYSA-N	0	0	315.333	2.003	10	5		DEBERN
C[C@@H]1CC[C@@H](C)N(c2nc3ccccn3c(=O)c2[N+](=O)[O-])C1	ZINC000301411696	403625934	/nfs/dbraw/zinc/62/59/34/403625934.db2.gz	ADTJNEFBKGFSEV-GHMZBOCLSA-N	0	0	302.334	2.228	10	5		DEBERN
COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CCC[C@H](C(N)=O)C2)c1	ZINC000301487254	403635772	/nfs/dbraw/zinc/63/57/72/403635772.db2.gz	YKAZYJLSDAKRHT-IUCAKERBSA-N	0	0	311.313	2.199	10	5		DEBERN
O=C1CCC(=O)N1C1CCC(Nc2ccccc2[N+](=O)[O-])CC1	ZINC000301824292	403686658	/nfs/dbraw/zinc/68/66/58/403686658.db2.gz	IGCXMIZDCWYERZ-UHFFFAOYSA-N	0	0	317.345	2.467	10	5		DEBERN
C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCO[C@]2(CCOC2)C1	ZINC000347386288	403689334	/nfs/dbraw/zinc/68/93/34/403689334.db2.gz	XWYUUELOCFRKFI-RKCSUWQLSA-N	0	0	318.373	2.489	10	5		DEBERN
CC(C)(C)[C@H](O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000295078286	403752634	/nfs/dbraw/zinc/75/26/34/403752634.db2.gz	WNMLAASYPTXQFT-LLVKDONJSA-N	0	0	300.742	2.385	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CC[C@@H](C1)O2	ZINC000368817921	403868422	/nfs/dbraw/zinc/86/84/22/403868422.db2.gz	OICXXKUNSUPQMW-OGQTVDGUSA-N	0	0	302.330	2.388	10	5		DEBERN
CC(=O)N1CCC[C@H]1C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C	ZINC000291878275	404563640	/nfs/dbraw/zinc/56/36/40/404563640.db2.gz	QDDADJHLIIJYMT-ZDUSSCGKSA-N	0	0	305.334	2.161	10	5		DEBERN
O=C(c1ccccc1[N+](=O)[O-])N1CC(O)(c2ccc(F)cc2)C1	ZINC000375886983	404765642	/nfs/dbraw/zinc/76/56/42/404765642.db2.gz	AYJNSNGSRQDGFS-UHFFFAOYSA-N	0	0	316.288	2.078	10	5		DEBERN
C[C@@H]1[C@@H](C(F)(F)F)CCN1c1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000359887111	404807809	/nfs/dbraw/zinc/80/78/09/404807809.db2.gz	OIYQMOWECGJWHL-APPZFPTMSA-N	0	0	317.267	2.471	10	5		DEBERN
CO[C@@H]1[C@H]2C[C@H]3CN(c4nc(C)cc(C)c4[N+](=O)[O-])[C@H]1[C@H]3C2	ZINC000408110989	405115169	/nfs/dbraw/zinc/11/51/69/405115169.db2.gz	XVEYMTHNDNXGLS-ZCRGAIPPSA-N	0	0	303.362	2.466	10	5		DEBERN
C/C=C/C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)OCC	ZINC000361532356	405118664	/nfs/dbraw/zinc/11/86/64/405118664.db2.gz	GCRIGFWEDIBGOB-LYKUJDHUSA-N	0	0	320.345	2.151	10	5		DEBERN
Cc1c(F)cc(S(=O)(=O)N2CCC23CCC3)cc1[N+](=O)[O-]	ZINC000408314590	405170603	/nfs/dbraw/zinc/17/06/03/405170603.db2.gz	BKQHSKQOELHKPN-UHFFFAOYSA-N	0	0	314.338	2.359	10	5		DEBERN
CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H](C(C)(C)C)[C@H](O)C1	ZINC000408332110	405174982	/nfs/dbraw/zinc/17/49/82/405174982.db2.gz	UVHFXPQOTCDADY-NWDGAFQWSA-N	0	0	310.398	2.353	10	5		DEBERN
CN(CC1CC1)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1	ZINC000448731857	405442498	/nfs/dbraw/zinc/44/24/98/405442498.db2.gz	AADHQOPYDJQBJC-UHFFFAOYSA-N	0	0	300.318	2.263	10	5		DEBERN
CO[C@@H]1CC[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000451107394	406052949	/nfs/dbraw/zinc/05/29/49/406052949.db2.gz	IMUPFLZEWYOKMA-TZMCWYRMSA-N	0	0	320.345	2.241	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2CCc3nccn3C2)n1	ZINC000548723313	406544786	/nfs/dbraw/zinc/54/47/86/406544786.db2.gz	QZAXWCSSCVXGHC-LBPRGKRZSA-N	0	0	301.350	2.478	10	5		DEBERN
NC(=O)c1c(Br)cc([N+](=O)[O-])cc1OC(F)F	ZINC000575683283	406818007	/nfs/dbraw/zinc/81/80/07/406818007.db2.gz	PCZSUYFKWLYCFV-UHFFFAOYSA-N	0	0	311.038	2.058	10	5		DEBERN
CCOC(=O)Cc1cc(OC)c([N+](=O)[O-])cc1Br	ZINC000575700702	406820752	/nfs/dbraw/zinc/82/07/52/406820752.db2.gz	XGCQAUVSSKQIDU-UHFFFAOYSA-N	0	0	318.123	2.472	10	5		DEBERN
C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C	ZINC000131251427	196154142	/nfs/dbraw/zinc/15/41/42/196154142.db2.gz	ZVMMPMOPEQRAFH-IUCAKERBSA-N	0	0	302.327	2.010	10	5		DEBERN
Cc1ccc(CO)cc1NC(=O)c1cc([N+](=O)[O-])cnc1C	ZINC000131864438	196205717	/nfs/dbraw/zinc/20/57/17/196205717.db2.gz	RZAQYUVOTLELSX-UHFFFAOYSA-N	0	0	301.302	2.351	10	5		DEBERN
C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)C1	ZINC000131988535	196216143	/nfs/dbraw/zinc/21/61/43/196216143.db2.gz	RKWSFVALCFJZTM-DTWKUNHWSA-N	0	0	302.327	2.201	10	5		DEBERN
CCNc1nnc(Cn2nc(CC)c([N+](=O)[O-])c2CC)s1	ZINC000131986898	196216531	/nfs/dbraw/zinc/21/65/31/196216531.db2.gz	NJTCRHJJFYLYTH-UHFFFAOYSA-N	0	0	310.383	2.248	10	5		DEBERN
CCNc1cc(S(=O)(=O)N[C@@H]2CC2(C)C)ccc1[N+](=O)[O-]	ZINC000132133789	196228696	/nfs/dbraw/zinc/22/86/96/196228696.db2.gz	BTNAAUBXFLLFKP-GFCCVEGCSA-N	0	0	313.379	2.103	10	5		DEBERN
CNc1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C)ccc1[N+](=O)[O-]	ZINC000132595227	196268967	/nfs/dbraw/zinc/26/89/67/196268967.db2.gz	ZRWJEEYCTZJXBS-GXSJLCMTSA-N	0	0	313.379	2.103	10	5		DEBERN
C[C@@H](CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[S@@](C)=O	ZINC000132911988	196296121	/nfs/dbraw/zinc/29/61/21/196296121.db2.gz	CUCVDCJNVNXCRR-FHZGZLOMSA-N	0	0	318.782	2.135	10	5		DEBERN
Cc1ccc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])o3)CCO2)o1	ZINC000133920475	196346042	/nfs/dbraw/zinc/34/60/42/196346042.db2.gz	SEICOHXRZOSFIB-LBPRGKRZSA-N	0	0	306.274	2.303	10	5		DEBERN
CS[C@@H](C)CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000134250026	196374133	/nfs/dbraw/zinc/37/41/33/196374133.db2.gz	YPKPKIOYDJCFGD-QMMMGPOBSA-N	0	0	322.383	2.154	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1-c1noc([C@H]2CSCC2=O)n1	ZINC000134759005	196418017	/nfs/dbraw/zinc/41/80/17/196418017.db2.gz	MQKDNVCZSJFJAY-JTQLQIEISA-N	0	0	305.315	2.353	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](OC)C2(CC)CC)n1	ZINC000191675221	225115009	/nfs/dbraw/zinc/11/50/09/225115009.db2.gz	LIZAWLNETHIXSX-RYUDHWBXSA-N	0	0	324.381	2.135	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NC(C)(C)c2ncc(C)s2)n1	ZINC000191659152	225115553	/nfs/dbraw/zinc/11/55/53/225115553.db2.gz	JLCSCIBPIXALQQ-UHFFFAOYSA-N	0	0	323.378	2.241	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCO[C@@H]2CC(C)C)n1	ZINC000191716625	225116368	/nfs/dbraw/zinc/11/63/68/225116368.db2.gz	PJASYAVPBJLROX-WCQYABFASA-N	0	0	324.381	2.135	10	5		DEBERN
Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(CO)c(F)c1	ZINC000194854125	225191833	/nfs/dbraw/zinc/19/18/33/225191833.db2.gz	IVDVIUKBWCQLDL-UHFFFAOYSA-N	0	0	318.304	2.465	10	5		DEBERN
Cc1cc(NC[C@@H]2CN(C)CCO2)c2cccc([N+](=O)[O-])c2n1	ZINC000302047513	230062936	/nfs/dbraw/zinc/06/29/36/230062936.db2.gz	YVOZQETYKZXMNV-GFCCVEGCSA-N	0	0	316.361	2.194	10	5		DEBERN
CSc1ccc(C(=O)N2CCN(C3CC3)CC2)cc1[N+](=O)[O-]	ZINC000195131921	424880180	/nfs/dbraw/zinc/88/01/80/424880180.db2.gz	VNSHFEDDYJYAOQ-UHFFFAOYSA-N	0	0	321.402	2.237	10	5		DEBERN
Cc1cccc(CNC(=O)NCc2cccc([N+](=O)[O-])c2)n1	ZINC000195270662	424881341	/nfs/dbraw/zinc/88/13/41/424881341.db2.gz	KCGGLTGNMCONGZ-UHFFFAOYSA-N	0	0	300.318	2.298	10	5		DEBERN
COC(=O)c1cc(C)nc(NCc2ccoc2C)c1[N+](=O)[O-]	ZINC000587434204	424993559	/nfs/dbraw/zinc/99/35/59/424993559.db2.gz	PXNZRHBBZOQSOK-UHFFFAOYSA-N	0	0	305.290	2.598	10	5		DEBERN
Cc1nc(NCCOCc2ccc(Cl)cc2)ncc1[N+](=O)[O-]	ZINC000450404066	425072522	/nfs/dbraw/zinc/07/25/22/425072522.db2.gz	MJQIZAMOIQNSKM-UHFFFAOYSA-N	0	0	322.752	2.975	10	5		DEBERN
CC1(C)CC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)O1	ZINC000187334871	267658906	/nfs/dbraw/zinc/65/89/06/267658906.db2.gz	HJKDRGRZQVSODX-ZDUSSCGKSA-N	0	0	308.334	2.047	10	5		DEBERN
CC1(C)CC[C@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])O1	ZINC000187358752	267661210	/nfs/dbraw/zinc/66/12/10/267661210.db2.gz	YSCOUQKEAFSRRN-GFCCVEGCSA-N	0	0	321.377	2.471	10	5		DEBERN
C[C@@H]1CCCC[C@H]1OCCNc1ncc([N+](=O)[O-])cc1C(N)=O	ZINC000193989123	267772476	/nfs/dbraw/zinc/77/24/76/267772476.db2.gz	SJBLYBKYTMOTHH-ZWNOBZJWSA-N	0	0	322.365	2.096	10	5		DEBERN
CC(C)OC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000524048779	269470919	/nfs/dbraw/zinc/47/09/19/269470919.db2.gz	BMTGEEQGIQSLMF-AWEZNQCLSA-N	0	0	320.345	2.080	10	5		DEBERN
CN1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1=O	ZINC000362364042	277191585	/nfs/dbraw/zinc/19/15/85/277191585.db2.gz	FQFSBPACQXIRQL-UHFFFAOYSA-N	0	0	316.292	2.032	10	5		DEBERN
CC(=O)N1CCC[C@H]1C(=O)Oc1c(C)cc(C)cc1[N+](=O)[O-]	ZINC000299700604	278026634	/nfs/dbraw/zinc/02/66/34/278026634.db2.gz	XMZSYPMFJVKMBJ-LBPRGKRZSA-N	0	0	306.318	2.128	10	5		DEBERN
O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCOCC2(CC2)C1	ZINC000408177825	280158152	/nfs/dbraw/zinc/15/81/52/280158152.db2.gz	SHLDTJBSRIZXSO-UHFFFAOYSA-N	0	0	315.329	2.329	10	5		DEBERN
O=C1[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1F	ZINC000005179700	280320845	/nfs/dbraw/zinc/32/08/45/280320845.db2.gz	UAXMVZYRDNGNMX-OZVVPTBGSA-N	0	0	304.277	2.269	10	5		DEBERN
NC(=O)[C@@H]1Cc2ccccc2N1Cc1cc(F)ccc1[N+](=O)[O-]	ZINC000170644162	295134814	/nfs/dbraw/zinc/13/48/14/295134814.db2.gz	ULSPTAJHTANBES-HNNXBMFYSA-N	0	0	315.304	2.151	10	5		DEBERN
C[C@@H]1CO[C@@H](c2ccccc2)CN1c1c([N+](=O)[O-])ncn1C	ZINC000267312535	297163626	/nfs/dbraw/zinc/16/36/26/297163626.db2.gz	XJKSBTGAAQFAHV-DGCLKSJQSA-N	0	0	302.334	2.295	10	5		DEBERN
O=C(NCCOCC1CCC1)NCCc1ccccc1[N+](=O)[O-]	ZINC000574095443	326122535	/nfs/dbraw/zinc/12/25/35/326122535.db2.gz	UJFYYTVVTCSBGN-UHFFFAOYSA-N	0	0	321.377	2.253	10	5		DEBERN
O=[N+]([O-])c1cn(-c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1[N+](=O)[O-]	ZINC000584657119	337378061	/nfs/dbraw/zinc/37/80/61/337378061.db2.gz	NJPFNJAZPTXHMN-UHFFFAOYSA-N	0	0	323.177	2.110	10	5		DEBERN
NC(=O)c1cc([N+](=O)[O-])cnc1Oc1ccc2c(c1)CCC2=O	ZINC000302534339	534474550	/nfs/dbraw/zinc/47/45/50/534474550.db2.gz	MDXWEKYKCMKQOS-UHFFFAOYSA-N	0	0	313.269	2.010	10	5		DEBERN
CN(C[C@@H]1CCCO1)C(=O)CCCNc1ccc([N+](=O)[O-])cc1	ZINC000170679548	523046831	/nfs/dbraw/zinc/04/68/31/523046831.db2.gz	FSHWYFLALQDCFU-HNNXBMFYSA-N	0	0	321.377	2.424	10	5		DEBERN
CC(=O)N1CCC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1Cl	ZINC000292364112	526595685	/nfs/dbraw/zinc/59/56/85/526595685.db2.gz	QBVCURVNHBTXNL-NSHDSACASA-N	0	0	311.725	2.198	10	5		DEBERN
CC(C)OC(=O)N1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1	ZINC000301220755	527812224	/nfs/dbraw/zinc/81/22/24/527812224.db2.gz	AVWRIEHUHRIPEG-UHFFFAOYSA-N	0	0	308.338	2.411	10	5		DEBERN
CC(C)Oc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])nn1	ZINC000191315747	528197654	/nfs/dbraw/zinc/19/76/54/528197654.db2.gz	WOCXTNLNSNBEAK-UHFFFAOYSA-N	0	0	302.290	2.424	10	5		DEBERN
CCCn1c(=O)[nH]nc1SCCOc1ccccc1[N+](=O)[O-]	ZINC000053449226	535579913	/nfs/dbraw/zinc/57/99/13/535579913.db2.gz	UKLHONQMZDTOKK-UHFFFAOYSA-N	0	0	324.362	2.061	10	5		DEBERN
COc1ccc(CNC(=O)c2cccc(O)c2)cc1[N+](=O)[O-]	ZINC000357334951	536889689	/nfs/dbraw/zinc/88/96/89/536889689.db2.gz	IUMFAGXBKCDTLV-UHFFFAOYSA-N	0	0	302.286	2.239	10	5		DEBERN
O=C(CCc1cccc([N+](=O)[O-])c1)OCCN1CCCCC1=O	ZINC000121252450	622579219	/nfs/dbraw/zinc/57/92/19/622579219.db2.gz	KTYYSZSQKQSVNC-UHFFFAOYSA-N	0	0	320.345	2.083	10	5		DEBERN
O=C(NCc1ccc(CO)c(F)c1)c1cc(F)ccc1[N+](=O)[O-]	ZINC000178315482	625678132	/nfs/dbraw/zinc/67/81/32/625678132.db2.gz	JERQZQNUFAJDCH-UHFFFAOYSA-N	0	0	322.267	2.295	10	5		DEBERN
O=C(CCc1ccc(Cl)cc1)OCCn1cnc([N+](=O)[O-])n1	ZINC000176688527	624911317	/nfs/dbraw/zinc/91/13/17/624911317.db2.gz	NIOAXTMPTAAMNE-UHFFFAOYSA-N	0	0	324.724	2.016	10	5		DEBERN
CCc1cc(C(=O)OCCn2cc([N+](=O)[O-])cn2)oc1CC	ZINC000177921613	625108811	/nfs/dbraw/zinc/10/88/11/625108811.db2.gz	YGPDNEOPBGFDGH-UHFFFAOYSA-N	0	0	307.306	2.366	10	5		DEBERN
CN(CCOC(=O)[C@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1	ZINC000102708734	650164845	/nfs/dbraw/zinc/16/48/45/650164845.db2.gz	KGOGOTQNHYXDIQ-LBPRGKRZSA-N	0	0	308.334	2.001	10	5		DEBERN
C/C(=C\C(=O)N[C@@H]1CCCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1	ZINC000752601671	639201846	/nfs/dbraw/zinc/20/18/46/639201846.db2.gz	UJQBCKBXVGRAMX-UNNWNWIUSA-N	0	0	304.346	2.418	10	5		DEBERN
C/C(=C\C(=O)N[C@@H](C)c1ncon1)c1ccc([N+](=O)[O-])cc1	ZINC000752701362	639209658	/nfs/dbraw/zinc/20/96/58/639209658.db2.gz	MWGBNEBWMCKXGP-PCYYEKQGSA-N	0	0	302.290	2.259	10	5		DEBERN
C/C(=C/C(=O)N1CCC[C@@](C)(O)C1)c1ccc([N+](=O)[O-])cc1	ZINC000752718128	639210886	/nfs/dbraw/zinc/21/08/86/639210886.db2.gz	AKZVFJIEBZBLND-UILAEWCASA-N	0	0	304.346	2.372	10	5		DEBERN
Cc1cccc(CCCOC(=O)CCn2cc([N+](=O)[O-])cn2)n1	ZINC000121529025	650897635	/nfs/dbraw/zinc/89/76/35/650897635.db2.gz	XTMAEEZMLBCVLV-UHFFFAOYSA-N	0	0	318.333	2.061	10	5		DEBERN
O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCO[C@@H](C(F)F)C1	ZINC000800908732	645319721	/nfs/dbraw/zinc/31/97/21/645319721.db2.gz	ZGODIQPHPNWAGZ-SNVBAGLBSA-N	0	0	319.239	2.232	10	5		DEBERN
C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CCS1	ZINC000171577615	646706702	/nfs/dbraw/zinc/70/67/02/646706702.db2.gz	QONJMPRXBCGJJJ-JTQLQIEISA-N	0	0	309.391	2.238	10	5		DEBERN
O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@H](n2cncn2)C1	ZINC000171619312	646707540	/nfs/dbraw/zinc/70/75/40/646707540.db2.gz	XLQJGGNVKLZKOL-ZDUSSCGKSA-N	0	0	305.313	2.163	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)CC1(C)OCCO1	ZINC000154408647	648003460	/nfs/dbraw/zinc/00/34/60/648003460.db2.gz	ZWDRJWCRQDMBFW-LLVKDONJSA-N	0	0	322.361	2.422	10	5		DEBERN
CC[C@@H](NS(=O)(=O)N(C)C(C)C)c1cccc([N+](=O)[O-])c1	ZINC000175111448	648333123	/nfs/dbraw/zinc/33/31/23/648333123.db2.gz	PIJDIQBSJCBLJG-CYBMUJFWSA-N	0	0	315.395	2.221	10	5		DEBERN
C[C@@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(C)(C)C	ZINC000112363165	651511530	/nfs/dbraw/zinc/51/15/30/651511530.db2.gz	IRLYDXZMIKXRDZ-MRVPVSSYSA-N	0	0	304.343	2.447	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(CCOc2ccccc2[N+](=O)[O-])c1=O	ZINC000127320613	684162757	/nfs/dbraw/zinc/16/27/57/684162757.db2.gz	PGDKOTPBFMATTP-UHFFFAOYSA-N	0	0	319.273	2.052	10	5		DEBERN
C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@H](C)O1	ZINC000193508871	685042719	/nfs/dbraw/zinc/04/27/19/685042719.db2.gz	IXNGLFQBCWUEBA-UWVGGRQHSA-N	0	0	305.334	2.093	10	5		DEBERN
CCn1c(C)nc([N+](=O)[O-])c1Sc1nc(CO)cs1	ZINC000723384699	787343703	/nfs/dbraw/zinc/34/37/03/787343703.db2.gz	RUYHKLAFWISMPF-UHFFFAOYSA-N	0	0	300.365	2.220	10	5		DEBERN
C[C@H](CS(C)(=O)=O)Nc1ccc([N+](=O)[O-])cc1C(F)F	ZINC000081904376	192336688	/nfs/dbraw/zinc/33/66/88/192336688.db2.gz	JXKWFAMIZQHTFG-SSDOTTSWSA-N	0	0	308.306	2.377	10	5		DEBERN
Cc1nccc(N2CCN(c3sccc3[N+](=O)[O-])CC2)n1	ZINC000612663966	361885515	/nfs/dbraw/zinc/88/55/15/361885515.db2.gz	PHCORQKOBLGWOG-UHFFFAOYSA-N	0	0	305.363	2.081	10	5		DEBERN
Cc1nccc(N2CCN(c3ccsc3[N+](=O)[O-])CC2)n1	ZINC000612664284	361885531	/nfs/dbraw/zinc/88/55/31/361885531.db2.gz	DDRYGKNGCSRXKR-UHFFFAOYSA-N	0	0	305.363	2.081	10	5		DEBERN
CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000088198100	185241813	/nfs/dbraw/zinc/24/18/13/185241813.db2.gz	LRHAJXPDRUSKRP-LBPRGKRZSA-N	0	0	315.333	2.014	10	5		DEBERN
CC[C@H](NC(=O)c1nn(CC)cc1[N+](=O)[O-])c1ccncc1	ZINC000191632614	529582106	/nfs/dbraw/zinc/58/21/06/529582106.db2.gz	WXIIFVUMTCJQFT-NSHDSACASA-N	0	0	303.322	2.087	10	5		DEBERN
CCC[C@@H](COC)NC(=O)c1ccnc(Cl)c1[N+](=O)[O-]	ZINC000088806387	185266204	/nfs/dbraw/zinc/26/62/04/185266204.db2.gz	BPDCCRDPPXOGAU-QMMMGPOBSA-N	0	0	301.730	2.188	10	5		DEBERN
COCc1cncc(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c1	ZINC000613185758	362030718	/nfs/dbraw/zinc/03/07/18/362030718.db2.gz	LNYRDQSOOGIELO-UHFFFAOYSA-N	0	0	302.290	2.092	10	5		DEBERN
O=C(Cn1cc([N+](=O)[O-])c(C2CC2)n1)Nc1ccccc1F	ZINC000185172617	282260390	/nfs/dbraw/zinc/26/03/90/282260390.db2.gz	RIVMNLSVCOVBCW-UHFFFAOYSA-N	0	0	304.281	2.447	10	5		DEBERN
CNc1ccc(Cl)c(Cn2cc([N+](=O)[O-])c(C)cc2=O)n1	ZINC000092803097	185342603	/nfs/dbraw/zinc/34/26/03/185342603.db2.gz	RFLRYPXJQFSKDQ-UHFFFAOYSA-N	0	0	308.725	2.203	10	5		DEBERN
CCN(CC(C)(C)O)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1	ZINC000092985812	185350881	/nfs/dbraw/zinc/35/08/81/185350881.db2.gz	PWOTZABXSURJNE-UHFFFAOYSA-N	0	0	315.757	2.063	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@H](OC)C1	ZINC000187908330	282294467	/nfs/dbraw/zinc/29/44/67/282294467.db2.gz	WUUHHVUGSWSFBG-QMTHXVAHSA-N	0	0	308.334	2.100	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCOC3(CCCC3)C2)n1	ZINC000191677596	282333076	/nfs/dbraw/zinc/33/30/76/282333076.db2.gz	GTQYOEUJISSFDY-LLVKDONJSA-N	0	0	322.365	2.033	10	5		DEBERN
O=[N+]([O-])c1ccccc1S(=O)(=O)N(CC(F)F)C1CC1	ZINC000106896479	185460887	/nfs/dbraw/zinc/46/08/87/185460887.db2.gz	QPOVNTDQVHIFHV-UHFFFAOYSA-N	0	0	306.290	2.013	10	5		DEBERN
COCc1csc(NC(=O)c2cc([N+](=O)[O-])cnc2C)n1	ZINC000115246511	185669737	/nfs/dbraw/zinc/66/97/37/185669737.db2.gz	SIRJJYBROCSGNM-UHFFFAOYSA-N	0	0	308.319	2.153	10	5		DEBERN
CC(=O)c1cc(NCCCN2CCCC2=O)ccc1[N+](=O)[O-]	ZINC000286870609	219203686	/nfs/dbraw/zinc/20/36/86/219203686.db2.gz	HSQPVEQHQSEQEF-UHFFFAOYSA-N	0	0	305.334	2.222	10	5		DEBERN
CCNc1cccc(S(=O)(=O)N(CC)CC)c1[N+](=O)[O-]	ZINC000126874741	185899654	/nfs/dbraw/zinc/89/96/54/185899654.db2.gz	AHGZZMPZMMJLIZ-UHFFFAOYSA-N	0	0	301.368	2.057	10	5		DEBERN
CCCNc1cccc(S(=O)(=O)N[C@@H]2C[C@H]2C)c1[N+](=O)[O-]	ZINC000126984640	185909775	/nfs/dbraw/zinc/90/97/75/185909775.db2.gz	HIKQWQKCWGISGV-MWLCHTKSSA-N	0	0	313.379	2.103	10	5		DEBERN
CSCCCCNC(=O)CN(C)c1ccccc1[N+](=O)[O-]	ZINC000080378404	192152310	/nfs/dbraw/zinc/15/23/10/192152310.db2.gz	OVNZCOUSVLRHKJ-UHFFFAOYSA-N	0	0	311.407	2.290	10	5		DEBERN
COc1cc([N+](=O)[O-])ccc1Oc1cc(N)nc(SC)n1	ZINC000148292264	186043521	/nfs/dbraw/zinc/04/35/21/186043521.db2.gz	IJZVXOPKZVMIOV-UHFFFAOYSA-N	0	0	308.319	2.490	10	5		DEBERN
CCNc1cc(S(=O)(=O)N(C)C2CCC2)ccc1[N+](=O)[O-]	ZINC000144244446	186034940	/nfs/dbraw/zinc/03/49/40/186034940.db2.gz	WQUKIVJRPLSPLG-UHFFFAOYSA-N	0	0	313.379	2.200	10	5		DEBERN
O=[N+]([O-])c1ccc(OCc2cn3ccsc3n2)c(CO)c1	ZINC000148775718	186045518	/nfs/dbraw/zinc/04/55/18/186045518.db2.gz	YMOSIKQIPZYFQU-UHFFFAOYSA-N	0	0	305.315	2.375	10	5		DEBERN
CNc1nc(Sc2ccc([N+](=O)[O-])cc2)nc(N(C)C)n1	ZINC000150191209	186055318	/nfs/dbraw/zinc/05/53/18/186055318.db2.gz	KQGDYWSIAIRVPS-UHFFFAOYSA-N	0	0	306.351	2.039	10	5		DEBERN
Cc1noc(C)c1[C@H](C)CNC(=O)c1cc([N+](=O)[O-])cnc1C	ZINC000152751584	186099008	/nfs/dbraw/zinc/09/90/08/186099008.db2.gz	KVCRTQCUAYRUCM-MRVPVSSYSA-N	0	0	318.333	2.437	10	5		DEBERN
C[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCC1	ZINC000172244988	198064885	/nfs/dbraw/zinc/06/48/85/198064885.db2.gz	SXBZSNVCUZEOJU-SNVBAGLBSA-N	0	0	305.334	2.228	10	5		DEBERN
Cc1ccnc(N[C@@H]2CCc3nnc(C(C)C)n3C2)c1[N+](=O)[O-]	ZINC000172278177	198069856	/nfs/dbraw/zinc/06/98/56/198069856.db2.gz	KRXZQUDOFQQTED-LLVKDONJSA-N	0	0	316.365	2.440	10	5		DEBERN
C[C@H]1NC(=S)N(CCCCc2ccc([N+](=O)[O-])cc2)C1=O	ZINC000172675270	198135535	/nfs/dbraw/zinc/13/55/35/198135535.db2.gz	ZAGFWWFTIMBIMC-SNVBAGLBSA-N	0	0	307.375	2.023	10	5		DEBERN
Cn1ncnc1COc1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000172684177	198135981	/nfs/dbraw/zinc/13/59/81/198135981.db2.gz	OEFYWXNDPYFNID-UHFFFAOYSA-N	0	0	302.212	2.321	10	5		DEBERN
COCCOC[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)C1	ZINC000173147615	198188778	/nfs/dbraw/zinc/18/87/78/198188778.db2.gz	UQTDSFLEBXQRAL-CYBMUJFWSA-N	0	0	322.361	2.028	10	5		DEBERN
Cc1ccc2c(c1)[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)C2	ZINC000182219351	199405240	/nfs/dbraw/zinc/40/52/40/199405240.db2.gz	AYLIHLGSICYMQX-BDJLRTHQSA-N	0	0	314.345	2.149	10	5		DEBERN
CNC(=O)c1ccsc1NC(=O)c1ccccc1[N+](=O)[O-]	ZINC000004281797	181092718	/nfs/dbraw/zinc/09/27/18/181092718.db2.gz	DZYIYADVIJTBPA-UHFFFAOYSA-N	0	0	305.315	2.268	10	5		DEBERN
Cc1cnc(N[C@@H]2CCCN(c3cnn(C)c3)C2)c([N+](=O)[O-])c1	ZINC000078668642	355272886	/nfs/dbraw/zinc/27/28/86/355272886.db2.gz	QMBNTDCJJBSUAJ-GFCCVEGCSA-N	0	0	316.365	2.113	10	5		DEBERN
Cc1cc(N2CCC[C@H](NC(=O)C(C)C)C2)ncc1[N+](=O)[O-]	ZINC000080600315	355373688	/nfs/dbraw/zinc/37/36/88/355373688.db2.gz	HDRKIKKKEYTVGB-LBPRGKRZSA-N	0	0	306.366	2.039	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1NCC(=O)N(C)CC(F)(F)F	ZINC000080649040	355376876	/nfs/dbraw/zinc/37/68/76/355376876.db2.gz	XPOLCGGHTXDFCV-UHFFFAOYSA-N	0	0	305.256	2.336	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1N1CCN(Cc2ccon2)CC1	ZINC000080651441	355377731	/nfs/dbraw/zinc/37/77/31/355377731.db2.gz	BXFGVXJIQKJOIG-UHFFFAOYSA-N	0	0	302.334	2.213	10	5		DEBERN
CCOc1cc(NCC(=O)Nc2ccccn2)ccc1[N+](=O)[O-]	ZINC000092684611	355646761	/nfs/dbraw/zinc/64/67/61/355646761.db2.gz	UFTLNXMLMLUMPT-UHFFFAOYSA-N	0	0	316.317	2.439	10	5		DEBERN
Cc1nn(C)c(C)c1CCCNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000182276217	356118072	/nfs/dbraw/zinc/11/80/72/356118072.db2.gz	UKQJDCFVKLVMAB-UHFFFAOYSA-N	0	0	316.361	2.308	10	5		DEBERN
O=C(Nc1ccc2nncn2c1)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000181051505	356071432	/nfs/dbraw/zinc/07/14/32/356071432.db2.gz	SRGYBOFEUCZFJP-UHFFFAOYSA-N	0	0	322.284	2.371	10	5		DEBERN
Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000081163459	192231654	/nfs/dbraw/zinc/23/16/54/192231654.db2.gz	JIGADNGKNDBQNM-GFCCVEGCSA-N	0	0	316.321	2.151	10	5		DEBERN
CCOC(=O)CCCNc1cc(OC)c(F)cc1[N+](=O)[O-]	ZINC000081546621	192287768	/nfs/dbraw/zinc/28/77/68/192287768.db2.gz	BNVXDYIMPGOFPS-UHFFFAOYSA-N	0	0	300.286	2.498	10	5		DEBERN
CC[C@H](NC(=O)[C@H](C)n1cncn1)c1cccc([N+](=O)[O-])c1	ZINC000177786411	198776751	/nfs/dbraw/zinc/77/67/51/198776751.db2.gz	TYMVGFCCMMVBOL-GWCFXTLKSA-N	0	0	303.322	2.015	10	5		DEBERN
CC[C@@H](NC(=O)CCOCCOC)c1cccc([N+](=O)[O-])c1	ZINC000177783399	198776785	/nfs/dbraw/zinc/77/67/85/198776785.db2.gz	VVFPCNWDPPKCMO-CQSZACIVSA-N	0	0	310.350	2.215	10	5		DEBERN
CC[C@]1(Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CCOC1	ZINC000588041341	357390772	/nfs/dbraw/zinc/39/07/72/357390772.db2.gz	SLFAAVAXOMKBAB-AWEZNQCLSA-N	0	0	309.322	2.066	10	5		DEBERN
CC(=O)c1cc(NCC(C)(C)[C@]2(O)CCOC2)ccc1[N+](=O)[O-]	ZINC000591987365	357811040	/nfs/dbraw/zinc/81/10/40/357811040.db2.gz	JFBQYNSAMUXADD-INIZCTEOSA-N	0	0	322.361	2.387	10	5		DEBERN
CCc1n[nH]c(C(=O)N(CC)CCc2nccs2)c1[N+](=O)[O-]	ZINC000179282340	199009488	/nfs/dbraw/zinc/00/94/88/199009488.db2.gz	WKCPFYNXFRMDLS-UHFFFAOYSA-N	0	0	323.378	2.042	10	5		DEBERN
NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CCc2ccc(F)cc21	ZINC000301213014	283368192	/nfs/dbraw/zinc/36/81/92/283368192.db2.gz	YBIDOZBBSVFQHB-CYBMUJFWSA-N	0	0	316.292	2.327	10	5		DEBERN
CCOC(=O)c1cc(N(C)C[C@@H]2CCCO2)ccc1[N+](=O)[O-]	ZINC000185830789	199892850	/nfs/dbraw/zinc/89/28/50/199892850.db2.gz	XAHYSGGZMDVDNM-LBPRGKRZSA-N	0	0	308.334	2.387	10	5		DEBERN
CC(=O)N1CC[C@@H](CNc2ccc3cnccc3c2[N+](=O)[O-])C1	ZINC000599084963	359398894	/nfs/dbraw/zinc/39/88/94/359398894.db2.gz	GYSPEJOETDUXAS-LBPRGKRZSA-N	0	0	314.345	2.423	10	5		DEBERN
CSc1ccc(C(=O)N(C)CC2(CO)CC2)cc1[N+](=O)[O-]	ZINC000189132342	200353625	/nfs/dbraw/zinc/35/36/25/200353625.db2.gz	ZDLPSIFCXQPGPK-UHFFFAOYSA-N	0	0	310.375	2.161	10	5		DEBERN
C[C@@H]1OCC[C@H]1S(=O)(=O)Oc1cc([N+](=O)[O-])ccc1Cl	ZINC000190207319	200501251	/nfs/dbraw/zinc/50/12/51/200501251.db2.gz	IUZRNQOHLOETMX-WRWORJQWSA-N	0	0	321.738	2.134	10	5		DEBERN
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc2[nH+]ccn2c1	ZINC000610032904	361354681	/nfs/dbraw/zinc/35/46/81/361354681.db2.gz	UIQMHFSNJIAFFH-UHFFFAOYSA-N	0	0	318.314	2.043	10	5		DEBERN
C[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccncc1	ZINC000610518464	361415203	/nfs/dbraw/zinc/41/52/03/361415203.db2.gz	QSTDVXCOTNWNLZ-LLVKDONJSA-N	0	0	321.358	2.072	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(NCCCN2CCCCC2=O)n1	ZINC000611616378	361645512	/nfs/dbraw/zinc/64/55/12/361645512.db2.gz	JITOLYOCDMNNPQ-UHFFFAOYSA-N	0	0	306.366	2.421	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(NC[C@H](C(C)C)N2CCOCC2)n1	ZINC000611615757	361645559	/nfs/dbraw/zinc/64/55/59/361645559.db2.gz	YJAGOYYALALAJK-CQSZACIVSA-N	0	0	322.409	2.375	10	5		DEBERN
CC(C)c1nn(C)c(NCCOCC(F)(F)F)c1[N+](=O)[O-]	ZINC000091578399	193074826	/nfs/dbraw/zinc/07/48/26/193074826.db2.gz	GDJYXYOUBVHROE-UHFFFAOYSA-N	0	0	310.276	2.443	10	5		DEBERN
Cc1nc2cc(NCc3c[nH]nc3N)c([N+](=O)[O-])cc2s1	ZINC000093436625	193251153	/nfs/dbraw/zinc/25/11/53/193251153.db2.gz	YWBDVIBNSWZLEV-UHFFFAOYSA-N	0	0	304.335	2.430	10	5		DEBERN
[NH3+][C@]1(C(=O)[O-])CCC[C@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)C1	ZINC000093775061	193305015	/nfs/dbraw/zinc/30/50/15/193305015.db2.gz	NQNNQZVZUSMSEC-TVQRCGJNSA-N	0	0	314.725	2.352	10	5		DEBERN
C[C@](N)(c1nc(-c2cccc([N+](=O)[O-])c2)no1)C(F)(F)F	ZINC000094223341	193351086	/nfs/dbraw/zinc/35/10/86/193351086.db2.gz	AEXVRXQFOKFOTK-JTQLQIEISA-N	0	0	302.212	2.381	10	5		DEBERN
CCOC(=O)[C@H](N)CCSCc1ccc([N+](=O)[O-])c(F)c1	ZINC000094774020	193396591	/nfs/dbraw/zinc/39/65/91/193396591.db2.gz	DFUHIKCXLZPSCT-LLVKDONJSA-N	0	0	316.354	2.248	10	5		DEBERN
CNc1cc(C)c(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-]	ZINC000094780409	193397850	/nfs/dbraw/zinc/39/78/50/193397850.db2.gz	IOEVDJMFHLWXTB-UHFFFAOYSA-N	0	0	301.368	2.022	10	5		DEBERN
CC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1C)C(C)C	ZINC000094780585	193397869	/nfs/dbraw/zinc/39/78/69/193397869.db2.gz	LBYHQTOCDSPSDK-NSHDSACASA-N	0	0	315.395	2.198	10	5		DEBERN
COC(=O)c1cc(N[C@H]2C[C@H](O)C2(C)C)cc(C)c1[N+](=O)[O-]	ZINC000274981359	212056235	/nfs/dbraw/zinc/05/62/35/212056235.db2.gz	BTYQKFGHNWXKSI-RYUDHWBXSA-N	0	0	308.334	2.261	10	5		DEBERN
CO[C@]1(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)CCSC1	ZINC000096364345	193615997	/nfs/dbraw/zinc/61/59/97/193615997.db2.gz	KRTMENBLFOXFGB-AWEZNQCLSA-N	0	0	310.375	2.155	10	5		DEBERN
O=c1[nH]c2ccc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2[nH]1	ZINC000020666673	182241985	/nfs/dbraw/zinc/24/19/85/182241985.db2.gz	YTIAJLKPDVTEAU-UHFFFAOYSA-N	0	0	315.245	2.416	10	5		DEBERN
Cn1c(Sc2ccc([N+](=O)[O-])cn2)nc2ccccc2c1=O	ZINC000023616753	182363775	/nfs/dbraw/zinc/36/37/75/182363775.db2.gz	NHJWCQFSEGMOOS-UHFFFAOYSA-N	0	0	314.326	2.388	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])cc1F)N1CCCC[C@@H]1c1nc[nH]n1	ZINC000179357489	296227109	/nfs/dbraw/zinc/22/71/09/296227109.db2.gz	UDTOSTZRPZHGGN-GFCCVEGCSA-N	0	0	319.296	2.219	10	5		DEBERN
COC(=O)[C@H](C)Nc1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000159824003	197367341	/nfs/dbraw/zinc/36/73/41/197367341.db2.gz	KCFRRAXQXQXWSB-YFKPBYRVSA-N	0	0	321.102	2.470	10	5		DEBERN
CCOc1ccc(C(=O)N[C@@H]2CCO[C@H]2CC)cc1[N+](=O)[O-]	ZINC000458318657	248261003	/nfs/dbraw/zinc/26/10/03/248261003.db2.gz	ZVGPRYUGDQULDM-YPMHNXCESA-N	0	0	308.334	2.291	10	5		DEBERN
COc1cc(NC(=O)c2ccccn2)c([N+](=O)[O-])cc1OC	ZINC000041567406	183203454	/nfs/dbraw/zinc/20/34/54/183203454.db2.gz	IIPOJQXUTNLAJY-UHFFFAOYSA-N	0	0	303.274	2.259	10	5		DEBERN
COc1cc(NC(=O)c2ccncc2)c([N+](=O)[O-])cc1OC	ZINC000041569069	183204292	/nfs/dbraw/zinc/20/42/92/183204292.db2.gz	UBYDZPDGRDSEJR-UHFFFAOYSA-N	0	0	303.274	2.259	10	5		DEBERN
Cc1c(CS(=O)(=O)c2ccc(N)cc2)cccc1[N+](=O)[O-]	ZINC000042193360	183240594	/nfs/dbraw/zinc/24/05/94/183240594.db2.gz	YXAJCQGIIJVCQG-UHFFFAOYSA-N	0	0	306.343	2.459	10	5		DEBERN
COC[C@@H](O)CN(C)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1	ZINC000042516713	183279432	/nfs/dbraw/zinc/27/94/32/183279432.db2.gz	RFVPYDIRUKMENR-VIFPVBQESA-N	0	0	308.256	2.057	10	5		DEBERN
Nc1c([N+](=O)[O-])cnn1Cc1ccccc1OC(F)(F)F	ZINC000043669467	183378215	/nfs/dbraw/zinc/37/82/15/183378215.db2.gz	NXESTGDOUPAVCV-UHFFFAOYSA-N	0	0	302.212	2.320	10	5		DEBERN
CCOC(=O)/C=C(\C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000104691184	194027394	/nfs/dbraw/zinc/02/73/94/194027394.db2.gz	HXMBBDDDQVBHEO-SOFGYWHQSA-N	0	0	312.709	2.445	10	5		DEBERN
CCOc1cccc(CCNC(=O)c2cc([N+](=O)[O-])cn2C)c1	ZINC000532764233	284726472	/nfs/dbraw/zinc/72/64/72/284726472.db2.gz	IDTRXOFDWVTQBM-UHFFFAOYSA-N	0	0	317.345	2.305	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1csc(CN)n1	ZINC000159771491	197362216	/nfs/dbraw/zinc/36/22/16/197362216.db2.gz	WFWCTZMMAAPJJN-UHFFFAOYSA-N	0	0	306.347	2.379	10	5		DEBERN
C[C@H]1CCC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N)C1	ZINC000050653669	183795013	/nfs/dbraw/zinc/79/50/13/183795013.db2.gz	ISXFEYVGSWUHPL-UWVGGRQHSA-N	0	0	313.379	2.034	10	5		DEBERN
CCNc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](C)C2)c1	ZINC000050669608	183796666	/nfs/dbraw/zinc/79/66/66/183796666.db2.gz	MABUETGVFVBNPO-JTQLQIEISA-N	0	0	313.379	2.057	10	5		DEBERN
CNc1ccc(S(=O)(=O)N(C)CCC(C)C)c([N+](=O)[O-])c1	ZINC000050676914	183799656	/nfs/dbraw/zinc/79/96/56/183799656.db2.gz	FASZJHMSMOLZSF-UHFFFAOYSA-N	0	0	315.395	2.303	10	5		DEBERN
CN(C[C@H]1CCCO1)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1	ZINC000050708277	183801383	/nfs/dbraw/zinc/80/13/83/183801383.db2.gz	KOPQUDYFBBCTMW-SECBINFHSA-N	0	0	313.741	2.081	10	5		DEBERN
CC1CCC(CO)(Nc2ncnc(Cl)c2[N+](=O)[O-])CC1	ZINC000053128429	183889754	/nfs/dbraw/zinc/88/97/54/183889754.db2.gz	MSPWQXFLOKUXRJ-UHFFFAOYSA-N	0	0	300.746	2.391	10	5		DEBERN
CCOC(=O)CN(C(=O)c1cc([N+](=O)[O-])c(C)s1)C(C)C	ZINC000060540667	184151763	/nfs/dbraw/zinc/15/17/63/184151763.db2.gz	KMINKMVRSFSVHW-UHFFFAOYSA-N	0	0	314.363	2.378	10	5		DEBERN
CC[NH2+][C@@H](CCOc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000062595806	184244141	/nfs/dbraw/zinc/24/41/41/184244141.db2.gz	LVEQRQVOFWTBSH-VIFPVBQESA-N	0	0	302.714	2.080	10	5		DEBERN
CCC[NH2+][C@@H](CCOc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000062595795	184244485	/nfs/dbraw/zinc/24/44/85/184244485.db2.gz	UWEVQQNPFPXIHJ-JTQLQIEISA-N	0	0	316.741	2.470	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2ccccc2)s1	ZINC000064240293	184293303	/nfs/dbraw/zinc/29/33/03/184293303.db2.gz	IILWQPRNZLTICE-UHFFFAOYSA-N	0	0	312.372	2.177	10	5		DEBERN
CCN(Cc1cnn(C)c1)C(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000065908169	184382712	/nfs/dbraw/zinc/38/27/12/184382712.db2.gz	FSBZTMHOERHHON-UHFFFAOYSA-N	0	0	308.363	2.361	10	5		DEBERN
Cc1cnc(OCc2cc(-c3cnn(C)c3)no2)c([N+](=O)[O-])c1	ZINC000184016956	207364009	/nfs/dbraw/zinc/36/40/09/207364009.db2.gz	HNSDAQXESKSLLK-UHFFFAOYSA-N	0	0	315.289	2.266	10	5		DEBERN
C[C@@H](CS(C)(=O)=O)N(Cc1csc([N+](=O)[O-])c1)C1CC1	ZINC000113263128	194574273	/nfs/dbraw/zinc/57/42/73/194574273.db2.gz	CZTDURVYSDWVMX-VIFPVBQESA-N	0	0	318.420	2.054	10	5		DEBERN
CCNc1sc(S(=O)(=O)N(C)C(C)C)cc1[N+](=O)[O-]	ZINC000157553787	197196207	/nfs/dbraw/zinc/19/62/07/197196207.db2.gz	HSNSTDXVZZEGIQ-UHFFFAOYSA-N	0	0	307.397	2.117	10	5		DEBERN
Cc1csc([C@@H](C)NC(=O)c2cccc(N)c2[N+](=O)[O-])n1	ZINC000157050664	197157959	/nfs/dbraw/zinc/15/79/59/197157959.db2.gz	AZRKALSARVFMFM-MRVPVSSYSA-N	0	0	306.347	2.433	10	5		DEBERN
CC[C@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1	ZINC000125410187	195745830	/nfs/dbraw/zinc/74/58/30/195745830.db2.gz	RTFJBFCSZTUYPC-QMMMGPOBSA-N	0	0	319.408	2.192	10	5		DEBERN
COC(=O)[C@H]1CC[C@@H](Nc2cc(OC)cc(F)c2[N+](=O)[O-])C1	ZINC000302862566	533457496	/nfs/dbraw/zinc/45/74/96/533457496.db2.gz	RHKSKUJIDLZAKV-DTWKUNHWSA-N	0	0	312.297	2.496	10	5		DEBERN
COC(=O)[C@]12CCC[C@H]1CN(c1ccc([N+](=O)[O-])c(OC)c1)C2	ZINC000302206845	533641215	/nfs/dbraw/zinc/64/12/15/533641215.db2.gz	XIDYGLWYDISQNT-ZBEGNZNMSA-N	0	0	320.345	2.383	10	5		DEBERN
Cc1ccc([C@@H](C)NC(=O)NCCc2cn[nH]c2)cc1[N+](=O)[O-]	ZINC000357957495	133112312	/nfs/dbraw/zinc/11/23/12/133112312.db2.gz	LYZLIKCOROEPKS-LLVKDONJSA-N	0	0	317.349	2.229	10	5		DEBERN
Nc1ccc(NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)c([N+](=O)[O-])c1	ZINC000376390659	133292942	/nfs/dbraw/zinc/29/29/42/133292942.db2.gz	FLCUMADJNPQYIJ-XHDPSFHLSA-N	0	0	321.377	2.157	10	5		DEBERN
C[C@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@H](C(=O)C2CC2)C1	ZINC000547842850	285649015	/nfs/dbraw/zinc/64/90/15/285649015.db2.gz	LLNDSWUYDKCRHG-ABAIWWIYSA-N	0	0	304.346	2.336	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1nnc(C(C)C)n1C	ZINC000183473171	144929344	/nfs/dbraw/zinc/92/93/44/144929344.db2.gz	SCWBERYDRIMXAF-UHFFFAOYSA-N	0	0	317.349	2.085	10	5		DEBERN
Cc1nc(CC(C)C)oc1C(=O)Nc1c([N+](=O)[O-])cnn1C	ZINC000189209895	145023842	/nfs/dbraw/zinc/02/38/42/145023842.db2.gz	KOIGQERMAMFWJK-UHFFFAOYSA-N	0	0	307.310	2.076	10	5		DEBERN
CO[C@@H]1CN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[C@H]1C	ZINC000189288273	145024996	/nfs/dbraw/zinc/02/49/96/145024996.db2.gz	HSOBZQMYWCVVQL-IUODEOHRSA-N	0	0	321.377	2.199	10	5		DEBERN
O=[N+]([O-])c1cnc(N2CCCN(c3ccccn3)CC2)s1	ZINC000192530552	145074898	/nfs/dbraw/zinc/07/48/98/145074898.db2.gz	OKGZGMMGWXBBHX-UHFFFAOYSA-N	0	0	305.363	2.163	10	5		DEBERN
COc1ccc(CSCc2nc(N(C)C)no2)cc1[N+](=O)[O-]	ZINC000358580996	147160127	/nfs/dbraw/zinc/16/01/27/147160127.db2.gz	RSFGGWZOBDGLFS-UHFFFAOYSA-N	0	0	324.362	2.486	10	5		DEBERN
O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CCCC(F)(F)C1	ZINC000359016096	147247026	/nfs/dbraw/zinc/24/70/26/147247026.db2.gz	FUBVOZYCWIYOBN-MRVPVSSYSA-N	0	0	300.265	2.111	10	5		DEBERN
C/C=C\C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC	ZINC000361540498	147533476	/nfs/dbraw/zinc/53/34/76/147533476.db2.gz	ZHJMGNGKNFFAIJ-MFBWXBCUSA-N	0	0	320.345	2.151	10	5		DEBERN
O=[N+]([O-])c1ccc(Oc2nsnc2N2CCOCC2)cc1	ZINC000000319948	401694384	/nfs/dbraw/zinc/69/43/84/401694384.db2.gz	LTIPYZZPCVXGCS-UHFFFAOYSA-N	0	0	308.319	2.075	10	5		DEBERN
CCOC(=O)c1ccnc(N[C@@H]2CCCC[C@H]2CO)c1[N+](=O)[O-]	ZINC000077209844	401806438	/nfs/dbraw/zinc/80/64/38/401806438.db2.gz	YDHCJLGVUSZJQI-CMPLNLGQSA-N	0	0	323.349	2.130	10	5		DEBERN
COCc1csc(NC(=O)COc2ccccc2[N+](=O)[O-])n1	ZINC000115242014	401821936	/nfs/dbraw/zinc/82/19/36/401821936.db2.gz	AOPYYHHXHICAJK-UHFFFAOYSA-N	0	0	323.330	2.215	10	5		DEBERN
COCc1csc(NC(=O)Cc2ccccc2[N+](=O)[O-])n1	ZINC000115244386	401822183	/nfs/dbraw/zinc/82/21/83/401822183.db2.gz	WURFPYSGXXZSAK-UHFFFAOYSA-N	0	0	307.331	2.379	10	5		DEBERN
O=C1NCC[C@@H]1SCc1coc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000089605640	401954286	/nfs/dbraw/zinc/95/42/86/401954286.db2.gz	OHNRJHSPFONBPV-LBPRGKRZSA-N	0	0	319.342	2.372	10	5		DEBERN
CC[C@@H](C)C(=O)Cn1cc([N+](=O)[O-])cc(Br)c1=O	ZINC000089691143	401957492	/nfs/dbraw/zinc/95/74/92/401957492.db2.gz	FQMLDMMNQMUPGB-SSDOTTSWSA-N	0	0	317.139	2.134	10	5		DEBERN
Cc1ccc(CN2CCO[C@@H](Cn3cccn3)C2)cc1[N+](=O)[O-]	ZINC000122203594	402066486	/nfs/dbraw/zinc/06/64/86/402066486.db2.gz	UYSJPKRRBUUMJP-OAHLLOKOSA-N	0	0	316.361	2.001	10	5		DEBERN
CCc1nnc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1C	ZINC000153222948	402134434	/nfs/dbraw/zinc/13/44/34/402134434.db2.gz	QBLQLWFEJBARGL-UHFFFAOYSA-N	0	0	315.377	2.450	10	5		DEBERN
Cc1nn(C)c(C(=O)N(C)Cc2ccc(F)cc2)c1[N+](=O)[O-]	ZINC000098094777	402136675	/nfs/dbraw/zinc/13/66/75/402136675.db2.gz	BLIANMPXRZAZJD-UHFFFAOYSA-N	0	0	306.297	2.048	10	5		DEBERN
Cc1cccc(CNC(=O)NCc2ccccc2[N+](=O)[O-])n1	ZINC000123904417	402153079	/nfs/dbraw/zinc/15/30/79/402153079.db2.gz	GJHJBTIWUTZZLJ-UHFFFAOYSA-N	0	0	300.318	2.298	10	5		DEBERN
O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1	ZINC000124529283	402184395	/nfs/dbraw/zinc/18/43/95/402184395.db2.gz	GQMRFXUNHXLTST-CKLFPEKLSA-N	0	0	310.737	2.091	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(Cc2ccn(-c3ccccc3)n2)c1=O	ZINC000155889858	402269838	/nfs/dbraw/zinc/26/98/38/402269838.db2.gz	CDHINVGIGDIGLW-UHFFFAOYSA-N	0	0	310.313	2.299	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCC[C@@H]1CO	ZINC000176455960	402311194	/nfs/dbraw/zinc/31/11/94/402311194.db2.gz	GIXCKFFZYJBZGW-ZYHUDNBSSA-N	0	0	323.349	2.276	10	5		DEBERN
CC(C)n1nnnc1CSCCOc1cccc([N+](=O)[O-])c1	ZINC000176897787	402347639	/nfs/dbraw/zinc/34/76/39/402347639.db2.gz	QJUZAHODDZUSLV-UHFFFAOYSA-N	0	0	323.378	2.474	10	5		DEBERN
O=[N+]([O-])c1nn(C[C@H](O)CC2CCCC2)cc1Br	ZINC000232146216	402356984	/nfs/dbraw/zinc/35/69/84/402356984.db2.gz	MXJLGSGIOIUGAJ-SECBINFHSA-N	0	0	318.171	2.495	10	5		DEBERN
O=C(N[C@@H]1CCCn2ncnc21)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000177543953	402414309	/nfs/dbraw/zinc/41/43/09/402414309.db2.gz	LEXQYZIOPAAIJW-SNVBAGLBSA-N	0	0	321.724	2.105	10	5		DEBERN
O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@@H]1Cc2ccccc2[C@H]1O	ZINC000178544589	402509852	/nfs/dbraw/zinc/50/98/52/402509852.db2.gz	YXHYBJNXBQQCGD-IRZMVBRHSA-N	0	0	324.336	2.383	10	5		DEBERN
CCO[C@@H]1C[C@@H](N(C)C(=O)c2n[nH]cc2[N+](=O)[O-])C12CCCC2	ZINC000163794524	402457856	/nfs/dbraw/zinc/45/78/56/402457856.db2.gz	XORFJHUELLFOOW-VXGBXAGGSA-N	0	0	322.365	2.128	10	5		DEBERN
CC[C@H](NC(=O)Cc1cncn1C)c1cccc([N+](=O)[O-])c1	ZINC000187169244	402486450	/nfs/dbraw/zinc/48/64/50/402486450.db2.gz	AUZROEDAVZWETD-AWEZNQCLSA-N	0	0	302.334	2.138	10	5		DEBERN
COc1cc(CN2C(=O)CC(C)CC2=O)c([N+](=O)[O-])cc1F	ZINC000183978948	286218020	/nfs/dbraw/zinc/21/80/20/286218020.db2.gz	OULGQRILZWMSCO-UHFFFAOYSA-N	0	0	310.281	2.028	10	5		DEBERN
CO[C@@H]1C[C@H](c2nc(C)no2)N(c2ccc([N+](=O)[O-])cc2F)C1	ZINC000190086066	402575183	/nfs/dbraw/zinc/57/51/83/402575183.db2.gz	WNGPZPOYWJFTCK-ZWNOBZJWSA-N	0	0	322.296	2.392	10	5		DEBERN
O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](n2cncn2)C1	ZINC000170897521	402539167	/nfs/dbraw/zinc/53/91/67/402539167.db2.gz	XBHZNJKIFTWXAP-CYBMUJFWSA-N	0	0	316.321	2.055	10	5		DEBERN
O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](n2cncn2)C1	ZINC000170897560	402539307	/nfs/dbraw/zinc/53/93/07/402539307.db2.gz	XUPJOSDMKSRVTJ-ZDUSSCGKSA-N	0	0	316.321	2.055	10	5		DEBERN
CCc1n[nH]c(C(=O)N2CCC[C@H](C(F)(F)F)C2)c1[N+](=O)[O-]	ZINC000171671128	402607726	/nfs/dbraw/zinc/60/77/26/402607726.db2.gz	SZGJICACVQSNFP-ZETCQYMHSA-N	0	0	320.271	2.295	10	5		DEBERN
Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000173505747	402700802	/nfs/dbraw/zinc/70/08/02/402700802.db2.gz	DFZYHVZJMNCFFW-SNVBAGLBSA-N	0	0	316.361	2.306	10	5		DEBERN
CC[C@@H](NS(=O)(=O)[C@@H](C)COC)c1cccc([N+](=O)[O-])c1	ZINC000175113398	402780431	/nfs/dbraw/zinc/78/04/31/402780431.db2.gz	CWFCJTSKTNPVGC-GXFFZTMASA-N	0	0	316.379	2.000	10	5		DEBERN
CCC1(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCC1	ZINC000175468241	402808904	/nfs/dbraw/zinc/80/89/04/402808904.db2.gz	GXOHSVSYISDQFP-UHFFFAOYSA-N	0	0	315.329	2.499	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC=C(Br)C1	ZINC000282281044	403139257	/nfs/dbraw/zinc/13/92/57/403139257.db2.gz	KZZJHEUKQKCJLE-UHFFFAOYSA-N	0	0	300.112	2.048	10	5		DEBERN
O=[N+]([O-])c1c(N2CCC[C@H](n3cccn3)C2)nc2sccn21	ZINC000301194982	403599577	/nfs/dbraw/zinc/59/95/77/403599577.db2.gz	TYNJHTNFERVWHS-JTQLQIEISA-N	0	0	318.362	2.342	10	5		DEBERN
Cn1ncnc1CNc1ccc([N+](=O)[O-])cc1Br	ZINC000301447783	403630773	/nfs/dbraw/zinc/63/07/73/403630773.db2.gz	OTNPJXZGSLSLJX-UHFFFAOYSA-N	0	0	312.127	2.098	10	5		DEBERN
CC(C)OCCCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	ZINC000301728011	403671636	/nfs/dbraw/zinc/67/16/36/403671636.db2.gz	NODHCROBTCGAKT-UHFFFAOYSA-N	0	0	309.322	2.153	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC23CCC3)c(F)c1	ZINC000368908018	403900552	/nfs/dbraw/zinc/90/05/52/403900552.db2.gz	WMZBESSAGRZPFU-UHFFFAOYSA-N	0	0	314.338	2.441	10	5		DEBERN
C[C@@H]1CCOCCN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12	ZINC000360796531	404838254	/nfs/dbraw/zinc/83/82/54/404838254.db2.gz	ZYPPERLNALUWPB-LLVKDONJSA-N	0	0	315.329	2.394	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCCCO1	ZINC000408285518	405163148	/nfs/dbraw/zinc/16/31/48/405163148.db2.gz	GGKZGVSGVBGXSS-UHFFFAOYSA-N	0	0	300.336	2.009	10	5		DEBERN
CCOc1ccc(C(=O)N2CC(OC(F)F)C2)cc1[N+](=O)[O-]	ZINC000437563433	405205496	/nfs/dbraw/zinc/20/54/96/405205496.db2.gz	ZDLJPZUOKWGPLO-UHFFFAOYSA-N	0	0	316.260	2.057	10	5		DEBERN
CCOc1ccc(C(=O)N2CC[C@@H](OC)[C@@H](C)C2)cc1[N+](=O)[O-]	ZINC000456133275	405510731	/nfs/dbraw/zinc/51/07/31/405510731.db2.gz	FOVSWJJQJINYNW-SMDDNHRTSA-N	0	0	322.361	2.491	10	5		DEBERN
C[C@@H](N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(F)(F)F	ZINC000486918645	406189110	/nfs/dbraw/zinc/18/91/10/406189110.db2.gz	BGOKCMOWBSWKMA-SECBINFHSA-N	0	0	304.272	2.063	10	5		DEBERN
CCOc1cc(C=O)c(I)c([N+](=O)[O-])c1	ZINC000575698184	406819438	/nfs/dbraw/zinc/81/94/38/406819438.db2.gz	FPEFDAFTHTZOMF-UHFFFAOYSA-N	0	0	321.070	2.411	10	5		DEBERN
COC(=O)Cc1cc(Br)cc([N+](=O)[O-])c1OC	ZINC000575712725	406822175	/nfs/dbraw/zinc/82/21/75/406822175.db2.gz	OKCSMKLKVDFHDT-UHFFFAOYSA-N	0	0	304.096	2.081	10	5		DEBERN
COC(=O)c1cc(I)c([N+](=O)[O-])cc1C	ZINC000575714501	406822744	/nfs/dbraw/zinc/82/27/44/406822744.db2.gz	HLWYDHZEKGLYIP-UHFFFAOYSA-N	0	0	321.070	2.294	10	5		DEBERN
COc1c(C=O)c(I)ccc1[N+](=O)[O-]	ZINC000575727020	406825355	/nfs/dbraw/zinc/82/53/55/406825355.db2.gz	ARTAJFRXUULTCW-UHFFFAOYSA-N	0	0	307.043	2.021	10	5		DEBERN
COc1cc(N[C@H](C)CC[S@@](C)=O)c([N+](=O)[O-])cc1OC	ZINC000128761509	195989604	/nfs/dbraw/zinc/98/96/04/195989604.db2.gz	UECOZZWLQBJNRG-BTKVJGODSA-N	0	0	316.379	2.181	10	5		DEBERN
C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@H]1COc2ccccc21	ZINC000129052131	196014957	/nfs/dbraw/zinc/01/49/57/196014957.db2.gz	OGSIZASSTWFLPQ-MWLCHTKSSA-N	0	0	302.286	2.482	10	5		DEBERN
CCN(CC)C(=O)CCNc1ncc(Cl)cc1[N+](=O)[O-]	ZINC000129766222	196074021	/nfs/dbraw/zinc/07/40/21/196074021.db2.gz	FEYGNRDPSLGEOI-UHFFFAOYSA-N	0	0	300.746	2.314	10	5		DEBERN
CS[C@@H](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000130583840	196093042	/nfs/dbraw/zinc/09/30/42/196093042.db2.gz	FCDTYWYXDBJJHC-QMMMGPOBSA-N	0	0	322.383	2.154	10	5		DEBERN
CSCC[C@H](C)Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	ZINC000131081704	196138099	/nfs/dbraw/zinc/13/80/99/196138099.db2.gz	HYQNQRZRAOWOEQ-QMMMGPOBSA-N	0	0	311.363	2.479	10	5		DEBERN
CN(Cc1ccco1)S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131164756	196145388	/nfs/dbraw/zinc/14/53/88/196145388.db2.gz	DJIMGEVVGQKOSM-UHFFFAOYSA-N	0	0	314.294	2.148	10	5		DEBERN
CC[C@H](C)CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131161450	196145632	/nfs/dbraw/zinc/14/56/32/196145632.db2.gz	HEILFPMMUFEGMP-VIFPVBQESA-N	0	0	304.343	2.401	10	5		DEBERN
CC[C@H](C)[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131199726	196149930	/nfs/dbraw/zinc/14/99/30/196149930.db2.gz	ZPNSXAPYSIYFPF-DTWKUNHWSA-N	0	0	304.343	2.447	10	5		DEBERN
CN(C(=O)c1ccnc(Cl)c1[N+](=O)[O-])[C@H]1CCCC[C@@H]1O	ZINC000131407001	196165515	/nfs/dbraw/zinc/16/55/15/196165515.db2.gz	QQUPSCADFKVJRJ-UWVGGRQHSA-N	0	0	313.741	2.019	10	5		DEBERN
CNc1cc(S(=O)(=O)N2CCCC[C@H]2C)ccc1[N+](=O)[O-]	ZINC000131709513	196193094	/nfs/dbraw/zinc/19/30/94/196193094.db2.gz	ZXCWSXKNSXAFTR-SNVBAGLBSA-N	0	0	313.379	2.200	10	5		DEBERN
CCN(C(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])c(NC)c1	ZINC000131887923	196207759	/nfs/dbraw/zinc/20/77/59/196207759.db2.gz	MCEBWUWNEBUMHC-UHFFFAOYSA-N	0	0	301.368	2.056	10	5		DEBERN
C[C@H](O)c1cc([N+](=O)[O-])c(N(C)[C@@H]2CCCC[C@@H]2O)s1	ZINC000131978394	196215080	/nfs/dbraw/zinc/21/50/80/196215080.db2.gz	RQXXRRWKSWSCTN-NGZCFLSTSA-N	0	0	300.380	2.449	10	5		DEBERN
CCNc1cc(S(=O)(=O)N[C@H]2CC2(C)C)ccc1[N+](=O)[O-]	ZINC000132133986	196228724	/nfs/dbraw/zinc/22/87/24/196228724.db2.gz	BTNAAUBXFLLFKP-LBPRGKRZSA-N	0	0	313.379	2.103	10	5		DEBERN
CS(=O)(=O)[C@H]1CCC[C@@H]1Nc1c(F)cc(F)cc1[N+](=O)[O-]	ZINC000132352185	196248350	/nfs/dbraw/zinc/24/83/50/196248350.db2.gz	ARXNPIGRTKJISO-ONGXEEELSA-N	0	0	320.317	2.251	10	5		DEBERN
CCCC[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(NC)c1	ZINC000132395685	196252892	/nfs/dbraw/zinc/25/28/92/196252892.db2.gz	DFGXNHUOBASHJF-JTQLQIEISA-N	0	0	315.395	2.494	10	5		DEBERN
CCO[C@H](C)CNC(=O)c1cc(Cl)c(NC)c([N+](=O)[O-])c1	ZINC000132599975	196269828	/nfs/dbraw/zinc/26/98/28/196269828.db2.gz	AYEVZWNUIPJFLW-MRVPVSSYSA-N	0	0	315.757	2.445	10	5		DEBERN
CCO[C@@H](C)CNC(=O)c1cc(Cl)c(NC)c([N+](=O)[O-])c1	ZINC000132599793	196269997	/nfs/dbraw/zinc/26/99/97/196269997.db2.gz	AYEVZWNUIPJFLW-QMMMGPOBSA-N	0	0	315.757	2.445	10	5		DEBERN
C[C@H]1CCCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1	ZINC000132731303	196278700	/nfs/dbraw/zinc/27/87/00/196278700.db2.gz	FNBOLGCPTWXSBK-JTQLQIEISA-N	0	0	313.379	2.130	10	5		DEBERN
COc1ccc(C(=O)Nc2cncc(Cl)n2)cc1[N+](=O)[O-]	ZINC000133886109	196343267	/nfs/dbraw/zinc/34/32/67/196343267.db2.gz	BZCSOAJHQOBVKE-UHFFFAOYSA-N	0	0	308.681	2.299	10	5		DEBERN
COCCONCc1cc(Br)ccc1[N+](=O)[O-]	ZINC000133980917	196351154	/nfs/dbraw/zinc/35/11/54/196351154.db2.gz	WHFZDMHPXRAXEW-UHFFFAOYSA-N	0	0	305.128	2.025	10	5		DEBERN
CN1C(=S)N=NC1c1cc(Br)cc([N+](=O)[O-])c1	ZINC000136050602	196517557	/nfs/dbraw/zinc/51/75/57/196517557.db2.gz	OTBJOYILGIWKLI-UHFFFAOYSA-N	0	0	315.152	2.442	10	5		DEBERN
CC[C@H]1CC[C@@H](C)N1S(=O)(=O)c1cc([N+](=O)[O-])ccc1N	ZINC000136511056	196539658	/nfs/dbraw/zinc/53/96/58/196539658.db2.gz	BEMJPVXRAQHDGX-ZJUUUORDSA-N	0	0	313.379	2.129	10	5		DEBERN
CC(C)(C)OC(=O)[C@@H](N)Cc1ccc([N+](=O)[O-])cc1Cl	ZINC000136839874	196553923	/nfs/dbraw/zinc/55/39/23/196553923.db2.gz	YAHQBNMSJCNZGG-NSHDSACASA-N	0	0	300.742	2.460	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCCCc2ccccc2)n1	ZINC000191453709	225110381	/nfs/dbraw/zinc/11/03/81/225110381.db2.gz	SFGHAPFVCUWRLM-UHFFFAOYSA-N	0	0	302.334	2.174	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCCc2cccc(Cl)c2)n1	ZINC000191467456	225111505	/nfs/dbraw/zinc/11/15/05/225111505.db2.gz	CFXPKXASIIZKMJ-UHFFFAOYSA-N	0	0	322.752	2.437	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)c2cccnc2)n1	ZINC000191579440	225113455	/nfs/dbraw/zinc/11/34/55/225113455.db2.gz	YHQPYQKGRUNPTD-JTQLQIEISA-N	0	0	303.322	2.039	10	5		DEBERN
C[C@H]1CCN(c2cc(CO)ccc2[N+](=O)[O-])C[C@H]1n1ccnc1	ZINC000302068601	230076811	/nfs/dbraw/zinc/07/68/11/230076811.db2.gz	VAGINPQEEJHXPS-BLLLJJGKSA-N	0	0	316.361	2.371	10	5		DEBERN
O=[N+]([O-])c1cnc2ccc(NCc3ccc4c(c3)CCO4)nn21	ZINC000535046660	421698604	/nfs/dbraw/zinc/69/86/04/421698604.db2.gz	CQPNBMQDQBNNMT-UHFFFAOYSA-N	0	0	311.301	2.185	10	5		DEBERN
Cc1ccsc1CCNc1ccc2ncc([N+](=O)[O-])n2n1	ZINC000358460345	424822990	/nfs/dbraw/zinc/82/29/90/424822990.db2.gz	HRGZUEGVBSCKAC-UHFFFAOYSA-N	0	0	303.347	2.662	10	5		DEBERN
O=C(Nc1cc([C@H]2CCCO2)[nH]n1)Nc1ccc([N+](=O)[O-])cc1	ZINC000357375279	424815702	/nfs/dbraw/zinc/81/57/02/424815702.db2.gz	MWXZYCIZCYIHCZ-GFCCVEGCSA-N	0	0	317.305	2.813	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2Cc3ccccc32)s1	ZINC000194406891	424875850	/nfs/dbraw/zinc/87/58/50/424875850.db2.gz	KJYUOYLVEQXDOX-JTQLQIEISA-N	0	0	324.383	2.275	10	5		DEBERN
CC1(C)CN(c2ncc([N+](=O)[O-])c(N)n2)CC[C@H]1C(F)(F)F	ZINC000302734137	276136801	/nfs/dbraw/zinc/13/68/01/276136801.db2.gz	VPZMHTJYLVTSRI-MRVPVSSYSA-N	0	0	319.287	2.382	10	5		DEBERN
CO[C@@H]1CC[C@@H]2OCCN(Cc3ccccc3[N+](=O)[O-])[C@@H]2C1	ZINC000158319100	277295921	/nfs/dbraw/zinc/29/59/21/277295921.db2.gz	SBZUPQSLATZNRV-BMFZPTHFSA-N	0	0	306.362	2.363	10	5		DEBERN
O=[N+]([O-])c1cnc(N[C@@H]2CCC[C@@H]2O)c(Br)c1	ZINC000267282332	280381661	/nfs/dbraw/zinc/38/16/61/280381661.db2.gz	VNQFUDRYAKCIKC-BDAKNGLRSA-N	0	0	302.128	2.078	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O	ZINC000126308809	280658770	/nfs/dbraw/zinc/65/87/70/280658770.db2.gz	OMQDUOFXGOMSQI-JKSUJKDBSA-N	0	0	312.325	2.291	10	5		DEBERN
Cc1cccc(CNC(=O)CNc2ccccc2[N+](=O)[O-])n1	ZINC000123878533	281790357	/nfs/dbraw/zinc/79/03/57/281790357.db2.gz	STABWBFGRNEWEE-UHFFFAOYSA-N	0	0	300.318	2.027	10	5		DEBERN
CC(C)(C)[C@H](O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1	ZINC000133435774	282016039	/nfs/dbraw/zinc/01/60/39/282016039.db2.gz	SSCGPQUVMRHDNY-LLVKDONJSA-N	0	0	300.742	2.385	10	5		DEBERN
Cc1ccc(CN(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)o1	ZINC000134211050	282035119	/nfs/dbraw/zinc/03/51/19/282035119.db2.gz	RNJGNKUDTRHNIY-UHFFFAOYSA-N	0	0	324.358	2.458	10	5		DEBERN
CSCCCC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000135536264	282075805	/nfs/dbraw/zinc/07/58/05/282075805.db2.gz	KPKZEHVGONJPLE-LLVKDONJSA-N	0	0	324.406	2.146	10	5		DEBERN
C[C@@H]1[C@@H](C)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000173289767	288962906	/nfs/dbraw/zinc/96/29/06/288962906.db2.gz	SWGRCAGRFNFACG-DTWKUNHWSA-N	0	0	304.393	2.465	10	5		DEBERN
Cc1cnc(N2CCC[C@H](NC(=O)C(C)C)C2)c([N+](=O)[O-])c1	ZINC000301421186	302350271	/nfs/dbraw/zinc/35/02/71/302350271.db2.gz	FBUHHMPUJAQGTM-LBPRGKRZSA-N	0	0	306.366	2.039	10	5		DEBERN
O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1	ZINC000576184037	326275618	/nfs/dbraw/zinc/27/56/18/326275618.db2.gz	WPVBDRNZXSITBQ-UHFFFAOYSA-N	0	0	302.286	2.109	10	5		DEBERN
CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@](O)(C(F)F)C1	ZINC000450701810	534879803	/nfs/dbraw/zinc/87/98/03/534879803.db2.gz	HMERGYNMYMYFHG-ZDUSSCGKSA-N	0	0	300.261	2.004	10	5		DEBERN
CCOC(=O)[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000194682635	527820370	/nfs/dbraw/zinc/82/03/70/527820370.db2.gz	OENCUXGPJUGOKX-AWEZNQCLSA-N	0	0	320.345	2.461	10	5		DEBERN
CCCc1cnc(NC(=O)c2nn(CC)cc2[N+](=O)[O-])s1	ZINC000191701196	528657714	/nfs/dbraw/zinc/65/77/14/528657714.db2.gz	FGKDTGCJICWXDT-UHFFFAOYSA-N	0	0	309.351	2.473	10	5		DEBERN
CCO[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])s2)C12CCOCC2	ZINC000192534536	535420291	/nfs/dbraw/zinc/42/02/91/535420291.db2.gz	BQVMMVJUVJTQNJ-NXEZZACHSA-N	0	0	313.379	2.437	10	5		DEBERN
CN(C)c1ncc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cn1	ZINC000162155027	625350686	/nfs/dbraw/zinc/35/06/86/625350686.db2.gz	ILNKMPUYXXBDNR-UHFFFAOYSA-N	0	0	321.724	2.357	10	5		DEBERN
COC(=O)c1cc(C)nc(N2CCC(F)(F)CC2)c1[N+](=O)[O-]	ZINC000804681368	623135218	/nfs/dbraw/zinc/13/52/18/623135218.db2.gz	LSNAJZPSGVWWDA-UHFFFAOYSA-N	0	0	315.276	2.320	10	5		DEBERN
CC(=O)c1ccc([N+](=O)[O-])cc1NCCCCN1CCOCC1	ZINC000807927160	623561401	/nfs/dbraw/zinc/56/14/01/623561401.db2.gz	UUMHFRDCYIINOO-UHFFFAOYSA-N	0	0	321.377	2.322	10	5		DEBERN
C[C@H](CC(=O)OCCn1cnc([N+](=O)[O-])n1)c1ccccc1F	ZINC000176686921	624911050	/nfs/dbraw/zinc/91/10/50/624911050.db2.gz	TWQXJGDCFZPTKR-SNVBAGLBSA-N	0	0	322.296	2.062	10	5		DEBERN
O=C(CCCC1CCCCC1)OCCn1cnc([N+](=O)[O-])n1	ZINC000176688069	624911272	/nfs/dbraw/zinc/91/12/72/624911272.db2.gz	VYDDAIZRPKAMQB-UHFFFAOYSA-N	0	0	310.354	2.480	10	5		DEBERN
O=C(Cn1ccc([N+](=O)[O-])n1)O[C@@H]1CCCc2ccccc21	ZINC000066522245	625122681	/nfs/dbraw/zinc/12/26/81/625122681.db2.gz	URBBCUWZNDVMSZ-CYBMUJFWSA-N	0	0	301.302	2.412	10	5		DEBERN
O=C(OCCC1CC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000744287789	638206801	/nfs/dbraw/zinc/20/68/01/638206801.db2.gz	ZRXJIFVHZKBQSH-LLVKDONJSA-N	0	0	322.317	2.136	10	5		DEBERN
COC(=O)/C(C)=C\COC(=O)CCOc1cccc([N+](=O)[O-])c1	ZINC000748172689	638520585	/nfs/dbraw/zinc/52/05/85/638520585.db2.gz	JOTSQWUGBCOPHP-WDZFZDKYSA-N	0	0	323.301	2.026	10	5		DEBERN
C/C(=C\C(=O)O[C@H](C)C(=O)N(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000752352021	639174768	/nfs/dbraw/zinc/17/47/68/639174768.db2.gz	SYQPBEZSEJVYBX-PBQZMEPESA-N	0	0	306.318	2.018	10	5		DEBERN
C/C(=C/C(=O)NCC1(O)CCCC1)c1ccc([N+](=O)[O-])cc1	ZINC000752372059	639176507	/nfs/dbraw/zinc/17/65/07/639176507.db2.gz	NRHPXHYNAVCABF-BENRWUELSA-N	0	0	304.346	2.419	10	5		DEBERN
C/C(=C/C(=O)N(CCO)CC1CC1)c1ccc([N+](=O)[O-])cc1	ZINC000752615178	639202990	/nfs/dbraw/zinc/20/29/90/639202990.db2.gz	ISMNPQMWAWVWAQ-BENRWUELSA-N	0	0	304.346	2.229	10	5		DEBERN
CC(=CC(=O)NCc1cccc(=O)[nH]1)c1ccc([N+](=O)[O-])cc1	ZINC000752738630	639214613	/nfs/dbraw/zinc/21/46/13/639214613.db2.gz	IEEWCPQQWPXNFV-LUAWRHEFSA-N	0	0	313.313	2.415	10	5		DEBERN
Cc1cccc([N+](=O)[O-])c1C(=O)O[C@H](C(=O)N(C)C)C(C)C	ZINC000729701733	640830872	/nfs/dbraw/zinc/83/08/72/640830872.db2.gz	OVQODDONNVHAPY-ZDUSSCGKSA-N	0	0	308.334	2.173	10	5		DEBERN
COC(=O)c1cc(C)nc(NC[C@H]2CCC=CO2)c1[N+](=O)[O-]	ZINC000804630853	645798801	/nfs/dbraw/zinc/79/88/01/645798801.db2.gz	JUHXRYWQQJPIIK-SNVBAGLBSA-N	0	0	307.306	2.189	10	5		DEBERN
C[C@@H](CCC(=O)OCCn1cnc([N+](=O)[O-])n1)c1ccccc1	ZINC000161102350	646716939	/nfs/dbraw/zinc/71/69/39/646716939.db2.gz	JYRHFVPOMMJVFB-LBPRGKRZSA-N	0	0	318.333	2.313	10	5		DEBERN
CC[C@@H](Cc1ccccc1)OC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000174546757	646814958	/nfs/dbraw/zinc/81/49/58/646814958.db2.gz	PKIIOCZAKNJXBH-AWEZNQCLSA-N	0	0	303.318	2.356	10	5		DEBERN
CCOc1ccc(C(=O)NCc2cc(CC)n[nH]2)cc1[N+](=O)[O-]	ZINC000732790199	647661485	/nfs/dbraw/zinc/66/14/85/647661485.db2.gz	CMQVGRALENOZMI-UHFFFAOYSA-N	0	0	318.333	2.209	10	5		DEBERN
C[C@@H](OC(=O)CCCS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1	ZINC000108939049	651763177	/nfs/dbraw/zinc/76/31/77/651763177.db2.gz	USSRWIYFTZCSEM-SNVBAGLBSA-N	0	0	315.347	2.024	10	5		DEBERN
Cc1nc([N+](=O)[O-])cn1CCC(=O)OCCc1ccc(F)cc1	ZINC000111992789	652652506	/nfs/dbraw/zinc/65/25/06/652652506.db2.gz	YVJNKDOGJNJQJQ-UHFFFAOYSA-N	0	0	321.308	2.415	10	5		DEBERN
COc1cc(C(=O)OCC(F)(F)F)c([N+](=O)[O-])cc1OC	ZINC000078236698	683959962	/nfs/dbraw/zinc/95/99/62/683959962.db2.gz	DSWNXBXCNDESSM-UHFFFAOYSA-N	0	0	309.196	2.331	10	5		DEBERN
CN(CC(=O)OC[C@]1(C)CCCO1)c1ccccc1[N+](=O)[O-]	ZINC000089240829	684020435	/nfs/dbraw/zinc/02/04/35/684020435.db2.gz	JWAMBZIOOJWLAD-HNNXBMFYSA-N	0	0	308.334	2.143	10	5		DEBERN
O=[N+]([O-])c1cnn(CN2CCO[C@H](c3ccc(Cl)cc3)C2)c1	ZINC000124253106	684133125	/nfs/dbraw/zinc/13/31/25/684133125.db2.gz	JZOIUKWGWMTFSW-AWEZNQCLSA-N	0	0	322.752	2.476	10	5		DEBERN
CC(=O)Oc1ccc(Cn2cc([N+](=O)[O-])cc(C)c2=O)cc1	ZINC000127209818	684161674	/nfs/dbraw/zinc/16/16/74/684161674.db2.gz	UVKDHBGZOUCMIS-UHFFFAOYSA-N	0	0	302.286	2.039	10	5		DEBERN
COCCCCS(=O)(=O)Oc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000133781971	684222832	/nfs/dbraw/zinc/22/28/32/684222832.db2.gz	OAARQCFNGPYCKB-UHFFFAOYSA-N	0	0	323.754	2.383	10	5		DEBERN
Cc1ccnc(NC/C=C\CNC(=O)OC(C)(C)C)c1[N+](=O)[O-]	ZINC000588432580	777168557	/nfs/dbraw/zinc/16/85/57/777168557.db2.gz	OCCOCOVKMXAVSL-WAYWQWQTSA-N	0	0	322.365	2.213	10	5		DEBERN
Nc1c(Cl)cc(C(=O)NCC[C@H]2CCCO2)cc1[N+](=O)[O-]	ZINC000050709641	1078476238	/nfs/dbraw/zinc/47/62/38/1078476238.db2.gz	JLSFKIWWELDITJ-SECBINFHSA-N	0	0	313.741	2.129	10	5		DEBERN
C[C@@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1(C)CC1	ZINC000706194202	1082088249	/nfs/dbraw/zinc/08/82/49/1082088249.db2.gz	CBZZKFSAHAARKO-MRVPVSSYSA-N	0	0	302.327	2.201	10	5		DEBERN
Cn1ncnc1COc1cc(Br)ccc1[N+](=O)[O-]	ZINC000707386425	1082387926	/nfs/dbraw/zinc/38/79/26/1082387926.db2.gz	FWJXKTCYQBPIHB-UHFFFAOYSA-N	0	0	313.111	2.065	10	5		DEBERN
O=[N+]([O-])c1nn(CCc2ccns2)cc1Br	ZINC000719865658	1089364959	/nfs/dbraw/zinc/36/49/59/1089364959.db2.gz	VCLMDVYAMZSBLE-UHFFFAOYSA-N	0	0	303.141	2.253	10	5		DEBERN
O=[N+]([O-])c1cncc(OC2CC2)c1I	ZINC000095735793	185383565	/nfs/dbraw/zinc/38/35/65/185383565.db2.gz	XTDALTJJKTTYEE-UHFFFAOYSA-N	0	0	306.059	2.136	10	5		DEBERN
Cc1cccc(NC(=O)Cn2cc([N+](=O)[O-])cc(C)c2=O)c1C	ZINC000096778099	185387228	/nfs/dbraw/zinc/38/72/28/185387228.db2.gz	MCBIIPOCDWNSMZ-UHFFFAOYSA-N	0	0	315.329	2.320	10	5		DEBERN
CCN(CC(=O)OC)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000087835269	185233220	/nfs/dbraw/zinc/23/32/20/185233220.db2.gz	ZVBJYSZDARVTEP-UHFFFAOYSA-N	0	0	317.139	2.357	10	5		DEBERN
CC[C@@H]1CO[C@H](C)CN1C(=O)c1ccnc(Cl)c1[N+](=O)[O-]	ZINC000088802848	185266262	/nfs/dbraw/zinc/26/62/62/185266262.db2.gz	NMVGBFKSIWGFOY-RKDXNWHRSA-N	0	0	313.741	2.283	10	5		DEBERN
COC(=O)C[C@H](C)[S@@](=O)Cc1c(Cl)cccc1[N+](=O)[O-]	ZINC000090101787	185282352	/nfs/dbraw/zinc/28/23/52/185282352.db2.gz	URCXONACCCGKKA-FFVOIRBGSA-N	0	0	319.766	2.449	10	5		DEBERN
CCCc1nn(C)c(SC[C@H](C)C(=O)OC)c1[N+](=O)[O-]	ZINC000090104222	185282414	/nfs/dbraw/zinc/28/24/14/185282414.db2.gz	HXNGLBCTFJIDES-QMMMGPOBSA-N	0	0	301.368	2.182	10	5		DEBERN
CCc1nc(C(C)(C)NCCOc2cccc([N+](=O)[O-])c2)no1	ZINC000441237829	529714135	/nfs/dbraw/zinc/71/41/35/529714135.db2.gz	XQIWUILCOZRMOR-UHFFFAOYSA-N	0	0	320.349	2.444	10	5		DEBERN
CCOc1ccc(C(=O)N2CC[C@@H](C)[C@H](OC)C2)cc1[N+](=O)[O-]	ZINC000187849384	282292246	/nfs/dbraw/zinc/29/22/46/282292246.db2.gz	IXBFOSAKLSOAIE-IAQYHMDHSA-N	0	0	322.361	2.491	10	5		DEBERN
COc1cc(CN2CC[C@@H](C)[C@@H](OC)C2)c([N+](=O)[O-])cc1OC	ZINC000188334221	282297913	/nfs/dbraw/zinc/29/79/13/282297913.db2.gz	MGPKRJXFDAQQQG-BZNIZROVSA-N	0	0	324.377	2.469	10	5		DEBERN
Cc1c([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2C)cnn1C	ZINC000194794380	282365830	/nfs/dbraw/zinc/36/58/30/282365830.db2.gz	FOVADCNVKSKZQF-SNVBAGLBSA-N	0	0	302.334	2.436	10	5		DEBERN
O=[N+]([O-])c1cc(CO)ccc1Sc1nnc2ccccn21	ZINC000111577122	185614052	/nfs/dbraw/zinc/61/40/52/185614052.db2.gz	HGUFJWLYAHDRLX-UHFFFAOYSA-N	0	0	302.315	2.281	10	5		DEBERN
CC[C@H](C)CN(C)S(=O)(=O)c1cccc(NC)c1[N+](=O)[O-]	ZINC000126909977	185903180	/nfs/dbraw/zinc/90/31/80/185903180.db2.gz	WLBNLMBPMBSXQV-JTQLQIEISA-N	0	0	315.395	2.303	10	5		DEBERN
CC[C@H](C)[C@@H](C)NS(=O)(=O)c1cccc(NC)c1[N+](=O)[O-]	ZINC000126950255	185906713	/nfs/dbraw/zinc/90/67/13/185906713.db2.gz	SPLRUXCPOCUBOL-VHSXEESVSA-N	0	0	315.395	2.349	10	5		DEBERN
Cc1nn(C(C)(C)C)cc1[C@@H](C)Nc1ncc([N+](=O)[O-])c(N)n1	ZINC000130477756	185969860	/nfs/dbraw/zinc/96/98/60/185969860.db2.gz	MBLNADZWHUHWPH-MRVPVSSYSA-N	0	0	319.369	2.400	10	5		DEBERN
Nc1ncnc(Oc2ccc([N+](=O)[O-])cc2Cl)c1[N+](=O)[O-]	ZINC000147838060	186041769	/nfs/dbraw/zinc/04/17/69/186041769.db2.gz	IOGZVEVENOHJQV-UHFFFAOYSA-N	0	0	311.641	2.321	10	5		DEBERN
CCOc1nc(NC)nc(Sc2ccc([N+](=O)[O-])cc2)n1	ZINC000150186536	186055380	/nfs/dbraw/zinc/05/53/80/186055380.db2.gz	PEMKKJYMPMAPSF-UHFFFAOYSA-N	0	0	307.335	2.371	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(Cc2noc(-c3ccsc3)n2)c1=O	ZINC000155820990	186115922	/nfs/dbraw/zinc/11/59/22/186115922.db2.gz	KFFYJBINTJAPAU-UHFFFAOYSA-N	0	0	318.314	2.225	10	5		DEBERN
C[C@H]1C[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)C1	ZINC000164259224	186153778	/nfs/dbraw/zinc/15/37/78/186153778.db2.gz	KCZRJXUUBWCZSO-IUCAKERBSA-N	0	0	302.327	2.153	10	5		DEBERN
O=C(c1csc([N+](=O)[O-])c1)N1CCC(Cn2cccn2)CC1	ZINC000172394559	198090263	/nfs/dbraw/zinc/09/02/63/198090263.db2.gz	GNNPMQQWWNHPAJ-UHFFFAOYSA-N	0	0	320.374	2.405	10	5		DEBERN
C[C@H](C(=O)Nc1cnccc1CO)c1cccc([N+](=O)[O-])c1	ZINC000617756065	363253928	/nfs/dbraw/zinc/25/39/28/363253928.db2.gz	YBTRTXUQLZZHNB-JTQLQIEISA-N	0	0	301.302	2.224	10	5		DEBERN
CCOC(=O)c1cc(/C=C/N(C)C)c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000039047313	354168027	/nfs/dbraw/zinc/16/80/27/354168027.db2.gz	BEMPDWSQXJDBSG-AATRIKPKSA-N	0	0	309.278	2.212	10	5		DEBERN
NC(=O)c1ccsc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1	ZINC000004281494	181092576	/nfs/dbraw/zinc/09/25/76/181092576.db2.gz	JULDJXKLKJXJNC-SNAWJCMRSA-N	0	0	317.326	2.407	10	5		DEBERN
CCC(=O)N1CSC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1	ZINC000182417150	199434857	/nfs/dbraw/zinc/43/48/57/199434857.db2.gz	HSNGEKPTXBESBF-LBPRGKRZSA-N	0	0	323.374	2.153	10	5		DEBERN
COc1cc(OC)cc(C(=O)Nc2ncc([N+](=O)[O-])s2)c1	ZINC000004746335	181146828	/nfs/dbraw/zinc/14/68/28/181146828.db2.gz	RNXVXNXOQVWCBB-UHFFFAOYSA-N	0	0	309.303	2.321	10	5		DEBERN
Cc1nc(C2CCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)no1	ZINC000074745426	355046948	/nfs/dbraw/zinc/04/69/48/355046948.db2.gz	OOEUFABEPWHFMP-UHFFFAOYSA-N	0	0	303.322	2.374	10	5		DEBERN
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCSCC1	ZINC000075788970	355107194	/nfs/dbraw/zinc/10/71/94/355107194.db2.gz	QMDRRUXGHJRETD-UHFFFAOYSA-N	0	0	316.404	2.031	10	5		DEBERN
Cc1ccc(NC(=O)c2ccc(-n3cnnn3)cc2)c([N+](=O)[O-])c1	ZINC000005034617	181194673	/nfs/dbraw/zinc/19/46/73/181194673.db2.gz	DRQLRTPVOIMYRL-UHFFFAOYSA-N	0	0	324.300	2.131	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C(C)(C)C	ZINC000123220027	355803989	/nfs/dbraw/zinc/80/39/89/355803989.db2.gz	FBCQUTFHHZXOAW-SECBINFHSA-N	0	0	323.349	2.093	10	5		DEBERN
NS(=O)(=O)c1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1	ZINC000143641835	355900347	/nfs/dbraw/zinc/90/03/47/355900347.db2.gz	MUMQYFATTDTNAZ-UHFFFAOYSA-N	0	0	312.278	2.174	10	5		DEBERN
O=C(NCCCn1ccnn1)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000182404302	356126130	/nfs/dbraw/zinc/12/61/30/356126130.db2.gz	MBKLJZCDBPRTRK-UHFFFAOYSA-N	0	0	324.728	2.052	10	5		DEBERN
CC[C@H](COC)NC(=O)c1cc(Cl)c(NC)c([N+](=O)[O-])c1	ZINC000079775301	191971678	/nfs/dbraw/zinc/97/16/78/191971678.db2.gz	TYVSNFLLNYUJSS-SECBINFHSA-N	0	0	315.757	2.445	10	5		DEBERN
Cc1nc2c([nH]1)C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC2	ZINC000220591926	356274457	/nfs/dbraw/zinc/27/44/57/356274457.db2.gz	AHYASWAMKAOASI-JTQLQIEISA-N	0	0	300.318	2.370	10	5		DEBERN
CCOC(=O)c1cccc(I)c1[N+](=O)[O-]	ZINC000238266151	356302954	/nfs/dbraw/zinc/30/29/54/356302954.db2.gz	NQGHIYZIRPJASD-UHFFFAOYSA-N	0	0	321.070	2.376	10	5		DEBERN
CS(=O)(=O)[C@H]1CCC[C@H]1Nc1cc([N+](=O)[O-])c(F)cc1F	ZINC000086673770	192590107	/nfs/dbraw/zinc/59/01/07/192590107.db2.gz	UWDVOIPGAILEGT-SKDRFNHKSA-N	0	0	320.317	2.251	10	5		DEBERN
O=C(c1ncoc1C1CC1)N1CCc2ncc([N+](=O)[O-])cc2C1	ZINC000590321891	357533876	/nfs/dbraw/zinc/53/38/76/357533876.db2.gz	NKELCMURRWLEOS-UHFFFAOYSA-N	0	0	314.301	2.054	10	5		DEBERN
CC(=O)N1CC[C@@H](CNc2nccc3ccc([N+](=O)[O-])cc32)C1	ZINC000596235585	358648375	/nfs/dbraw/zinc/64/83/75/358648375.db2.gz	XKAWWOONVZINCI-LBPRGKRZSA-N	0	0	314.345	2.423	10	5		DEBERN
COC(=O)[C@@]1(C)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000187647011	200139476	/nfs/dbraw/zinc/13/94/76/200139476.db2.gz	SIYQMXSEEGKQPL-OAHLLOKOSA-N	0	0	306.318	2.071	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NOC[C@@H]1CCOC1	ZINC000187973166	200185301	/nfs/dbraw/zinc/18/53/01/200185301.db2.gz	CJOJXRJICLZENY-BIRHUZIMSA-N	0	0	306.318	2.082	10	5		DEBERN
CC(C)[C@H](C)NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1	ZINC000188445437	200247906	/nfs/dbraw/zinc/24/79/06/200247906.db2.gz	OGWNSAWNFHKJTB-NSHDSACASA-N	0	0	307.350	2.412	10	5		DEBERN
C[C@H]1OCC[C@@H]1S(=O)(=O)Oc1c(Cl)cccc1[N+](=O)[O-]	ZINC000190272574	291215101	/nfs/dbraw/zinc/21/51/01/291215101.db2.gz	WPYMFWNLAYYZMT-XCBNKYQSSA-N	0	0	321.738	2.134	10	5		DEBERN
C=C/C(C)=C\CC(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1	ZINC000601781292	360145710	/nfs/dbraw/zinc/14/57/10/360145710.db2.gz	VENPKCXBAQOYEE-IYCSXQJISA-N	0	0	304.346	2.441	10	5		DEBERN
O=[N+]([O-])c1cnc(N[C@@H]2CCC[C@H](O)C2)c(Br)c1	ZINC000610512800	361413614	/nfs/dbraw/zinc/41/36/14/361413614.db2.gz	VUOATDSSNJGDGH-APPZFPTMSA-N	0	0	316.155	2.468	10	5		DEBERN
CC(C)N(CCCO)c1ncc([N+](=O)[O-])cc1Br	ZINC000093434492	193251600	/nfs/dbraw/zinc/25/16/00/193251600.db2.gz	SOYSCRHXDFHEDZ-UHFFFAOYSA-N	0	0	318.171	2.350	10	5		DEBERN
COc1ccc(NCc2cc(C(N)=O)cs2)c([N+](=O)[O-])c1	ZINC000093686417	193290247	/nfs/dbraw/zinc/29/02/47/193290247.db2.gz	HRDKMWVJZXOZGL-UHFFFAOYSA-N	0	0	307.331	2.376	10	5		DEBERN
COC(=O)[C@H](C)Nc1ccc(Br)c([N+](=O)[O-])c1	ZINC000094187987	193348031	/nfs/dbraw/zinc/34/80/31/193348031.db2.gz	KPAIWPQUNZUNTI-LURJTMIESA-N	0	0	303.112	2.331	10	5		DEBERN
Nc1ncc(CN2C(=O)CCc3cc([N+](=O)[O-])ccc32)s1	ZINC000094193609	193348529	/nfs/dbraw/zinc/34/85/29/193348529.db2.gz	SPHQTXXHFJXZLS-UHFFFAOYSA-N	0	0	304.331	2.113	10	5		DEBERN
CCNc1cc(C)c(S(=O)(=O)N[C@@H](C)CC)cc1[N+](=O)[O-]	ZINC000094780426	193397966	/nfs/dbraw/zinc/39/79/66/193397966.db2.gz	LICWUFTXRIXVDX-JTQLQIEISA-N	0	0	315.395	2.412	10	5		DEBERN
COC(=O)[C@H]1CC12CCN(Cc1csc([N+](=O)[O-])c1)CC2	ZINC000265031036	204354633	/nfs/dbraw/zinc/35/46/33/204354633.db2.gz	ILZRBFBQZPQDMI-LLVKDONJSA-N	0	0	310.375	2.431	10	5		DEBERN
O=C(CC/C=C\c1ccccc1)NCCn1cc([N+](=O)[O-])cn1	ZINC000490998085	248894533	/nfs/dbraw/zinc/89/45/33/248894533.db2.gz	ASLLVGPTZRLAND-YWEYNIOJSA-N	0	0	314.345	2.401	10	5		DEBERN
COc1ccc(Cl)cc1Nc1[nH]cnc(=NN)c1[N+](=O)[O-]	ZINC000040589694	183105757	/nfs/dbraw/zinc/10/57/57/183105757.db2.gz	FYXDFSYINNOYKT-UHFFFAOYSA-N	0	0	310.701	2.076	10	5		DEBERN
NN=c1nc[nH]c(NC23CC4CC(CC(C4)C2)C3)c1[N+](=O)[O-]	ZINC000040621610	183109598	/nfs/dbraw/zinc/10/95/98/183109598.db2.gz	BVEVKZWLDYQTQX-UHFFFAOYSA-N	0	0	304.354	2.051	10	5		DEBERN
CC(C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])c(F)cc1F	ZINC000040792228	183134823	/nfs/dbraw/zinc/13/48/23/183134823.db2.gz	XKLGLNKAYBVAEU-MRVPVSSYSA-N	0	0	302.277	2.010	10	5		DEBERN
Nc1cc(=O)[nH]c(SCc2ccc(Cl)c([N+](=O)[O-])c2)n1	ZINC000041027067	183157642	/nfs/dbraw/zinc/15/76/42/183157642.db2.gz	VVQVXCLBKGKOBJ-UHFFFAOYSA-N	0	0	312.738	2.206	10	5		DEBERN
CC(C)(Nc1ccc([N+](=O)[O-])cc1Br)C(N)=O	ZINC000043596707	183375285	/nfs/dbraw/zinc/37/52/85/183375285.db2.gz	ZYHGAYWSNFKJCT-UHFFFAOYSA-N	0	0	302.128	2.033	10	5		DEBERN
C[C@@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1C	ZINC000271058516	291689625	/nfs/dbraw/zinc/68/96/25/291689625.db2.gz	RWRMWMZDZAYKHF-NXEZZACHSA-N	0	0	316.354	2.401	10	5		DEBERN
COC(=O)[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C(C)C	ZINC000102634796	193905795	/nfs/dbraw/zinc/90/57/95/193905795.db2.gz	VUVPWSDGEDITSM-ZDUSSCGKSA-N	0	0	319.317	2.004	10	5		DEBERN
COCc1nc2n(n1)CCC[C@@H]2Nc1ccccc1[N+](=O)[O-]	ZINC000268373725	206666566	/nfs/dbraw/zinc/66/65/66/206666566.db2.gz	HCQOSOFMLONOLP-NSHDSACASA-N	0	0	303.322	2.280	10	5		DEBERN
C[NH2+][C@](C)(CCOc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)[O-]	ZINC000050471772	183787324	/nfs/dbraw/zinc/78/73/24/183787324.db2.gz	GNNPXSBRDGAUME-GFCCVEGCSA-N	0	0	302.714	2.080	10	5		DEBERN
CCCCN(CC)S(=O)(=O)c1cc(NC)ccc1[N+](=O)[O-]	ZINC000050634225	183792234	/nfs/dbraw/zinc/79/22/34/183792234.db2.gz	MTCXHPBOQZAYMB-UHFFFAOYSA-N	0	0	315.395	2.447	10	5		DEBERN
CC[C@@H](C)N(CC)S(=O)(=O)c1cc(NC)ccc1[N+](=O)[O-]	ZINC000050652346	183794534	/nfs/dbraw/zinc/79/45/34/183794534.db2.gz	ODLNXDXHWZLKCK-SNVBAGLBSA-N	0	0	315.395	2.446	10	5		DEBERN
CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C1CC1	ZINC000050654930	183795542	/nfs/dbraw/zinc/79/55/42/183795542.db2.gz	MOOZFIASBMYKTD-SECBINFHSA-N	0	0	313.379	2.103	10	5		DEBERN
CC[C@H](C)[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000057102665	184026830	/nfs/dbraw/zinc/02/68/30/184026830.db2.gz	RIUGEFHKXGEVRA-UWVGGRQHSA-N	0	0	316.379	2.316	10	5		DEBERN
CC(C)(C)[C@@H](O)CNC(=O)c1cccc(Cl)c1[N+](=O)[O-]	ZINC000269012463	207165482	/nfs/dbraw/zinc/16/54/82/207165482.db2.gz	HOKGDXVPKHMUGW-JTQLQIEISA-N	0	0	300.742	2.385	10	5		DEBERN
CCC[C@H](O)CNc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-]	ZINC000112333719	194459750	/nfs/dbraw/zinc/45/97/50/194459750.db2.gz	KGRQRJKJFARXBS-WMADIVHISA-N	0	0	308.334	2.354	10	5		DEBERN
CCC[NH2+][C@H](CCOc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000062595797	184244437	/nfs/dbraw/zinc/24/44/37/184244437.db2.gz	UWEVQQNPFPXIHJ-SNVBAGLBSA-N	0	0	316.741	2.470	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C(N)=O)CC[C@H]1C	ZINC000119153277	194983658	/nfs/dbraw/zinc/98/36/58/194983658.db2.gz	KQMJXZOMZCUZJI-GHMZBOCLSA-N	0	0	320.349	2.021	10	5		DEBERN
C[C@H](CC(N)=O)Nc1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000158205103	197253585	/nfs/dbraw/zinc/25/35/85/197253585.db2.gz	NCZRSLQBRKWIKT-RXMQYKEDSA-N	0	0	320.118	2.172	10	5		DEBERN
O=[N+]([O-])c1cccc(-c2nnc(I)o2)c1	ZINC000157880203	197223728	/nfs/dbraw/zinc/22/37/28/197223728.db2.gz	NJRPVFCHMYWWJA-UHFFFAOYSA-N	0	0	317.042	2.249	10	5		DEBERN
CC[C@H](C)N(CC)S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1	ZINC000157560552	197197817	/nfs/dbraw/zinc/19/78/17/197197817.db2.gz	MHRKRESTVCHTJL-ZETCQYMHSA-N	0	0	307.397	2.048	10	5		DEBERN
CCCN(CCC)S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1	ZINC000157553305	197196339	/nfs/dbraw/zinc/19/63/39/197196339.db2.gz	ITUVCYTZXZCRSU-UHFFFAOYSA-N	0	0	307.397	2.049	10	5		DEBERN
O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC(C2CCOCC2)CC1	ZINC000558623090	291896781	/nfs/dbraw/zinc/89/67/81/291896781.db2.gz	QQAIORMHXXWCLM-UHFFFAOYSA-N	0	0	307.350	2.202	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCCC1CC1	ZINC000545212469	285400321	/nfs/dbraw/zinc/40/03/21/285400321.db2.gz	NDEZMKHNOZUVPV-UHFFFAOYSA-N	0	0	319.361	2.457	10	5		DEBERN
CNc1ccc(C(=O)NC2(CCO)CCCCC2)cc1[N+](=O)[O-]	ZINC000545952938	285462611	/nfs/dbraw/zinc/46/26/11/285462611.db2.gz	PQXDASSJSQYFPM-UHFFFAOYSA-N	0	0	321.377	2.452	10	5		DEBERN
O=[N+]([O-])c1ncn(Cc2ccc(Br)c(F)c2)n1	ZINC000176730562	132521634	/nfs/dbraw/zinc/52/16/34/132521634.db2.gz	HXCAJZOUZCKEHA-UHFFFAOYSA-N	0	0	301.075	2.136	10	5		DEBERN
O=C(N[C@@H]1Cc2ccccc2[C@H]1O)c1ccc([N+](=O)[O-])cc1F	ZINC000178313696	132534586	/nfs/dbraw/zinc/53/45/86/132534586.db2.gz	WVBHEXDTNFNUFQ-HUUCEWRRSA-N	0	0	316.288	2.122	10	5		DEBERN
CCOc1ccc(C(=O)NC[C@]2(O)CCC[C@H]2C)cc1[N+](=O)[O-]	ZINC000359787856	133144936	/nfs/dbraw/zinc/14/49/36/133144936.db2.gz	GOXZNACIYUWFKF-BDJLRTHQSA-N	0	0	322.361	2.274	10	5		DEBERN
O=[N+]([O-])c1cnc2ccc(N3CCC[C@H]3c3cccnc3)nn21	ZINC000372450249	133354513	/nfs/dbraw/zinc/35/45/13/133354513.db2.gz	SGPISCIPAWJWDI-LBPRGKRZSA-N	0	0	310.317	2.374	10	5		DEBERN
CCC1(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)CCC1	ZINC000178583713	144861269	/nfs/dbraw/zinc/86/12/69/144861269.db2.gz	ZNGWVSMRWZYYJL-UHFFFAOYSA-N	0	0	308.334	2.431	10	5		DEBERN
C[C@@]1(C(N)=O)CCCCN1Cc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000185886233	144970381	/nfs/dbraw/zinc/97/03/81/144970381.db2.gz	TUDCSCAJYOMXFQ-AWEZNQCLSA-N	0	0	311.769	2.478	10	5		DEBERN
CC(C)c1ccc(C(=O)N2CCCNC(=O)[C@H]2C)cc1[N+](=O)[O-]	ZINC000188866477	145019116	/nfs/dbraw/zinc/01/91/16/145019116.db2.gz	NAIYRFOKHZMZDJ-LLVKDONJSA-N	0	0	319.361	2.069	10	5		DEBERN
CN(C)c1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cn1	ZINC000358447801	147136621	/nfs/dbraw/zinc/13/66/21/147136621.db2.gz	AKURRYFLKUSGKK-UHFFFAOYSA-N	0	0	300.318	2.237	10	5		DEBERN
COC(=O)[C@H](NCCCCc1ccc([N+](=O)[O-])cc1)C1CC1	ZINC000358808127	147209838	/nfs/dbraw/zinc/20/98/38/147209838.db2.gz	HQBKUGVXBKPMKM-OAHLLOKOSA-N	0	0	306.362	2.459	10	5		DEBERN
Cc1ccc(S(=O)(=O)N2CCS[C@H](C)C2)c([N+](=O)[O-])c1	ZINC000408068644	292177239	/nfs/dbraw/zinc/17/72/39/292177239.db2.gz	XFOUBFGTZVBARK-SNVBAGLBSA-N	0	0	316.404	2.029	10	5		DEBERN
Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(-c2nc[nH]n2)c1	ZINC000371559094	148116564	/nfs/dbraw/zinc/11/65/64/148116564.db2.gz	FJYLDHKECPJRPY-UHFFFAOYSA-N	0	0	324.300	2.214	10	5		DEBERN
C[C@H]1CN(C)C[C@H](C)N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000127177924	401723326	/nfs/dbraw/zinc/72/33/26/401723326.db2.gz	ZFKUWYPYRAZKFL-UWVGGRQHSA-N	0	0	311.769	2.413	10	5		DEBERN
COC(=O)/C=C/c1ccc(Nc2cnn(C)c2)c([N+](=O)[O-])c1	ZINC000071968816	401699819	/nfs/dbraw/zinc/69/98/19/401699819.db2.gz	MKTFHHPOUOFKSI-GQCTYLIASA-N	0	0	302.290	2.258	10	5		DEBERN
CCCC[C@@H](COC)NS(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000076298470	401789935	/nfs/dbraw/zinc/78/99/35/401789935.db2.gz	ASQKSBHBNXYPBK-VIFPVBQESA-N	0	0	322.408	2.140	10	5		DEBERN
C[C@@H](CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[S@@](C)=O	ZINC000130416304	401831127	/nfs/dbraw/zinc/83/11/27/401831127.db2.gz	OHKFZGUMLCELOM-FHZGZLOMSA-N	0	0	301.324	2.072	10	5		DEBERN
Cc1ccn2ncc(C(=O)N3CCc4c3cccc4[N+](=O)[O-])c2n1	ZINC000078148832	401841581	/nfs/dbraw/zinc/84/15/81/401841581.db2.gz	JBNYDQQWNQSAFI-UHFFFAOYSA-N	0	0	323.312	2.149	10	5		DEBERN
Cc1cc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)ccc1[N+](=O)[O-]	ZINC000116118092	401842474	/nfs/dbraw/zinc/84/24/74/401842474.db2.gz	DJFLPZBJMZADBG-CYBMUJFWSA-N	0	0	314.345	2.266	10	5		DEBERN
CCOC(=O)CC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000089803086	401964621	/nfs/dbraw/zinc/96/46/21/401964621.db2.gz	XAITYQXDJUDFEL-LLVKDONJSA-N	0	0	308.334	2.365	10	5		DEBERN
Cc1cn(S(=O)(=O)c2ccccc2)c2ncc([N+](=O)[O-])cc12	ZINC000095936924	402034520	/nfs/dbraw/zinc/03/45/20/402034520.db2.gz	HCASNSHIGXZOPH-UHFFFAOYSA-N	0	0	317.326	2.490	10	5		DEBERN
C[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1	ZINC000054647562	402070830	/nfs/dbraw/zinc/07/08/30/402070830.db2.gz	ZAMJSQQDXNMMOE-RISCZKNCSA-N	0	0	307.350	2.004	10	5		DEBERN
Cc1ccc(S(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1	ZINC000152575648	402101095	/nfs/dbraw/zinc/10/10/95/402101095.db2.gz	VVBPYYZORWLGIR-VXGBXAGGSA-N	0	0	310.375	2.324	10	5		DEBERN
CCCN(CC(=O)OCC)C(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000125232432	402220185	/nfs/dbraw/zinc/22/01/85/402220185.db2.gz	HVZLCELMQFETRR-UHFFFAOYSA-N	0	0	314.363	2.380	10	5		DEBERN
Cc1ccn2c(c1)nnc2NC(=O)c1csc([N+](=O)[O-])c1	ZINC000176308945	402298357	/nfs/dbraw/zinc/29/83/57/402298357.db2.gz	QHZHEXFNUCCJJC-UHFFFAOYSA-N	0	0	303.303	2.260	10	5		DEBERN
Cc1ccnc(N2CC[C@H](C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-]	ZINC000176957383	402354089	/nfs/dbraw/zinc/35/40/89/402354089.db2.gz	LXMZZRSHADCSNA-NSHDSACASA-N	0	0	307.350	2.466	10	5		DEBERN
Cc1cnc(N2CC[C@@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1	ZINC000176957582	402354209	/nfs/dbraw/zinc/35/42/09/402354209.db2.gz	HFIPMQADYIRQRO-LLVKDONJSA-N	0	0	307.350	2.466	10	5		DEBERN
CC[C@@H](NC(=O)NC[C@@H](O)C(C)C)c1cccc([N+](=O)[O-])c1	ZINC000176707271	402329952	/nfs/dbraw/zinc/32/99/52/402329952.db2.gz	AUUQHJBMCXBZTR-ZIAGYGMSSA-N	0	0	309.366	2.362	10	5		DEBERN
O=[N+]([O-])c1cc(Cl)ccc1CN1CCO[C@]2(CCOC2)C1	ZINC000185182002	402331655	/nfs/dbraw/zinc/33/16/55/402331655.db2.gz	QRTBRTCDOXNBPI-CQSZACIVSA-N	0	0	312.753	2.240	10	5		DEBERN
COCCCCS(=O)(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1	ZINC000186361868	402425239	/nfs/dbraw/zinc/42/52/39/402425239.db2.gz	CXLFGJFPDNJUJW-LLVKDONJSA-N	0	0	316.379	2.002	10	5		DEBERN
CCN(CC(F)F)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000186441885	402431175	/nfs/dbraw/zinc/43/11/75/402431175.db2.gz	CYAZCTJYEWWQAP-UHFFFAOYSA-N	0	0	308.306	2.012	10	5		DEBERN
O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1Cn1ccnc1	ZINC000177809736	402438468	/nfs/dbraw/zinc/43/84/68/402438468.db2.gz	JQFOCSRZEMGFSQ-CQSZACIVSA-N	0	0	314.345	2.025	10	5		DEBERN
Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CCc2cc(Cl)ccc21	ZINC000163747265	402456666	/nfs/dbraw/zinc/45/66/66/402456666.db2.gz	JASNNQZWKXHWAV-LLVKDONJSA-N	0	0	320.736	2.399	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2cc[nH]n2)C1	ZINC000170672268	402512440	/nfs/dbraw/zinc/51/24/40/402512440.db2.gz	IPEULKWGSZNIIQ-LLVKDONJSA-N	0	0	315.333	2.041	10	5		DEBERN
CC(=O)c1ccccc1OCCn1cc([N+](=O)[O-])cc(C)c1=O	ZINC000178224310	402473797	/nfs/dbraw/zinc/47/37/97/402473797.db2.gz	QQJDUSBEOLPUQP-UHFFFAOYSA-N	0	0	316.313	2.347	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](Oc3cccnc3)C2)n1	ZINC000178267228	402478063	/nfs/dbraw/zinc/47/80/63/402478063.db2.gz	ZWRBVIGUUMRTLT-CYBMUJFWSA-N	0	0	300.318	2.351	10	5		DEBERN
COc1ccccc1NC(=O)COc1ncc(C)cc1[N+](=O)[O-]	ZINC000178279648	402479306	/nfs/dbraw/zinc/47/93/06/402479306.db2.gz	NJTAORDKKUTSME-UHFFFAOYSA-N	0	0	317.301	2.324	10	5		DEBERN
COC(=O)c1cncc(NC(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000178394212	402493620	/nfs/dbraw/zinc/49/36/20/402493620.db2.gz	VQIAHMSIRFHMOP-UHFFFAOYSA-N	0	0	301.258	2.029	10	5		DEBERN
COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC(C)(C)O2)c1	ZINC000187330379	402494515	/nfs/dbraw/zinc/49/45/15/402494515.db2.gz	AJWZQRPDMRHGQW-LLVKDONJSA-N	0	0	308.334	2.291	10	5		DEBERN
Cc1cc(C(=O)NCc2ccc(CO)c(F)c2)cc([N+](=O)[O-])c1	ZINC000170855063	402533019	/nfs/dbraw/zinc/53/30/19/402533019.db2.gz	ZTSZBVCIKPADQT-UHFFFAOYSA-N	0	0	318.304	2.465	10	5		DEBERN
Cn1cc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cn1	ZINC000171352771	402579787	/nfs/dbraw/zinc/57/97/87/402579787.db2.gz	JATAFBPFZHOJGS-SNVBAGLBSA-N	0	0	306.347	2.367	10	5		DEBERN
C[C@H]1OCC[C@@H]1S(=O)(=O)Oc1cc([N+](=O)[O-])ccc1Cl	ZINC000190207339	402584621	/nfs/dbraw/zinc/58/46/21/402584621.db2.gz	IUZRNQOHLOETMX-HQJQHLMTSA-N	0	0	321.738	2.134	10	5		DEBERN
CCc1n[nH]c(C(=O)NC[C@H]2C[C@H]2c2ccccc2)c1[N+](=O)[O-]	ZINC000171878394	402631471	/nfs/dbraw/zinc/63/14/71/402631471.db2.gz	YRDLYRRXNSHNBH-NEPJUHHUSA-N	0	0	314.345	2.414	10	5		DEBERN
CC(C)CC[C@](C)(O)CNC(=O)c1c(N)cccc1[N+](=O)[O-]	ZINC000181144077	402636719	/nfs/dbraw/zinc/63/67/19/402636719.db2.gz	AYPANTYLTOCJNI-HNNXBMFYSA-N	0	0	309.366	2.094	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1[C@@H](C)CC(O)C[C@@H]1C	ZINC000191150714	402645862	/nfs/dbraw/zinc/64/58/62/402645862.db2.gz	NVVMXRMAARJJKD-RYUDHWBXSA-N	0	0	321.377	2.075	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(Cl)cn1	ZINC000181647206	402652782	/nfs/dbraw/zinc/65/27/82/402652782.db2.gz	WVHYXIYNZUSYON-UHFFFAOYSA-N	0	0	306.709	2.277	10	5		DEBERN
Cc1nc(CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)no1	ZINC000191326059	402661046	/nfs/dbraw/zinc/66/10/46/402661046.db2.gz	BAGFLYZKFYJKKG-UHFFFAOYSA-N	0	0	305.294	2.225	10	5		DEBERN
Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)CC1CC(O)C1	ZINC000191371970	402664698	/nfs/dbraw/zinc/66/46/98/402664698.db2.gz	RKKFHWCMBVQYNG-UHFFFAOYSA-N	0	0	307.350	2.446	10	5		DEBERN
Cc1nc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)no1	ZINC000174464456	402742397	/nfs/dbraw/zinc/74/23/97/402742397.db2.gz	PKUAZGGFTUKOKU-UHFFFAOYSA-N	0	0	311.685	2.261	10	5		DEBERN
CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000174979669	402768814	/nfs/dbraw/zinc/76/88/14/402768814.db2.gz	SLPHSJLSVVESTN-UKRRQHHQSA-N	0	0	303.362	2.294	10	5		DEBERN
CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](NC(C)=O)C1	ZINC000175101875	402779697	/nfs/dbraw/zinc/77/96/97/402779697.db2.gz	GSQWESRCDPIDKY-AWEZNQCLSA-N	0	0	321.377	2.094	10	5		DEBERN
CCOc1cccc(N2CC[C@@](O)(C(F)(F)F)C2)c1[N+](=O)[O-]	ZINC000184121896	402820143	/nfs/dbraw/zinc/82/01/43/402820143.db2.gz	DBIKIZMIOOGFDZ-LBPRGKRZSA-N	0	0	320.267	2.497	10	5		DEBERN
Cn1cc([C@]2(C)CN(c3ccc([N+](=O)[O-])cc3F)CCO2)cn1	ZINC000268410522	403080613	/nfs/dbraw/zinc/08/06/13/403080613.db2.gz	SVNDUNICFBRWIF-HNNXBMFYSA-N	0	0	320.324	2.219	10	5		DEBERN
CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1nnc(C)[nH]1	ZINC000286427327	403524208	/nfs/dbraw/zinc/52/42/08/403524208.db2.gz	QJRGHYASCHVCEB-DDXVTDLHSA-N	0	0	315.333	2.302	10	5		DEBERN
C[C@H](Nc1ccc([N+](=O)[O-])cn1)C(=O)N1CCc2ccccc21	ZINC000301189301	403599512	/nfs/dbraw/zinc/59/95/12/403599512.db2.gz	QYHJOCXOGVDTRF-NSHDSACASA-N	0	0	312.329	2.380	10	5		DEBERN
CC(=O)c1cc(N2CC[C@](O)(C(F)(F)F)C2)ccc1[N+](=O)[O-]	ZINC000287342815	403578801	/nfs/dbraw/zinc/57/88/01/403578801.db2.gz	OZIKUPMWUWBXMQ-GFCCVEGCSA-N	0	0	318.251	2.301	10	5		DEBERN
CC(=O)c1ccc(N[C@@H]2CCC[C@H](C(N)=O)C2)c([N+](=O)[O-])c1	ZINC000301350410	403618529	/nfs/dbraw/zinc/61/85/29/403618529.db2.gz	IRPQMBHVJFGFOC-NWDGAFQWSA-N	0	0	305.334	2.253	10	5		DEBERN
CNC(=O)[C@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)C(C)C	ZINC000301754464	403674626	/nfs/dbraw/zinc/67/46/26/403674626.db2.gz	CMXOKFRXILJGSS-LLVKDONJSA-N	0	0	317.292	2.379	10	5		DEBERN
CC[C@@H](C)CN(C)c1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1	ZINC000301774450	403676234	/nfs/dbraw/zinc/67/62/34/403676234.db2.gz	FXFSLYUHBBTUCF-SNVBAGLBSA-N	0	0	300.380	2.481	10	5		DEBERN
Cn1ccnc1C[C@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1	ZINC000360884185	404844419	/nfs/dbraw/zinc/84/44/19/404844419.db2.gz	QFOVMBSUKRZBAN-GFCCVEGCSA-N	0	0	301.350	2.182	10	5		DEBERN
CC(=O)c1ccc([N+](=O)[O-])cc1N1CCO[C@@]2(CCCOC2)C1	ZINC000367462002	405056735	/nfs/dbraw/zinc/05/67/35/405056735.db2.gz	BMTQUYWKTHRDPM-INIZCTEOSA-N	0	0	320.345	2.183	10	5		DEBERN
Cn1c(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)ccc1[N+](=O)[O-]	ZINC000407961351	405076501	/nfs/dbraw/zinc/07/65/01/405076501.db2.gz	DKEAGIMOSBVULT-SCRDCRAPSA-N	0	0	321.377	2.089	10	5		DEBERN
C/C=C\C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCC	ZINC000361539216	405121724	/nfs/dbraw/zinc/12/17/24/405121724.db2.gz	UVSOUYLTZOJWIG-HSBHDXMMSA-N	0	0	306.318	2.223	10	5		DEBERN
O=[N+]([O-])c1cnc(NC[C@@H]2[C@H]3COC[C@H]32)c(Br)c1	ZINC000367732544	405138794	/nfs/dbraw/zinc/13/87/94/405138794.db2.gz	AQBPQSZBFFFDTQ-PSVAKVPMSA-N	0	0	314.139	2.057	10	5		DEBERN
O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC12CCC2	ZINC000408369113	405187930	/nfs/dbraw/zinc/18/79/30/405187930.db2.gz	RMACDDSAVAIOMD-UHFFFAOYSA-N	0	0	304.302	2.135	10	5		DEBERN
Cc1cc(N2CCC(Nc3ccc([N+](=O)[O-])nc3)CC2)n[nH]1	ZINC000450474752	405919517	/nfs/dbraw/zinc/91/95/17/405919517.db2.gz	RYTHDZNZSIAXFG-UHFFFAOYSA-N	0	0	302.338	2.102	10	5		DEBERN
CC[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(F)F	ZINC000451076588	406041680	/nfs/dbraw/zinc/04/16/80/406041680.db2.gz	AFTTXMXHCRATJN-SNVBAGLBSA-N	0	0	308.306	2.058	10	5		DEBERN
CCOc1c(C=O)c(I)ccc1[N+](=O)[O-]	ZINC000575698361	406819922	/nfs/dbraw/zinc/81/99/22/406819922.db2.gz	MIWHGLROUUBILE-UHFFFAOYSA-N	0	0	321.070	2.411	10	5		DEBERN
CCOC(=O)CN(c1cc(F)cc(F)c1[N+](=O)[O-])C1CC1	ZINC000129399886	196044550	/nfs/dbraw/zinc/04/45/50/196044550.db2.gz	MAIWUZYBAQKYJY-UHFFFAOYSA-N	0	0	300.261	2.405	10	5		DEBERN
Cc1noc(C)c1C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1C	ZINC000130530750	196087522	/nfs/dbraw/zinc/08/75/22/196087522.db2.gz	NGIJBHVTWABTCV-QMMMGPOBSA-N	0	0	318.333	2.264	10	5		DEBERN
CS[C@H](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000130584056	196093376	/nfs/dbraw/zinc/09/33/76/196093376.db2.gz	FCDTYWYXDBJJHC-MRVPVSSYSA-N	0	0	322.383	2.154	10	5		DEBERN
Nc1cc(S(=O)(=O)N2CCCCCCC2)ccc1[N+](=O)[O-]	ZINC000131657361	196188368	/nfs/dbraw/zinc/18/83/68/196188368.db2.gz	ULKBXWIKMAYHEW-UHFFFAOYSA-N	0	0	313.379	2.132	10	5		DEBERN
CCCNc1cc(S(=O)(=O)NCC(C)C)ccc1[N+](=O)[O-]	ZINC000131726157	196194560	/nfs/dbraw/zinc/19/45/60/196194560.db2.gz	BFJQRBBTJPNEHF-UHFFFAOYSA-N	0	0	315.395	2.351	10	5		DEBERN
CCNc1cc(S(=O)(=O)N(C)C(C)C)ccc1[N+](=O)[O-]	ZINC000131777067	196198707	/nfs/dbraw/zinc/19/87/07/196198707.db2.gz	VIFOCWRBBLDTKB-UHFFFAOYSA-N	0	0	301.368	2.056	10	5		DEBERN
CCC[C@@H](CC)NS(=O)(=O)c1ccc([N+](=O)[O-])c(NC)c1	ZINC000132029725	196220746	/nfs/dbraw/zinc/22/07/46/196220746.db2.gz	ZZAGPCBPMMISLG-SNVBAGLBSA-N	0	0	315.395	2.494	10	5		DEBERN
NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12	ZINC000132459115	196257966	/nfs/dbraw/zinc/25/79/66/196257966.db2.gz	CQXXYPRQXOGYMM-CFVMTHIKSA-N	0	0	324.340	2.087	10	5		DEBERN
CCNc1ncnc(N(CC(F)(F)F)C2CC2)c1[N+](=O)[O-]	ZINC000132589372	196267970	/nfs/dbraw/zinc/26/79/70/196267970.db2.gz	DSGYBGUTNGITOF-UHFFFAOYSA-N	0	0	305.260	2.348	10	5		DEBERN
CSCC[C@H](C)NC(=O)c1cc(N)c(F)cc1[N+](=O)[O-]	ZINC000132648715	196273658	/nfs/dbraw/zinc/27/36/58/196273658.db2.gz	NGGVIFPNVLQDCQ-ZETCQYMHSA-N	0	0	301.343	2.188	10	5		DEBERN
CN(C)c1ncccc1CNC(=O)c1ccc(F)cc1[N+](=O)[O-]	ZINC000132746104	196279814	/nfs/dbraw/zinc/27/98/14/196279814.db2.gz	BASLIOZVTMZJAG-UHFFFAOYSA-N	0	0	318.308	2.125	10	5		DEBERN
CCN(C1CC1)S(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1	ZINC000133204057	196320547	/nfs/dbraw/zinc/32/05/47/196320547.db2.gz	LLDKRGHMHKVRMH-UHFFFAOYSA-N	0	0	302.327	2.215	10	5		DEBERN
O=C(NCc1ccc(O)cc1)c1ccnc(Cl)c1[N+](=O)[O-]	ZINC000133927388	196346892	/nfs/dbraw/zinc/34/68/92/196346892.db2.gz	IYYYMOTWUIQPAH-UHFFFAOYSA-N	0	0	307.693	2.279	10	5		DEBERN
CS(=O)(=O)CCn1nc(C2CCCC2)c([N+](=O)[O-])c1Cl	ZINC000134271607	196375911	/nfs/dbraw/zinc/37/59/11/196375911.db2.gz	WEMITJOOGIGRPA-UHFFFAOYSA-N	0	0	321.786	2.147	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC1(CCO)CC1	ZINC000189386500	225050936	/nfs/dbraw/zinc/05/09/36/225050936.db2.gz	DRCRDASUPSDGSL-UHFFFAOYSA-N	0	0	307.350	2.496	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)n1	ZINC000191578667	225113324	/nfs/dbraw/zinc/11/33/24/225113324.db2.gz	IUYMBGJOSMPNIG-NEPJUHHUSA-N	0	0	318.308	2.236	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2nc(C)cs2)n1	ZINC000191595161	225113714	/nfs/dbraw/zinc/11/37/14/225113714.db2.gz	LMKWGEXWRHETBN-MRVPVSSYSA-N	0	0	309.351	2.067	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(C)s2)n1	ZINC000191596625	225113805	/nfs/dbraw/zinc/11/38/05/225113805.db2.gz	JIMUDBQYSIAOTH-UHFFFAOYSA-N	0	0	308.363	2.453	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCCc2ccc(C)cc2C)n1	ZINC000191576426	225113918	/nfs/dbraw/zinc/11/39/18/225113918.db2.gz	KRDINIQJJCMPCZ-UHFFFAOYSA-N	0	0	316.361	2.401	10	5		DEBERN
CCOCCN1CCN(c2cccc(OC)c2[N+](=O)[O-])C[C@H]1C	ZINC000249299825	276323992	/nfs/dbraw/zinc/32/39/92/276323992.db2.gz	NUMRLHQBAYHMKI-CYBMUJFWSA-N	0	0	323.393	2.150	10	5		DEBERN
CCn1nc(C)c([N+](=O)[O-])c1NCc1cccnc1N(C)C	ZINC000192495394	276722392	/nfs/dbraw/zinc/72/23/92/276722392.db2.gz	BKLYHBKQHSFVSS-UHFFFAOYSA-N	0	0	304.354	2.193	10	5		DEBERN
C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CCC1=O	ZINC000275446543	278446986	/nfs/dbraw/zinc/44/69/86/278446986.db2.gz	XAZSOBKULWFENY-ZETCQYMHSA-N	0	0	314.139	2.168	10	5		DEBERN
Nc1c(C(=O)N[C@H]2CCOc3ccccc32)cccc1[N+](=O)[O-]	ZINC000178149618	279693872	/nfs/dbraw/zinc/69/38/72/279693872.db2.gz	NODIVZZFUSQUSH-LBPRGKRZSA-N	0	0	313.313	2.431	10	5		DEBERN
Cc1ccc([C@H](C)NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1F	ZINC000121696786	281761235	/nfs/dbraw/zinc/76/12/35/281761235.db2.gz	CHXAQHJCBKWHQE-JTQLQIEISA-N	0	0	306.297	2.116	10	5		DEBERN
Cc1cnn(C[C@H]2CN(c3cccc(F)c3[N+](=O)[O-])CCO2)c1	ZINC000108949963	293003767	/nfs/dbraw/zinc/00/37/67/293003767.db2.gz	OGYHTLXKUQZYST-GFCCVEGCSA-N	0	0	320.324	2.144	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCOc2cccc(F)c21	ZINC000157340435	293608086	/nfs/dbraw/zinc/60/80/86/293608086.db2.gz	UQIMHISMWCPEJO-UHFFFAOYSA-N	0	0	317.276	2.477	10	5		DEBERN
Cn1cnnc1[C@@H]1CCCN(c2cc(F)ccc2[N+](=O)[O-])C1	ZINC000302822570	294491936	/nfs/dbraw/zinc/49/19/36/294491936.db2.gz	SODBTZJUSGXENJ-SNVBAGLBSA-N	0	0	305.313	2.246	10	5		DEBERN
CC(C)(C)OC(=O)NCCn1ncc2cc([N+](=O)[O-])ccc21	ZINC000584601193	337370811	/nfs/dbraw/zinc/37/08/11/337370811.db2.gz	XTIGKUHWCCEVIH-UHFFFAOYSA-N	0	0	306.322	2.469	10	5		DEBERN
COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CCC[C@H](C(N)=O)C2)c1	ZINC000301487253	533996165	/nfs/dbraw/zinc/99/61/65/533996165.db2.gz	YKAZYJLSDAKRHT-DTWKUNHWSA-N	0	0	311.313	2.199	10	5		DEBERN
COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@H]2CCCC[C@@H]2O)c1	ZINC000302163774	534244675	/nfs/dbraw/zinc/24/46/75/534244675.db2.gz	KKDWNVRSFJPXBE-DOMZBBRYSA-N	0	0	322.361	2.369	10	5		DEBERN
CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@H]2CCC[C@@H](C1)C2O	ZINC000377142104	534879720	/nfs/dbraw/zinc/87/97/20/534879720.db2.gz	QATKUMIXGBBSJD-HBBFGDNQSA-N	0	0	304.346	2.395	10	5		DEBERN
CC(C)Oc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])nn1	ZINC000191316021	528182836	/nfs/dbraw/zinc/18/28/36/528182836.db2.gz	RBWARPSJQVQDGE-UHFFFAOYSA-N	0	0	316.317	2.353	10	5		DEBERN
C[C@@H](CCNC(=O)c1cccc([N+](=O)[O-])c1Cl)[S@](C)=O	ZINC000229794657	636668351	/nfs/dbraw/zinc/66/83/51/636668351.db2.gz	DZHWBXXXKZTUGQ-FHZGZLOMSA-N	0	0	318.782	2.135	10	5		DEBERN
C[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccncc1	ZINC000749467809	638653051	/nfs/dbraw/zinc/65/30/51/638653051.db2.gz	QURYRRPEODEFCV-JTQLQIEISA-N	0	0	300.318	2.106	10	5		DEBERN
CCOC(=O)[C@@H](CC1CC1)NC(=O)c1cccc(C)c1[N+](=O)[O-]	ZINC000752387416	639179742	/nfs/dbraw/zinc/17/97/42/639179742.db2.gz	YOFALNMMGBHDEZ-CYBMUJFWSA-N	0	0	320.345	2.365	10	5		DEBERN
Cc1c(Br)c(N[C@@H](C)[C@H](C)O)ncc1[N+](=O)[O-]	ZINC000343797321	640629266	/nfs/dbraw/zinc/62/92/66/640629266.db2.gz	UFEJBOLMAJMDJP-BQBZGAKWSA-N	0	0	304.144	2.242	10	5		DEBERN
COc1ccc(CN2CCO[C@@H](C(F)F)C2)cc1[N+](=O)[O-]	ZINC000801562672	645416059	/nfs/dbraw/zinc/41/60/59/645416059.db2.gz	CDFNTQWKKWULIH-GFCCVEGCSA-N	0	0	302.277	2.069	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC12CC2	ZINC000801742662	645436861	/nfs/dbraw/zinc/43/68/61/645436861.db2.gz	CWBNUGHTLNCWJD-ZRDIBKRKSA-N	0	0	302.330	2.390	10	5		DEBERN
Cc1c(OC(=O)[C@@H]2CCCN2C(=O)C(C)C)cccc1[N+](=O)[O-]	ZINC000055651696	646448457	/nfs/dbraw/zinc/44/84/57/646448457.db2.gz	IXLWHZWFZJAFDP-ZDUSSCGKSA-N	0	0	320.345	2.456	10	5		DEBERN
Cn1cccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1=O	ZINC000170222207	646641329	/nfs/dbraw/zinc/64/13/29/646641329.db2.gz	CRFWFCOFCUCXHV-UHFFFAOYSA-N	0	0	307.693	2.199	10	5		DEBERN
Cc1ccc([C@H](C)OC(=O)CCc2nnc[nH]2)cc1[N+](=O)[O-]	ZINC000152863202	647292287	/nfs/dbraw/zinc/29/22/87/647292287.db2.gz	SBOXGGJUGYYGLJ-JTQLQIEISA-N	0	0	304.306	2.258	10	5		DEBERN
CCCCOCCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	ZINC000194382246	647668404	/nfs/dbraw/zinc/66/84/04/647668404.db2.gz	VVQHNFTWIMTTNE-UHFFFAOYSA-N	0	0	309.322	2.154	10	5		DEBERN
Cc1cnc(NCc2cccnc2-n2ccnc2)c([N+](=O)[O-])c1	ZINC000078629557	683964973	/nfs/dbraw/zinc/96/49/73/683964973.db2.gz	JETLNDOGJVAHTE-UHFFFAOYSA-N	0	0	310.317	2.491	10	5		DEBERN
C[C@@H](Cn1cccn1)OC(=O)CCc1cccc([N+](=O)[O-])c1	ZINC000088818414	684019244	/nfs/dbraw/zinc/01/92/44/684019244.db2.gz	MBOWFGRGISIDLT-LBPRGKRZSA-N	0	0	303.318	2.356	10	5		DEBERN
C[C@@H]1OCC[C@H]1S(=O)(=O)Oc1ccc([N+](=O)[O-])c(Cl)c1	ZINC000135548150	684235990	/nfs/dbraw/zinc/23/59/90/684235990.db2.gz	FEJXLFGOIAYDNU-WRWORJQWSA-N	0	0	321.738	2.134	10	5		DEBERN
O=C(OCC(F)(F)F)c1ccn(-c2ccccc2[N+](=O)[O-])n1	ZINC000136087691	684238038	/nfs/dbraw/zinc/23/80/38/684238038.db2.gz	JNCZDDZRZKVEIP-UHFFFAOYSA-N	0	0	315.207	2.500	10	5		DEBERN
COC(=O)[C@H](NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1)C(C)C	ZINC000588443862	777197037	/nfs/dbraw/zinc/19/70/37/777197037.db2.gz	NNBZFGDJOZZEJI-RBJHHQRMSA-N	0	0	320.345	2.312	10	5		DEBERN
CC[C@H](C[C@@H](C)O)Nc1c(Br)cncc1[N+](=O)[O-]	ZINC000716940542	797644784	/nfs/dbraw/zinc/64/47/84/797644784.db2.gz	QYFMHOIGJBZMJN-HTQZYQBOSA-N	0	0	318.171	2.136	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)ccc2OC)n1	ZINC000138483239	282099585	/nfs/dbraw/zinc/09/95/85/282099585.db2.gz	TVUZRMPARYDQPB-UHFFFAOYSA-N	0	0	304.306	2.381	10	5		DEBERN
COC(=O)[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C1	ZINC000163209642	197616759	/nfs/dbraw/zinc/61/67/59/197616759.db2.gz	WBFGLOKOCUJIHJ-LLVKDONJSA-N	0	0	321.333	2.320	10	5		DEBERN
O=[N+]([O-])c1ccc(Br)cc1N(CCO)C1CC1	ZINC000087835046	185232716	/nfs/dbraw/zinc/23/27/16/185232716.db2.gz	BPEIWSMWXGGCMP-UHFFFAOYSA-N	0	0	301.140	2.318	10	5		DEBERN
CC[C@H](NC(=O)CCCC(=O)N(C)C)c1cccc([N+](=O)[O-])c1	ZINC000177808455	282209013	/nfs/dbraw/zinc/20/90/13/282209013.db2.gz	DTCIVGWFGCYKTN-AWEZNQCLSA-N	0	0	321.377	2.421	10	5		DEBERN
COC(=O)[C@@H](C)C[S@](=O)Cc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000090105170	185282393	/nfs/dbraw/zinc/28/23/93/185282393.db2.gz	UFRCVFYUTISMSM-FFVOIRBGSA-N	0	0	319.766	2.306	10	5		DEBERN
CCCc1nn(C)c(SC[C@@H](C)C(=O)OC)c1[N+](=O)[O-]	ZINC000090104220	185282410	/nfs/dbraw/zinc/28/24/10/185282410.db2.gz	HXNGLBCTFJIDES-MRVPVSSYSA-N	0	0	301.368	2.182	10	5		DEBERN
CCCN(CCO)C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1	ZINC000090689246	185309734	/nfs/dbraw/zinc/30/97/34/185309734.db2.gz	PRNITHJLEOMCQE-AWEZNQCLSA-N	0	0	309.366	2.460	10	5		DEBERN
CCOc1ccc(C(=O)N2CC[C@H](C)[C@@H](OC)C2)cc1[N+](=O)[O-]	ZINC000187849413	282292243	/nfs/dbraw/zinc/29/22/43/282292243.db2.gz	IXBFOSAKLSOAIE-NHYWBVRUSA-N	0	0	322.361	2.491	10	5		DEBERN
CNC(=O)c1ccc(NC[C@@H]2CCC(C)(C)O2)c([N+](=O)[O-])c1	ZINC000302472983	529942546	/nfs/dbraw/zinc/94/25/46/529942546.db2.gz	WFTLIVUEUUTPBD-NSHDSACASA-N	0	0	307.350	2.324	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccnc1N(C)C	ZINC000194804777	282366067	/nfs/dbraw/zinc/36/60/67/282366067.db2.gz	XUYZGYNUDUCBIH-UHFFFAOYSA-N	0	0	314.345	2.294	10	5		DEBERN
Cc1nnc(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)s1	ZINC000123758723	185839148	/nfs/dbraw/zinc/83/91/48/185839148.db2.gz	ORJPENPSYHAUCM-UHFFFAOYSA-N	0	0	313.726	2.243	10	5		DEBERN
O=C(NC[C@@H](O)C1CC1)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1	ZINC000071307180	190955062	/nfs/dbraw/zinc/95/50/62/190955062.db2.gz	PAPMINDNMCFJSL-SNVBAGLBSA-N	0	0	319.144	2.402	10	5		DEBERN
CC(C)(C)ONS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000148832184	186046081	/nfs/dbraw/zinc/04/60/81/186046081.db2.gz	XNQBNLXQEOQMAV-UHFFFAOYSA-N	0	0	308.743	2.257	10	5		DEBERN
O=[N+]([O-])c1cc(Br)c(F)cc1NN1CCOCC1	ZINC000148503607	186045130	/nfs/dbraw/zinc/04/51/30/186045130.db2.gz	NOMUBGYQZXLBHM-UHFFFAOYSA-N	0	0	320.118	2.156	10	5		DEBERN
CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000164381520	186158224	/nfs/dbraw/zinc/15/82/24/186158224.db2.gz	HMZHEFXNFJGEIU-GFCCVEGCSA-N	0	0	309.366	2.007	10	5		DEBERN
COc1cc(N2CCN(CC(F)F)CC2)c(F)cc1[N+](=O)[O-]	ZINC000270550565	282715618	/nfs/dbraw/zinc/71/56/18/282715618.db2.gz	HEMBSHLOVJDELV-UHFFFAOYSA-N	0	0	319.283	2.130	10	5		DEBERN
COc1cc(NCc2nc(C3CC3)no2)c([N+](=O)[O-])cc1OC	ZINC000302765594	186744203	/nfs/dbraw/zinc/74/42/03/186744203.db2.gz	LMOQKYUAMRMXOD-UHFFFAOYSA-N	0	0	320.305	2.485	10	5		DEBERN
Cc1ccc([C@@H]2CCCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)o1	ZINC000172668084	198134337	/nfs/dbraw/zinc/13/43/37/198134337.db2.gz	AHNXNUYDONDKIK-ZDUSSCGKSA-N	0	0	318.333	2.447	10	5		DEBERN
C=C[S@@](=O)c1sc(Cl)c(N2CCOCC2)c1[N+](=O)[O-]	ZINC000004301282	181094680	/nfs/dbraw/zinc/09/46/80/181094680.db2.gz	JMYKVYIOIYMTPA-IBGZPJMESA-N	0	0	322.795	2.397	10	5		DEBERN
C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc2c(c1)OCCO2	ZINC000045904246	354266389	/nfs/dbraw/zinc/26/63/89/354266389.db2.gz	ANRSAWFKJBWGFJ-SECBINFHSA-N	0	0	318.285	2.450	10	5		DEBERN
C[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])[C@H]1CCCO1	ZINC000055280410	354491352	/nfs/dbraw/zinc/49/13/52/354491352.db2.gz	KHPPCLSQPCACBI-DGCLKSJQSA-N	0	0	308.334	2.047	10	5		DEBERN
CSCC(=O)Nc1cc(C)nn1-c1ccc([N+](=O)[O-])cc1	ZINC000073500119	191320956	/nfs/dbraw/zinc/32/09/56/191320956.db2.gz	JFEBOYVIPGKQCR-UHFFFAOYSA-N	0	0	306.347	2.390	10	5		DEBERN
O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[C@@H]1O	ZINC000078498556	355264421	/nfs/dbraw/zinc/26/44/21/355264421.db2.gz	NBAUDMHIMTZRCG-HZMBPMFUSA-N	0	0	321.333	2.124	10	5		DEBERN
COCCOC[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1	ZINC000075952500	191540931	/nfs/dbraw/zinc/54/09/31/191540931.db2.gz	MMHSBGYRTOXBNQ-LLVKDONJSA-N	0	0	300.380	2.141	10	5		DEBERN
CCc1nn(C)cc1CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000092959747	355658703	/nfs/dbraw/zinc/65/87/03/355658703.db2.gz	LGPQHIYDZFYFMD-UHFFFAOYSA-N	0	0	305.294	2.411	10	5		DEBERN
C[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H](C)CO	ZINC000077839464	191784510	/nfs/dbraw/zinc/78/45/10/191784510.db2.gz	ZYVZFIDMEJHOAS-CHWSQXEVSA-N	0	0	323.393	2.234	10	5		DEBERN
CCc1cnccc1C(=O)NCc1cc([N+](=O)[O-])ccc1OC	ZINC000182517316	356130793	/nfs/dbraw/zinc/13/07/93/356130793.db2.gz	WGRUQRDBPZJIHW-UHFFFAOYSA-N	0	0	315.329	2.491	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1CNc1cccc(S(N)(=O)=O)c1	ZINC000191693053	356219565	/nfs/dbraw/zinc/21/95/65/356219565.db2.gz	WTFYBOFEYKWLTB-UHFFFAOYSA-N	0	0	321.358	2.163	10	5		DEBERN
O=[N+]([O-])c1ccc(F)c(S(=O)(=O)N2CCCCCC2)c1	ZINC000081568119	192293428	/nfs/dbraw/zinc/29/34/28/192293428.db2.gz	TYFFSXUUFYYBPS-UHFFFAOYSA-N	0	0	302.327	2.299	10	5		DEBERN
CCC[C@H](COC)NC(=O)c1ccnc(Cl)c1[N+](=O)[O-]	ZINC000088806388	192644818	/nfs/dbraw/zinc/64/48/18/192644818.db2.gz	BPDCCRDPPXOGAU-MRVPVSSYSA-N	0	0	301.730	2.188	10	5		DEBERN
COc1c(CN(C)Cc2ccccc2[N+](=O)[O-])c(C)nn1C	ZINC000179316073	199014125	/nfs/dbraw/zinc/01/41/25/199014125.db2.gz	HITOANMQRMNFQF-UHFFFAOYSA-N	0	0	304.350	2.277	10	5		DEBERN
CCc1nn(C)c(NC[C@@H](O)c2ccccc2OC)c1[N+](=O)[O-]	ZINC000179568945	199056191	/nfs/dbraw/zinc/05/61/91/199056191.db2.gz	OIQWBIMPRUDJPB-GFCCVEGCSA-N	0	0	320.349	2.045	10	5		DEBERN
C[C@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CCS1	ZINC000179586140	199059721	/nfs/dbraw/zinc/05/97/21/199059721.db2.gz	VYCQJJDLJQSMEF-ZETCQYMHSA-N	0	0	322.433	2.002	10	5		DEBERN
COCC1(CNc2c(Br)cncc2[N+](=O)[O-])CC1	ZINC000594592356	358299569	/nfs/dbraw/zinc/29/95/69/358299569.db2.gz	KVDWVKAJIHVGPW-UHFFFAOYSA-N	0	0	316.155	2.013	10	5		DEBERN
CC(=O)N1C[C@@H]2CCC[C@H](Nc3ncc(F)cc3[N+](=O)[O-])[C@H]2C1	ZINC000601165836	359949553	/nfs/dbraw/zinc/94/95/53/359949553.db2.gz	IWBNZQWLTBFGAK-DRZSPHRISA-N	0	0	322.340	2.188	10	5		DEBERN
CC(=O)CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1	ZINC000602851667	360589565	/nfs/dbraw/zinc/58/95/65/360589565.db2.gz	BSUMVMZJMXEWHN-SHTZXODSSA-N	0	0	306.362	2.289	10	5		DEBERN
O=[N+]([O-])c1cc(CN2CCn3c(nnc3C3CC3)C2)cs1	ZINC000609283656	361295791	/nfs/dbraw/zinc/29/57/91/361295791.db2.gz	DGHWMTCDIQTKJD-UHFFFAOYSA-N	0	0	305.363	2.141	10	5		DEBERN
O=[N+]([O-])c1cnccc1N[C@@H]1CCOC2(CCSCC2)C1	ZINC000610915431	361492833	/nfs/dbraw/zinc/49/28/33/361492833.db2.gz	QZXFXCBLNCWINO-LLVKDONJSA-N	0	0	309.391	2.268	10	5		DEBERN
C[C@H](c1nc(C2CC2)no1)N1CCc2ncc([N+](=O)[O-])cc2C1	ZINC000611522263	361622478	/nfs/dbraw/zinc/62/24/78/361622478.db2.gz	RAOJEROMRQRXBJ-SECBINFHSA-N	0	0	315.333	2.370	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]2c2nncn2C)n1	ZINC000611617471	361645471	/nfs/dbraw/zinc/64/54/71/361645471.db2.gz	YNZLHPKEHNNZAZ-LLVKDONJSA-N	0	0	302.338	2.077	10	5		DEBERN
Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@](O)(C(F)(F)F)C1	ZINC000194746868	201283319	/nfs/dbraw/zinc/28/33/19/201283319.db2.gz	CSESRECMRVLZOZ-LBPRGKRZSA-N	0	0	318.251	2.043	10	5		DEBERN
CC(C)(C[C@@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1)C(N)=O	ZINC000450642199	242052847	/nfs/dbraw/zinc/05/28/47/242052847.db2.gz	ZYYZYPXPFLYBIE-NSHDSACASA-N	0	0	306.366	2.108	10	5		DEBERN
Nc1n[nH]cc1CNc1ccc(Br)cc1[N+](=O)[O-]	ZINC000093436510	193251688	/nfs/dbraw/zinc/25/16/88/193251688.db2.gz	BKUTWWOWZDGRIC-UHFFFAOYSA-N	0	0	312.127	2.275	10	5		DEBERN
CNc1cc(CSc2nc(C)cc(=O)[nH]2)ccc1[N+](=O)[O-]	ZINC000094778109	193396434	/nfs/dbraw/zinc/39/64/34/193396434.db2.gz	GJDRGEMGPMSUEN-UHFFFAOYSA-N	0	0	306.347	2.321	10	5		DEBERN
CCN(C(C)C)S(=O)(=O)c1cc([N+](=O)[O-])c(NC)cc1C	ZINC000094780501	193397589	/nfs/dbraw/zinc/39/75/89/193397589.db2.gz	CXPHABHHKGGKTA-UHFFFAOYSA-N	0	0	315.395	2.364	10	5		DEBERN
CCCCCNS(=O)(=O)c1cc([N+](=O)[O-])c(NC)cc1C	ZINC000094780358	193397633	/nfs/dbraw/zinc/39/76/33/193397633.db2.gz	HZGMXTFQKYNIGI-UHFFFAOYSA-N	0	0	315.395	2.413	10	5		DEBERN
CNc1cc(C)c(S(=O)(=O)N[C@@H](C)C2CC2)cc1[N+](=O)[O-]	ZINC000094780527	193397773	/nfs/dbraw/zinc/39/77/73/193397773.db2.gz	HEYCNBILIOPRJK-VIFPVBQESA-N	0	0	313.379	2.022	10	5		DEBERN
CNc1cc(C)c(S(=O)(=O)N[C@H]2CC2(C)C)cc1[N+](=O)[O-]	ZINC000094780582	193397861	/nfs/dbraw/zinc/39/78/61/193397861.db2.gz	UKZRWFAYPJXOIH-LBPRGKRZSA-N	0	0	313.379	2.022	10	5		DEBERN
C[C@@H](CS(C)(=O)=O)Nc1cc(F)c(Cl)cc1[N+](=O)[O-]	ZINC000097356454	193710375	/nfs/dbraw/zinc/71/03/75/193710375.db2.gz	IXPXZCLAFSZXSZ-LURJTMIESA-N	0	0	310.734	2.232	10	5		DEBERN
CC(C)COCCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-]	ZINC000161553092	197503484	/nfs/dbraw/zinc/50/34/84/197503484.db2.gz	QAJCGPRMYFQMIG-UHFFFAOYSA-N	0	0	316.379	2.083	10	5		DEBERN
NNc1ccc([N+](=O)[O-])c(Sc2ccc([N+](=O)[O-])cc2)n1	ZINC000161160099	197470707	/nfs/dbraw/zinc/47/07/07/197470707.db2.gz	OCLIOOVWLQWQMB-UHFFFAOYSA-N	0	0	307.291	2.335	10	5		DEBERN
O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCc2c1cccc2F	ZINC000097712994	193749256	/nfs/dbraw/zinc/74/92/56/193749256.db2.gz	SHUNHYWWDGGGLN-CQSZACIVSA-N	0	0	318.308	2.124	10	5		DEBERN
O=[N+]([O-])c1cc(CNc2cccnc2-n2cncn2)cs1	ZINC000040496068	183081324	/nfs/dbraw/zinc/08/13/24/183081324.db2.gz	CJFNKDPHWNETRI-UHFFFAOYSA-N	0	0	302.319	2.244	10	5		DEBERN
COc1ccc(Nc2ncnc(-n3ccnc3)c2[N+](=O)[O-])cc1	ZINC000040649558	183113968	/nfs/dbraw/zinc/11/39/68/183113968.db2.gz	ZVPADVIFJKFVQF-UHFFFAOYSA-N	0	0	312.289	2.323	10	5		DEBERN
COCCNc1ncnc(Nc2ccc(F)cc2)c1[N+](=O)[O-]	ZINC000040649361	183114035	/nfs/dbraw/zinc/11/40/35/183114035.db2.gz	CLTNWZPEQHYNDJ-UHFFFAOYSA-N	0	0	307.285	2.326	10	5		DEBERN
CCNc1ncnc(Oc2ccc(C(=O)OC)cc2)c1[N+](=O)[O-]	ZINC000040587548	183106253	/nfs/dbraw/zinc/10/62/53/183106253.db2.gz	MJCKVFORFQGUHR-UHFFFAOYSA-N	0	0	318.289	2.396	10	5		DEBERN
COc1ccc(N)cc1C[S@@](=O)c1ccccc1[N+](=O)[O-]	ZINC000040969434	183153026	/nfs/dbraw/zinc/15/30/26/183153026.db2.gz	UOSGDQYAXIBXAN-NRFANRHFSA-N	0	0	306.343	2.493	10	5		DEBERN
CC[C@@H](C)N(C)S(=O)(=O)c1cc(NC)ccc1[N+](=O)[O-]	ZINC000050651335	183793988	/nfs/dbraw/zinc/79/39/88/183793988.db2.gz	FCWBWAMLPALQFK-SECBINFHSA-N	0	0	301.368	2.056	10	5		DEBERN
Cc1sc2nc(Cn3cc([N+](=O)[O-])cn3)nc(N)c2c1C	ZINC000050818251	183805085	/nfs/dbraw/zinc/80/50/85/183805085.db2.gz	XBVFOLDCFPFVFC-UHFFFAOYSA-N	0	0	304.335	2.043	10	5		DEBERN
CCOC(=O)[C@](C)(COc1cc(Cl)ccc1[N+](=O)[O-])NC	ZINC000051625856	183831999	/nfs/dbraw/zinc/83/19/99/183831999.db2.gz	DPXVEZYEELEMAX-ZDUSSCGKSA-N	0	0	316.741	2.168	10	5		DEBERN
COC(=O)[C@@H](Nc1cc(OC)c(F)cc1[N+](=O)[O-])C(C)C	ZINC000110624894	194344170	/nfs/dbraw/zinc/34/41/70/194344170.db2.gz	XXNMWDKXXVDULY-LBPRGKRZSA-N	0	0	300.286	2.352	10	5		DEBERN
CCCN(CC(=O)OC)C(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000111010637	194382120	/nfs/dbraw/zinc/38/21/20/194382120.db2.gz	WKWBAQQDDCGXRO-UHFFFAOYSA-N	0	0	314.725	2.273	10	5		DEBERN
CC1(CNS(=O)(=O)c2ccc(N)cc2[N+](=O)[O-])CCCC1	ZINC000111624228	194412488	/nfs/dbraw/zinc/41/24/88/194412488.db2.gz	JDSMMAZULCPGRD-UHFFFAOYSA-N	0	0	313.379	2.036	10	5		DEBERN
O=C1c2nc3ccccc3nc2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000059382105	184138077	/nfs/dbraw/zinc/13/80/77/184138077.db2.gz	HYPJMDACRPVNGV-UHFFFAOYSA-N	0	0	320.264	2.339	10	5		DEBERN
COC(=O)[C@H](CCSc1ccc([N+](=O)[O-])cc1)NC1CC1	ZINC000062596635	184245187	/nfs/dbraw/zinc/24/51/87/184245187.db2.gz	VZMNRPKGTAFAGO-ZDUSSCGKSA-N	0	0	310.375	2.371	10	5		DEBERN
O=C1[C@@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1F	ZINC000000224925	284990949	/nfs/dbraw/zinc/99/09/49/284990949.db2.gz	GQGWKBHKXJCSDL-GRUGVGOFSA-N	0	0	302.261	2.045	10	5		DEBERN
COc1cc(NC(=O)CNc2ccccc2[N+](=O)[O-])ccc1O	ZINC000438087459	532982596	/nfs/dbraw/zinc/98/25/96/532982596.db2.gz	FVWOHBQUDSECJN-UHFFFAOYSA-N	0	0	317.301	2.360	10	5		DEBERN
CS(=O)(=O)CCc1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1	ZINC000120157881	195107441	/nfs/dbraw/zinc/10/74/41/195107441.db2.gz	JRRBSVWQKWTKMK-UHFFFAOYSA-N	0	0	321.358	2.321	10	5		DEBERN
C[C@@H]1OCC[C@H]1N(C)C(=O)c1cc(F)c(F)cc1[N+](=O)[O-]	ZINC000159064048	197324101	/nfs/dbraw/zinc/32/41/01/197324101.db2.gz	VHMYEARTGYVUOZ-WRWORJQWSA-N	0	0	300.261	2.122	10	5		DEBERN
CCCCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1	ZINC000157540692	197195448	/nfs/dbraw/zinc/19/54/48/197195448.db2.gz	SELXNYUVQMJPMH-UHFFFAOYSA-N	0	0	307.397	2.049	10	5		DEBERN
O=c1oc2ccc([N+](=O)[O-])cc2n1Cc1nnc(Cl)s1	ZINC000157011180	197155624	/nfs/dbraw/zinc/15/56/24/197155624.db2.gz	KPHDNYOKXJXPJV-UHFFFAOYSA-N	0	0	312.694	2.056	10	5		DEBERN
COCCc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)n(C)n1	ZINC000123071004	195540106	/nfs/dbraw/zinc/54/01/06/195540106.db2.gz	HQRVIZIMUVKMJN-UHFFFAOYSA-N	0	0	318.333	2.078	10	5		DEBERN
C[C@@H](CO)N(C)Cc1ccc([N+](=O)[O-])cc1Br	ZINC000123180089	195552311	/nfs/dbraw/zinc/55/23/11/195552311.db2.gz	YOBPESNGLCKNGG-QMMMGPOBSA-N	0	0	303.156	2.170	10	5		DEBERN
CCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(C)s1	ZINC000123745207	195594755	/nfs/dbraw/zinc/59/47/55/195594755.db2.gz	HKRMRRFNLWANCS-UHFFFAOYSA-N	0	0	307.335	2.439	10	5		DEBERN
CCNC(=O)c1ccc([N+](=O)[O-])c(NCc2cncs2)c1	ZINC000128183538	195942437	/nfs/dbraw/zinc/94/24/37/195942437.db2.gz	BDQAWNKRKRZMLO-UHFFFAOYSA-N	0	0	306.347	2.413	10	5		DEBERN
COC(=O)c1cc([N+](=O)[O-])cn(C[C@@H](C)c2ccccc2)c1=O	ZINC000128068299	195932941	/nfs/dbraw/zinc/93/29/41/195932941.db2.gz	YWVQGXJEGFZSRK-LLVKDONJSA-N	0	0	316.313	2.347	10	5		DEBERN
O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@H](CO)C1CC1	ZINC000357805294	133101596	/nfs/dbraw/zinc/10/15/96/133101596.db2.gz	LUOJDSSORIQGMS-MRVPVSSYSA-N	0	0	305.256	2.439	10	5		DEBERN
C[C@H]1CC[C@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1	ZINC000360386527	133179452	/nfs/dbraw/zinc/17/94/52/133179452.db2.gz	XJOAAIXXSDIJAS-RYUDHWBXSA-N	0	0	312.391	2.450	10	5		DEBERN
O=[N+]([O-])c1ncc(I)cc1OC1CC1	ZINC000095735859	296522185	/nfs/dbraw/zinc/52/21/85/296522185.db2.gz	IJROEEZGTVWWNQ-UHFFFAOYSA-N	0	0	306.059	2.136	10	5		DEBERN
Cc1ccc(-n2cccn2)cc1NC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000191839567	145065938	/nfs/dbraw/zinc/06/59/38/145065938.db2.gz	SHQWQYXZZLZDRM-UHFFFAOYSA-N	0	0	312.289	2.064	10	5		DEBERN
O=C1[C@H](Nc2ncc([N+](=O)[O-])s2)CCCN1c1cccnc1	ZINC000192528124	145074497	/nfs/dbraw/zinc/07/44/97/145074497.db2.gz	SZZVLYLZAYJYCK-SNVBAGLBSA-N	0	0	319.346	2.054	10	5		DEBERN
CC(C)c1nc2n(n1)C[C@H](Nc1cc(N)ccc1[N+](=O)[O-])CC2	ZINC000193413834	145085742	/nfs/dbraw/zinc/08/57/42/145085742.db2.gz	WLVPWVXKXJWSFU-LLVKDONJSA-N	0	0	316.365	2.319	10	5		DEBERN
C[C@H]1C[C@H]1CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-]	ZINC000357307507	147084511	/nfs/dbraw/zinc/08/45/11/147084511.db2.gz	USMSDUKGAWNROS-JSGCOSHPSA-N	0	0	305.378	2.495	10	5		DEBERN
CCOc1ccc(C(=O)N2CC([C@@H]3CCOC3)C2)cc1[N+](=O)[O-]	ZINC000366866118	147682205	/nfs/dbraw/zinc/68/22/05/147682205.db2.gz	LRYIOZFRFUXADB-GFCCVEGCSA-N	0	0	320.345	2.102	10	5		DEBERN
O=[N+]([O-])c1cccnc1N1CC[C@H](c2nc(C3CC3)no2)C1	ZINC000375259734	148349109	/nfs/dbraw/zinc/34/91/09/148349109.db2.gz	YWXWHBLZDDHZKY-JTQLQIEISA-N	0	0	301.306	2.244	10	5		DEBERN
CO[C@H]1CN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC[C@@H]1C	ZINC000302561530	286074573	/nfs/dbraw/zinc/07/45/73/286074573.db2.gz	NBATWMPUJMVDJV-XPTSAGLGSA-N	0	0	318.333	2.105	10	5		DEBERN
Cc1sc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)cc1[N+](=O)[O-]	ZINC000026251351	401839775	/nfs/dbraw/zinc/83/97/75/401839775.db2.gz	WJCYYHLGTPCWFM-UHFFFAOYSA-N	0	0	321.240	2.354	10	5		DEBERN
Cn1cc([C@@H]2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C2)cn1	ZINC000116116773	401842438	/nfs/dbraw/zinc/84/24/38/401842438.db2.gz	IWFDHJYDFLCBNJ-SNVBAGLBSA-N	0	0	318.308	2.097	10	5		DEBERN
Cc1sc(C(=O)Nc2cn(C)c(=O)cc2C)cc1[N+](=O)[O-]	ZINC000079551112	401876551	/nfs/dbraw/zinc/87/65/51/401876551.db2.gz	REWBWRLGDJMEPS-UHFFFAOYSA-N	0	0	307.331	2.224	10	5		DEBERN
CCCN(CC(F)F)S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000133483662	401888154	/nfs/dbraw/zinc/88/81/54/401888154.db2.gz	GGFGZPUJJDMYBH-UHFFFAOYSA-N	0	0	314.335	2.322	10	5		DEBERN
CCOc1c2c(c([N+](=O)[O-])c(OCC)c1OCC)C(=O)OC2	ZINC000033986169	401892368	/nfs/dbraw/zinc/89/23/68/401892368.db2.gz	FTLVJOVZLDLKLZ-UHFFFAOYSA-N	0	0	311.290	2.461	10	5		DEBERN
O=C(Cn1cc([N+](=O)[O-])cn1)N(Cc1ccco1)C1CCCC1	ZINC000045468246	401958388	/nfs/dbraw/zinc/95/83/88/401958388.db2.gz	TYGNCNOLUOCJNF-UHFFFAOYSA-N	0	0	318.333	2.356	10	5		DEBERN
CCOC(=O)CC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000089804352	401964826	/nfs/dbraw/zinc/96/48/26/401964826.db2.gz	ILNVGSMIZKWJFS-SECBINFHSA-N	0	0	312.297	2.196	10	5		DEBERN
CCOC(=O)CC[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1C	ZINC000089802870	401964975	/nfs/dbraw/zinc/96/49/75/401964975.db2.gz	SNHXZRVSRZXJFO-NSHDSACASA-N	0	0	322.361	2.294	10	5		DEBERN
O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CCC[C@H](C(F)(F)F)C1	ZINC000044696663	401947566	/nfs/dbraw/zinc/94/75/66/401947566.db2.gz	RYEIBTRMNDWYOI-IUCAKERBSA-N	0	0	320.271	2.029	10	5		DEBERN
COC(=O)c1sccc1NC(=O)c1cc([N+](=O)[O-])cnc1C	ZINC000051527277	402034744	/nfs/dbraw/zinc/03/47/44/402034744.db2.gz	CBEKJHQFZCFAKJ-UHFFFAOYSA-N	0	0	321.314	2.399	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(O)cc1	ZINC000052962953	402049052	/nfs/dbraw/zinc/04/90/52/402049052.db2.gz	GBFSEQBPBUZXPU-UHFFFAOYSA-N	0	0	301.302	2.276	10	5		DEBERN
O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CCc2cc(Cl)ccc21	ZINC000055739777	402086032	/nfs/dbraw/zinc/08/60/32/402086032.db2.gz	SYMQTFCJJWOUIA-GFCCVEGCSA-N	0	0	320.736	2.248	10	5		DEBERN
C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@@H]1CCCO1	ZINC000123142875	402112976	/nfs/dbraw/zinc/11/29/76/402112976.db2.gz	WAJJQNPJVVTWDV-YGRLFVJLSA-N	0	0	315.329	2.440	10	5		DEBERN
CSc1ccc(CNC(=O)Cn2cc([N+](=O)[O-])nc2C)cc1	ZINC000065744297	402127005	/nfs/dbraw/zinc/12/70/05/402127005.db2.gz	KLXFKZKKUKGZLG-UHFFFAOYSA-N	0	0	320.374	2.138	10	5		DEBERN
CCOCCO[C@H](C)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C	ZINC000103375157	402185641	/nfs/dbraw/zinc/18/56/41/402185641.db2.gz	PBUKAZXUWGCMCX-NWDGAFQWSA-N	0	0	322.361	2.314	10	5		DEBERN
CCOCCO[C@H](C)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C	ZINC000103375162	402185808	/nfs/dbraw/zinc/18/58/08/402185808.db2.gz	PBUKAZXUWGCMCX-VXGBXAGGSA-N	0	0	322.361	2.314	10	5		DEBERN
COC(=O)[C@H](C)CN(C(=O)c1ccc([N+](=O)[O-])cc1C)C1CC1	ZINC000102610146	402168545	/nfs/dbraw/zinc/16/85/45/402168545.db2.gz	BENMZIDULCXMPD-LLVKDONJSA-N	0	0	320.345	2.317	10	5		DEBERN
Cc1cnc(CCN(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)s1	ZINC000125615607	402242545	/nfs/dbraw/zinc/24/25/45/402242545.db2.gz	FDCDRQFXEAZDKZ-UHFFFAOYSA-N	0	0	320.374	2.257	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC([NH+]2CCCC2)CC1	ZINC000159364482	402322384	/nfs/dbraw/zinc/32/23/84/402322384.db2.gz	UVTIKYBMMSOCME-UHFFFAOYSA-N	0	0	319.361	2.001	10	5		DEBERN
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1noc(C)n1	ZINC000184792880	402300459	/nfs/dbraw/zinc/30/04/59/402300459.db2.gz	CRGKUENLBINVNU-GFCCVEGCSA-N	0	0	318.333	2.171	10	5		DEBERN
CC[C@H]1CCCC[C@H]1N(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000160905085	402364713	/nfs/dbraw/zinc/36/47/13/402364713.db2.gz	KHNBYYSBMHHKSU-GXTWGEPZSA-N	0	0	321.377	2.184	10	5		DEBERN
O=[N+]([O-])c1cc(Cl)ccc1CN1CCO[C@@]2(CCOC2)C1	ZINC000185182025	402331798	/nfs/dbraw/zinc/33/17/98/402331798.db2.gz	QRTBRTCDOXNBPI-AWEZNQCLSA-N	0	0	312.753	2.240	10	5		DEBERN
O=C(N[C@H]1Cc2ccccc2[C@@H]1O)c1csc([N+](=O)[O-])c1	ZINC000178320390	402484485	/nfs/dbraw/zinc/48/44/85/402484485.db2.gz	IHWPLRFTKMGXBN-AAEUAGOBSA-N	0	0	304.327	2.044	10	5		DEBERN
O=C(CNc1ccccc1[N+](=O)[O-])NCCCc1ccccn1	ZINC000178570620	402513384	/nfs/dbraw/zinc/51/33/84/402513384.db2.gz	CTBMGRDLOPJFBZ-UHFFFAOYSA-N	0	0	314.345	2.151	10	5		DEBERN
CC1(C)CC[C@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])O1	ZINC000187326987	402493986	/nfs/dbraw/zinc/49/39/86/402493986.db2.gz	JHFHOWNKXQVVFP-LLVKDONJSA-N	0	0	307.350	2.081	10	5		DEBERN
CN(CC(=O)NC[C@H]1CCC(C)(C)O1)c1ccccc1[N+](=O)[O-]	ZINC000187394795	402498196	/nfs/dbraw/zinc/49/81/96/402498196.db2.gz	RFBVTVZIMLMDEC-GFCCVEGCSA-N	0	0	321.377	2.105	10	5		DEBERN
O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](n2cncn2)C1	ZINC000170897562	402539119	/nfs/dbraw/zinc/53/91/19/402539119.db2.gz	XUPJOSDMKSRVTJ-CYBMUJFWSA-N	0	0	316.321	2.055	10	5		DEBERN
Cc1nn(Cc2ccn(-c3ccc(F)cc3)n2)cc1[N+](=O)[O-]	ZINC000181832278	402658156	/nfs/dbraw/zinc/65/81/56/402658156.db2.gz	KRYZWMJCRNEGEP-UHFFFAOYSA-N	0	0	301.281	2.473	10	5		DEBERN
C[C@H]1CO[C@H](c2ccccc2)CN1CCn1cc([N+](=O)[O-])cn1	ZINC000174843526	402759480	/nfs/dbraw/zinc/75/94/80/402759480.db2.gz	PDPGLKVBGAIFIX-BBRMVZONSA-N	0	0	316.361	2.253	10	5		DEBERN
Cn1cc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)CCCCC3)n1	ZINC000271417738	402869143	/nfs/dbraw/zinc/86/91/43/402869143.db2.gz	PLWNMMHOUHGMPM-UHFFFAOYSA-N	0	0	321.362	2.306	10	5		DEBERN
COc1cc(N2CCN3CCCC[C@H]3C2)c(F)cc1[N+](=O)[O-]	ZINC000270603130	403204670	/nfs/dbraw/zinc/20/46/70/403204670.db2.gz	YKJVRXHYUIHOEG-NSHDSACASA-N	0	0	309.341	2.417	10	5		DEBERN
C[C@]12CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@H]1C2(F)F	ZINC000293767288	403559431	/nfs/dbraw/zinc/55/94/31/403559431.db2.gz	XYZZSYDHDXFTPJ-MFKMUULPSA-N	0	0	311.288	2.294	10	5		DEBERN
Nc1nc(NCC2(c3ccccc3F)CC2)ncc1[N+](=O)[O-]	ZINC000301289959	403611504	/nfs/dbraw/zinc/61/15/04/403611504.db2.gz	SYLQEOBZVHLFQU-UHFFFAOYSA-N	0	0	303.297	2.250	10	5		DEBERN
CC(=O)c1cc(N2CCc3cc[nH]c(=O)c3C2)ccc1[N+](=O)[O-]	ZINC000287812185	403671374	/nfs/dbraw/zinc/67/13/74/403671374.db2.gz	PWNRYGGEPNGNPT-UHFFFAOYSA-N	0	0	313.313	2.461	10	5		DEBERN
COc1cc(F)c([N+](=O)[O-])c(NCC2(OC)CCOCC2)c1	ZINC000301793890	403680988	/nfs/dbraw/zinc/68/09/88/403680988.db2.gz	SHEIMAJDOKCVOR-UHFFFAOYSA-N	0	0	314.313	2.350	10	5		DEBERN
O=[N+]([O-])c1ccc(CO)cc1N1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000302025145	403706540	/nfs/dbraw/zinc/70/65/40/403706540.db2.gz	HLGJQAYOVXSTDO-BBRMVZONSA-N	0	0	306.362	2.219	10	5		DEBERN
Cc1cc(N[C@@H]2CCc3ncnn3C2)c2cccc([N+](=O)[O-])c2n1	ZINC000302035715	403706623	/nfs/dbraw/zinc/70/66/23/403706623.db2.gz	UMTMEOKCZWVBQA-LLVKDONJSA-N	0	0	324.344	2.470	10	5		DEBERN
O=[N+]([O-])c1cnc(NC[C@H](CO)Cc2ccccn2)c(Cl)c1	ZINC000301579827	403650464	/nfs/dbraw/zinc/65/04/64/403650464.db2.gz	UJAAFMDNKPTBIP-SNVBAGLBSA-N	0	0	322.752	2.301	10	5		DEBERN
Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CCS(=O)(=O)C1	ZINC000302812821	403729632	/nfs/dbraw/zinc/72/96/32/403729632.db2.gz	HOATZIMPTIAILT-QMMMGPOBSA-N	0	0	304.755	2.156	10	5		DEBERN
CC(C)(C)[C@H](O)CNC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000305053549	403812962	/nfs/dbraw/zinc/81/29/62/403812962.db2.gz	FQOREEQEAUBCJZ-LLVKDONJSA-N	0	0	300.742	2.385	10	5		DEBERN
CCOC(=O)C(C)(Cc1ccccc1[N+](=O)[O-])C(=O)OCC	ZINC000317376381	404035450	/nfs/dbraw/zinc/03/54/50/404035450.db2.gz	JFAXSQXWYCPXHQ-UHFFFAOYSA-N	0	0	309.318	2.270	10	5		DEBERN
C[C@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC[S@@]1=O	ZINC000291779153	404515952	/nfs/dbraw/zinc/51/59/52/404515952.db2.gz	CJMVANGAHWNMEV-SAHAZLINSA-N	0	0	319.386	2.490	10	5		DEBERN
Cc1cc([C@@H]2CCCN2c2ccc3ncc([N+](=O)[O-])n3n2)no1	ZINC000367221271	404971607	/nfs/dbraw/zinc/97/16/07/404971607.db2.gz	HBJYOBGDIVEMEU-NSHDSACASA-N	0	0	314.305	2.275	10	5		DEBERN
C[C@@H]1CCOCCN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1	ZINC000368065868	405225457	/nfs/dbraw/zinc/22/54/57/405225457.db2.gz	XAZYTIYZIVMVSH-SNVBAGLBSA-N	0	0	314.288	2.324	10	5		DEBERN
CCOc1ccc(C(=O)N2CC[C@@H](OC)[C@H](C)C2)cc1[N+](=O)[O-]	ZINC000456133272	405510445	/nfs/dbraw/zinc/51/04/45/405510445.db2.gz	FOVSWJJQJINYNW-BXUZGUMPSA-N	0	0	322.361	2.491	10	5		DEBERN
COC(=O)Cc1ccc(N[C@@H]2CC[C@H](OC)C2)c([N+](=O)[O-])c1	ZINC000450474183	405916969	/nfs/dbraw/zinc/91/69/69/405916969.db2.gz	JOKUEOTXFZFPQN-NEPJUHHUSA-N	0	0	308.334	2.290	10	5		DEBERN
O=[N+]([O-])c1cnc2ccc(N3CCC[C@@H]3c3ccccn3)nn21	ZINC000535046748	406207935	/nfs/dbraw/zinc/20/79/35/406207935.db2.gz	MVKMXBFYPYEDPO-GFCCVEGCSA-N	0	0	310.317	2.374	10	5		DEBERN
CCOC(=O)Cc1cc([N+](=O)[O-])c(OC)cc1Br	ZINC000575700485	406820577	/nfs/dbraw/zinc/82/05/77/406820577.db2.gz	VCMYUXFZEUNPDE-UHFFFAOYSA-N	0	0	318.123	2.472	10	5		DEBERN
COc1c(I)c(C=O)ccc1[N+](=O)[O-]	ZINC000575728549	406825885	/nfs/dbraw/zinc/82/58/85/406825885.db2.gz	UKQCVRIXWRYVOD-UHFFFAOYSA-N	0	0	307.043	2.021	10	5		DEBERN
COc1c(I)ccc(C=O)c1[N+](=O)[O-]	ZINC000575728382	406826076	/nfs/dbraw/zinc/82/60/76/406826076.db2.gz	RSKYVWHHDBLOGK-UHFFFAOYSA-N	0	0	307.043	2.021	10	5		DEBERN
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)C1	ZINC000129850939	196081105	/nfs/dbraw/zinc/08/11/05/196081105.db2.gz	VPQVKNXHOWDADO-NXEZZACHSA-N	0	0	316.354	2.401	10	5		DEBERN
CC1(C)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131220623	196150988	/nfs/dbraw/zinc/15/09/88/196150988.db2.gz	YAJMFTAWSMZZTH-UHFFFAOYSA-N	0	0	302.327	2.297	10	5		DEBERN
CCCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(NCCC)c1	ZINC000131561659	196180069	/nfs/dbraw/zinc/18/00/69/196180069.db2.gz	FLLWCKZWHUXUBM-UHFFFAOYSA-N	0	0	315.395	2.495	10	5		DEBERN
C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1	ZINC000131676053	196190011	/nfs/dbraw/zinc/19/00/11/196190011.db2.gz	GIXMAXOWAOVLPY-NXEZZACHSA-N	0	0	313.379	2.129	10	5		DEBERN
CCNc1cc(S(=O)(=O)N[C@@H](C)CC)ccc1[N+](=O)[O-]	ZINC000131722336	196193335	/nfs/dbraw/zinc/19/33/35/196193335.db2.gz	CFKSDTAHGRFSOG-VIFPVBQESA-N	0	0	301.368	2.103	10	5		DEBERN
C[C@H](CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[S@](C)=O	ZINC000132930605	196296811	/nfs/dbraw/zinc/29/68/11/196296811.db2.gz	SLDNHZCDKSYZPO-ZPWHCFADSA-N	0	0	318.782	2.135	10	5		DEBERN
COC(=O)[C@@H]1CCCCN1c1c(F)c(F)ccc1[N+](=O)[O-]	ZINC000133899900	196344912	/nfs/dbraw/zinc/34/49/12/196344912.db2.gz	OSDVKCIXKULYKW-JTQLQIEISA-N	0	0	300.261	2.405	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(F)cc2)n1	ZINC000191463087	225110874	/nfs/dbraw/zinc/11/08/74/225110874.db2.gz	IQODLESWVABQON-UHFFFAOYSA-N	0	0	306.297	2.223	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccccc2OC)n1	ZINC000191461361	225111173	/nfs/dbraw/zinc/11/11/73/225111173.db2.gz	TTWILQMETUJRBB-UHFFFAOYSA-N	0	0	318.333	2.092	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(C)cc2)n1	ZINC000191461931	225111635	/nfs/dbraw/zinc/11/16/35/225111635.db2.gz	UGKUBYPFZLVFIG-UHFFFAOYSA-N	0	0	302.334	2.392	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NC2(C)Cc3ccccc3C2)n1	ZINC000191696369	225116327	/nfs/dbraw/zinc/11/63/27/225116327.db2.gz	CJPWOPKBYAGKDN-UHFFFAOYSA-N	0	0	314.345	2.099	10	5		DEBERN
CC(C)O[C@H]1C[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C1(C)C	ZINC000361621707	424845919	/nfs/dbraw/zinc/84/59/19/424845919.db2.gz	NFUZXHSMMWTNMX-MNOVXSKESA-N	0	0	319.365	2.642	10	5		DEBERN
O=C(Nc1ccc2c(c1)OCC(=O)N2)c1ccc([N+](=O)[O-])s1	ZINC000193440758	424869742	/nfs/dbraw/zinc/86/97/42/424869742.db2.gz	QTBIFUYXEHNJMC-UHFFFAOYSA-N	0	0	319.298	2.240	10	5		DEBERN
CC(C)[C@](C)(CO)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000398563031	269109136	/nfs/dbraw/zinc/10/91/36/269109136.db2.gz	MKEUHTGOHYNCQB-ZDUSSCGKSA-N	0	0	300.742	2.385	10	5		DEBERN
CCOc1ccc(C(=O)N2[C@@H](C)CN(C)C[C@@H]2C)cc1[N+](=O)[O-]	ZINC000155509022	276494773	/nfs/dbraw/zinc/49/47/73/276494773.db2.gz	YLJBNUOYLHDKQV-RYUDHWBXSA-N	0	0	321.377	2.158	10	5		DEBERN
Cc1cc(C(=O)N2CCCC[C@H]2c2nc[nH]n2)ccc1[N+](=O)[O-]	ZINC000179350380	280324972	/nfs/dbraw/zinc/32/49/72/280324972.db2.gz	PLPVNPBNEVVDHZ-ZDUSSCGKSA-N	0	0	315.333	2.389	10	5		DEBERN
COCc1cccc(CNC(=O)c2cc([N+](=O)[O-])cnc2C)c1	ZINC000047026306	281452747	/nfs/dbraw/zinc/45/27/47/281452747.db2.gz	GFUBSBHAVHEYBY-UHFFFAOYSA-N	0	0	315.329	2.375	10	5		DEBERN
Cc1cnn(C[C@@H]2CN(c3cccc(F)c3[N+](=O)[O-])CCO2)c1	ZINC000108949961	293003698	/nfs/dbraw/zinc/00/36/98/293003698.db2.gz	OGYHTLXKUQZYST-LBPRGKRZSA-N	0	0	320.324	2.144	10	5		DEBERN
Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1c1cn[nH]c1	ZINC000184406613	295356880	/nfs/dbraw/zinc/35/68/80/295356880.db2.gz	WIQBJNWLPAMXNM-CQSZACIVSA-N	0	0	315.333	2.268	10	5		DEBERN
Cc1cnc(N2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)c([N+](=O)[O-])c1	ZINC000284447114	302349992	/nfs/dbraw/zinc/34/99/92/302349992.db2.gz	AYOZRDDWNBFJIW-WOSRLPQWSA-N	0	0	321.377	2.055	10	5		DEBERN
CC(C)(C)OC(=O)N1CCN(c2ccc(N)c([N+](=O)[O-])c2)CC1	ZINC000584620654	337371727	/nfs/dbraw/zinc/37/17/27/337371727.db2.gz	QGJAEVBIIDNGKJ-UHFFFAOYSA-N	0	0	322.365	2.234	10	5		DEBERN
Cc1ccc(S(=O)(=O)Oc2ccc(C=O)c([N+](=O)[O-])c2)cc1	ZINC000584652038	337381021	/nfs/dbraw/zinc/38/10/21/337381021.db2.gz	YBPLESPHFZUOCG-UHFFFAOYSA-N	0	0	321.310	2.483	10	5		DEBERN
CC1(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)COC1	ZINC000152309642	520709011	/nfs/dbraw/zinc/70/90/11/520709011.db2.gz	UWODAGHXDWJGCG-UHFFFAOYSA-N	0	0	319.361	2.305	10	5		DEBERN
C[C@@H]1CCOCCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000367630628	524533049	/nfs/dbraw/zinc/53/30/49/524533049.db2.gz	FQQXFDSNVKXJQO-LLVKDONJSA-N	0	0	317.345	2.256	10	5		DEBERN
CC(C)Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)nn1	ZINC000191304269	528198016	/nfs/dbraw/zinc/19/80/16/528198016.db2.gz	PSNBCSDAQOTTKM-UHFFFAOYSA-N	0	0	302.290	2.424	10	5		DEBERN
CCOc1cccc(NC(=O)c2nn(CC)cc2[N+](=O)[O-])c1	ZINC000191557345	528673087	/nfs/dbraw/zinc/67/30/87/528673087.db2.gz	NSDDCTYSTXNNMP-UHFFFAOYSA-N	0	0	304.306	2.462	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)N(C)CC3)n1	ZINC000191700435	529154541	/nfs/dbraw/zinc/15/45/41/529154541.db2.gz	YDZYXYIRYVMKMO-UHFFFAOYSA-N	0	0	315.333	2.056	10	5		DEBERN
CCc1n[nH]c(C(=O)NCCc2cc(F)ccc2F)c1[N+](=O)[O-]	ZINC000177425820	536003470	/nfs/dbraw/zinc/00/34/70/536003470.db2.gz	HSRDSKCVPMDMNJ-UHFFFAOYSA-N	0	0	324.287	2.131	10	5		DEBERN
COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@@H](C)[C@H](C)OC	ZINC000450476651	537014560	/nfs/dbraw/zinc/01/45/60/537014560.db2.gz	QNAGRTNGVGMPHG-UWVGGRQHSA-N	0	0	305.334	2.409	10	5		DEBERN
Cc1cc(F)cc(C(=O)NC[C@H]2CCCC[C@H]2O)c1[N+](=O)[O-]	ZINC000176244981	624709385	/nfs/dbraw/zinc/70/93/85/624709385.db2.gz	QOZHRWZBTCUKDW-ZWNOBZJWSA-N	0	0	310.325	2.323	10	5		DEBERN
Nc1c(Cl)cc(C(=O)N2CCCSCC2)cc1[N+](=O)[O-]	ZINC000050710804	625099550	/nfs/dbraw/zinc/09/95/50/625099550.db2.gz	ZQTLDEZGKYSOJS-UHFFFAOYSA-N	0	0	315.782	2.410	10	5		DEBERN
COc1cc(NCC[C@H](C)[S@@](C)=O)c([N+](=O)[O-])cc1OC	ZINC000167390781	625886740	/nfs/dbraw/zinc/88/67/40/625886740.db2.gz	XQYTUFPQTUAQBO-FPVGNUTFSA-N	0	0	316.379	2.181	10	5		DEBERN
CCCCc1ccc(N(C)C(=O)Cn2cnc([N+](=O)[O-])n2)cc1	ZINC000752372224	639176537	/nfs/dbraw/zinc/17/65/37/639176537.db2.gz	FUXQCLYKHBIHNZ-UHFFFAOYSA-N	0	0	317.349	2.192	10	5		DEBERN
C/C(=C/C(=O)NCCSCCCO)c1ccc([N+](=O)[O-])cc1	ZINC000752558520	639197603	/nfs/dbraw/zinc/19/76/03/639197603.db2.gz	COWSVPWRFSMUPA-QXMHVHEDSA-N	0	0	324.402	2.230	10	5		DEBERN
C/C(=C/C(=O)N1CCC[C@](C)(O)C1)c1ccc([N+](=O)[O-])cc1	ZINC000752718124	639210497	/nfs/dbraw/zinc/21/04/97/639210497.db2.gz	AKZVFJIEBZBLND-DMIOIOJGSA-N	0	0	304.346	2.372	10	5		DEBERN
C/C(=C/C(=O)NCC1=CCCOC1)c1ccc([N+](=O)[O-])cc1	ZINC000805290825	640680869	/nfs/dbraw/zinc/68/08/69/640680869.db2.gz	PQTFPBIBNQRQSJ-XFXZXTDPSA-N	0	0	302.330	2.461	10	5		DEBERN
O=[N+]([O-])c1ccnn1CN1CCO[C@H](c2ccc(Cl)cc2)C1	ZINC000054568765	641334127	/nfs/dbraw/zinc/33/41/27/641334127.db2.gz	ZIAMZJMVXRUPGQ-ZDUSSCGKSA-N	0	0	322.752	2.476	10	5		DEBERN
CCO[C@@H]1C[C@@H](N(C)Cn2cc([N+](=O)[O-])cn2)C12CCCC2	ZINC000156505309	646430056	/nfs/dbraw/zinc/43/00/56/646430056.db2.gz	LXEQGOQBZOPRBF-ZIAGYGMSSA-N	0	0	308.382	2.418	10	5		DEBERN
CC[C@H](CCO)Nc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-]	ZINC000156804527	646468157	/nfs/dbraw/zinc/46/81/57/646468157.db2.gz	FJZSLNWYCDQIFE-HOSRBBHYSA-N	0	0	308.334	2.354	10	5		DEBERN
Cc1nnc(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)n1C	ZINC000078400221	646520885	/nfs/dbraw/zinc/52/08/85/646520885.db2.gz	PRYQSXNWPGCOJI-UHFFFAOYSA-N	0	0	309.757	2.317	10	5		DEBERN
CCO[C@@H]1C[C@H](OC(=O)CCn2cc([N+](=O)[O-])cn2)C12CCC2	ZINC000130579863	647475387	/nfs/dbraw/zinc/47/53/87/647475387.db2.gz	BYGBSZZQRCEOQL-OLZOCXBDSA-N	0	0	323.349	2.072	10	5		DEBERN
CCOCCOCC(=O)Oc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000105764471	651206268	/nfs/dbraw/zinc/20/62/68/651206268.db2.gz	INAHJYMSTKFGLL-UHFFFAOYSA-N	0	0	303.698	2.207	10	5		DEBERN
Cc1nn(CN2C[C@@H](C)O[C@H](C)C2)c2cc([N+](=O)[O-])ccc12	ZINC000121051163	684104774	/nfs/dbraw/zinc/10/47/74/684104774.db2.gz	WVIZBCBQROBRPP-GHMZBOCLSA-N	0	0	304.350	2.320	10	5		DEBERN
CN(C)c1ncc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cn1	ZINC000122038186	684111751	/nfs/dbraw/zinc/11/17/51/684111751.db2.gz	PRMMOBMYALAUPH-UHFFFAOYSA-N	0	0	321.724	2.357	10	5		DEBERN
CC(=O)CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1	ZINC000135587048	684236670	/nfs/dbraw/zinc/23/66/70/684236670.db2.gz	LENOFAUQZQCWAQ-UHFFFAOYSA-N	0	0	319.361	2.246	10	5		DEBERN
COC(=O)[C@@H]1C[C@@H]1C(=O)O[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1	ZINC000247063039	685142175	/nfs/dbraw/zinc/14/21/75/685142175.db2.gz	WDXHNVPAJRJWPX-WCQGTBRESA-N	0	0	307.302	2.317	10	5		DEBERN
CCCCN(CC(N)=O)C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1	ZINC000588436809	777182903	/nfs/dbraw/zinc/18/29/03/777182903.db2.gz	NGKZHSAAYWGUDB-BENRWUELSA-N	0	0	319.361	2.112	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccn(C)c1=O	ZINC000588439421	777195105	/nfs/dbraw/zinc/19/51/05/777195105.db2.gz	MRRNWHOIJJBENN-KHPPLWFESA-N	0	0	313.313	2.336	10	5		DEBERN
CS(=O)(=O)[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000714247832	792304476	/nfs/dbraw/zinc/30/44/76/792304476.db2.gz	QCBMHQVRYWCQKH-XWEPSHTISA-N	0	0	304.755	2.236	10	5		DEBERN
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H](C)F	ZINC000702638959	1086449213	/nfs/dbraw/zinc/44/92/13/1086449213.db2.gz	IIHRTXREBIXZST-QMMMGPOBSA-N	0	0	308.306	2.069	10	5		DEBERN
Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@@H]([C@]1(C)CO1)O3	ZINC000095630291	185383030	/nfs/dbraw/zinc/38/30/30/185383030.db2.gz	YXQGLAPCZDYVLL-KXBFYZLASA-N	0	0	323.348	2.490	10	5	endogenous,in-man	DEBERN
O=[N+]([O-])c1ccc(Br)cc1N1CCC[C@@H]1CO	ZINC000087835064	185232709	/nfs/dbraw/zinc/23/27/09/185232709.db2.gz	KBJOSFSSRWFLRO-SECBINFHSA-N	0	0	301.140	2.318	10	5		DEBERN
CCc1ccc(CNC(=O)c2nn(CC)cc2[N+](=O)[O-])s1	ZINC000191535991	529650950	/nfs/dbraw/zinc/65/09/50/529650950.db2.gz	MSDXBKLYBSBJJB-UHFFFAOYSA-N	0	0	308.363	2.365	10	5		DEBERN
COC[C@H](NC(=O)c1ccnc(Cl)c1[N+](=O)[O-])C(C)C	ZINC000088806506	185266212	/nfs/dbraw/zinc/26/62/12/185266212.db2.gz	YOVXLPUMKCVDQD-VIFPVBQESA-N	0	0	301.730	2.044	10	5		DEBERN
COC(=O)C[C@H](C)Sc1c([N+](=O)[O-])c(C(C)C)nn1C	ZINC000090100313	185281938	/nfs/dbraw/zinc/28/19/38/185281938.db2.gz	YYOXUDQAUNRAFB-QMMMGPOBSA-N	0	0	301.368	2.495	10	5		DEBERN
COC(=O)C[C@@H](C)[S@@](=O)Cc1ccc([N+](=O)[O-])cc1Cl	ZINC000090101498	185281957	/nfs/dbraw/zinc/28/19/57/185281957.db2.gz	HFEGOFJCDOCWFM-ZPWHCFADSA-N	0	0	319.766	2.449	10	5		DEBERN
COC(=O)[C@H](C)C[S@](=O)Cc1ccc([N+](=O)[O-])cc1Cl	ZINC000090105163	185282558	/nfs/dbraw/zinc/28/25/58/185282558.db2.gz	CFNDQJAJMXUMDS-ZPWHCFADSA-N	0	0	319.766	2.306	10	5		DEBERN
COC(=O)c1cncc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])c1	ZINC000179289116	282223369	/nfs/dbraw/zinc/22/33/69/282223369.db2.gz	NVKDMGDOFDGILK-UHFFFAOYSA-N	0	0	319.248	2.168	10	5		DEBERN
CCc1nc(CNC(=O)c2cccc([N+](=O)[O-])c2N)cs1	ZINC000178195845	529739709	/nfs/dbraw/zinc/73/97/09/529739709.db2.gz	KBBAWWYYRXAGDG-UHFFFAOYSA-N	0	0	306.347	2.126	10	5		DEBERN
CN(CC(C)(C)C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000443776264	529844271	/nfs/dbraw/zinc/84/42/71/529844271.db2.gz	DAUJDNLHQACABH-UHFFFAOYSA-N	0	0	300.380	2.403	10	5		DEBERN
O=C(CC1=CSC2=NCCN12)Nc1ccc([N+](=O)[O-])cc1	ZINC000170557778	197779555	/nfs/dbraw/zinc/77/95/55/197779555.db2.gz	JFQNRNSLPGFUHO-UHFFFAOYSA-N	0	0	304.331	2.183	10	5		DEBERN
CNc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](C)C1	ZINC000050638541	190679950	/nfs/dbraw/zinc/67/99/50/190679950.db2.gz	KPFRDNMEJVHVBH-SNVBAGLBSA-N	0	0	313.379	2.057	10	5		DEBERN
CSC[C@@H](C)CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	ZINC000083408834	192370068	/nfs/dbraw/zinc/37/00/68/192370068.db2.gz	BVOYVCMWFRYATE-QMMMGPOBSA-N	0	0	311.363	2.337	10	5		DEBERN
Nc1cccc(S(=O)(=O)N2CCCCCCC2)c1[N+](=O)[O-]	ZINC000126868151	185899453	/nfs/dbraw/zinc/89/94/53/185899453.db2.gz	GXKIMNBQKIFYBB-UHFFFAOYSA-N	0	0	313.379	2.132	10	5		DEBERN
CCCCCCNS(=O)(=O)c1cccc(N)c1[N+](=O)[O-]	ZINC000127017419	185913110	/nfs/dbraw/zinc/91/31/10/185913110.db2.gz	XXQOSXSYDUHNDO-UHFFFAOYSA-N	0	0	301.368	2.036	10	5		DEBERN
Nc1ncnc(Oc2cc(Cl)ccc2[N+](=O)[O-])c1[N+](=O)[O-]	ZINC000148285766	186043952	/nfs/dbraw/zinc/04/39/52/186043952.db2.gz	DTYGNSRUWWSNDZ-UHFFFAOYSA-N	0	0	311.641	2.321	10	5		DEBERN
Cc1cc([N+](=O)[O-])c(S(=O)(=O)NOC(C)(C)C)cc1C	ZINC000148834020	186046426	/nfs/dbraw/zinc/04/64/26/186046426.db2.gz	GAYPTTPPQKVTMH-UHFFFAOYSA-N	0	0	302.352	2.220	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(CC(=O)N(C)[C@@H]2CCCC[C@H]2C)c1=O	ZINC000155815281	186115172	/nfs/dbraw/zinc/11/51/72/186115172.db2.gz	LWPOPUCTFKVULJ-BXUZGUMPSA-N	0	0	321.377	2.102	10	5		DEBERN
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1cnc2ccccn12	ZINC000155870472	186119708	/nfs/dbraw/zinc/11/97/08/186119708.db2.gz	UWVYLMLOEHAILT-UHFFFAOYSA-N	0	0	322.280	2.039	10	5		DEBERN
CCS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Br	ZINC000159529845	186125416	/nfs/dbraw/zinc/12/54/16/186125416.db2.gz	QPALBQDABPXLDF-UHFFFAOYSA-N	0	0	309.141	2.119	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](CCC(N)=O)C1	ZINC000171438785	186160091	/nfs/dbraw/zinc/16/00/91/186160091.db2.gz	NYSUEMKSEVRUSK-LBPRGKRZSA-N	0	0	319.361	2.021	10	5		DEBERN
Cc1nn(CCC(=O)N[C@@H](C)C2CCCC2)c(C)c1[N+](=O)[O-]	ZINC000172104060	198040390	/nfs/dbraw/zinc/04/03/90/198040390.db2.gz	ZXHXPHOIWZEWFC-JTQLQIEISA-N	0	0	308.382	2.493	10	5		DEBERN
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCCC[C@@H]1c1nccs1	ZINC000172215183	198059384	/nfs/dbraw/zinc/05/93/84/198059384.db2.gz	CYLDLADSCJHWML-LLVKDONJSA-N	0	0	321.362	2.002	10	5		DEBERN
CSCCCCCCNc1ncc([N+](=O)[O-])cc1C(N)=O	ZINC000182095827	199386224	/nfs/dbraw/zinc/38/62/24/199386224.db2.gz	DMCPDAQHZLRBJD-UHFFFAOYSA-N	0	0	312.395	2.424	10	5		DEBERN
CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CSC(=O)N1	ZINC000073046332	191273479	/nfs/dbraw/zinc/27/34/79/191273479.db2.gz	ZKSNINYJYXOVSO-LBPRGKRZSA-N	0	0	323.374	2.157	10	5		DEBERN
O=[N+]([O-])c1cnn(CCN2CCc3[nH]c4ccccc4c3C2)c1	ZINC000174847895	198393616	/nfs/dbraw/zinc/39/36/16/198393616.db2.gz	PXOOVPXKZXMJFG-UHFFFAOYSA-N	0	0	311.345	2.331	10	5		DEBERN
CC(C)(C)C(=O)O[C@@H](COC(=O)c1ccccc1)C[N+](=O)[O-]	ZINC000034644985	354161888	/nfs/dbraw/zinc/16/18/88/354161888.db2.gz	PTFOVGOQTRCHJP-GFCCVEGCSA-N	0	0	309.318	2.078	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1C	ZINC000045521160	354257323	/nfs/dbraw/zinc/25/73/23/354257323.db2.gz	AHPWDLXKKDBNHY-SNVBAGLBSA-N	0	0	314.363	2.167	10	5		DEBERN
COc1cccc(OCC(=O)Nc2ncc([N+](=O)[O-])cc2C)c1	ZINC000075302780	191459836	/nfs/dbraw/zinc/45/98/36/191459836.db2.gz	CYOKWWHWKRVYNF-UHFFFAOYSA-N	0	0	317.301	2.324	10	5		DEBERN
CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000319232409	356439561	/nfs/dbraw/zinc/43/95/61/356439561.db2.gz	VMGMJZHCENSILQ-DOMZBBRYSA-N	0	0	308.382	2.251	10	5		DEBERN
O=C(NCCc1cccnc1)c1ccnc(Cl)c1[N+](=O)[O-]	ZINC000085684684	192520041	/nfs/dbraw/zinc/52/00/41/192520041.db2.gz	DTQULHLTLCCGQO-UHFFFAOYSA-N	0	0	306.709	2.011	10	5		DEBERN
C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])C1(S(C)(=O)=O)CC1	ZINC000588072547	357392260	/nfs/dbraw/zinc/39/22/60/357392260.db2.gz	HONGTDIGDVNZMY-SSDOTTSWSA-N	0	0	319.770	2.021	10	5		DEBERN
CCc1nn(C)c(N2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1[N+](=O)[O-]	ZINC000589868351	357502041	/nfs/dbraw/zinc/50/20/41/357502041.db2.gz	XKNLQAIZAIPXGX-SKDRFNHKSA-N	0	0	300.309	2.372	10	5		DEBERN
CCN(c1ncc([N+](=O)[O-])cc1Br)[C@@H]1CCOC1	ZINC000589696066	357491401	/nfs/dbraw/zinc/49/14/01/357491401.db2.gz	ANOQIUJHTSYYLT-MRVPVSSYSA-N	0	0	316.155	2.368	10	5		DEBERN
CC(=O)N1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)[C@H](C)C1	ZINC000593463970	358084597	/nfs/dbraw/zinc/08/45/97/358084597.db2.gz	GVNLHRJMROQCDL-LLVKDONJSA-N	0	0	314.345	2.200	10	5		DEBERN
COC1(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCC1	ZINC000180635219	199188757	/nfs/dbraw/zinc/18/87/57/199188757.db2.gz	DLAMYGORZJKJOH-UHFFFAOYSA-N	0	0	303.318	2.375	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]1c1nc[nH]n1	ZINC000181196165	199263528	/nfs/dbraw/zinc/26/35/28/199263528.db2.gz	SNFSPCKPCJJIGL-CYBMUJFWSA-N	0	0	315.333	2.389	10	5		DEBERN
O=[N+]([O-])c1c(NCCO[C@H]2CC2(F)F)nc2sccn21	ZINC000596448246	358688947	/nfs/dbraw/zinc/68/89/47/358688947.db2.gz	PSNQRAQGNFZPHS-LURJTMIESA-N	0	0	304.278	2.140	10	5		DEBERN
Cc1c(F)cc(S(=O)(=O)N(C)CCC2CC2)cc1[N+](=O)[O-]	ZINC000185323990	199838107	/nfs/dbraw/zinc/83/81/07/199838107.db2.gz	BRVSONFNOHIPQP-UHFFFAOYSA-N	0	0	316.354	2.463	10	5		DEBERN
CO[C@@H]1CN(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C	ZINC000187363411	200101714	/nfs/dbraw/zinc/10/17/14/200101714.db2.gz	FDSPSDLRRVVUHQ-SMDDNHRTSA-N	0	0	307.350	2.161	10	5		DEBERN
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2nccn2c1	ZINC000609618967	361328716	/nfs/dbraw/zinc/32/87/16/361328716.db2.gz	QYRBRNRPWAARNU-UHFFFAOYSA-N	0	0	312.285	2.260	10	5		DEBERN
C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccncc1	ZINC000610518364	361414803	/nfs/dbraw/zinc/41/48/03/361414803.db2.gz	FIPFJBHEFDZKNU-LLVKDONJSA-N	0	0	321.358	2.072	10	5		DEBERN
C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccncc1	ZINC000610518365	361415141	/nfs/dbraw/zinc/41/51/41/361415141.db2.gz	FIPFJBHEFDZKNU-NSHDSACASA-N	0	0	321.358	2.072	10	5		DEBERN
CC[C@@H](NS(=O)(=O)C[C@H](C)OC)c1cccc([N+](=O)[O-])c1	ZINC000195337786	201381237	/nfs/dbraw/zinc/38/12/37/201381237.db2.gz	LMAKGCAGZGOFCL-GXFFZTMASA-N	0	0	316.379	2.000	10	5		DEBERN
CCn1nc(C)c([N+](=O)[O-])c1-n1cc(Br)cn1	ZINC000091558655	193073528	/nfs/dbraw/zinc/07/35/28/193073528.db2.gz	USJWYVPGCSXZBS-UHFFFAOYSA-N	0	0	300.116	2.068	10	5		DEBERN
Cc1nn(C)cc1CC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1	ZINC000450055642	241396114	/nfs/dbraw/zinc/39/61/14/241396114.db2.gz	FWJLZIROAKERIJ-LLVKDONJSA-N	0	0	316.361	2.365	10	5		DEBERN
Cc1cc(C(=O)Nc2nc3cc([N+](=O)[O-])ccc3s2)n(C)n1	ZINC000012287700	181746233	/nfs/dbraw/zinc/74/62/33/181746233.db2.gz	LEJXGBKZQAHFQJ-UHFFFAOYSA-N	0	0	317.330	2.499	10	5		DEBERN
O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(O)c2)ccc1F	ZINC000021500736	182274664	/nfs/dbraw/zinc/27/46/64/182274664.db2.gz	ZQBDYICEGNVUKO-UHFFFAOYSA-N	0	0	312.278	2.240	10	5		DEBERN
COCCNc1ncnc(Oc2ccc(OC)cc2)c1[N+](=O)[O-]	ZINC000040657028	183114795	/nfs/dbraw/zinc/11/47/95/183114795.db2.gz	RITSOAUHJQTWHZ-UHFFFAOYSA-N	0	0	320.305	2.244	10	5		DEBERN
Cc1cc(C)n(-c2ncnc(Nc3cccnc3)c2[N+](=O)[O-])n1	ZINC000040628638	183110469	/nfs/dbraw/zinc/11/04/69/183110469.db2.gz	PYTVMVDAQMHSOK-UHFFFAOYSA-N	0	0	311.305	2.326	10	5		DEBERN
Cc1n[nH]cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000040825952	183137351	/nfs/dbraw/zinc/13/73/51/183137351.db2.gz	JUWORBAZAVZABJ-UHFFFAOYSA-N	0	0	316.726	2.081	10	5		DEBERN
C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1	ZINC000040724415	183124731	/nfs/dbraw/zinc/12/47/31/183124731.db2.gz	OFMWSHBMHGJOGV-QMMMGPOBSA-N	0	0	304.755	2.279	10	5		DEBERN
COc1ccc(C[S@](=O)c2ccc([N+](=O)[O-])cc2)cc1N	ZINC000040970198	183153084	/nfs/dbraw/zinc/15/30/84/183153084.db2.gz	BRSGYRBYIMJMSY-OAQYLSRUSA-N	0	0	306.343	2.493	10	5		DEBERN
CN(C)c1ccc(C(=O)NCCc2nccs2)cc1[N+](=O)[O-]	ZINC000041539007	183200368	/nfs/dbraw/zinc/20/03/68/183200368.db2.gz	RBQGSJFVHKTYJS-UHFFFAOYSA-N	0	0	320.374	2.090	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1C[S@](=O)c1ccc(N)cc1	ZINC000042197136	183241208	/nfs/dbraw/zinc/24/12/08/183241208.db2.gz	REUYLKAMNTYZAI-OAQYLSRUSA-N	0	0	306.343	2.493	10	5		DEBERN
CCc1nccn1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1	ZINC000105851202	194146087	/nfs/dbraw/zinc/14/60/87/194146087.db2.gz	UKRMROROLIWXRS-NSHDSACASA-N	0	0	318.333	2.424	10	5		DEBERN
Cc1cnn([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)c1	ZINC000105856255	194148136	/nfs/dbraw/zinc/14/81/36/194148136.db2.gz	KJCVOPSGPSAHNS-NSHDSACASA-N	0	0	304.306	2.170	10	5		DEBERN
O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H](Cn2cncn2)C1	ZINC000105884590	194157184	/nfs/dbraw/zinc/15/71/84/194157184.db2.gz	CSYYDRXUZSEQMI-LBPRGKRZSA-N	0	0	319.340	2.238	10	5		DEBERN
CN(C(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C1CCOCC1	ZINC000050037614	183768331	/nfs/dbraw/zinc/76/83/31/183768331.db2.gz	QCNJYJZCVUMOPV-UHFFFAOYSA-N	0	0	300.261	2.124	10	5		DEBERN
CC[C@@H](C)N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NC	ZINC000050651285	183794341	/nfs/dbraw/zinc/79/43/41/183794341.db2.gz	XSWFHOWSAVWUHJ-SECBINFHSA-N	0	0	301.368	2.056	10	5		DEBERN
CCCN(CC)S(=O)(=O)c1ccc(NCC)c([N+](=O)[O-])c1	ZINC000050651585	183794708	/nfs/dbraw/zinc/79/47/08/183794708.db2.gz	QFQVEAKBTJCNFR-UHFFFAOYSA-N	0	0	315.395	2.447	10	5		DEBERN
O=C1COc2cc([N+](=O)[O-])c(N[C@H]3CCCSC3)cc2N1	ZINC000125661600	284830168	/nfs/dbraw/zinc/83/01/68/284830168.db2.gz	RSSLSAKQFCMPHT-QMMMGPOBSA-N	0	0	309.347	2.233	10	5		DEBERN
COC(CNc1ccc(Br)cc1[N+](=O)[O-])OC	ZINC000111112713	194392161	/nfs/dbraw/zinc/39/21/61/194392161.db2.gz	QCEJKHLCGWDLHT-UHFFFAOYSA-N	0	0	305.128	2.388	10	5		DEBERN
Cc1ncc(CN2C(=O)C(=O)c3cc([N+](=O)[O-])ccc32)s1	ZINC000059894401	184142288	/nfs/dbraw/zinc/14/22/88/184142288.db2.gz	UBBIWLQCESRHRE-UHFFFAOYSA-N	0	0	303.299	2.089	10	5		DEBERN
O=c1[nH]nc(Sc2nc(Cl)ccc2[N+](=O)[O-])n1C1CC1	ZINC000061595979	184176567	/nfs/dbraw/zinc/17/65/67/184176567.db2.gz	VGJFKLKLPDXBPO-UHFFFAOYSA-N	0	0	313.726	2.014	10	5		DEBERN
CCN[C@H](CCOc1ccc([N+](=O)[O-])cc1Cl)C(=O)OC	ZINC000062539638	184241465	/nfs/dbraw/zinc/24/14/65/184241465.db2.gz	HGVNMXBOMIHUHV-LLVKDONJSA-N	0	0	316.741	2.168	10	5		DEBERN
O=C([O-])[C@@H](CCOc1ccc([N+](=O)[O-])cc1Cl)[NH2+]C1CC1	ZINC000062539675	184241720	/nfs/dbraw/zinc/24/17/20/184241720.db2.gz	XBRPGZSRUTWJQV-LLVKDONJSA-N	0	0	314.725	2.222	10	5		DEBERN
O=C1Cc2cc([N+](=O)[O-])c(NCCc3nccs3)cc2N1	ZINC000063134528	184272791	/nfs/dbraw/zinc/27/27/91/184272791.db2.gz	CDQJJKVGHQWBDC-UHFFFAOYSA-N	0	0	304.331	2.201	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cccc(F)c2)s1	ZINC000066000217	184384361	/nfs/dbraw/zinc/38/43/61/184384361.db2.gz	QULJSXZEBJUTNU-UHFFFAOYSA-N	0	0	316.335	2.274	10	5		DEBERN
O=C(CNc1ccccc1[N+](=O)[O-])N1CCO[C@@H]2CCCC[C@H]21	ZINC000065869460	184381484	/nfs/dbraw/zinc/38/14/84/184381484.db2.gz	LHQOHWIHGQCCNM-HUUCEWRRSA-N	0	0	319.361	2.177	10	5		DEBERN
Cn1cc(CNc2cc([N+](=O)[O-])ccc2Br)nn1	ZINC000159385639	197349846	/nfs/dbraw/zinc/34/98/46/197349846.db2.gz	BNDUFPQBITUKOM-UHFFFAOYSA-N	0	0	312.127	2.098	10	5		DEBERN
COc1cc(N2CC[C@H](c3cnn(C)c3)C2)c(F)cc1[N+](=O)[O-]	ZINC000119783648	195035245	/nfs/dbraw/zinc/03/52/45/195035245.db2.gz	AGZHZUWKXQFMMY-JTQLQIEISA-N	0	0	320.324	2.470	10	5		DEBERN
C[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H](C)O1	ZINC000119785263	195036567	/nfs/dbraw/zinc/03/65/67/195036567.db2.gz	ITDGIIUZHQKAQW-AOOOYVTPSA-N	0	0	303.318	2.326	10	5		DEBERN
COC(=O)CCCN(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000119882125	195054198	/nfs/dbraw/zinc/05/41/98/195054198.db2.gz	WJMKUSYGWGVJEM-UHFFFAOYSA-N	0	0	319.317	2.101	10	5		DEBERN
COCOc1c([C@H](C)O)cc(Br)cc1[N+](=O)[O-]	ZINC000157872093	197222162	/nfs/dbraw/zinc/22/21/62/197222162.db2.gz	XVXLGTIYQUVPOG-LURJTMIESA-N	0	0	306.112	2.393	10	5		DEBERN
O=C(NCCc1ccc([N+](=O)[O-])cc1)c1nnc(Cl)s1	ZINC000157238650	197172682	/nfs/dbraw/zinc/17/26/82/197172682.db2.gz	ZTYYRAOFTBHHAX-UHFFFAOYSA-N	0	0	312.738	2.072	10	5		DEBERN
CCO[C@@H]1C[C@@H](Nc2c(F)cc(F)cc2[N+](=O)[O-])[C@@H]1OC	ZINC000157222435	197170797	/nfs/dbraw/zinc/17/07/97/197170797.db2.gz	IOFBDUAGKDECIV-XWIASGKRSA-N	0	0	302.277	2.477	10	5		DEBERN
Cc1ccc(CNC(=O)c2cccc(NN)c2[N+](=O)[O-])s1	ZINC000157101663	197161933	/nfs/dbraw/zinc/16/19/33/197161933.db2.gz	QVLBBDLVQPGCBO-UHFFFAOYSA-N	0	0	306.347	2.180	10	5		DEBERN
O=C(NCc1cccc([N+](=O)[O-])c1)c1cccc2nccnc21	ZINC000543480637	285290240	/nfs/dbraw/zinc/29/02/40/285290240.db2.gz	KBXIAJPQZDVKEE-UHFFFAOYSA-N	0	0	308.297	2.468	10	5		DEBERN
O=[N+]([O-])c1ccc(CCN2CCCC[C@H]2c2nc[nH]n2)cc1	ZINC000121821519	195355386	/nfs/dbraw/zinc/35/53/86/195355386.db2.gz	FRIDGYXOHDBUQV-AWEZNQCLSA-N	0	0	301.350	2.483	10	5		DEBERN
CNc1sc(S(=O)(=O)N(C)CC(C)(C)C)cc1[N+](=O)[O-]	ZINC000125528593	195759739	/nfs/dbraw/zinc/75/97/39/195759739.db2.gz	LCNMDHWSJZBEKW-UHFFFAOYSA-N	0	0	321.424	2.365	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000127737600	195904913	/nfs/dbraw/zinc/90/49/13/195904913.db2.gz	GQYIYGDAKIRIFL-HZMBPMFUSA-N	0	0	310.375	2.424	10	5		DEBERN
O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(O)CCCC[C@H]2C1	ZINC000128143498	195939555	/nfs/dbraw/zinc/93/95/55/195939555.db2.gz	SUWGOYCHOBQWCC-WMLDXEAASA-N	0	0	318.373	2.291	10	5		DEBERN
Cc1cc(C(=O)N[C@H]2Cc3ccccc3[C@@H]2O)ccc1[N+](=O)[O-]	ZINC000178322031	132534663	/nfs/dbraw/zinc/53/46/63/132534663.db2.gz	DKCCRUBROGIRGY-HOCLYGCPSA-N	0	0	312.325	2.291	10	5		DEBERN
C[C@@H]1CCC[C@@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000359943349	133154415	/nfs/dbraw/zinc/15/44/15/133154415.db2.gz	YYCPIWNREDFBJP-DGCLKSJQSA-N	0	0	312.391	2.450	10	5		DEBERN
C[C@@H]1CC[C@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1	ZINC000360386524	133179252	/nfs/dbraw/zinc/17/92/52/133179252.db2.gz	XJOAAIXXSDIJAS-NEPJUHHUSA-N	0	0	312.391	2.450	10	5		DEBERN
COC[C@@](C)(NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(F)(F)F	ZINC000362203741	133216716	/nfs/dbraw/zinc/21/67/16/133216716.db2.gz	LBZVJCAQAIBWBA-LLVKDONJSA-N	0	0	324.230	2.431	10	5		DEBERN
C[C@@H]1[C@@H](CO)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000362475599	133232125	/nfs/dbraw/zinc/23/21/25/133232125.db2.gz	ZGIXMYKBFHFEIE-RKDXNWHRSA-N	0	0	313.741	2.483	10	5		DEBERN
Cc1nn(C)c(Nc2ccc3ccc(=O)n(C)c3c2)c1[N+](=O)[O-]	ZINC000362674485	133244640	/nfs/dbraw/zinc/24/46/40/133244640.db2.gz	ZWOJMSKSQSRYBS-UHFFFAOYSA-N	0	0	313.317	2.232	10	5		DEBERN
CSc1ccc(C(=O)N2CC[C@H](CCO)C2)cc1[N+](=O)[O-]	ZINC000126966128	144732197	/nfs/dbraw/zinc/73/21/97/144732197.db2.gz	PBRCBYBQEOPBQX-SNVBAGLBSA-N	0	0	310.375	2.161	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCCc3ccccc3C2)n1	ZINC000191603996	145061692	/nfs/dbraw/zinc/06/16/92/145061692.db2.gz	PUXYCJAGJQUXGL-UHFFFAOYSA-N	0	0	314.345	2.400	10	5		DEBERN
Nc1nccc([C@@H]2CCCN(c3ccc(F)cc3[N+](=O)[O-])C2)n1	ZINC000192757366	145078382	/nfs/dbraw/zinc/07/83/82/145078382.db2.gz	FGFJNLHAZYHDSR-SNVBAGLBSA-N	0	0	317.324	2.490	10	5		DEBERN
COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000249322825	145182027	/nfs/dbraw/zinc/18/20/27/145182027.db2.gz	MHFUWOYXDMECDA-MXWKQRLJSA-N	0	0	322.317	2.134	10	5		DEBERN
CC(=O)c1ccc(NC2CCC(C(N)=O)CC2)c([N+](=O)[O-])c1	ZINC000346676761	146122563	/nfs/dbraw/zinc/12/25/63/146122563.db2.gz	REUKEDIALHLTDP-UHFFFAOYSA-N	0	0	305.334	2.253	10	5		DEBERN
CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](CO)C1CC1	ZINC000358350544	147118292	/nfs/dbraw/zinc/11/82/92/147118292.db2.gz	KYXUGGCLQWHFGM-ZFWWWQNUSA-N	0	0	320.389	2.298	10	5		DEBERN
Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](C(=O)N2CCCC2)C1	ZINC000408123488	148566373	/nfs/dbraw/zinc/56/63/73/148566373.db2.gz	HHBGIANXUKMKMO-CYBMUJFWSA-N	0	0	318.377	2.137	10	5		DEBERN
CCOc1ccc(C(=O)Cn2cc([N+](=O)[O-])cc(C)c2=O)cc1	ZINC000127158941	401722699	/nfs/dbraw/zinc/72/26/99/401722699.db2.gz	MZJCYPQUSWSSCN-UHFFFAOYSA-N	0	0	316.313	2.347	10	5		DEBERN
CNC(=O)Cc1nc(CNc2cc([N+](=O)[O-])ccc2C)cs1	ZINC000129276495	401801720	/nfs/dbraw/zinc/80/17/20/401801720.db2.gz	MVGBIMROPUSTAL-UHFFFAOYSA-N	0	0	320.374	2.260	10	5		DEBERN
Cc1ccc(CN2CCN(c3cccnn3)CC2)cc1[N+](=O)[O-]	ZINC000127947793	401756697	/nfs/dbraw/zinc/75/66/97/401756697.db2.gz	DFVCABWLRUTURW-UHFFFAOYSA-N	0	0	313.361	2.015	10	5		DEBERN
CSCCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000128854446	401794879	/nfs/dbraw/zinc/79/48/79/401794879.db2.gz	BISGHWLCRROZOK-UHFFFAOYSA-N	0	0	318.420	2.325	10	5		DEBERN
C[C@H](CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[S@](C)=O	ZINC000130416102	401830756	/nfs/dbraw/zinc/83/07/56/401830756.db2.gz	OHKFZGUMLCELOM-ZPWHCFADSA-N	0	0	301.324	2.072	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000116118606	401842422	/nfs/dbraw/zinc/84/24/22/401842422.db2.gz	KMIPLLCNQSAFTE-GFCCVEGCSA-N	0	0	314.345	2.266	10	5		DEBERN
Cc1ccc(NC(=O)N2C[C@H](C(N)=O)CC[C@H]2C)cc1[N+](=O)[O-]	ZINC000119147746	401929264	/nfs/dbraw/zinc/92/92/64/401929264.db2.gz	FMIPDDSRPRZIBI-GHMZBOCLSA-N	0	0	320.349	2.021	10	5		DEBERN
CCOc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-]	ZINC000032516373	401879230	/nfs/dbraw/zinc/87/92/30/401879230.db2.gz	NHDVUFSMVYQLLM-QWRGUYRKSA-N	0	0	308.334	2.243	10	5		DEBERN
O=C1CC[C@@H](CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)N1	ZINC000079932492	401884218	/nfs/dbraw/zinc/88/42/18/401884218.db2.gz	CGIRYIQQEKKCER-QMMMGPOBSA-N	0	0	303.240	2.304	10	5		DEBERN
Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)[C@H]2CCCO2)cc1[N+](=O)[O-]	ZINC000046218169	401967829	/nfs/dbraw/zinc/96/78/29/401967829.db2.gz	AKQHJURTMDWWQT-TVQRCGJNSA-N	0	0	323.305	2.109	10	5		DEBERN
O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@]2(O)CCCC[C@H]2C1	ZINC000151315467	402028870	/nfs/dbraw/zinc/02/88/70/402028870.db2.gz	QZMHMOQUQAMIAG-WMLDXEAASA-N	0	0	318.373	2.291	10	5		DEBERN
CC[C@@H](NC(=O)c1cc[nH]c(=O)c1)c1cccc([N+](=O)[O-])c1	ZINC000152919808	402116846	/nfs/dbraw/zinc/11/68/46/402116846.db2.gz	UNMNDGQWUBGPNR-CYBMUJFWSA-N	0	0	301.302	2.164	10	5		DEBERN
CCOC(=O)C(C)(C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000066773274	402141855	/nfs/dbraw/zinc/14/18/55/402141855.db2.gz	GOYMYXMDKDUOMT-UHFFFAOYSA-N	0	0	319.317	2.148	10	5		DEBERN
Cc1ccc(OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cn1	ZINC000101540994	402146459	/nfs/dbraw/zinc/14/64/59/402146459.db2.gz	GPXVCFSJHJMAEW-UHFFFAOYSA-N	0	0	313.313	2.266	10	5		DEBERN
CCOCCO[C@@H](C)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C	ZINC000103375160	402185892	/nfs/dbraw/zinc/18/58/92/402185892.db2.gz	PBUKAZXUWGCMCX-NEPJUHHUSA-N	0	0	322.361	2.314	10	5		DEBERN
CCOC(=O)CC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])s1	ZINC000124917429	402203785	/nfs/dbraw/zinc/20/37/85/402203785.db2.gz	PTBLKMIAYRLQPT-MRVPVSSYSA-N	0	0	300.336	2.118	10	5		DEBERN
O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[C@]2(CCOC2)C1	ZINC000153824013	402172226	/nfs/dbraw/zinc/17/22/26/402172226.db2.gz	SZQHCAZQXKHDSR-JFDDCEBESA-N	0	0	302.330	2.247	10	5		DEBERN
CC(C)Nc1ncc(I)cc1[N+](=O)[O-]	ZINC000070451361	402260562	/nfs/dbraw/zinc/26/05/62/402260562.db2.gz	GNYZYSCZZNQTNS-UHFFFAOYSA-N	0	0	307.091	2.415	10	5		DEBERN
COc1cc(C(=O)N2CC[C@H](C)[C@H](OC)C2)ccc1[N+](=O)[O-]	ZINC000187817810	286197917	/nfs/dbraw/zinc/19/79/17/286197917.db2.gz	CSKKPRATCNXKJG-IINYFYTJSA-N	0	0	308.334	2.100	10	5		DEBERN
CC(C)(C)n1ncn(Cc2ccc([N+](=O)[O-])cc2Cl)c1=O	ZINC000155835718	402268573	/nfs/dbraw/zinc/26/85/73/402268573.db2.gz	SMCXFJLUONCGDB-UHFFFAOYSA-N	0	0	310.741	2.410	10	5		DEBERN
C[C@H]1OCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]1C	ZINC000166174815	402481846	/nfs/dbraw/zinc/48/18/46/402481846.db2.gz	QBZHUSZWTNUZIB-VHSXEESVSA-N	0	0	303.318	2.326	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(Cc2ccc(Br)cn2)c1=O	ZINC000178340566	402487095	/nfs/dbraw/zinc/48/70/95/402487095.db2.gz	WUXDXLGBUXKXNN-UHFFFAOYSA-N	0	0	324.134	2.271	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1c1ncc[nH]1	ZINC000171030707	402550829	/nfs/dbraw/zinc/55/08/29/402550829.db2.gz	YVRPKEVFSORXTR-ZDUSSCGKSA-N	0	0	315.333	2.389	10	5		DEBERN
O=C(N[C@@H]1Cc2ccccc2[C@H]1O)c1ccc([N+](=O)[O-])s1	ZINC000178690640	402526899	/nfs/dbraw/zinc/52/68/99/402526899.db2.gz	GQRWEZKSIAHHAK-ZWNOBZJWSA-N	0	0	304.327	2.044	10	5		DEBERN
CCOC(=O)[C@H](C)N(C(=O)c1ccc([N+](=O)[O-])cc1C)C1CC1	ZINC000189388784	402536094	/nfs/dbraw/zinc/53/60/94/402536094.db2.gz	WRPSGFSEPOPWLO-NSHDSACASA-N	0	0	320.345	2.459	10	5		DEBERN
CO[C@H]1CN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[C@H]1C	ZINC000251655386	402648900	/nfs/dbraw/zinc/64/89/00/402648900.db2.gz	HSOBZQMYWCVVQL-DOMZBBRYSA-N	0	0	321.377	2.199	10	5		DEBERN
C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1C	ZINC000173289754	402691231	/nfs/dbraw/zinc/69/12/31/402691231.db2.gz	SWGRCAGRFNFACG-RKDXNWHRSA-N	0	0	304.393	2.465	10	5		DEBERN
CC[C@H](NS(=O)(=O)[C@@H](C)COC)c1cccc([N+](=O)[O-])c1	ZINC000175113381	402780240	/nfs/dbraw/zinc/78/02/40/402780240.db2.gz	CWFCJTSKTNPVGC-GWCFXTLKSA-N	0	0	316.379	2.000	10	5		DEBERN
CC[C@H](NC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1)C(=O)OC	ZINC000183071835	402736470	/nfs/dbraw/zinc/73/64/70/402736470.db2.gz	FAVAXPUAVHZACZ-LXKVQUBZSA-N	0	0	306.318	2.066	10	5		DEBERN
CC(C)N(Cc1nc(N(C)C)no1)Cc1ccc([N+](=O)[O-])cc1	ZINC000192701090	402744931	/nfs/dbraw/zinc/74/49/31/402744931.db2.gz	LVNZYINCGIXPBS-UHFFFAOYSA-N	0	0	319.365	2.454	10	5		DEBERN
O=C(Nc1ccncc1[N+](=O)[O-])N1CCCC[C@H]1c1cn[nH]c1	ZINC000183443810	402767892	/nfs/dbraw/zinc/76/78/92/402767892.db2.gz	ZUCRYGGOWKGOEH-LBPRGKRZSA-N	0	0	316.321	2.472	10	5		DEBERN
CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000175005537	402770936	/nfs/dbraw/zinc/77/09/36/402770936.db2.gz	STEXFXVOZOUWNI-UKRRQHHQSA-N	0	0	303.362	2.294	10	5		DEBERN
Cc1ccc([C@H](C)NC(=O)NCc2ccnn2C)cc1[N+](=O)[O-]	ZINC000175838015	402836911	/nfs/dbraw/zinc/83/69/11/402836911.db2.gz	PRPNPDIGYSJCER-NSHDSACASA-N	0	0	317.349	2.197	10	5		DEBERN
COC(=O)c1cc(NCc2c(C)n[nH]c2C)ccc1[N+](=O)[O-]	ZINC000301268038	403607839	/nfs/dbraw/zinc/60/78/39/403607839.db2.gz	WWNGXLDUDNNAFV-UHFFFAOYSA-N	0	0	304.306	2.333	10	5		DEBERN
Cc1cc(C[C@H](C)NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)[nH]n1	ZINC000567041922	292284564	/nfs/dbraw/zinc/28/45/64/292284564.db2.gz	DKAXERWJKOXNQZ-CMPLNLGQSA-N	0	0	316.361	2.477	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1	ZINC000268039964	292289319	/nfs/dbraw/zinc/28/93/19/292289319.db2.gz	NZXCHTOKPQICJL-CJNGLKHVSA-N	0	0	305.378	2.060	10	5		DEBERN
O=C1CC2(CCCCC2)N(CCOc2cccc([N+](=O)[O-])c2)N1	ZINC000289357103	403924854	/nfs/dbraw/zinc/92/48/54/403924854.db2.gz	NRKIMCIKTUWZNV-UHFFFAOYSA-N	0	0	319.361	2.413	10	5		DEBERN
CC1(C)CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[C@@H]1C(F)(F)F	ZINC000408081644	405107310	/nfs/dbraw/zinc/10/73/10/405107310.db2.gz	NEMOCQBRMORREP-QMMMGPOBSA-N	0	0	320.271	2.369	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)n1	ZINC000408369931	405187797	/nfs/dbraw/zinc/18/77/97/405187797.db2.gz	DUEGDXRNGCLUAA-MPEURRAXSA-N	0	0	318.377	2.462	10	5		DEBERN
CCC[C@](C)(O)CNC(=O)c1ccc(OCC)c([N+](=O)[O-])c1	ZINC000440559423	405317368	/nfs/dbraw/zinc/31/73/68/405317368.db2.gz	LNLDVOUKQDXTAV-HNNXBMFYSA-N	0	0	310.350	2.274	10	5		DEBERN
O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCC12CCC2	ZINC000446907799	405396426	/nfs/dbraw/zinc/39/64/26/405396426.db2.gz	GPHJZGXDCMORFM-UHFFFAOYSA-N	0	0	315.333	2.309	10	5		DEBERN
CC(C)(C)OC(=O)N1CC(c2ncnc(Cl)c2[N+](=O)[O-])C1	ZINC000536954226	406281216	/nfs/dbraw/zinc/28/12/16/406281216.db2.gz	LXAITOMGSADCOU-UHFFFAOYSA-N	0	0	314.729	2.373	10	5		DEBERN
CC(=O)N(C)c1ccccc1NC(=O)c1cc([N+](=O)[O-])cn1C	ZINC000522805224	406410625	/nfs/dbraw/zinc/41/06/25/406410625.db2.gz	OQRNPLSYIWAXOT-UHFFFAOYSA-N	0	0	316.317	2.168	10	5		DEBERN
CC[C@@H]1C(=O)N(CC)CCN1c1ncc([N+](=O)[O-])cc1Cl	ZINC000547965729	406461692	/nfs/dbraw/zinc/46/16/92/406461692.db2.gz	QTUJMCUBXSMLSD-LLVKDONJSA-N	0	0	312.757	2.090	10	5		DEBERN
COc1cc([N+](=O)[O-])cc(C=O)c1I	ZINC000575728049	406825636	/nfs/dbraw/zinc/82/56/36/406825636.db2.gz	MMIZCPZMFDIYNZ-UHFFFAOYSA-N	0	0	307.043	2.021	10	5		DEBERN
COc1c(I)cc([N+](=O)[O-])cc1C=O	ZINC000575728103	406825671	/nfs/dbraw/zinc/82/56/71/406825671.db2.gz	PGOJCWWZAPOYSE-UHFFFAOYSA-N	0	0	307.043	2.021	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)NC(C2CC2)C2CC2)cc1F	ZINC000131193971	196148861	/nfs/dbraw/zinc/14/88/61/196148861.db2.gz	QCDCBKNZGLMWBH-UHFFFAOYSA-N	0	0	314.338	2.201	10	5		DEBERN
CCCNc1cc(S(=O)(=O)N[C@@H](C)CC)ccc1[N+](=O)[O-]	ZINC000131721328	196193649	/nfs/dbraw/zinc/19/36/49/196193649.db2.gz	SFCDZUJOXCMKNS-JTQLQIEISA-N	0	0	315.395	2.494	10	5		DEBERN
CCCNc1cc(S(=O)(=O)N(C)C(C)C)ccc1[N+](=O)[O-]	ZINC000131776846	196198114	/nfs/dbraw/zinc/19/81/14/196198114.db2.gz	NINWKACNBJLJFK-UHFFFAOYSA-N	0	0	315.395	2.446	10	5		DEBERN
CNc1cc(S(=O)(=O)N[C@@H](C)CC(C)C)ccc1[N+](=O)[O-]	ZINC000131914662	196209974	/nfs/dbraw/zinc/20/99/74/196209974.db2.gz	UWTUKZSDCFBWGA-JTQLQIEISA-N	0	0	315.395	2.349	10	5		DEBERN
CCNc1cc(S(=O)(=O)N2CC[C@H](C)C2)ccc1[N+](=O)[O-]	ZINC000132062025	196223092	/nfs/dbraw/zinc/22/30/92/196223092.db2.gz	XANFIEFNZXLFKD-JTQLQIEISA-N	0	0	313.379	2.057	10	5		DEBERN
CCS(=O)(=O)C[C@@H](C)Nc1c(F)cc(F)cc1[N+](=O)[O-]	ZINC000132289893	196242633	/nfs/dbraw/zinc/24/26/33/196242633.db2.gz	LDWIYKHOQGZZMC-SSDOTTSWSA-N	0	0	308.306	2.108	10	5		DEBERN
CCC(CC)(CC)NS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1	ZINC000132824557	196286613	/nfs/dbraw/zinc/28/66/13/196286613.db2.gz	KBPLJFDYMUSHPX-UHFFFAOYSA-N	0	0	315.395	2.424	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(O)CCC(C)C	ZINC000174476449	224783965	/nfs/dbraw/zinc/78/39/65/224783965.db2.gz	XODDJYIGZJKTGR-HNNXBMFYSA-N	0	0	309.366	2.215	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCS[C@@H]3CCCC[C@@H]32)n1	ZINC000191661968	225114855	/nfs/dbraw/zinc/11/48/55/225114855.db2.gz	MGIAPCLDSCKNTI-CMPLNLGQSA-N	0	0	324.406	2.311	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCCCNc2ccccc2)n1	ZINC000191809227	225117694	/nfs/dbraw/zinc/11/76/94/225117694.db2.gz	PNVHMQFUSWFOTP-UHFFFAOYSA-N	0	0	317.349	2.043	10	5		DEBERN
C[C@@H](CCC1CC1)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000302227273	230183532	/nfs/dbraw/zinc/18/35/32/230183532.db2.gz	UMOJMNLFRARNGD-VIFPVBQESA-N	0	0	313.379	2.233	10	5		DEBERN
CCOc1ccc(C(=O)Nc2ccn(C(C)C)n2)cc1[N+](=O)[O-]	ZINC000362129605	424849891	/nfs/dbraw/zinc/84/98/91/424849891.db2.gz	MGLKOBVSKRVFCT-UHFFFAOYSA-N	0	0	318.333	3.023	10	5		DEBERN
CCOc1ccc([N+](=O)[O-])cc1CNc1ncn(C(C)(C)C)n1	ZINC000438239419	425035672	/nfs/dbraw/zinc/03/56/72/425035672.db2.gz	PSJOOQOTLPBWSQ-UHFFFAOYSA-N	0	0	319.365	2.952	10	5		DEBERN
CCc1[nH]nc(NC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])c1C	ZINC000449848176	425062510	/nfs/dbraw/zinc/06/25/10/425062510.db2.gz	DYZJCYVMGCVYDT-UHFFFAOYSA-N	0	0	322.296	2.589	10	5		DEBERN
O=C(NCCc1cccc2ccccc21)c1cc([N+](=O)[O-])n[nH]1	ZINC000505532246	269310935	/nfs/dbraw/zinc/31/09/35/269310935.db2.gz	JMNBPNBAAULCDD-UHFFFAOYSA-N	0	0	310.313	2.444	10	5		DEBERN
CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1	ZINC000247153546	274065770	/nfs/dbraw/zinc/06/57/70/274065770.db2.gz	XLWDARDVDMVLPJ-PMPSAXMXSA-N	0	0	306.362	2.363	10	5		DEBERN
CCOC(=O)c1cn2cc([N+](=O)[O-])cc(C(F)(F)F)c2n1	ZINC000091691569	276301127	/nfs/dbraw/zinc/30/11/27/276301127.db2.gz	JBDOIIWZWOUYCX-UHFFFAOYSA-N	0	0	303.196	2.438	10	5		DEBERN
CO[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[C@H]1C	ZINC000276089177	277344163	/nfs/dbraw/zinc/34/41/63/277344163.db2.gz	VFVDUZMTHWIYNR-BMIGLBTASA-N	0	0	319.361	2.341	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](C)O[C@]3(CCCOC3)C2)n1	ZINC000408340239	301205477	/nfs/dbraw/zinc/20/54/77/301205477.db2.gz	USCBMCWZHSXJQN-CZUORRHYSA-N	0	0	321.377	2.381	10	5		DEBERN
Cc1ccnc(N2CCC[C@@H](C(=O)N3CCCC3)C2)c1[N+](=O)[O-]	ZINC000408174702	302270450	/nfs/dbraw/zinc/27/04/50/302270450.db2.gz	LTXYBZAENCKRBP-CYBMUJFWSA-N	0	0	318.377	2.137	10	5		DEBERN
Cc1ccnc(N2C[C@@]3(CCOC3)OC(C)(C)C2)c1[N+](=O)[O-]	ZINC000373673834	302275219	/nfs/dbraw/zinc/27/52/19/302275219.db2.gz	UGKKOUWJSVDTHF-OAHLLOKOSA-N	0	0	307.350	2.073	10	5		DEBERN
CCCn1nccc1NC(=O)CNc1ccccc1[N+](=O)[O-]	ZINC000102380769	521674281	/nfs/dbraw/zinc/67/42/81/521674281.db2.gz	IKROCDWVOHXLJL-UHFFFAOYSA-N	0	0	303.322	2.252	10	5		DEBERN
COCCc1noc(CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)n1	ZINC000171614881	522037506	/nfs/dbraw/zinc/03/75/06/522037506.db2.gz	LBMRTTRLIMMQKL-LLVKDONJSA-N	0	0	320.349	2.360	10	5		DEBERN
O=c1[nH]cnc2cc(NC[C@H](O)C3CCCC3)c([N+](=O)[O-])cc12	ZINC000301306739	534880417	/nfs/dbraw/zinc/88/04/17/534880417.db2.gz	ZIQCCKINVVEDJP-AWEZNQCLSA-N	0	0	318.333	2.207	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(C)n[nH]c3c2)n1	ZINC000191882746	529154589	/nfs/dbraw/zinc/15/45/89/529154589.db2.gz	CNMGLWWBLQKDAX-UHFFFAOYSA-N	0	0	314.305	2.248	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccnn2C(C)(C)C)n1	ZINC000191567981	529155038	/nfs/dbraw/zinc/15/50/38/529155038.db2.gz	BUPKZBGPZACHON-UHFFFAOYSA-N	0	0	306.326	2.015	10	5		DEBERN
CC(C)[C@@H](C)CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000362612791	535146682	/nfs/dbraw/zinc/14/66/82/535146682.db2.gz	ZKSOCXNJVFTDDR-NSHDSACASA-N	0	0	322.361	2.317	10	5		DEBERN
CC[C@@H](NC(=O)NC[C@H](CO)C1CC1)c1cccc([N+](=O)[O-])c1	ZINC000358902159	535794492	/nfs/dbraw/zinc/79/44/92/535794492.db2.gz	NEYHJXFYFDCRQY-UKRRQHHQSA-N	0	0	321.377	2.364	10	5		DEBERN
CC[C@H](NC(=O)NC[C@H](CO)C1CC1)c1cccc([N+](=O)[O-])c1	ZINC000358902158	536170082	/nfs/dbraw/zinc/17/00/82/536170082.db2.gz	NEYHJXFYFDCRQY-HIFRSBDPSA-N	0	0	321.377	2.364	10	5		DEBERN
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCCCCF	ZINC000312541018	625457010	/nfs/dbraw/zinc/45/70/10/625457010.db2.gz	LAXFIORCFKIIGI-UHFFFAOYSA-N	0	0	308.306	2.070	10	5		DEBERN
Cc1cc(S(=O)(=O)N[C@@H](C)C(C)C)cc([N+](=O)[O-])c1F	ZINC000154240005	636186756	/nfs/dbraw/zinc/18/67/56/636186756.db2.gz	HJEWGUUDCAOQTJ-VIFPVBQESA-N	0	0	304.343	2.365	10	5		DEBERN
CSC(C)(C)CNS(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000173235862	636754601	/nfs/dbraw/zinc/75/46/01/636754601.db2.gz	UAOGMBCAQZWJHN-UHFFFAOYSA-N	0	0	310.422	2.076	10	5		DEBERN
C/C(=C\C(=O)OCC(=O)N(C)C1CC1)c1ccc([N+](=O)[O-])cc1	ZINC000752352350	639174770	/nfs/dbraw/zinc/17/47/70/639174770.db2.gz	ZVKYKZGUJHMWSX-PKNBQFBNSA-N	0	0	318.329	2.162	10	5		DEBERN
C/C(=C\C(=O)N1CC(n2ccnc2)C1)c1ccc([N+](=O)[O-])cc1	ZINC000752391751	639180670	/nfs/dbraw/zinc/18/06/70/639180670.db2.gz	FHMKZPDIRPJRLG-XYOKQWHBSA-N	0	0	312.329	2.278	10	5		DEBERN
COC(=O)/C(C)=C\COC(=O)c1cc(F)cc(C)c1[N+](=O)[O-]	ZINC000752556668	639196988	/nfs/dbraw/zinc/19/69/88/639196988.db2.gz	CEQJCJSCVZBUGU-YWEYNIOJSA-N	0	0	311.265	2.318	10	5		DEBERN
C/C(=C\C(=O)NC[C@H](O)c1ccco1)c1ccc([N+](=O)[O-])cc1	ZINC000752558230	639197529	/nfs/dbraw/zinc/19/75/29/639197529.db2.gz	FDUYDTAPRICIDV-MARXPDLDSA-N	0	0	316.313	2.441	10	5		DEBERN
C/C(=C/C(=O)N[C@@H]1CCCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1	ZINC000752601670	639202056	/nfs/dbraw/zinc/20/20/56/639202056.db2.gz	UJQBCKBXVGRAMX-HIZYVFIXSA-N	0	0	304.346	2.418	10	5		DEBERN
C/C(=C/C(=O)O[C@@H](C)c1nncn1C)c1ccc([N+](=O)[O-])cc1	ZINC000805529084	641984739	/nfs/dbraw/zinc/98/47/39/641984739.db2.gz	SJGSYIIADNYTHU-IEHMKBBKSA-N	0	0	316.317	2.431	10	5		DEBERN
CNc1ncc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)s1	ZINC000802659799	645541449	/nfs/dbraw/zinc/54/14/49/645541449.db2.gz	MWDOOBMDQNEGPY-UHFFFAOYSA-N	0	0	320.374	2.408	10	5		DEBERN
CC(=O)c1cc([N+](=O)[O-])ccc1N(C)CC(=O)NC(C)(C)C	ZINC000804332087	645756393	/nfs/dbraw/zinc/75/63/93/645756393.db2.gz	WYFJBQZAJAOTCE-UHFFFAOYSA-N	0	0	307.350	2.148	10	5		DEBERN
CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(OCCCO)CC1	ZINC000804544711	645788182	/nfs/dbraw/zinc/78/81/82/645788182.db2.gz	NWSIOZWPAKDDRN-UHFFFAOYSA-N	0	0	322.361	2.165	10	5		DEBERN
C[C@@H]1CO[C@@H](c2ccccc2)CN1Cn1nccc1[N+](=O)[O-]	ZINC000171044040	646683725	/nfs/dbraw/zinc/68/37/25/646683725.db2.gz	IRXUYFFTZWMBSE-TZMCWYRMSA-N	0	0	302.334	2.211	10	5		DEBERN
C[C@H](OC(=O)CCCS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1	ZINC000108939046	651763223	/nfs/dbraw/zinc/76/32/23/651763223.db2.gz	USSRWIYFTZCSEM-JTQLQIEISA-N	0	0	315.347	2.024	10	5		DEBERN
O=[N+]([O-])c1cnn(CN2CCC(Oc3ccc(F)cc3)CC2)c1	ZINC000115513289	652168769	/nfs/dbraw/zinc/16/87/69/652168769.db2.gz	YOYBDSPEDUDIPP-UHFFFAOYSA-N	0	0	320.324	2.431	10	5		DEBERN
C[C@H](OC(=O)CNC(=O)C(C)(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000098161179	684056811	/nfs/dbraw/zinc/05/68/11/684056811.db2.gz	HKXNTYAUPHTELX-JTQLQIEISA-N	0	0	308.334	2.361	10	5		DEBERN
COCCCOC1CN(c2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000128751729	684173095	/nfs/dbraw/zinc/17/30/95/684173095.db2.gz	MZEWBDXNROZQMU-UHFFFAOYSA-N	0	0	300.742	2.490	10	5		DEBERN
CC(C)c1nc([C@H]2CCCN2Cn2nccc2[N+](=O)[O-])no1	ZINC000195298522	685093930	/nfs/dbraw/zinc/09/39/30/685093930.db2.gz	MHWWKKVKFTUDLQ-SNVBAGLBSA-N	0	0	306.326	2.092	10	5		DEBERN
CO[C@H]1CC[C@H]1N(C)c1ncc(Br)cc1[N+](=O)[O-]	ZINC000724125990	777249856	/nfs/dbraw/zinc/24/98/56/777249856.db2.gz	JXESYLYUOCCPAZ-SCZZXKLOSA-N	0	0	316.155	2.366	10	5		DEBERN
CC(C)(C)OC(=O)N1C[C@@H](NCc2ccccc2[N+](=O)[O-])CO1	ZINC000703313631	1086494221	/nfs/dbraw/zinc/49/42/21/1086494221.db2.gz	XMIIYPLFEAMGJU-GFCCVEGCSA-N	0	0	323.349	2.235	10	5		DEBERN
O=[N+]([O-])c1cnc(N[C@H]2CCCN3CCSC[C@@H]23)s1	ZINC000720410866	1089731860	/nfs/dbraw/zinc/73/18/60/1089731860.db2.gz	LARIFVCUOLZWKV-IUCAKERBSA-N	0	0	300.409	2.043	10	5		DEBERN
CC[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(NC)c2)C1	ZINC000162094493	197543659	/nfs/dbraw/zinc/54/36/59/197543659.db2.gz	UUPZMRLABYPBAZ-SNVBAGLBSA-N	0	0	313.379	2.057	10	5		DEBERN
O=[N+]([O-])c1nc(I)ccc1OC1CC1	ZINC000095735832	185383737	/nfs/dbraw/zinc/38/37/37/185383737.db2.gz	GWFIXOMKNXZYAX-UHFFFAOYSA-N	0	0	306.059	2.136	10	5		DEBERN
C[C@H](O)COc1c([C@H](C)O)cc(Br)cc1[N+](=O)[O-]	ZINC000165236814	197673294	/nfs/dbraw/zinc/67/32/94/197673294.db2.gz	PSPVVXMKBZYETD-BQBZGAKWSA-N	0	0	320.139	2.170	10	5		DEBERN
COC(=O)C[C@@H](C)[S@](=O)Cc1ccc([N+](=O)[O-])cc1Cl	ZINC000090101504	185281921	/nfs/dbraw/zinc/28/19/21/185281921.db2.gz	HFEGOFJCDOCWFM-SQFXPLBJSA-N	0	0	319.766	2.449	10	5		DEBERN
O=[N+]([O-])c1ccc(-c2noc(CNCC(F)(F)F)n2)cc1	ZINC000092442578	185318746	/nfs/dbraw/zinc/31/87/46/185318746.db2.gz	ZMKCCEFMKWBOGS-UHFFFAOYSA-N	0	0	302.212	2.297	10	5		DEBERN
Cc1nn(C)c(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)c1[N+](=O)[O-]	ZINC000248385425	282507079	/nfs/dbraw/zinc/50/70/79/282507079.db2.gz	IKPLNZMSPPGCOG-ZMLRMANQSA-N	0	0	306.366	2.287	10	5		DEBERN
CNc1ccc(S(=O)(=O)N[C@H](C)CC2CC2)cc1[N+](=O)[O-]	ZINC000070108995	190858827	/nfs/dbraw/zinc/85/88/27/190858827.db2.gz	NEKFVKRTGFKQOU-SECBINFHSA-N	0	0	313.379	2.103	10	5		DEBERN
CCOc1ccc(C(=O)N[C@]2(CC)CCOC2)cc1[N+](=O)[O-]	ZINC000616690607	362911131	/nfs/dbraw/zinc/91/11/31/362911131.db2.gz	VNHBHGQPOBQGLX-OAHLLOKOSA-N	0	0	308.334	2.292	10	5		DEBERN
CCNc1ccc(S(=O)(=O)NC2CC(C)C2)c([N+](=O)[O-])c1	ZINC000133619421	186000664	/nfs/dbraw/zinc/00/06/64/186000664.db2.gz	GVOIMZICBCQXDW-UHFFFAOYSA-N	0	0	313.379	2.103	10	5		DEBERN
CNc1ccc(S(=O)(=O)N[C@@H](C)C2CCC2)cc1[N+](=O)[O-]	ZINC000138103509	186013948	/nfs/dbraw/zinc/01/39/48/186013948.db2.gz	GMVXJZBXWABFPR-VIFPVBQESA-N	0	0	313.379	2.103	10	5		DEBERN
O=C(NCCCc1ncc[nH]1)c1cccc(Cl)c1[N+](=O)[O-]	ZINC000139446569	186022648	/nfs/dbraw/zinc/02/26/48/186022648.db2.gz	FCRFWVANEBJIKA-UHFFFAOYSA-N	0	0	308.725	2.334	10	5		DEBERN
CNc1nc(Cl)nc(Oc2ccc(OC)cc2[N+](=O)[O-])n1	ZINC000147847090	186041701	/nfs/dbraw/zinc/04/17/01/186041701.db2.gz	ZDGFEUAPYIMGDG-UHFFFAOYSA-N	0	0	311.685	2.276	10	5		DEBERN
CCNc1ccc(S(=O)(=O)N(C)C2CCC2)cc1[N+](=O)[O-]	ZINC000144249134	186034665	/nfs/dbraw/zinc/03/46/65/186034665.db2.gz	XXGZKTSVKGONCB-UHFFFAOYSA-N	0	0	313.379	2.200	10	5		DEBERN
CS(=O)(=O)[C@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])c(F)c1	ZINC000148765600	186045648	/nfs/dbraw/zinc/04/56/48/186045648.db2.gz	WMOFXEFLNNGWQX-PWSUYJOCSA-N	0	0	302.327	2.112	10	5		DEBERN
C[C@@H]1CC[C@@H](C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)O1	ZINC000159685219	186135042	/nfs/dbraw/zinc/13/50/42/186135042.db2.gz	ARWJDABCIJIOFY-RNCFNFMXSA-N	0	0	316.317	2.491	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCn1cccn1	ZINC000183893552	186228263	/nfs/dbraw/zinc/22/82/63/186228263.db2.gz	JIYNOTZEKJIYAL-OUKQBFOZSA-N	0	0	314.345	2.353	10	5		DEBERN
Cc1c(NC(=O)[C@@H](C)NC(=O)c2ccco2)cccc1[N+](=O)[O-]	ZINC000072532897	191188276	/nfs/dbraw/zinc/18/82/76/191188276.db2.gz	WHOIATYLGJMFNR-SNVBAGLBSA-N	0	0	317.301	2.253	10	5		DEBERN
Cc1ccc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2C)cc1[N+](=O)[O-]	ZINC000173838169	198259043	/nfs/dbraw/zinc/25/90/43/198259043.db2.gz	HOYHTKHSZAJFPN-ZYHUDNBSSA-N	0	0	319.361	2.489	10	5		DEBERN
C=CS(=O)(=O)c1cc(F)c(Br)cc1[N+](=O)[O-]	ZINC000085105421	192480827	/nfs/dbraw/zinc/48/08/27/192480827.db2.gz	VNOZRCXBQPTCSL-UHFFFAOYSA-N	0	0	310.100	2.414	10	5		DEBERN
CC(=O)Nc1ccc(C2=CSC3=NCCN23)cc1[N+](=O)[O-]	ZINC000004696912	181138585	/nfs/dbraw/zinc/13/85/85/181138585.db2.gz	NUXMSMHKEQVIBV-UHFFFAOYSA-N	0	0	304.331	2.270	10	5		DEBERN
CCOC(Cn1c(=O)ccc2cc([N+](=O)[O-])ccc21)OCC	ZINC000075313467	191462258	/nfs/dbraw/zinc/46/22/58/191462258.db2.gz	KJGUTKRNJHPRQD-UHFFFAOYSA-N	0	0	306.318	2.309	10	5		DEBERN
COc1cc(F)c([N+](=O)[O-])c(NCCNC(=O)C(C)(C)C)c1	ZINC000080652301	355377902	/nfs/dbraw/zinc/37/79/02/355377902.db2.gz	ZVTOFRVSILESQQ-UHFFFAOYSA-N	0	0	313.329	2.317	10	5		DEBERN
C[C@H](NCc1nsc(N(C)C)n1)c1cccc([N+](=O)[O-])c1	ZINC000180441426	356050963	/nfs/dbraw/zinc/05/09/63/356050963.db2.gz	RGNLWIXVKDCPSE-VIFPVBQESA-N	0	0	307.379	2.363	10	5		DEBERN
CC[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1nccs1	ZINC000185079726	356201372	/nfs/dbraw/zinc/20/13/72/356201372.db2.gz	CAIQKQDWQRCSRC-NSHDSACASA-N	0	0	320.374	2.391	10	5		DEBERN
C[C@H]1CC[C@@H](O)CN1c1ncc([N+](=O)[O-])cc1Br	ZINC000399329624	283151434	/nfs/dbraw/zinc/15/14/34/283151434.db2.gz	NUMBUCDOQAGMLZ-IONNQARKSA-N	0	0	316.155	2.102	10	5		DEBERN
C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cccc([N+](=O)[O-])c1	ZINC000081449342	192268843	/nfs/dbraw/zinc/26/88/43/192268843.db2.gz	ZXMXCNCZYFIXJU-JTQLQIEISA-N	0	0	308.334	2.397	10	5		DEBERN
CO[C@]1(CO)CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1	ZINC000401950264	356728463	/nfs/dbraw/zinc/72/84/63/356728463.db2.gz	UFWRAEYLZGDKTG-CYBMUJFWSA-N	0	0	300.742	2.226	10	5		DEBERN
Cc1nc(N2CC[C@@H](C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-]	ZINC000178056966	198810313	/nfs/dbraw/zinc/81/03/13/198810313.db2.gz	HKJXECRELVNWEE-LLVKDONJSA-N	0	0	307.350	2.466	10	5		DEBERN
CNc1ccc(C(=O)N2CCC[C@@H]2c2cc[nH]n2)cc1[N+](=O)[O-]	ZINC000586815787	357374261	/nfs/dbraw/zinc/37/42/61/357374261.db2.gz	UVBJMSQLSLTGAG-CYBMUJFWSA-N	0	0	315.333	2.337	10	5		DEBERN
COC[C@H]1CN(c2ccc([N+](=O)[O-])c(OC)c2)CC(C)(C)O1	ZINC000585780719	357353836	/nfs/dbraw/zinc/35/38/36/357353836.db2.gz	IVBWKOPKAJDPKU-GFCCVEGCSA-N	0	0	310.350	2.234	10	5		DEBERN
CC1(C)CO[C@@H](Cn2cc(Br)c([N+](=O)[O-])n2)C1	ZINC000601076262	359913956	/nfs/dbraw/zinc/91/39/56/359913956.db2.gz	LFRFMDOLDYHMDR-SSDOTTSWSA-N	0	0	304.144	2.369	10	5		DEBERN
CO[C@H]1C[C@H](c2nc(C)no2)N(c2ccc(F)cc2[N+](=O)[O-])C1	ZINC000189140204	200354815	/nfs/dbraw/zinc/35/48/15/200354815.db2.gz	CYTWLAUFIZNTNC-GXFFZTMASA-N	0	0	322.296	2.392	10	5		DEBERN
CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2cccc([N+](=O)[O-])c2)C1	ZINC000189322307	200382399	/nfs/dbraw/zinc/38/23/99/200382399.db2.gz	FQUKCHWRLKUFOJ-UONOGXRCSA-N	0	0	318.333	2.248	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(C)OCCCO1	ZINC000192164868	200830117	/nfs/dbraw/zinc/83/01/17/200830117.db2.gz	KDCNEBFJJXKOPN-UHFFFAOYSA-N	0	0	309.322	2.178	10	5		DEBERN
O=[N+]([O-])c1cnc(N[C@H]2CCC[C@@H](O)C2)c(Br)c1	ZINC000610512802	361413481	/nfs/dbraw/zinc/41/34/81/361413481.db2.gz	VUOATDSSNJGDGH-IONNQARKSA-N	0	0	316.155	2.468	10	5		DEBERN
CCOc1cccc(CCNc2c([N+](=O)[O-])c(C)nn2C)n1	ZINC000610755552	361461142	/nfs/dbraw/zinc/46/11/42/361461142.db2.gz	UMUBRQWQDYGIEE-UHFFFAOYSA-N	0	0	305.338	2.085	10	5		DEBERN
CC(C)c1n[nH]c(C(=O)NC[C@@H](C)c2ccncc2)c1[N+](=O)[O-]	ZINC000610923951	361492850	/nfs/dbraw/zinc/49/28/50/361492850.db2.gz	WZXJTLRHMGREBB-SNVBAGLBSA-N	0	0	317.349	2.370	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CCC(NC(=O)C(C)C)CC2)n1	ZINC000611616024	361645206	/nfs/dbraw/zinc/64/52/06/361645206.db2.gz	ULLQJYCNYASSAM-UHFFFAOYSA-N	0	0	320.393	2.348	10	5		DEBERN
Cn1ncc([N+](=O)[O-])c1NC(=O)Cc1ccc(Cl)c(F)c1	ZINC000448391201	239333061	/nfs/dbraw/zinc/33/30/61/239333061.db2.gz	PTHBMMGGKRMQKC-UHFFFAOYSA-N	0	0	312.688	2.302	10	5		DEBERN
O=C(NC1CC(O)C1)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1	ZINC000091416158	193053414	/nfs/dbraw/zinc/05/34/14/193053414.db2.gz	KUEUTUZCWSRWDG-UHFFFAOYSA-N	0	0	305.117	2.155	10	5		DEBERN
O=C1C[C@@H](Nc2ccc([N+](=O)[O-])nc2)CN1C1CCCCC1	ZINC000450395281	241784944	/nfs/dbraw/zinc/78/49/44/241784944.db2.gz	REXXZSZBXYKZLS-GFCCVEGCSA-N	0	0	304.350	2.335	10	5		DEBERN
C[C@H](O)CCC(=O)Nc1ccc(Br)cc1[N+](=O)[O-]	ZINC000092153327	193168622	/nfs/dbraw/zinc/16/86/22/193168622.db2.gz	CCQFEJZDOJNHQT-ZETCQYMHSA-N	0	0	317.139	2.457	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1NCc1cc(C(N)=O)cs1	ZINC000093686412	193289526	/nfs/dbraw/zinc/28/95/26/193289526.db2.gz	RNZLZPBQBSDNOC-UHFFFAOYSA-N	0	0	307.331	2.376	10	5		DEBERN
CN(C)c1nnc(SCc2ccc([N+](=O)[O-])c(N)c2)s1	ZINC000094778287	193396499	/nfs/dbraw/zinc/39/64/99/193396499.db2.gz	JULOZECFMCKVAH-UHFFFAOYSA-N	0	0	311.392	2.387	10	5		DEBERN
CCC[C@]1(C)CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1	ZINC000266235725	205204324	/nfs/dbraw/zinc/20/43/24/205204324.db2.gz	VOVWGTKEFWHQSS-OAHLLOKOSA-N	0	0	306.366	2.495	10	5		DEBERN
Cc1nn(C)c(C(=O)N(C)CCc2ccc(F)cc2)c1[N+](=O)[O-]	ZINC000098102427	193785970	/nfs/dbraw/zinc/78/59/70/193785970.db2.gz	ZFIAQBSSAOWRGS-UHFFFAOYSA-N	0	0	320.324	2.091	10	5		DEBERN
CC(=O)c1c[nH]c(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c1	ZINC000157877565	291635295	/nfs/dbraw/zinc/63/52/95/291635295.db2.gz	TYSAKGVLGYYDKA-UHFFFAOYSA-N	0	0	313.313	2.324	10	5		DEBERN
O=[N+]([O-])c1c(NC[C@H](CO)c2ccccc2)nc2sccn21	ZINC000487637742	248766923	/nfs/dbraw/zinc/76/69/23/248766923.db2.gz	QGOXCHBONRCULV-LLVKDONJSA-N	0	0	318.358	2.492	10	5		DEBERN
O=C(Nc1ncc([N+](=O)[O-])s1)c1cc(F)ccc1[N+](=O)[O-]	ZINC000040690647	183118528	/nfs/dbraw/zinc/11/85/28/183118528.db2.gz	ANCHJQFLYMNURB-UHFFFAOYSA-N	0	0	312.238	2.351	10	5		DEBERN
O=[N+]([O-])c1c(N2CCCC2)[nH]cnc1=NNc1ccccc1	ZINC000040608986	183108870	/nfs/dbraw/zinc/10/88/70/183108870.db2.gz	NFGKMLKJALNNFZ-UHFFFAOYSA-N	0	0	300.322	2.424	10	5		DEBERN
CCCOC(=O)COc1cc2oc(=O)cc(C)c2cc1[N+](=O)[O-]	ZINC000040925145	183149419	/nfs/dbraw/zinc/14/94/19/183149419.db2.gz	GWLBKARFKUJISN-UHFFFAOYSA-N	0	0	321.285	2.342	10	5		DEBERN
COc1ccc(C[S@](=O)c2ccccc2N)cc1[N+](=O)[O-]	ZINC000042194311	183240636	/nfs/dbraw/zinc/24/06/36/183240636.db2.gz	IFTFLUQPHIRINS-OAQYLSRUSA-N	0	0	306.343	2.493	10	5		DEBERN
Cc1c(C(=O)N[C@@H](C)[C@H]2CCCO2)cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000046218152	183558047	/nfs/dbraw/zinc/55/80/47/183558047.db2.gz	OJQVVFJQKHBGRO-TVQRCGJNSA-N	0	0	323.305	2.109	10	5		DEBERN
Cc1cnn(C[C@@H]2CN(Cc3ccccc3[N+](=O)[O-])CCO2)c1	ZINC000105891729	194158360	/nfs/dbraw/zinc/15/83/60/194158360.db2.gz	UAHOEPZETIVOSC-HNNXBMFYSA-N	0	0	316.361	2.001	10	5		DEBERN
CC(C)[C@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000048698887	183680763	/nfs/dbraw/zinc/68/07/63/183680763.db2.gz	OHRKRHVPXCMQGZ-QMMMGPOBSA-N	0	0	313.741	2.347	10	5		DEBERN
Nc1ccccc1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000050102170	183772992	/nfs/dbraw/zinc/77/29/92/183772992.db2.gz	ICTZSSFVNBXYRB-UHFFFAOYSA-N	0	0	307.331	2.119	10	5		DEBERN
CCCN(CC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC	ZINC000050651582	183794561	/nfs/dbraw/zinc/79/45/61/183794561.db2.gz	WCXMPLHDVPEHAW-UHFFFAOYSA-N	0	0	315.395	2.447	10	5		DEBERN
CNc1ccc(S(=O)(=O)N[C@@H](C)CC(C)C)cc1[N+](=O)[O-]	ZINC000050653474	183795050	/nfs/dbraw/zinc/79/50/50/183795050.db2.gz	DBZBPHHXIOEGSA-JTQLQIEISA-N	0	0	315.395	2.349	10	5		DEBERN
CN1CC[C@H](Nc2cc([N+](=O)[O-])ccc2Br)C1	ZINC000159354419	197347425	/nfs/dbraw/zinc/34/74/25/197347425.db2.gz	DYGCHICUDIGJAN-QMMMGPOBSA-N	0	0	300.156	2.473	10	5		DEBERN
CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCC(C)C	ZINC000062098034	184205762	/nfs/dbraw/zinc/20/57/62/184205762.db2.gz	MYGVOSOMGCFYKV-UHFFFAOYSA-N	0	0	315.395	2.351	10	5		DEBERN
CC[NH2+][C@H](CCOc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000062595808	184244427	/nfs/dbraw/zinc/24/44/27/184244427.db2.gz	LVEQRQVOFWTBSH-SECBINFHSA-N	0	0	302.714	2.080	10	5		DEBERN
CN(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000064240261	184293068	/nfs/dbraw/zinc/29/30/68/184293068.db2.gz	RIELFLQZGXFTEW-UHFFFAOYSA-N	0	0	312.372	2.477	10	5		DEBERN
O=C(NCCCn1cccn1)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000119862079	195051170	/nfs/dbraw/zinc/05/11/70/195051170.db2.gz	XFYFLKURWXODKT-UHFFFAOYSA-N	0	0	313.317	2.093	10	5		DEBERN
Cc1sc(C(=O)N[C@H](CO)Cc2ccccc2)cc1[N+](=O)[O-]	ZINC000120188225	195114213	/nfs/dbraw/zinc/11/42/13/195114213.db2.gz	ZQRIVKHEKDEDHE-LBPRGKRZSA-N	0	0	320.370	2.298	10	5		DEBERN
CCCNc1ncnc(Sc2cc(C)nn2C)c1[N+](=O)[O-]	ZINC000158948519	197313215	/nfs/dbraw/zinc/31/32/15/197313215.db2.gz	XJYGACQTSKQCQF-UHFFFAOYSA-N	0	0	308.367	2.400	10	5		DEBERN
O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCC[C@H]1O	ZINC000158251579	197257057	/nfs/dbraw/zinc/25/70/57/197257057.db2.gz	VIHMGECIJWGJMZ-BXUZGUMPSA-N	0	0	324.402	2.354	10	5		DEBERN
O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H](n2cncn2)C1	ZINC000105899345	285155990	/nfs/dbraw/zinc/15/59/90/285155990.db2.gz	CHSQFTPSAAQGEG-LLVKDONJSA-N	0	0	305.313	2.163	10	5		DEBERN
O=[N+]([O-])c1cc(S(=O)(=O)NCC2CCC2)sc1Cl	ZINC000157408442	197185075	/nfs/dbraw/zinc/18/50/75/197185075.db2.gz	SPODWWXZGVOSKZ-UHFFFAOYSA-N	0	0	310.784	2.388	10	5		DEBERN
COC(=O)[C@@]12CCC[C@H]1CN(c1ncc([N+](=O)[O-])cc1C)C2	ZINC000302202751	533155421	/nfs/dbraw/zinc/15/54/21/533155421.db2.gz	VUGCEGJMFZTCSW-XHDPSFHLSA-N	0	0	305.334	2.078	10	5		DEBERN
C[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CCOCC1	ZINC000122152369	195410015	/nfs/dbraw/zinc/41/00/15/195410015.db2.gz	FQDHKRGKSDTSOY-LBPRGKRZSA-N	0	0	306.362	2.316	10	5		DEBERN
CC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(NC)s1)C(C)C	ZINC000125489454	195755173	/nfs/dbraw/zinc/75/51/73/195755173.db2.gz	FXNXIIPZUNRWFY-MRVPVSSYSA-N	0	0	321.424	2.411	10	5		DEBERN
CC(=O)N1CCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C	ZINC000194071504	132536584	/nfs/dbraw/zinc/53/65/84/132536584.db2.gz	ACUGBMWMNRXYMV-CYBMUJFWSA-N	0	0	305.334	2.161	10	5		DEBERN
C/C(=C/c1nc([C@@H](C)NC(N)=O)no1)c1ccc([N+](=O)[O-])cc1	ZINC000350544512	132882103	/nfs/dbraw/zinc/88/21/03/132882103.db2.gz	SFTQBMOLGKAVKY-UFGYOYAJSA-N	0	0	317.305	2.268	10	5		DEBERN
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](CO)C1CC1	ZINC000359775231	133143937	/nfs/dbraw/zinc/14/39/37/133143937.db2.gz	PUXATOUQPFVLRX-CMPLNLGQSA-N	0	0	324.402	2.210	10	5		DEBERN
CCOc1ccc(C(=O)NCCC[C@@H](O)CC)cc1[N+](=O)[O-]	ZINC000360307749	133174687	/nfs/dbraw/zinc/17/46/87/133174687.db2.gz	FBOJXFSTKCYHCL-LBPRGKRZSA-N	0	0	310.350	2.274	10	5		DEBERN
CC(=O)N1CCC(Nc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1	ZINC000564892332	292118594	/nfs/dbraw/zinc/11/85/94/292118594.db2.gz	IOZIQKUPUMOHAX-UHFFFAOYSA-N	0	0	318.377	2.291	10	5		DEBERN
CSc1ccc(NC(=O)Cn2cc([N+](=O)[O-])c(C)n2)cc1	ZINC000181810538	144909960	/nfs/dbraw/zinc/90/99/60/144909960.db2.gz	LTPPQMSGRKUAPW-UHFFFAOYSA-N	0	0	306.347	2.460	10	5		DEBERN
CC[C@H](NCc1noc(COC)n1)c1cccc([N+](=O)[O-])c1	ZINC000182819784	144921704	/nfs/dbraw/zinc/92/17/04/144921704.db2.gz	TUTKYVONRYVHPU-LBPRGKRZSA-N	0	0	306.322	2.365	10	5		DEBERN
CCOC1CC(CCNC(=O)c2cc([N+](=O)[O-])cnc2C)C1	ZINC000190076346	145037419	/nfs/dbraw/zinc/03/74/19/145037419.db2.gz	TZABPUFCIFFIOR-UHFFFAOYSA-N	0	0	307.350	2.233	10	5		DEBERN
COc1cc(CN2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1F	ZINC000248637203	145162882	/nfs/dbraw/zinc/16/28/82/145162882.db2.gz	VDVVRUZRIWYJEU-LBPRGKRZSA-N	0	0	309.341	2.023	10	5		DEBERN
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1	ZINC000262533372	145290542	/nfs/dbraw/zinc/29/05/42/145290542.db2.gz	PYQPNSLDHOVVOZ-NDMJEZRESA-N	0	0	305.334	2.160	10	5		DEBERN
CC(=O)N1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1	ZINC000357333967	147089034	/nfs/dbraw/zinc/08/90/34/147089034.db2.gz	XPRREUJOFPFLAE-JTQLQIEISA-N	0	0	311.769	2.301	10	5		DEBERN
O=C(c1cccc([N+](=O)[O-])c1)N1CC(O)(c2ccc(F)cc2)C1	ZINC000375780856	148411916	/nfs/dbraw/zinc/41/19/16/148411916.db2.gz	QWDMKSQROFJBIM-UHFFFAOYSA-N	0	0	316.288	2.078	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(CCC(=O)Nc2cccc(F)c2)c1=O	ZINC000127198340	401724097	/nfs/dbraw/zinc/72/40/97/401724097.db2.gz	LMVVYMFFEMGSSS-UHFFFAOYSA-N	0	0	319.292	2.233	10	5		DEBERN
Cc1c(NC(=O)[C@@H](C)N(C)C[C@@H]2CCCO2)cccc1[N+](=O)[O-]	ZINC000076299104	401789776	/nfs/dbraw/zinc/78/97/76/401789776.db2.gz	UWVGOBWWYZQXNR-OLZOCXBDSA-N	0	0	321.377	2.341	10	5		DEBERN
CSCCCCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000128827342	401793655	/nfs/dbraw/zinc/79/36/55/401793655.db2.gz	IGKGRSXIAZQRRG-UHFFFAOYSA-N	0	0	318.420	2.325	10	5		DEBERN
CSCCCCNS(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000128823624	401793667	/nfs/dbraw/zinc/79/36/67/401793667.db2.gz	QGIMUFSEKLVDPE-UHFFFAOYSA-N	0	0	310.422	2.078	10	5		DEBERN
Cc1c([N+](=O)[O-])cc(C(=O)N2[C@H](C)COC[C@@H]2C)cc1[N+](=O)[O-]	ZINC000130622112	401836260	/nfs/dbraw/zinc/83/62/60/401836260.db2.gz	UIPGUPAMCVKENL-DTORHVGOSA-N	0	0	323.305	2.061	10	5		DEBERN
Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]1c1ccco1	ZINC000116042645	401840683	/nfs/dbraw/zinc/84/06/83/401840683.db2.gz	GBTBERCCIDWPJH-LBPRGKRZSA-N	0	0	318.333	2.447	10	5		DEBERN
COc1c(O)c2c(=O)c3ccccc3[nH]c2c(OC)c1OC	ZINC000014725151	401812409	/nfs/dbraw/zinc/81/24/09/401812409.db2.gz	XZTUXMKQNGVVRF-UHFFFAOYSA-N	0	0	301.298	2.413	10	5		DEBERN
CC(=O)N(C)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1	ZINC000118262144	401894225	/nfs/dbraw/zinc/89/42/25/401894225.db2.gz	AWGNNDVJGOWGAD-UHFFFAOYSA-N	0	0	303.274	2.423	10	5		DEBERN
Cc1ccc([C@H](C)OC(=O)Cc2cnn(C)c2)cc1[N+](=O)[O-]	ZINC000084809736	401910462	/nfs/dbraw/zinc/91/04/62/401910462.db2.gz	YLXNSUDKBSSOFE-NSHDSACASA-N	0	0	303.318	2.484	10	5		DEBERN
CCOC(=O)CC[C@H](C)NC(=O)c1ccc(F)cc1[N+](=O)[O-]	ZINC000089802161	401964907	/nfs/dbraw/zinc/96/49/07/401964907.db2.gz	FNHUWOLXVDJVBV-VIFPVBQESA-N	0	0	312.297	2.196	10	5		DEBERN
CCOC(=O)CC[C@@H](C)NC(=O)c1ccc(F)cc1[N+](=O)[O-]	ZINC000089802159	401964914	/nfs/dbraw/zinc/96/49/14/401964914.db2.gz	FNHUWOLXVDJVBV-SECBINFHSA-N	0	0	312.297	2.196	10	5		DEBERN
CC[C@@H](C)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000152334943	402090646	/nfs/dbraw/zinc/09/06/46/402090646.db2.gz	KHFWORMVDUHEJC-BMIGLBTASA-N	0	0	305.334	2.408	10	5		DEBERN
O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1	ZINC000124529730	402184666	/nfs/dbraw/zinc/18/46/66/402184666.db2.gz	GQMRFXUNHXLTST-ZEGGKSINSA-N	0	0	310.737	2.091	10	5		DEBERN
C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCc1cnn(C)c1	ZINC000103375116	402185955	/nfs/dbraw/zinc/18/59/55/402185955.db2.gz	VORCJVXIVIVCOH-NSHDSACASA-N	0	0	314.345	2.239	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(C(N)=O)c(F)c1	ZINC000102627074	402169297	/nfs/dbraw/zinc/16/92/97/402169297.db2.gz	ZKHXDKMYAZALTO-UHFFFAOYSA-N	0	0	317.276	2.394	10	5		DEBERN
Cc1cc(NC(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)ccc1[N+](=O)[O-]	ZINC000153832535	402173544	/nfs/dbraw/zinc/17/35/44/402173544.db2.gz	TVLWIYBXENBTFH-QWRGUYRKSA-N	0	0	320.349	2.021	10	5		DEBERN
Cc1cc(NC(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)ccc1[N+](=O)[O-]	ZINC000153832742	402173945	/nfs/dbraw/zinc/17/39/45/402173945.db2.gz	TVLWIYBXENBTFH-MNOVXSKESA-N	0	0	320.349	2.021	10	5		DEBERN
CN(c1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(c2cccnn2)C1	ZINC000108946632	402265035	/nfs/dbraw/zinc/26/50/35/402265035.db2.gz	HGGIZJUOQDNQLT-HNNXBMFYSA-N	0	0	313.361	2.490	10	5		DEBERN
Cc1cnn(C[C@H]2CN(c3ccc([N+](=O)[O-])cc3)CCO2)c1	ZINC000108950288	402265157	/nfs/dbraw/zinc/26/51/57/402265157.db2.gz	FAMNPKPRORYHLP-OAHLLOKOSA-N	0	0	302.334	2.005	10	5		DEBERN
C[C@H]1CO[C@@H](c2ccccc2)CN1CCn1ccc([N+](=O)[O-])n1	ZINC000176227399	402292470	/nfs/dbraw/zinc/29/24/70/402292470.db2.gz	UTPRMZAEHUCTIP-DZGCQCFKSA-N	0	0	316.361	2.253	10	5		DEBERN
O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1Cn1ccnc1	ZINC000176341790	402300884	/nfs/dbraw/zinc/30/08/84/402300884.db2.gz	PFZNIYFQYRHJIK-CQSZACIVSA-N	0	0	315.333	2.488	10	5		DEBERN
O=[N+]([O-])c1cn(Cc2nc3cc(Br)ccc3[nH]2)cn1	ZINC000185512812	402358106	/nfs/dbraw/zinc/35/81/06/402358106.db2.gz	XFNWFFIRSVWIDH-UHFFFAOYSA-N	0	0	322.122	2.478	10	5		DEBERN
CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCc2n[nH]cc21	ZINC000177382313	402396732	/nfs/dbraw/zinc/39/67/32/402396732.db2.gz	VEUAEWAPEVIBPC-GFCCVEGCSA-N	0	0	314.345	2.396	10	5		DEBERN
O=[N+]([O-])c1cc(CN2CCC(Cn3cncn3)CC2)cs1	ZINC000186263126	402416036	/nfs/dbraw/zinc/41/60/36/402416036.db2.gz	WHBXCGTZSTYNNJ-UHFFFAOYSA-N	0	0	307.379	2.160	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCO[C@H]1C(C)C	ZINC000177952212	402446947	/nfs/dbraw/zinc/44/69/47/402446947.db2.gz	RPWBFENAKDKIRE-DOMZBBRYSA-N	0	0	321.377	2.479	10	5		DEBERN
CSc1cccc(C(=O)N2[C@H](C)CN(C)C[C@@H]2C)c1[N+](=O)[O-]	ZINC000186893445	402469924	/nfs/dbraw/zinc/46/99/24/402469924.db2.gz	XBPLENZIHDNBBD-PHIMTYICSA-N	0	0	323.418	2.481	10	5		DEBERN
Cc1cc(C(=O)N[C@H]2Cc3ccccc3[C@H]2O)cc([N+](=O)[O-])c1	ZINC000178678100	402525449	/nfs/dbraw/zinc/52/54/49/402525449.db2.gz	OHMADAGOKAVBMW-JKSUJKDBSA-N	0	0	312.325	2.291	10	5		DEBERN
CCOC(=O)[C@@H](C)N(C(=O)c1ccc([N+](=O)[O-])cc1C)C1CC1	ZINC000189388758	402536141	/nfs/dbraw/zinc/53/61/41/402536141.db2.gz	WRPSGFSEPOPWLO-LLVKDONJSA-N	0	0	320.345	2.459	10	5		DEBERN
Cc1cc([N+](=O)[O-])cnc1NCc1cccnc1-n1ccnc1	ZINC000180972961	402631638	/nfs/dbraw/zinc/63/16/38/402631638.db2.gz	LOJAWWXWWSHZJG-UHFFFAOYSA-N	0	0	310.317	2.491	10	5		DEBERN
Cc1noc(CCNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)n1	ZINC000191341739	402662675	/nfs/dbraw/zinc/66/26/75/402662675.db2.gz	AXHOZSVSBBAIPH-UHFFFAOYSA-N	0	0	319.321	2.267	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cnn(-c3ncccn3)c2)c1	ZINC000173117049	402685956	/nfs/dbraw/zinc/68/59/56/402685956.db2.gz	BONRWOJCIGDCFS-UHFFFAOYSA-N	0	0	324.300	2.131	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(-c2nc(COc3ccccc3)no2)n1	ZINC000191677697	402686285	/nfs/dbraw/zinc/68/62/85/402686285.db2.gz	FHFOJSHYEDYFLD-UHFFFAOYSA-N	0	0	315.289	2.440	10	5		DEBERN
CCn1cc([C@@H]2CN(Cc3ccccc3[N+](=O)[O-])CCO2)cn1	ZINC000191699931	402687047	/nfs/dbraw/zinc/68/70/47/402687047.db2.gz	XFXLCXQAMULQJE-INIZCTEOSA-N	0	0	316.361	2.385	10	5		DEBERN
O=C1[C@@H]2[C@H]3CCC[C@@H]3CN2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000191699038	402687371	/nfs/dbraw/zinc/68/73/71/402687371.db2.gz	PAIAILSUPQUXES-ICCXJUOJSA-N	0	0	301.302	2.162	10	5		DEBERN
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCCC2)c1	ZINC000182513238	402696200	/nfs/dbraw/zinc/69/62/00/402696200.db2.gz	BTQDRCKIQKSYTA-UHFFFAOYSA-N	0	0	304.755	2.341	10	5		DEBERN
COC(=O)/C=C/c1ccc(NCCCCCO)c([N+](=O)[O-])c1	ZINC000192582241	402738641	/nfs/dbraw/zinc/73/86/41/402738641.db2.gz	CHXOCGADAHEZTK-SOFGYWHQSA-N	0	0	308.334	2.356	10	5		DEBERN
Cc1c(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)ccn1C	ZINC000192616768	402740377	/nfs/dbraw/zinc/74/03/77/402740377.db2.gz	LATXJNPCAHOAQW-UHFFFAOYSA-N	0	0	315.329	2.145	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCOC2(CCCCC2)C1	ZINC000174462567	402742378	/nfs/dbraw/zinc/74/23/78/402742378.db2.gz	QDZWSTBOUAJANM-UHFFFAOYSA-N	0	0	319.361	2.474	10	5		DEBERN
CCc1nc(C2(NC(=O)c3ccc([N+](=O)[O-])o3)CCCC2)no1	ZINC000175132429	402781704	/nfs/dbraw/zinc/78/17/04/402781704.db2.gz	PJUIIKDZOZLIDQ-UHFFFAOYSA-N	0	0	320.305	2.333	10	5		DEBERN
CC(C)[C@H](C)CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1	ZINC000183711955	402791147	/nfs/dbraw/zinc/79/11/47/402791147.db2.gz	WLLRNXDNDHHXAX-GFCCVEGCSA-N	0	0	314.407	2.349	10	5		DEBERN
CCn1nc(C)c([N+](=O)[O-])c1NC1CCN(C(=O)C(C)C)CC1	ZINC000195346949	402842940	/nfs/dbraw/zinc/84/29/40/402842940.db2.gz	MIFHNVDMJRGFOH-UHFFFAOYSA-N	0	0	323.397	2.179	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN2CCCC[C@@H]2C1	ZINC000194851058	402818600	/nfs/dbraw/zinc/81/86/00/402818600.db2.gz	WFDGELALICAPEG-CQSZACIVSA-N	0	0	303.362	2.214	10	5		DEBERN
CC(=O)c1ccc(N[C@H]2CCC[C@H](C(N)=O)C2)c([N+](=O)[O-])c1	ZINC000301350411	403618974	/nfs/dbraw/zinc/61/89/74/403618974.db2.gz	IRPQMBHVJFGFOC-RYUDHWBXSA-N	0	0	305.334	2.253	10	5		DEBERN
C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCO[C@]2(CCOC2)C1	ZINC000347384778	403688369	/nfs/dbraw/zinc/68/83/69/403688369.db2.gz	XWYUUELOCFRKFI-CRPZLVSXSA-N	0	0	318.373	2.489	10	5		DEBERN
CC(=O)c1cc(NC[C@H](CO)c2cccnc2)ccc1[N+](=O)[O-]	ZINC000340936851	403704946	/nfs/dbraw/zinc/70/49/46/403704946.db2.gz	JRVONQUFRUBPTF-CYBMUJFWSA-N	0	0	315.329	2.380	10	5		DEBERN
Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCN(CCO)[C@H](C)C1	ZINC000302803206	403728230	/nfs/dbraw/zinc/72/82/30/403728230.db2.gz	DJSBREBHIIDOKG-LLVKDONJSA-N	0	0	313.785	2.059	10	5		DEBERN
CO[C@H]1C[C@H](CO)N(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C1	ZINC000343778049	403729034	/nfs/dbraw/zinc/72/90/34/403729034.db2.gz	OQMZHBMDQSYYNQ-OLZOCXBDSA-N	0	0	324.377	2.358	10	5		DEBERN
O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000408008663	405089221	/nfs/dbraw/zinc/08/92/21/405089221.db2.gz	FWBMDBCPNXKQRI-BBRMVZONSA-N	0	0	306.362	2.427	10	5		DEBERN
CCc1nn(C)c(N2CCC[C@]3(CCCOC3)C2)c1[N+](=O)[O-]	ZINC000408076064	405106518	/nfs/dbraw/zinc/10/65/18/405106518.db2.gz	CLWVBRMSRMDNJS-HNNXBMFYSA-N	0	0	308.382	2.288	10	5		DEBERN
Cn1c2ccccc2n(CC(=O)c2cccc([N+](=O)[O-])c2)c1=N	ZINC000368022360	405217912	/nfs/dbraw/zinc/21/79/12/405217912.db2.gz	FGZDMKRIESNQHV-UHFFFAOYSA-N	0	0	310.313	2.250	10	5		DEBERN
NC(=O)c1ccc(Br)c(OC(F)F)c1[N+](=O)[O-]	ZINC000575682770	406818142	/nfs/dbraw/zinc/81/81/42/406818142.db2.gz	BMEJVFSGWQFSEO-UHFFFAOYSA-N	0	0	311.038	2.058	10	5		DEBERN
NC(=O)c1cc(OC(F)F)cc([N+](=O)[O-])c1Br	ZINC000575683407	406817785	/nfs/dbraw/zinc/81/77/85/406817785.db2.gz	PQDGGWIVCVZCPJ-UHFFFAOYSA-N	0	0	311.038	2.058	10	5		DEBERN
CCOC(=O)Cc1c(Br)cc(OC)cc1[N+](=O)[O-]	ZINC000575699783	406820603	/nfs/dbraw/zinc/82/06/03/406820603.db2.gz	NNHBKMZYCAVVFK-UHFFFAOYSA-N	0	0	318.123	2.472	10	5		DEBERN
CCOC(=O)C(C(=O)OCC)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000129508119	196053971	/nfs/dbraw/zinc/05/39/71/196053971.db2.gz	PMKKZVUTFRIIDN-UHFFFAOYSA-N	0	0	315.709	2.458	10	5		DEBERN
CN(CC(C)(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131207076	196149755	/nfs/dbraw/zinc/14/97/55/196149755.db2.gz	CQKMSYZPCZLEFD-UHFFFAOYSA-N	0	0	304.343	2.401	10	5		DEBERN
C[C@@H](CC1CC1)NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131230008	196152198	/nfs/dbraw/zinc/15/21/98/196152198.db2.gz	MJJCCIWJUWYEHF-QMMMGPOBSA-N	0	0	302.327	2.201	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N(CC2CC2)C2CC2)cc1F	ZINC000131237718	196152335	/nfs/dbraw/zinc/15/23/35/196152335.db2.gz	HBRLGKATRLHSHL-UHFFFAOYSA-N	0	0	314.338	2.297	10	5		DEBERN
CN(C(=O)c1ccnc(Cl)c1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1O	ZINC000131406784	196166161	/nfs/dbraw/zinc/16/61/61/196166161.db2.gz	QQUPSCADFKVJRJ-ZJUUUORDSA-N	0	0	313.741	2.019	10	5		DEBERN
CN(C1CCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1	ZINC000131774649	196197739	/nfs/dbraw/zinc/19/77/39/196197739.db2.gz	YWNCUHNHNYRADE-UHFFFAOYSA-N	0	0	313.379	2.130	10	5		DEBERN
CC[C@@H](C)[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(NC)c1	ZINC000132123105	196227636	/nfs/dbraw/zinc/22/76/36/196227636.db2.gz	IUKNLFSYEFUPMG-NXEZZACHSA-N	0	0	315.395	2.349	10	5		DEBERN
CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(NC)c1)C(C)C	ZINC000132139530	196229920	/nfs/dbraw/zinc/22/99/20/196229920.db2.gz	TWVICELJGLJSPK-LLVKDONJSA-N	0	0	315.395	2.349	10	5		DEBERN
CCCCC[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1	ZINC000132368293	196249459	/nfs/dbraw/zinc/24/94/59/196249459.db2.gz	OPBYEDQSGFJGSW-JTQLQIEISA-N	0	0	315.395	2.424	10	5		DEBERN
CCCNc1cc(S(=O)(=O)N[C@H]2C[C@H]2C)ccc1[N+](=O)[O-]	ZINC000132418069	196254227	/nfs/dbraw/zinc/25/42/27/196254227.db2.gz	HNKSYWFNQRSHAP-KOLCDFICSA-N	0	0	313.379	2.103	10	5		DEBERN
C[C@@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)[C@H]1CCCO1	ZINC000134038319	196355869	/nfs/dbraw/zinc/35/58/69/196355869.db2.gz	OHRGKIOGXGZDMJ-JMCQJSRRSA-N	0	0	300.261	2.170	10	5		DEBERN
O=[N+]([O-])c1cc(S(=O)(=O)NOC2CCCC2)ccc1Cl	ZINC000136972571	196559014	/nfs/dbraw/zinc/55/90/14/196559014.db2.gz	FGLCNDPGWOTRQQ-UHFFFAOYSA-N	0	0	320.754	2.401	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCS[C@H]3CCCC[C@H]32)n1	ZINC000191661985	225114908	/nfs/dbraw/zinc/11/49/08/225114908.db2.gz	MGIAPCLDSCKNTI-PWSUYJOCSA-N	0	0	324.406	2.311	10	5		DEBERN
COc1cc(CNc2ncc([N+](=O)[O-])s2)cc(OC)c1O	ZINC000195511257	225207519	/nfs/dbraw/zinc/20/75/19/225207519.db2.gz	LZACPIKPCXMOLT-UHFFFAOYSA-N	0	0	311.319	2.386	10	5		DEBERN
O=[N+]([O-])c1ccc(NCCc2cn[nH]c2)nc1-c1ccccc1	ZINC000357626918	424817954	/nfs/dbraw/zinc/81/79/54/424817954.db2.gz	LETGKWVGFLTQDD-UHFFFAOYSA-N	0	0	309.329	3.035	10	5		DEBERN
Cc1nnc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)s1	ZINC000195134623	424880720	/nfs/dbraw/zinc/88/07/20/424880720.db2.gz	IZTPNIOEQAJIML-UHFFFAOYSA-N	0	0	303.303	2.488	10	5		DEBERN
CSCC1CCC(Nc2ccc3ncc([N+](=O)[O-])n3n2)CC1	ZINC000450656754	425078355	/nfs/dbraw/zinc/07/83/55/425078355.db2.gz	WDSXXBHIZYWDFG-UHFFFAOYSA-N	0	0	321.406	2.971	10	5		DEBERN
O=[N+]([O-])c1cnc(NC[C@@H](CO)C2CC2)c(Br)c1	ZINC000357786035	269040385	/nfs/dbraw/zinc/04/03/85/269040385.db2.gz	STWQWGNZGHLMEV-QMMMGPOBSA-N	0	0	316.155	2.183	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCOCC[C@@H]1C	ZINC000376830647	277432136	/nfs/dbraw/zinc/43/21/36/277432136.db2.gz	ZFIXIGRTESGRLI-JTQLQIEISA-N	0	0	309.322	2.246	10	5		DEBERN
COc1n[nH]c(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)n1	ZINC000190395182	278086071	/nfs/dbraw/zinc/08/60/71/278086071.db2.gz	RDZLNCFORNWXKK-UHFFFAOYSA-N	0	0	305.294	2.097	10	5		DEBERN
NC(=O)[C@H]1Cc2ccccc2CN1Cc1csc([N+](=O)[O-])c1	ZINC000119778946	279593721	/nfs/dbraw/zinc/59/37/21/279593721.db2.gz	RGFRUUDSBCSFGD-CYBMUJFWSA-N	0	0	317.370	2.069	10	5		DEBERN
Cc1ccc2c(c1)[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@@H](C)C2	ZINC000181105088	281090727	/nfs/dbraw/zinc/09/07/27/281090727.db2.gz	SDTOTLIMCKLFKV-ZANVPECISA-N	0	0	300.318	2.290	10	5		DEBERN
Cc1cccc(CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])n1	ZINC000173650912	325736621	/nfs/dbraw/zinc/73/66/21/325736621.db2.gz	WCQRAIHMHJPSEW-UHFFFAOYSA-N	0	0	314.345	2.051	10	5		DEBERN
CC1(C)Oc2c(Br)cc([N+](=O)[O-])cc2NC1=O	ZINC000584626180	337375979	/nfs/dbraw/zinc/37/59/79/337375979.db2.gz	BZFLQOWBFIKFBL-UHFFFAOYSA-N	0	0	301.096	2.467	10	5		DEBERN
CSC[C@H](C)N(C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000301348149	533771431	/nfs/dbraw/zinc/77/14/31/533771431.db2.gz	UGSUYPWISWHDQD-VIFPVBQESA-N	0	0	318.420	2.186	10	5		DEBERN
COc1cc(OC)cc([C@@H](O)CNc2ccc([N+](=O)[O-])nc2)c1	ZINC000735669048	633527930	/nfs/dbraw/zinc/52/79/30/633527930.db2.gz	SZHKPYPIBZFFJE-AWEZNQCLSA-N	0	0	319.317	2.153	10	5		DEBERN
Cc1cc(C)n(CC(=O)OCc2ccc([N+](=O)[O-])cc2F)n1	ZINC000746941371	638389337	/nfs/dbraw/zinc/38/93/37/638389337.db2.gz	SGUMHTGKVQPMNE-UHFFFAOYSA-N	0	0	307.281	2.291	10	5		DEBERN
C/C(=C\C(=O)NCCSCCCO)c1ccc([N+](=O)[O-])cc1	ZINC000752558521	639197643	/nfs/dbraw/zinc/19/76/43/639197643.db2.gz	COWSVPWRFSMUPA-VAWYXSNFSA-N	0	0	324.402	2.230	10	5		DEBERN
COC(=O)c1cc(C)nc(NCc2cccc(F)n2)c1[N+](=O)[O-]	ZINC000804565165	645791284	/nfs/dbraw/zinc/79/12/84/645791284.db2.gz	AALUSIPNEMMYBT-UHFFFAOYSA-N	0	0	320.280	2.231	10	5		DEBERN
CC(=O)c1ccc([N+](=O)[O-])cc1NCc1cc(C(N)=O)co1	ZINC000808022561	646022150	/nfs/dbraw/zinc/02/21/50/646022150.db2.gz	LOCPOFUXTIWXPR-UHFFFAOYSA-N	0	0	303.274	2.101	10	5		DEBERN
Cc1noc(CCC(=O)OCCc2ccccc2[N+](=O)[O-])n1	ZINC000151236648	646306955	/nfs/dbraw/zinc/30/69/55/646306955.db2.gz	WOHBYYPLTXXWCC-UHFFFAOYSA-N	0	0	305.290	2.005	10	5		DEBERN
COC(=O)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000172781780	646750365	/nfs/dbraw/zinc/75/03/65/646750365.db2.gz	MTVXTESLXKGRDJ-UHFFFAOYSA-N	0	0	300.336	2.036	10	5		DEBERN
Cc1nn(C)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl	ZINC000172764743	646751402	/nfs/dbraw/zinc/75/14/02/646751402.db2.gz	HBFWYVQSNUSPRT-UHFFFAOYSA-N	0	0	308.725	2.471	10	5		DEBERN
COc1cc(OCC(=O)OCC(F)(F)F)ccc1[N+](=O)[O-]	ZINC000069172082	648542372	/nfs/dbraw/zinc/54/23/72/648542372.db2.gz	OFIDOCKRBYVXFF-UHFFFAOYSA-N	0	0	309.196	2.088	10	5		DEBERN
CN(Cc1ccc(Cl)nc1)C(=O)c1ccc(N)c([N+](=O)[O-])c1	ZINC000074292747	683930044	/nfs/dbraw/zinc/93/00/44/683930044.db2.gz	YTZABSLXPMQYRS-UHFFFAOYSA-N	0	0	320.736	2.498	10	5		DEBERN
C[C@@H](COc1ccccc1)OC(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000077941759	683958022	/nfs/dbraw/zinc/95/80/22/683958022.db2.gz	LVQBEIAKMWDXDV-LBPRGKRZSA-N	0	0	319.317	2.192	10	5		DEBERN
CN(C)c1ncc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cn1	ZINC000126107749	684151190	/nfs/dbraw/zinc/15/11/90/684151190.db2.gz	BPMPMWSZPZELHG-UHFFFAOYSA-N	0	0	321.724	2.357	10	5		DEBERN
COC(=O)[C@@H]1CCCN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C1	ZINC000130116413	684185769	/nfs/dbraw/zinc/18/57/69/684185769.db2.gz	UMPLMDIKUUPZMB-SNVBAGLBSA-N	0	0	324.308	2.068	10	5		DEBERN
O=C(OCCn1cnc([N+](=O)[O-])n1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	ZINC000245924065	685121033	/nfs/dbraw/zinc/12/10/33/685121033.db2.gz	PFWRSIVXKGSXEV-RWMBFGLXSA-N	0	0	322.365	2.336	10	5		DEBERN
NC(=O)C1CC(Nc2c(Br)cccc2[N+](=O)[O-])C1	ZINC000716775325	793007071	/nfs/dbraw/zinc/00/70/71/793007071.db2.gz	QDIGZEGDFMRQJH-UHFFFAOYSA-N	0	0	314.139	2.033	10	5		DEBERN
CC[C@@H](C[C@H](C)O)Nc1c(Br)cncc1[N+](=O)[O-]	ZINC000716940553	797645057	/nfs/dbraw/zinc/64/50/57/797645057.db2.gz	QYFMHOIGJBZMJN-YUMQZZPRSA-N	0	0	318.171	2.136	10	5		DEBERN
O=[N+]([O-])c1cc(F)c(Cl)cc1NCC[C@]1(O)CCOC1	ZINC000404220074	802008341	/nfs/dbraw/zinc/00/83/41/802008341.db2.gz	RZJCNZQLXQMBMG-LBPRGKRZSA-N	0	0	304.705	2.341	10	5		DEBERN
CC(C)(C)OC(=O)N1C[C@H](NCc2cccc([N+](=O)[O-])c2)CO1	ZINC000703311715	1086494196	/nfs/dbraw/zinc/49/41/96/1086494196.db2.gz	QGHKRZLTAHQDIH-LBPRGKRZSA-N	0	0	323.349	2.235	10	5		DEBERN
CO[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCSC1	ZINC000719328258	1088955367	/nfs/dbraw/zinc/95/53/67/1088955367.db2.gz	YYUCIEPORXCQPM-CYBMUJFWSA-N	0	0	300.355	2.346	10	5		DEBERN
C[C@@H]1[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)CCN1C	ZINC000719627429	1089319055	/nfs/dbraw/zinc/31/90/55/1089319055.db2.gz	VCOQGXOZJVTHDS-XCBNKYQSSA-N	0	0	315.171	2.257	10	5		DEBERN
Cc1cc(S(C)(=O)=O)ccc1NC(=O)c1ccc([N+](=O)[O-])o1	ZINC000074629482	185004436	/nfs/dbraw/zinc/00/44/36/185004436.db2.gz	QBQKTZOTVNVPHA-UHFFFAOYSA-N	0	0	324.314	2.152	10	5		DEBERN
O=[N+]([O-])c1cc(OC2CC2)cnc1I	ZINC000095735442	185383709	/nfs/dbraw/zinc/38/37/09/185383709.db2.gz	GNYPQGAXYBXZSI-UHFFFAOYSA-N	0	0	306.059	2.136	10	5		DEBERN
Cc1cc(C(=O)Cn2cc([N+](=O)[O-])cc(C)c2=O)ccc1F	ZINC000096778492	185387252	/nfs/dbraw/zinc/38/72/52/185387252.db2.gz	YZYQHMSBLCWWJK-UHFFFAOYSA-N	0	0	304.277	2.395	10	5		DEBERN
C[C@@H]1COC[C@H](C)N1C(=O)CCCNc1ccc([N+](=O)[O-])cc1	ZINC000077138686	185112137	/nfs/dbraw/zinc/11/21/37/185112137.db2.gz	CYKHBKHZGBVPNI-BETUJISGSA-N	0	0	321.377	2.423	10	5		DEBERN
COc1cc(C[S@@](=O)c2ccccc2N)cc([N+](=O)[O-])c1	ZINC000164422056	197653075	/nfs/dbraw/zinc/65/30/75/197653075.db2.gz	OHTBDCPXSOHJQF-NRFANRHFSA-N	0	0	306.343	2.493	10	5		DEBERN
CC[C@@H](NC(=O)CNCC(F)(F)F)c1cccc([N+](=O)[O-])c1	ZINC000177801055	282208219	/nfs/dbraw/zinc/20/82/19/282208219.db2.gz	KZKZJOUXTTWTMV-LLVKDONJSA-N	0	0	319.283	2.314	10	5		DEBERN
COC(=O)C[C@@H](C)[S@@](=O)Cc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000090101509	185282041	/nfs/dbraw/zinc/28/20/41/185282041.db2.gz	ZKGMYVZVZZZQSE-ZPWHCFADSA-N	0	0	319.766	2.449	10	5		DEBERN
COCc1cncc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1	ZINC000613172596	362026588	/nfs/dbraw/zinc/02/65/88/362026588.db2.gz	NUMYDFPBBTVSDM-UHFFFAOYSA-N	0	0	317.301	2.397	10	5		DEBERN
COC(=O)[C@H](C)C[S@@](=O)Cc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000090105168	185282576	/nfs/dbraw/zinc/28/25/76/185282576.db2.gz	UFRCVFYUTISMSM-SQFXPLBJSA-N	0	0	319.766	2.306	10	5		DEBERN
CNc1c(Cl)cc(C(=O)N(C)CC(C)(C)O)cc1[N+](=O)[O-]	ZINC000092985745	185350960	/nfs/dbraw/zinc/35/09/60/185350960.db2.gz	RJOPANCXNLCUEL-UHFFFAOYSA-N	0	0	315.757	2.133	10	5		DEBERN
Cc1nc(NC(=O)c2cn3ccnc3s2)ccc1[N+](=O)[O-]	ZINC000187994782	282295090	/nfs/dbraw/zinc/29/50/90/282295090.db2.gz	ZQGGEQNHFOJLFG-UHFFFAOYSA-N	0	0	303.303	2.260	10	5		DEBERN
CN(C)c1noc(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1	ZINC000302866442	529817624	/nfs/dbraw/zinc/81/76/24/529817624.db2.gz	YRWXLKHFRNWBJZ-UHFFFAOYSA-N	0	0	317.349	2.428	10	5		DEBERN
CN(C)c1ncccc1CNC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000193462951	282352571	/nfs/dbraw/zinc/35/25/71/282352571.db2.gz	OVFNQSXQXWKPGK-UHFFFAOYSA-N	0	0	315.333	2.378	10	5		DEBERN
C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1C	ZINC000245954818	282413815	/nfs/dbraw/zinc/41/38/15/282413815.db2.gz	TVRVQTSRQVVCJM-RKDXNWHRSA-N	0	0	304.393	2.323	10	5		DEBERN
CCOC(=O)c1csc(CCNc2cccnc2[N+](=O)[O-])n1	ZINC000615720097	362690551	/nfs/dbraw/zinc/69/05/51/362690551.db2.gz	QOIKNARSJRWRNR-UHFFFAOYSA-N	0	0	322.346	2.278	10	5		DEBERN
COC(=O)c1ccc(OC[C@H](O)CC(F)(F)F)cc1[N+](=O)[O-]	ZINC000615788271	362703177	/nfs/dbraw/zinc/70/31/77/362703177.db2.gz	YPMQCHFELHMYLB-SSDOTTSWSA-N	0	0	323.223	2.074	10	5		DEBERN
CNc1cc(C(=O)N2CCSC[C@H]2C)c([N+](=O)[O-])cc1F	ZINC000070224802	190874713	/nfs/dbraw/zinc/87/47/13/190874713.db2.gz	USXHLJASGSPGMB-MRVPVSSYSA-N	0	0	313.354	2.353	10	5		DEBERN
CCOC(=O)CCN(CC)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1	ZINC000071637926	190996342	/nfs/dbraw/zinc/99/63/42/190996342.db2.gz	BLRKUJXJAFNLQQ-JXMROGBWSA-N	0	0	320.345	2.410	10	5		DEBERN
CCOc1cccnc1C(=O)Nc1ccc([N+](=O)[O-])c(C)n1	ZINC000133699749	186008245	/nfs/dbraw/zinc/00/82/45/186008245.db2.gz	IBZVSJYTTDUQRH-UHFFFAOYSA-N	0	0	302.290	2.344	10	5		DEBERN
CC[C@@H](NC(=O)c1ccnc(Cl)c1[N+](=O)[O-])c1ncc[nH]1	ZINC000139422290	186022629	/nfs/dbraw/zinc/02/26/29/186022629.db2.gz	ZOZZOSVYCVNRAV-MRVPVSSYSA-N	0	0	309.713	2.247	10	5		DEBERN
O=C(Nc1ccncc1Br)c1cc([N+](=O)[O-])c[nH]1	ZINC000147682516	186041539	/nfs/dbraw/zinc/04/15/39/186041539.db2.gz	BERLGNIABMLRJE-UHFFFAOYSA-N	0	0	311.095	2.333	10	5		DEBERN
CCOc1nc(N)nc(Oc2cc([N+](=O)[O-])ccc2Cl)n1	ZINC000148609050	186044811	/nfs/dbraw/zinc/04/48/11/186044811.db2.gz	BBOPAWLEAFNRAD-UHFFFAOYSA-N	0	0	311.685	2.206	10	5		DEBERN
CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C1CCC1	ZINC000144252773	186035172	/nfs/dbraw/zinc/03/51/72/186035172.db2.gz	UZADYOHAGNKULM-UHFFFAOYSA-N	0	0	313.379	2.200	10	5		DEBERN
COc1cc(C[S@@](=O)c2cccc(N)c2)cc([N+](=O)[O-])c1	ZINC000150168541	186055315	/nfs/dbraw/zinc/05/53/15/186055315.db2.gz	FJTDOIMHWVLRRY-NRFANRHFSA-N	0	0	306.343	2.493	10	5		DEBERN
Cc1ccnc(N[C@H]2CCCN(c3cnn(C)c3)C2)c1[N+](=O)[O-]	ZINC000078368143	355257277	/nfs/dbraw/zinc/25/72/77/355257277.db2.gz	FGUMTSVWXOJUAS-LBPRGKRZSA-N	0	0	316.365	2.113	10	5		DEBERN
Cc1nc([N+](=O)[O-])cn1CCC(=O)NC/C=C/c1ccccc1	ZINC000112585049	355754133	/nfs/dbraw/zinc/75/41/33/355754133.db2.gz	JWBMWPFFCPTVTO-VMPITWQZSA-N	0	0	314.345	2.319	10	5		DEBERN
CC(=O)CC(=O)Nc1ccc(Br)cc1[N+](=O)[O-]	ZINC000005256976	181222918	/nfs/dbraw/zinc/22/29/18/181222918.db2.gz	NXCCIENLXBSVLU-UHFFFAOYSA-N	0	0	301.096	2.275	10	5		DEBERN
CC(C)c1nnc(CN(C)Cc2ccccc2[N+](=O)[O-])n1C	ZINC000195067762	356248516	/nfs/dbraw/zinc/24/85/16/356248516.db2.gz	GBOXAPZODWJONE-UHFFFAOYSA-N	0	0	303.366	2.479	10	5		DEBERN
CNc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](C)C(C)C)c1	ZINC000081112840	192227647	/nfs/dbraw/zinc/22/76/47/192227647.db2.gz	GWDMQZHEPTXNFB-JTQLQIEISA-N	0	0	315.395	2.207	10	5		DEBERN
C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(C)(C)C	ZINC000312511117	356412686	/nfs/dbraw/zinc/41/26/86/356412686.db2.gz	ARDSKDLODSIAJH-MRVPVSSYSA-N	0	0	304.343	2.447	10	5		DEBERN
COc1cc(I)c(OC)c([N+](=O)[O-])c1	ZINC000306898178	356406293	/nfs/dbraw/zinc/40/62/93/356406293.db2.gz	WHCNVXLXGWSPME-UHFFFAOYSA-N	0	0	309.059	2.217	10	5		DEBERN
C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000081452099	192269339	/nfs/dbraw/zinc/26/93/39/192269339.db2.gz	ZVHURQXDGMJSED-NSHDSACASA-N	0	0	322.361	2.326	10	5		DEBERN
CC(C)C[C@H](CO)N(C)C(=O)CCc1cccc([N+](=O)[O-])c1	ZINC000184622467	199742973	/nfs/dbraw/zinc/74/29/73/199742973.db2.gz	RTPTZDWZPODZMR-OAHLLOKOSA-N	0	0	308.378	2.393	10	5		DEBERN
Cc1noc([C@H]2CCN(c3nc(C)cc(C)c3[N+](=O)[O-])C2)n1	ZINC000585785929	357355683	/nfs/dbraw/zinc/35/56/83/357355683.db2.gz	HJXQPGWZUMOVOV-NSHDSACASA-N	0	0	303.322	2.292	10	5		DEBERN
O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1nc[nH]n1	ZINC000179743228	199074998	/nfs/dbraw/zinc/07/49/98/199074998.db2.gz	BKEIAGSCLVQMGL-GFCCVEGCSA-N	0	0	316.321	2.472	10	5		DEBERN
C/C=C/C[C@H](CO)NC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1	ZINC000187084524	200059056	/nfs/dbraw/zinc/05/90/56/200059056.db2.gz	WFIPMSCWXRZHKK-PHXYFEQXSA-N	0	0	304.346	2.441	10	5		DEBERN
COc1ccc(C(=O)N2CC[C@H](C)[C@@H](OC)C2)cc1[N+](=O)[O-]	ZINC000187969037	200184711	/nfs/dbraw/zinc/18/47/11/200184711.db2.gz	HDQVRULPTJPIFK-HZMBPMFUSA-N	0	0	308.334	2.100	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(C2CC2)CC1	ZINC000188853948	200312723	/nfs/dbraw/zinc/31/27/23/200312723.db2.gz	NHCYBLROOKHWCP-UHFFFAOYSA-N	0	0	304.350	2.215	10	5		DEBERN
CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2ccccc2[N+](=O)[O-])C1	ZINC000189317650	200381135	/nfs/dbraw/zinc/38/11/35/200381135.db2.gz	HERJJAJIZNWPGU-GXTWGEPZSA-N	0	0	318.333	2.248	10	5		DEBERN
C=C/C(C)=C/CC(=O)NCC(=O)c1ccc(OC)c([N+](=O)[O-])c1	ZINC000601737069	360128944	/nfs/dbraw/zinc/12/89/44/360128944.db2.gz	KMNSWXGXBYHTCX-VZUCSPMQSA-N	0	0	318.329	2.425	10	5		DEBERN
O=C(Nc1ncccn1)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1	ZINC000005949421	181299894	/nfs/dbraw/zinc/29/98/94/181299894.db2.gz	LIMQOABSSDHZHZ-UHFFFAOYSA-N	0	0	323.652	2.199	10	5		DEBERN
COc1cc(C(=O)N2CC[C@@H](C)[C@H](OC)C2)cc([N+](=O)[O-])c1C	ZINC000190781915	200585148	/nfs/dbraw/zinc/58/51/48/200585148.db2.gz	STXIJBYCUHTMAF-MEBBXXQBSA-N	0	0	322.361	2.409	10	5		DEBERN
O=C(CNc1ccccc1[N+](=O)[O-])Nc1ccc2nccn2c1	ZINC000609619451	361328984	/nfs/dbraw/zinc/32/89/84/361328984.db2.gz	UMANDWVBJHATSW-UHFFFAOYSA-N	0	0	311.301	2.293	10	5		DEBERN
O=C(c1ccnc(C2CC2)c1)N1CCc2ncc([N+](=O)[O-])cc2C1	ZINC000611984215	361718429	/nfs/dbraw/zinc/71/84/29/361718429.db2.gz	YBCFMQKTYBVNOB-UHFFFAOYSA-N	0	0	324.340	2.461	10	5		DEBERN
CN[C@]1(C(=O)OC)CC[C@@H](Sc2ccccc2[N+](=O)[O-])C1	ZINC000093848731	193318098	/nfs/dbraw/zinc/31/80/98/193318098.db2.gz	FTEQMBIVZCFAIE-QMTHXVAHSA-N	0	0	310.375	2.371	10	5		DEBERN
CCCC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1C	ZINC000094780620	193397822	/nfs/dbraw/zinc/39/78/22/193397822.db2.gz	AFFZPMNOWYJFME-JTQLQIEISA-N	0	0	315.395	2.342	10	5		DEBERN
CNC(=O)c1ccsc1NC(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000038828457	183010223	/nfs/dbraw/zinc/01/02/23/183010223.db2.gz	QHZTUMYTWBDGKH-UHFFFAOYSA-N	0	0	319.342	2.197	10	5		DEBERN
COCCNc1ncnc(Nc2cccc(C)c2)c1[N+](=O)[O-]	ZINC000040648492	183114274	/nfs/dbraw/zinc/11/42/74/183114274.db2.gz	PXAPKOBZDYRTIS-UHFFFAOYSA-N	0	0	303.322	2.495	10	5		DEBERN
CN(C)c1ncnc(Nc2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-]	ZINC000040608448	183108755	/nfs/dbraw/zinc/10/87/55/183108755.db2.gz	MPHPIGDNPQZOAX-UHFFFAOYSA-N	0	0	304.266	2.103	10	5		DEBERN
COC[C@@H](O)CN(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000042287562	183249604	/nfs/dbraw/zinc/24/96/04/183249604.db2.gz	ZGWXWLUUWHJJAE-VIFPVBQESA-N	0	0	308.256	2.057	10	5		DEBERN
Cn1cnnc1Sc1ncc(Br)cc1[N+](=O)[O-]	ZINC000042389401	183263084	/nfs/dbraw/zinc/26/30/84/183263084.db2.gz	DNMRJORXVDCHGI-UHFFFAOYSA-N	0	0	316.140	2.032	10	5		DEBERN
CCOC(=O)c1ncn(-c2cc([N+](=O)[O-])ccc2Cl)c1N	ZINC000044591457	183424591	/nfs/dbraw/zinc/42/45/91/183424591.db2.gz	HRNOFZNKJSXHKT-UHFFFAOYSA-N	0	0	310.697	2.193	10	5		DEBERN
C[C@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1C	ZINC000271058519	291689621	/nfs/dbraw/zinc/68/96/21/291689621.db2.gz	RWRMWMZDZAYKHF-VHSXEESVSA-N	0	0	316.354	2.401	10	5		DEBERN
CO[C@@H]1C[C@@H](CO)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1	ZINC000284663652	218121272	/nfs/dbraw/zinc/12/12/72/218121272.db2.gz	XZRHGWGXAWDYSM-VHSXEESVSA-N	0	0	320.267	2.200	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)Cc1csc(N)n1	ZINC000159776404	197363306	/nfs/dbraw/zinc/36/33/06/197363306.db2.gz	IBMOEVLHXOCKSP-UHFFFAOYSA-N	0	0	306.347	2.432	10	5		DEBERN
CCOc1cccc(N2CCC[C@@H](n3cncn3)C2)c1[N+](=O)[O-]	ZINC000273838927	211102621	/nfs/dbraw/zinc/10/26/21/211102621.db2.gz	HLIJFAMKABZANA-GFCCVEGCSA-N	0	0	317.349	2.427	10	5		DEBERN
Cc1nc2cc(N[C@H](C)C(=O)N(C)C)c([N+](=O)[O-])cc2s1	ZINC000049100024	183712883	/nfs/dbraw/zinc/71/28/83/183712883.db2.gz	VTMVTRLZXWOXFI-SSDOTTSWSA-N	0	0	308.363	2.402	10	5		DEBERN
CC[C@H]1COCCN1C(=O)c1cc(F)c(F)cc1[N+](=O)[O-]	ZINC000050037618	183768361	/nfs/dbraw/zinc/76/83/61/183768361.db2.gz	SQBRNAJEDOWDSQ-QMMMGPOBSA-N	0	0	300.261	2.124	10	5		DEBERN
CCNc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]1C	ZINC000050630938	183791196	/nfs/dbraw/zinc/79/11/96/183791196.db2.gz	GCBAVROMHRSAFS-JTQLQIEISA-N	0	0	313.379	2.200	10	5		DEBERN
CC[C@H](C)N(CC)S(=O)(=O)c1cc(NC)ccc1[N+](=O)[O-]	ZINC000050652348	183794595	/nfs/dbraw/zinc/79/45/95/183794595.db2.gz	ODLNXDXHWZLKCK-JTQLQIEISA-N	0	0	315.395	2.446	10	5		DEBERN
CCNc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](C)C1	ZINC000050669584	183796561	/nfs/dbraw/zinc/79/65/61/183796561.db2.gz	ALPXXVROGVZKAZ-JTQLQIEISA-N	0	0	313.379	2.057	10	5		DEBERN
CCC[C@@H](CC)NS(=O)(=O)c1ccc(NC)cc1[N+](=O)[O-]	ZINC000050661196	183796631	/nfs/dbraw/zinc/79/66/31/183796631.db2.gz	UQNCADSCZUEENK-SNVBAGLBSA-N	0	0	315.395	2.494	10	5		DEBERN
CCCCN(C)C(=O)c1cc(Cl)c(NN)c([N+](=O)[O-])c1	ZINC000051088872	183813749	/nfs/dbraw/zinc/81/37/49/183813749.db2.gz	BQOGIBOGRRFAHN-UHFFFAOYSA-N	0	0	300.746	2.406	10	5		DEBERN
CCCNc1ccc(S(=O)(=O)N[C@H]2C[C@H]2C)c([N+](=O)[O-])c1	ZINC000052302040	183857504	/nfs/dbraw/zinc/85/75/04/183857504.db2.gz	DHQRIUGZPBTPMY-KOLCDFICSA-N	0	0	313.379	2.103	10	5		DEBERN
CCOc1ccc(C(=O)N2CCC(CCO)CC2)cc1[N+](=O)[O-]	ZINC000534703506	284854135	/nfs/dbraw/zinc/85/41/35/284854135.db2.gz	AQIUHBWPHKAMDV-UHFFFAOYSA-N	0	0	322.361	2.228	10	5		DEBERN
O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1COc2ccccc21	ZINC000058728329	184127192	/nfs/dbraw/zinc/12/71/92/184127192.db2.gz	HTGUHLXGHGJDBD-CQSZACIVSA-N	0	0	314.297	2.224	10	5		DEBERN
COC(=O)[C@@H](N)CCOc1c(Cl)cc([N+](=O)[O-])cc1Cl	ZINC000062595560	184244544	/nfs/dbraw/zinc/24/45/44/184244544.db2.gz	XUOCNHIKTOLVLU-VIFPVBQESA-N	0	0	323.132	2.171	10	5		DEBERN
O=[N+]([O-])c1c(Cl)ncnc1N[C@@H](CO)Cc1ccccc1	ZINC000063221262	184279519	/nfs/dbraw/zinc/27/95/19/184279519.db2.gz	GTDUVHRJCNSJTD-SNVBAGLBSA-N	0	0	308.725	2.054	10	5		DEBERN
COc1cc(OC)cc(OCCNc2ccc([N+](=O)[O-])nc2)c1	ZINC000357164039	207397626	/nfs/dbraw/zinc/39/76/26/207397626.db2.gz	DTOCGMDUCRTPCN-UHFFFAOYSA-N	0	0	319.317	2.498	10	5		DEBERN
CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])C1	ZINC000537136684	284984163	/nfs/dbraw/zinc/98/41/63/284984163.db2.gz	USWXTTONNPCKDE-ZBEGNZNMSA-N	0	0	319.361	2.031	10	5		DEBERN
COC(=O)CN(C)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000158803113	197302789	/nfs/dbraw/zinc/30/27/89/197302789.db2.gz	SWBGEEGIXVVAJM-UHFFFAOYSA-N	0	0	321.102	2.106	10	5		DEBERN
CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC1CCC1	ZINC000157235027	197171699	/nfs/dbraw/zinc/17/16/99/197171699.db2.gz	BANOCUZMNXDJAV-UHFFFAOYSA-N	0	0	313.379	2.105	10	5		DEBERN
CC[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C1	ZINC000156585150	197125978	/nfs/dbraw/zinc/12/59/78/197125978.db2.gz	YDROLQVDHWUKEU-JTQLQIEISA-N	0	0	314.363	2.024	10	5		DEBERN
O=C(NCc1cscn1)c1c[nH]c2ccc([N+](=O)[O-])cc21	ZINC000156038013	197082673	/nfs/dbraw/zinc/08/26/73/197082673.db2.gz	ZJDBIRCWEUIOJY-UHFFFAOYSA-N	0	0	302.315	2.463	10	5		DEBERN
C[C@@H]1CC[C@@H](C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)O1	ZINC000155631564	197073550	/nfs/dbraw/zinc/07/35/50/197073550.db2.gz	KYALZEKCSOHJNJ-MFKMUULPSA-N	0	0	316.317	2.287	10	5		DEBERN
CCOC(=O)[C@@]1(C)CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1	ZINC000154898333	197003685	/nfs/dbraw/zinc/00/36/85/197003685.db2.gz	STYVFZRDHDGAAY-AWEZNQCLSA-N	0	0	323.305	2.283	10	5		DEBERN
CCOC(=O)[C@]1(C)CCN(c2ncc([N+](=O)[O-])cc2Cl)C1	ZINC000154895007	197003392	/nfs/dbraw/zinc/00/33/92/197003392.db2.gz	UJNVTRLFLGWOHF-CYBMUJFWSA-N	0	0	313.741	2.423	10	5		DEBERN
COc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c(C)n1	ZINC000154661888	196982761	/nfs/dbraw/zinc/98/27/61/196982761.db2.gz	UGUABNCNGYMPQI-UHFFFAOYSA-N	0	0	302.290	2.263	10	5		DEBERN
CC(C)(C)[C@@H](O)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000120386244	195155579	/nfs/dbraw/zinc/15/55/79/195155579.db2.gz	IZEQFUNZLXCZBE-NSHDSACASA-N	0	0	300.742	2.385	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])s1)N1CCC(c2cc[nH]n2)CC1	ZINC000125177747	195720366	/nfs/dbraw/zinc/72/03/66/195720366.db2.gz	KBZFFZWNIWTHFS-UHFFFAOYSA-N	0	0	306.347	2.399	10	5		DEBERN
COc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)n1	ZINC000128365412	195958038	/nfs/dbraw/zinc/95/80/38/195958038.db2.gz	ZINGOZKFNIYYTD-UHFFFAOYSA-N	0	0	301.302	2.237	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCc3nc(C(C)C)nn3C2)n1	ZINC000178214942	132533549	/nfs/dbraw/zinc/53/35/49/132533549.db2.gz	GTYZGQLTBKODIY-LLVKDONJSA-N	0	0	316.365	2.440	10	5		DEBERN
Cc1cc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2O)cc([N+](=O)[O-])c1	ZINC000178678087	132535483	/nfs/dbraw/zinc/53/54/83/132535483.db2.gz	OHMADAGOKAVBMW-HZPDHXFCSA-N	0	0	312.325	2.291	10	5		DEBERN
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](CO)C1CC1	ZINC000359775234	133144061	/nfs/dbraw/zinc/14/40/61/133144061.db2.gz	PUXATOUQPFVLRX-ZYHUDNBSSA-N	0	0	324.402	2.210	10	5		DEBERN
CC(C)[C@@H](C)NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000022881009	134656754	/nfs/dbraw/zinc/65/67/54/134656754.db2.gz	PRXHWIHPDKLFDW-CYBMUJFWSA-N	0	0	320.393	2.471	10	5		DEBERN
O=C(NCc1cccc([N+](=O)[O-])c1)c1ccnc2ccncc21	ZINC000548766816	285792993	/nfs/dbraw/zinc/79/29/93/285792993.db2.gz	XRTNGORAJYTCTH-UHFFFAOYSA-N	0	0	308.297	2.468	10	5		DEBERN
CC(C)(C)[C@H]1OCC[C@@H]1c1noc(Cn2ccc([N+](=O)[O-])n2)n1	ZINC000190390455	145041785	/nfs/dbraw/zinc/04/17/85/145041785.db2.gz	LIRHCZJPIVWMQX-CABZTGNLSA-N	0	0	321.337	2.141	10	5		DEBERN
CNC(=O)c1ccccc1OCCOc1cccc([N+](=O)[O-])c1	ZINC000192811431	145079559	/nfs/dbraw/zinc/07/95/59/145079559.db2.gz	IEXWYCOCMXJJEZ-UHFFFAOYSA-N	0	0	316.313	2.412	10	5		DEBERN
Cc1ccc(N2CCO[C@](C)(c3cnn(C)c3)C2)c([N+](=O)[O-])c1	ZINC000268394304	292135726	/nfs/dbraw/zinc/13/57/26/292135726.db2.gz	NHKFAJRJNOPOAH-INIZCTEOSA-N	0	0	316.361	2.389	10	5		DEBERN
Cc1nn(C)c(NCC[C@@H]2COc3ccccc3O2)c1[N+](=O)[O-]	ZINC000360783886	147383666	/nfs/dbraw/zinc/38/36/66/147383666.db2.gz	WVGSJFHXVXFUDP-LLVKDONJSA-N	0	0	318.333	2.279	10	5		DEBERN
CCOC(=O)c1ccnc(N2CC[C@@H](C)[C@H](OC)C2)c1[N+](=O)[O-]	ZINC000275976629	285969459	/nfs/dbraw/zinc/96/94/59/285969459.db2.gz	ICTIWPXTYQTYMJ-ZYHUDNBSSA-N	0	0	323.349	2.028	10	5		DEBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1C[C@H]1c1ccccc1	ZINC000110453459	401690837	/nfs/dbraw/zinc/69/08/37/401690837.db2.gz	PEABQRFJAGOIGY-KBPBESRZSA-N	0	0	314.345	2.020	10	5		DEBERN
CCC(C)(CC)NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1	ZINC000113294261	401775503	/nfs/dbraw/zinc/77/55/03/401775503.db2.gz	HAFNDGOJCNTLHO-UHFFFAOYSA-N	0	0	316.379	2.460	10	5		DEBERN
Cc1nccn1CCCCNC(=O)c1cc([N+](=O)[O-])cnc1C	ZINC000130452718	401832705	/nfs/dbraw/zinc/83/27/05/401832705.db2.gz	ZVOQNXVBOUZBIA-UHFFFAOYSA-N	0	0	317.349	2.013	10	5		DEBERN
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCC1(C)C	ZINC000077395003	401814152	/nfs/dbraw/zinc/81/41/52/401814152.db2.gz	ZOGQKMXZBCEPFZ-UHFFFAOYSA-N	0	0	314.363	2.167	10	5		DEBERN
Cc1cccc(C(=O)NCc2cccnc2N(C)C)c1[N+](=O)[O-]	ZINC000032685417	401881644	/nfs/dbraw/zinc/88/16/44/401881644.db2.gz	AWHPBPJJUFJHGJ-UHFFFAOYSA-N	0	0	314.345	2.294	10	5		DEBERN
CC[C@H](NC(=O)c1c[nH]c(=O)cc1C)c1cccc([N+](=O)[O-])c1	ZINC000133558098	401890490	/nfs/dbraw/zinc/89/04/90/401890490.db2.gz	IXYMYUALYDVWOW-AWEZNQCLSA-N	0	0	315.329	2.473	10	5		DEBERN
O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCN(C2CC2)CC1	ZINC000134699254	401911995	/nfs/dbraw/zinc/91/19/95/401911995.db2.gz	OAPQRBVBEMPRKF-UHFFFAOYSA-N	0	0	309.753	2.168	10	5		DEBERN
COc1cc(NC[C@@H](O)COCC(C)C)c([N+](=O)[O-])cc1F	ZINC000136432668	401968020	/nfs/dbraw/zinc/96/80/20/401968020.db2.gz	HTNJCALEDOHKGP-SNVBAGLBSA-N	0	0	316.329	2.188	10	5		DEBERN
CC(C)Oc1ccc(F)cc1NC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000136869715	401975128	/nfs/dbraw/zinc/97/51/28/401975128.db2.gz	QXQPGUDKHJAPBM-UHFFFAOYSA-N	0	0	308.269	2.497	10	5		DEBERN
Cn1c(CO)nnc1SCc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000119387048	401946447	/nfs/dbraw/zinc/94/64/47/401946447.db2.gz	HKIUSCPDFNGVTJ-UHFFFAOYSA-N	0	0	314.754	2.161	10	5		DEBERN
C[C@@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[C@H]1CCCO1	ZINC000050037531	402024285	/nfs/dbraw/zinc/02/42/85/402024285.db2.gz	BSWYOLRKUUHHQH-JMCQJSRRSA-N	0	0	300.261	2.170	10	5		DEBERN
CCCCOCCCNS(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000064241177	402118314	/nfs/dbraw/zinc/11/83/14/402118314.db2.gz	HZGRDZBIAZGCED-UHFFFAOYSA-N	0	0	322.408	2.141	10	5		DEBERN
CCOCCO[C@@H](C)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C	ZINC000103375155	402185697	/nfs/dbraw/zinc/18/56/97/402185697.db2.gz	PBUKAZXUWGCMCX-RYUDHWBXSA-N	0	0	322.361	2.314	10	5		DEBERN
Cc1ccc(C(=O)Nc2cnc(N(C)C)nc2)cc1[N+](=O)[O-]	ZINC000124752476	402195603	/nfs/dbraw/zinc/19/56/03/402195603.db2.gz	PXXJIUBTJKBLAD-UHFFFAOYSA-N	0	0	301.306	2.012	10	5		DEBERN
O=C1CC[C@@H](CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])N1	ZINC000070990922	402268542	/nfs/dbraw/zinc/26/85/42/402268542.db2.gz	SJODGWIAAUVPHQ-QMMMGPOBSA-N	0	0	303.240	2.304	10	5		DEBERN
CC(C)COC1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1	ZINC000176085816	402277114	/nfs/dbraw/zinc/27/71/14/402277114.db2.gz	LGZQWTIERJIKGD-UHFFFAOYSA-N	0	0	321.377	2.454	10	5		DEBERN
O=C(NCc1ccn(C2CCCC2)n1)c1ccc([N+](=O)[O-])o1	ZINC000156419240	402282197	/nfs/dbraw/zinc/28/21/97/402282197.db2.gz	GSAXFJAKZLGEAY-UHFFFAOYSA-N	0	0	304.306	2.429	10	5		DEBERN
O=[N+]([O-])c1cncc(Br)c1NCC1(CCO)CC1	ZINC000230936142	402352651	/nfs/dbraw/zinc/35/26/51/402352651.db2.gz	GYFMPOIETKPBGY-UHFFFAOYSA-N	0	0	316.155	2.327	10	5		DEBERN
Cc1cc(C[C@@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)[nH]n1	ZINC000161924215	402404160	/nfs/dbraw/zinc/40/41/60/402404160.db2.gz	QDJWCLPFTAHGOR-SSDOTTSWSA-N	0	0	308.363	2.357	10	5		DEBERN
COC(=O)[C@@]1(C)CCCN1CCOc1cccc([N+](=O)[O-])c1	ZINC000186383466	402427006	/nfs/dbraw/zinc/42/70/06/402427006.db2.gz	CKKQOGYBBHSIFD-OAHLLOKOSA-N	0	0	308.334	2.001	10	5		DEBERN
C[C@]1(C(N)=O)CCCCN1Cc1ccc([N+](=O)[O-])cc1Cl	ZINC000185953414	402392383	/nfs/dbraw/zinc/39/23/83/402392383.db2.gz	APOOSTDAXHXQAG-CQSZACIVSA-N	0	0	311.769	2.478	10	5		DEBERN
COc1ccccc1[C@H](O)CNc1nc(C)ccc1[N+](=O)[O-]	ZINC000178171267	402467612	/nfs/dbraw/zinc/46/76/12/402467612.db2.gz	XARCHRCLJADKOR-CYBMUJFWSA-N	0	0	303.318	2.452	10	5		DEBERN
C[C@@H]1[C@H](C)OCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000166174447	402482109	/nfs/dbraw/zinc/48/21/09/402482109.db2.gz	QBZHUSZWTNUZIB-ZJUUUORDSA-N	0	0	303.318	2.326	10	5		DEBERN
O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1Cc2ccccc2[C@H]1O	ZINC000178538649	402509025	/nfs/dbraw/zinc/50/90/25/402509025.db2.gz	BMDIMQBYVYLPGS-NKUAOLACSA-N	0	0	324.336	2.383	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(CO)c(F)c1	ZINC000170855164	402533267	/nfs/dbraw/zinc/53/32/67/402533267.db2.gz	AJVNCXLAZAEDQP-UHFFFAOYSA-N	0	0	318.304	2.465	10	5		DEBERN
C[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)N1CCCCC1=O	ZINC000190290915	402590666	/nfs/dbraw/zinc/59/06/66/402590666.db2.gz	DGZAKWDKXZJHGK-VIFPVBQESA-N	0	0	312.757	2.456	10	5		DEBERN
O=C(c1csc([N+](=O)[O-])c1)N1CCCC[C@H]1c1nc[nH]n1	ZINC000181375597	402643559	/nfs/dbraw/zinc/64/35/59/402643559.db2.gz	JGWGMDFMIAJWLF-VIFPVBQESA-N	0	0	307.335	2.142	10	5		DEBERN
Cc1ccc(C[C@@H](C)N(C)C(=O)Cn2cc([N+](=O)[O-])cn2)cc1	ZINC000172470768	402657865	/nfs/dbraw/zinc/65/78/65/402657865.db2.gz	VVMCMCLQQZCVLK-CYBMUJFWSA-N	0	0	316.361	2.189	10	5		DEBERN
Cc1c(C(=O)N2C[C@H]3CCC[C@@H](C2)C3O)cccc1[N+](=O)[O-]	ZINC000172358186	402652455	/nfs/dbraw/zinc/65/24/55/402652455.db2.gz	NEYOJEADLAQHBV-ODOQXGPZSA-N	0	0	304.346	2.136	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCCn1cccn1	ZINC000182624222	402704795	/nfs/dbraw/zinc/70/47/95/402704795.db2.gz	FDOGBYYVIGVHQD-SEYXRHQNSA-N	0	0	314.345	2.401	10	5		DEBERN
CC(C)CC[C@](C)(O)CNC(=O)CNc1ccccc1[N+](=O)[O-]	ZINC000175052613	402774978	/nfs/dbraw/zinc/77/49/78/402774978.db2.gz	VNMSQPLRNLLIQJ-INIZCTEOSA-N	0	0	323.393	2.310	10	5		DEBERN
CC1(CNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CCC1	ZINC000175097132	402779031	/nfs/dbraw/zinc/77/90/31/402779031.db2.gz	GVEFCZHLIPZXRP-UHFFFAOYSA-N	0	0	306.318	2.093	10	5		DEBERN
CC(C)[C@@H](C)CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1	ZINC000183711937	402790760	/nfs/dbraw/zinc/79/07/60/402790760.db2.gz	WLLRNXDNDHHXAX-LBPRGKRZSA-N	0	0	314.407	2.349	10	5		DEBERN
COC(=O)c1coc(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1	ZINC000184084580	402816636	/nfs/dbraw/zinc/81/66/36/402816636.db2.gz	IDBQABBUMRZVEH-VIFPVBQESA-N	0	0	318.285	2.465	10	5		DEBERN
COCc1nc2n(n1)CCC[C@H]2Nc1ccc(F)cc1[N+](=O)[O-]	ZINC000268411735	403080963	/nfs/dbraw/zinc/08/09/63/403080963.db2.gz	TYOJPUMOXCAIBJ-LLVKDONJSA-N	0	0	321.312	2.419	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC1([S@](C)=O)CC1	ZINC000281732677	403086312	/nfs/dbraw/zinc/08/63/12/403086312.db2.gz	HYCBXPBKBLGXQA-CRWWQRIJSA-N	0	0	322.386	2.025	10	5		DEBERN
CC[C@@H]1CN(c2nc(C)ccc2[N+](=O)[O-])CCN1CC(F)F	ZINC000270845858	403231029	/nfs/dbraw/zinc/23/10/29/403231029.db2.gz	XNRRESOWXGIFHU-LLVKDONJSA-N	0	0	314.336	2.464	10	5		DEBERN
CC(=O)c1cc(N2CC[C@@](O)(C(F)(F)F)C2)ccc1[N+](=O)[O-]	ZINC000287342823	403579083	/nfs/dbraw/zinc/57/90/83/403579083.db2.gz	OZIKUPMWUWBXMQ-LBPRGKRZSA-N	0	0	318.251	2.301	10	5		DEBERN
Cc1cc(N2CC(=O)N(C)C2)c(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000360055503	404813751	/nfs/dbraw/zinc/81/37/51/404813751.db2.gz	VNPHEWYNCIEBKK-UHFFFAOYSA-N	0	0	303.240	2.158	10	5		DEBERN
CNc1c(C(=O)Nc2nnc(C3CCC3)[nH]2)cccc1[N+](=O)[O-]	ZINC000360925660	404853897	/nfs/dbraw/zinc/85/38/97/404853897.db2.gz	PVCGAQOYPCQTEK-UHFFFAOYSA-N	0	0	316.321	2.274	10	5		DEBERN
C/C=C\C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)OCC	ZINC000361549483	405128050	/nfs/dbraw/zinc/12/80/50/405128050.db2.gz	KXMHUDPQGKSFGE-HSBHDXMMSA-N	0	0	320.345	2.151	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C(C)(C)C)[C@H](O)C1	ZINC000408134165	405119831	/nfs/dbraw/zinc/11/98/31/405119831.db2.gz	REIYCZZFYKDZLA-ZIAGYGMSSA-N	0	0	321.377	2.167	10	5		DEBERN
Cc1n[nH]c(C(=O)N2CCO[C@H](C3CCCCC3)C2)c1[N+](=O)[O-]	ZINC000408209238	405140279	/nfs/dbraw/zinc/14/02/79/405140279.db2.gz	ZJCNJTSSDNFHCE-LBPRGKRZSA-N	0	0	322.365	2.048	10	5		DEBERN
CCOc1ccc(C(=O)NC[C@H]2CC[C@H](C)O2)cc1[N+](=O)[O-]	ZINC000457463222	405852632	/nfs/dbraw/zinc/85/26/32/405852632.db2.gz	XQPDGBCONWTNMO-CMPLNLGQSA-N	0	0	308.334	2.291	10	5		DEBERN
O=[N+]([O-])c1ccc(N[C@H]2CCCN(CC(F)(F)F)C2)cn1	ZINC000450527283	405942449	/nfs/dbraw/zinc/94/24/49/405942449.db2.gz	KAMNDXYTYSJEGG-JTQLQIEISA-N	0	0	304.272	2.428	10	5		DEBERN
CO[C@H]1CC[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000451107392	406053813	/nfs/dbraw/zinc/05/38/13/406053813.db2.gz	IMUPFLZEWYOKMA-JSGCOSHPSA-N	0	0	320.345	2.241	10	5		DEBERN
CCOC(=O)c1[nH]c(C)nc1NC(=O)c1ccccc1[N+](=O)[O-]	ZINC000525351810	406486115	/nfs/dbraw/zinc/48/61/15/406486115.db2.gz	MAGKTUFVFRHPTP-UHFFFAOYSA-N	0	0	318.289	2.055	10	5		DEBERN
C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](C(=O)C2CC2)C1	ZINC000547842854	406453762	/nfs/dbraw/zinc/45/37/62/406453762.db2.gz	LLNDSWUYDKCRHG-XHDPSFHLSA-N	0	0	304.346	2.336	10	5		DEBERN
COC(=O)Cc1cc(Br)c([N+](=O)[O-])cc1OC	ZINC000575713079	406822067	/nfs/dbraw/zinc/82/20/67/406822067.db2.gz	UPYSAYJHLKFHFK-UHFFFAOYSA-N	0	0	304.096	2.081	10	5		DEBERN
COC(=O)c1cc(C)c(I)cc1[N+](=O)[O-]	ZINC000575714060	406822200	/nfs/dbraw/zinc/82/22/00/406822200.db2.gz	CKOWQAOKPWTYLC-UHFFFAOYSA-N	0	0	321.070	2.294	10	5		DEBERN
Cn1c(CO)cnc1Sc1cc(F)cc(F)c1[N+](=O)[O-]	ZINC000129353185	196041235	/nfs/dbraw/zinc/04/12/35/196041235.db2.gz	FBNWOTIAUWNUEB-UHFFFAOYSA-N	0	0	301.274	2.250	10	5		DEBERN
CC[C@H](NC(=O)CCn1cc([N+](=O)[O-])nc1C)c1nccs1	ZINC000130787724	196110369	/nfs/dbraw/zinc/11/03/69/196110369.db2.gz	ZRAQXMXIWTVSQW-JTQLQIEISA-N	0	0	323.378	2.214	10	5		DEBERN
CCN(C1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1	ZINC000131938644	196211731	/nfs/dbraw/zinc/21/17/31/196211731.db2.gz	CNSSVUDFFSPCCW-UHFFFAOYSA-N	0	0	313.379	2.130	10	5		DEBERN
C[C@@H](CCO)NC(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1	ZINC000132859788	196290570	/nfs/dbraw/zinc/29/05/70/196290570.db2.gz	BNYILKXHNRRDOO-LURJTMIESA-N	0	0	307.133	2.402	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1c2c(nn1C)CCC2	ZINC000299713482	229354589	/nfs/dbraw/zinc/35/45/89/229354589.db2.gz	UXZSIQIJCUMILV-UHFFFAOYSA-N	0	0	300.318	2.378	10	5		DEBERN
CC(=O)c1ccc(NCCc2csc(N)n2)c([N+](=O)[O-])c1	ZINC000346123075	425001273	/nfs/dbraw/zinc/00/12/73/425001273.db2.gz	PLVHZEJMTKNQLY-UHFFFAOYSA-N	0	0	306.347	2.491	10	5		DEBERN
CC[C@@H]1CN(c2ncc(C)cc2[N+](=O)[O-])CCN1CC(F)F	ZINC000270750566	268691739	/nfs/dbraw/zinc/69/17/39/268691739.db2.gz	AJKNTTUKPXJXEA-LLVKDONJSA-N	0	0	314.336	2.464	10	5		DEBERN
C[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CC[S@](=O)C1	ZINC000292088984	277914078	/nfs/dbraw/zinc/91/40/78/277914078.db2.gz	YNBYKZNUCLTWAY-XFNZEKPQSA-N	0	0	319.386	2.348	10	5		DEBERN
CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000179455266	278974232	/nfs/dbraw/zinc/97/42/32/278974232.db2.gz	ACUIUVJVIXMXGI-NSHDSACASA-N	0	0	309.366	2.007	10	5		DEBERN
O=[N+]([O-])c1cnc2ccccc2c1N1CCCC2(C1)OCCO2	ZINC000291771390	280382924	/nfs/dbraw/zinc/38/29/24/280382924.db2.gz	BSYVXHDXCFQXGX-UHFFFAOYSA-N	0	0	315.329	2.486	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCS(=O)(=O)[C@@H](C)C1	ZINC000245529087	281021341	/nfs/dbraw/zinc/02/13/41/281021341.db2.gz	QXNNVVKQQATNNO-RYUDHWBXSA-N	0	0	312.391	2.083	10	5		DEBERN
CCC[C@@](C)(CO)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21	ZINC000135447194	282072475	/nfs/dbraw/zinc/07/24/75/282072475.db2.gz	BFOVKMOHKOAGRA-HNNXBMFYSA-N	0	0	305.334	2.357	10	5		DEBERN
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCS[C@@H](C)C1	ZINC000171712036	302044458	/nfs/dbraw/zinc/04/44/58/302044458.db2.gz	YTUHMBPYSZWHNJ-JTQLQIEISA-N	0	0	316.404	2.029	10	5		DEBERN
Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H]1[C@@H]1CCCC[C@@]1(C)O	ZINC000408034285	303020178	/nfs/dbraw/zinc/02/01/78/303020178.db2.gz	DNEWGUMLPUBGGK-YWPYICTPSA-N	0	0	308.382	2.238	10	5		DEBERN
CN(C[C@@H]1CCCO1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000126608728	523047055	/nfs/dbraw/zinc/04/70/55/523047055.db2.gz	TVBGHFUNDJYTRX-ZDUSSCGKSA-N	0	0	317.345	2.256	10	5		DEBERN
CC(=O)c1ccsc1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1	ZINC000410900605	527405910	/nfs/dbraw/zinc/40/59/10/527405910.db2.gz	RULJPGGDEOXWKK-UHFFFAOYSA-N	0	0	322.346	2.429	10	5		DEBERN
CC(=O)c1ccsc1NC(=O)CCn1cc([N+](=O)[O-])nc1C	ZINC000297946804	527406205	/nfs/dbraw/zinc/40/62/05/527406205.db2.gz	UCXZQOLBDJSUOF-UHFFFAOYSA-N	0	0	322.346	2.393	10	5		DEBERN
CCNC(=O)C1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1	ZINC000302051138	528051697	/nfs/dbraw/zinc/05/16/97/528051697.db2.gz	XLNQVEJEFPFUJE-UHFFFAOYSA-N	0	0	318.160	2.474	10	5		DEBERN
CC[C@@H](c1ccncc1)N(C)C(=O)c1nn(CC)cc1[N+](=O)[O-]	ZINC000191626679	529259437	/nfs/dbraw/zinc/25/94/37/529259437.db2.gz	ZMTOLRTUCCVPTO-LBPRGKRZSA-N	0	0	317.349	2.430	10	5		DEBERN
C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1nccc1[N+](=O)[O-]	ZINC000123533467	625581115	/nfs/dbraw/zinc/58/11/15/625581115.db2.gz	DCOQFBMIHLSNBV-VIFPVBQESA-N	0	0	303.278	2.108	10	5		DEBERN
Cc1cc(F)cc(C(=O)N2CCN3CCCC[C@@H]3C2)c1[N+](=O)[O-]	ZINC000177028662	625607261	/nfs/dbraw/zinc/60/72/61/625607261.db2.gz	DWVSEVRKLLTYCK-CYBMUJFWSA-N	0	0	321.352	2.353	10	5		DEBERN
Cc1cc(NC(=O)CN(C)Cc2cc(F)ccc2[N+](=O)[O-])no1	ZINC000051593653	624867877	/nfs/dbraw/zinc/86/78/77/624867877.db2.gz	WTVMUPYPSUFKJK-UHFFFAOYSA-N	0	0	322.296	2.101	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](O)c1ccccc1	ZINC000066290314	625078673	/nfs/dbraw/zinc/07/86/73/625078673.db2.gz	XTSHSTMXMBDRNZ-HNNXBMFYSA-N	0	0	300.314	2.367	10	5		DEBERN
C[C@H](Cc1ccccc1)C(=O)OCCn1cc([N+](=O)[O-])cn1	ZINC000177787950	625091935	/nfs/dbraw/zinc/09/19/35/625091935.db2.gz	COGARFNGTPKGAL-GFCCVEGCSA-N	0	0	303.318	2.213	10	5		DEBERN
O=C1CC[C@@H](CNc2cccc(Br)c2[N+](=O)[O-])N1	ZINC000311017176	625222571	/nfs/dbraw/zinc/22/25/71/625222571.db2.gz	BKAIFVWWVOICFD-ZETCQYMHSA-N	0	0	314.139	2.048	10	5		DEBERN
CC(=O)N1CCC(C(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])CC1	ZINC000749053885	638612316	/nfs/dbraw/zinc/61/23/16/638612316.db2.gz	FHYGXPPSOADWEN-LLVKDONJSA-N	0	0	320.345	2.458	10	5		DEBERN
C/C(=C/C(=O)NCc1nonc1C)c1ccc([N+](=O)[O-])cc1	ZINC000752407203	639181701	/nfs/dbraw/zinc/18/17/01/639181701.db2.gz	HTASAOHIDLYJGF-CLFYSBASSA-N	0	0	302.290	2.006	10	5		DEBERN
C[C@H]1CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ncc1Br	ZINC000310936595	640422748	/nfs/dbraw/zinc/42/27/48/640422748.db2.gz	MWCWXYFAGDITEL-IMTBSYHQSA-N	0	0	314.139	2.281	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1OC(=O)Cc1ccc(F)cn1	ZINC000805854202	643547499	/nfs/dbraw/zinc/54/74/99/643547499.db2.gz	UPWRIKOCTXHMOY-UHFFFAOYSA-N	0	0	306.249	2.286	10	5		DEBERN
COc1ccc(OC(=O)Cc2ccc(F)cn2)c([N+](=O)[O-])c1	ZINC000805857003	643556440	/nfs/dbraw/zinc/55/64/40/643556440.db2.gz	JPHGPMHCCHVHSJ-UHFFFAOYSA-N	0	0	306.249	2.286	10	5		DEBERN
CC(=O)CCC(=O)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1	ZINC000800407374	645268079	/nfs/dbraw/zinc/26/80/79/645268079.db2.gz	CELVVCQPCMMDKM-GFCCVEGCSA-N	0	0	324.308	2.225	10	5		DEBERN
CCOc1cc(CN2CCO[C@@H](C(F)F)C2)ccc1[N+](=O)[O-]	ZINC000801565942	645417047	/nfs/dbraw/zinc/41/70/47/645417047.db2.gz	IDQYAXYUSBGISR-CYBMUJFWSA-N	0	0	316.304	2.459	10	5		DEBERN
COc1cc(CN2CCO[C@@H](C(F)F)C2)c([N+](=O)[O-])cc1F	ZINC000801568367	645418259	/nfs/dbraw/zinc/41/82/59/645418259.db2.gz	ZLOWQXZFQICYEJ-GFCCVEGCSA-N	0	0	320.267	2.208	10	5		DEBERN
CCCn1cc(Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])cn1	ZINC000804510600	645784556	/nfs/dbraw/zinc/78/45/56/645784556.db2.gz	KKVMAEBKGIJIAR-UHFFFAOYSA-N	0	0	319.321	2.435	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NCCc1ccc(Cl)nc1	ZINC000150885036	646144221	/nfs/dbraw/zinc/14/42/21/646144221.db2.gz	MDLNNAYXQLFXPE-UHFFFAOYSA-N	0	0	320.736	2.319	10	5		DEBERN
CCc1n[nH]c(C(=O)N2CCC[C@@H]2C(F)(F)F)c1[N+](=O)[O-]	ZINC000913022413	646247132	/nfs/dbraw/zinc/24/71/32/646247132.db2.gz	ZYYKRYVSLABJHX-SSDOTTSWSA-N	0	0	306.244	2.047	10	5		DEBERN
Cc1cc(NC(=O)CN2c3ccc([N+](=O)[O-])cc3C[C@H]2C)on1	ZINC000076940823	683948138	/nfs/dbraw/zinc/94/81/38/683948138.db2.gz	XIIFOVQWZHVZOP-SNVBAGLBSA-N	0	0	316.317	2.281	10	5		DEBERN
COc1ccccc1[C@H](O)CNC(=O)c1ccc([N+](=O)[O-])s1	ZINC000193226074	685035944	/nfs/dbraw/zinc/03/59/44/685035944.db2.gz	AQPPSSUXSKTFOB-SNVBAGLBSA-N	0	0	322.342	2.128	10	5		DEBERN
CC(C)CCOCCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	ZINC000194562646	685070539	/nfs/dbraw/zinc/07/05/39/685070539.db2.gz	ZTKPNVXZZGSOTO-UHFFFAOYSA-N	0	0	323.349	2.400	10	5		DEBERN
C/C(=C\c1ccc(C)cc1)C(=O)OCCn1cnc([N+](=O)[O-])n1	ZINC000588402102	777071716	/nfs/dbraw/zinc/07/17/16/777071716.db2.gz	ZBOFAFQBKDKGFT-FMIVXFBMSA-N	0	0	316.317	2.141	10	5		DEBERN
COC(=O)CC(C)(C)NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1	ZINC000588439452	777195262	/nfs/dbraw/zinc/19/52/62/777195262.db2.gz	LJDBYUCJNVHTOB-LUAWRHEFSA-N	0	0	320.345	2.456	10	5		DEBERN
Cn1c(C(=O)N[C@H]2Cc3ccc(Cl)cc3C2)ccc1[N+](=O)[O-]	ZINC000800084986	799307973	/nfs/dbraw/zinc/30/79/73/799307973.db2.gz	GMWCWQDNZDHBJR-LBPRGKRZSA-N	0	0	319.748	2.484	10	5		DEBERN
O=[N+]([O-])c1cc(Br)ccc1CNCc1ncc[nH]1	ZINC000162773433	800222801	/nfs/dbraw/zinc/22/28/01/800222801.db2.gz	PKHSGWCXAMJDRD-UHFFFAOYSA-N	0	0	311.139	2.370	10	5		DEBERN
C[C@H]1[C@H](Nc2ncc([N+](=O)[O-])cc2Br)CCN1C	ZINC000719627426	1089319995	/nfs/dbraw/zinc/31/99/95/1089319995.db2.gz	VCOQGXOZJVTHDS-OIBJUYFYSA-N	0	0	315.171	2.257	10	5		DEBERN
O=[N+]([O-])c1ccc(OCCN2CCOCC2)c2ccccc21	ZINC000095829862	185384056	/nfs/dbraw/zinc/38/40/56/185384056.db2.gz	SLDQQCNHUZDIKB-UHFFFAOYSA-N	0	0	302.330	2.459	10	5		DEBERN
C[C@H]1COC[C@H](C)N1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000077138339	185111916	/nfs/dbraw/zinc/11/19/16/185111916.db2.gz	JRFMRGDYWHQSAK-UWVGGRQHSA-N	0	0	303.318	2.326	10	5		DEBERN
C[C@H](O)C1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1	ZINC000083171678	185215726	/nfs/dbraw/zinc/21/57/26/185215726.db2.gz	GYBBVLATESIIFN-JTQLQIEISA-N	0	0	305.334	2.329	10	5		DEBERN
COC(=O)[C@H](C)Nc1cc(Br)ccc1[N+](=O)[O-]	ZINC000087834161	185232867	/nfs/dbraw/zinc/23/28/67/185232867.db2.gz	JEKMBGMXBPATDO-LURJTMIESA-N	0	0	303.112	2.331	10	5		DEBERN
CC[C@H](NC(=O)c1nn(CC)cc1[N+](=O)[O-])c1c(C)noc1C	ZINC000191689340	529581844	/nfs/dbraw/zinc/58/18/44/529581844.db2.gz	PEBRHUNOOQSEQI-JTQLQIEISA-N	0	0	321.337	2.297	10	5		DEBERN
Cc1ccc([C@H](C)NC(=O)NC[C@H](O)C(C)C)cc1[N+](=O)[O-]	ZINC000176749104	282200703	/nfs/dbraw/zinc/20/07/03/282200703.db2.gz	IMPOQVGVUNQFBV-FZMZJTMJSA-N	0	0	309.366	2.280	10	5		DEBERN
CCCC(=O)NCC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1	ZINC000177812775	282208722	/nfs/dbraw/zinc/20/87/22/282208722.db2.gz	HSNVRHCERBQPHF-CYBMUJFWSA-N	0	0	307.350	2.078	10	5		DEBERN
O=[N+]([O-])c1cccc(Cl)c1Cn1ncnc1CNC1CC1	ZINC000088629121	185260437	/nfs/dbraw/zinc/26/04/37/185260437.db2.gz	ZTMHXDSMQSLAEQ-UHFFFAOYSA-N	0	0	307.741	2.140	10	5		DEBERN
CCC[C@@H](N[C@@H]1C=CS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1	ZINC000088854537	185267297	/nfs/dbraw/zinc/26/72/97/185267297.db2.gz	IWCWTBDZKYJQMG-TZMCWYRMSA-N	0	0	310.375	2.336	10	5		DEBERN
CCCn1nc(C)c([N+](=O)[O-])c1SC[C@H](C)C(=O)OC	ZINC000090104227	185282483	/nfs/dbraw/zinc/28/24/83/185282483.db2.gz	RRXNVSDFRZOXJK-QMMMGPOBSA-N	0	0	301.368	2.411	10	5		DEBERN
COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)c2nccs2)n1	ZINC000166783877	197698929	/nfs/dbraw/zinc/69/89/29/197698929.db2.gz	CXIYYUPLQBTWSD-SSDOTTSWSA-N	0	0	308.319	2.406	10	5		DEBERN
CCNc1cc(S(=O)(=O)NC2(C)CCC2)ccc1[N+](=O)[O-]	ZINC000168364701	197721512	/nfs/dbraw/zinc/72/15/12/197721512.db2.gz	RJYJKHDHVJJBEM-UHFFFAOYSA-N	0	0	313.379	2.248	10	5		DEBERN
CC(C)(C)c1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1[N+](=O)[O-]	ZINC000097099532	185409448	/nfs/dbraw/zinc/40/94/48/185409448.db2.gz	KKDHCXJIPYFAFN-SSDOTTSWSA-N	0	0	321.786	2.102	10	5		DEBERN
CC(C)[C@@H]1C[C@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1	ZINC000188450260	282300995	/nfs/dbraw/zinc/30/09/95/282300995.db2.gz	ZHQMYVDAFBUGEP-LSDHHAIUSA-N	0	0	304.346	2.477	10	5		DEBERN
CCC(C)(C)N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NC	ZINC000070079757	190857304	/nfs/dbraw/zinc/85/73/04/190857304.db2.gz	OZFLSGGCYUJNDQ-UHFFFAOYSA-N	0	0	315.395	2.446	10	5		DEBERN
CC(C)C[C@@H](C)N(C)S(=O)(=O)c1cccc(N)c1[N+](=O)[O-]	ZINC000126972179	185908507	/nfs/dbraw/zinc/90/85/07/185908507.db2.gz	KNSYYSPLYREWBZ-SNVBAGLBSA-N	0	0	315.395	2.232	10	5		DEBERN
CC[C@H](NC(=O)c1ccnc(Cl)c1[N+](=O)[O-])c1ncc[nH]1	ZINC000139422199	186022341	/nfs/dbraw/zinc/02/23/41/186022341.db2.gz	ZOZZOSVYCVNRAV-QMMMGPOBSA-N	0	0	309.713	2.247	10	5		DEBERN
O=[N+]([O-])c1cc(Br)c(F)cc1NC1(CO)CC1	ZINC000143085854	186033534	/nfs/dbraw/zinc/03/35/34/186033534.db2.gz	WXZSISWODUEMEC-UHFFFAOYSA-N	0	0	305.103	2.433	10	5		DEBERN
CCc1ccc(C(=O)N2[C@@H](C)CN(C)C[C@@H]2C)cc1[N+](=O)[O-]	ZINC000155708393	186104812	/nfs/dbraw/zinc/10/48/12/186104812.db2.gz	LAVKZBDVKLOWGX-RYUDHWBXSA-N	0	0	305.378	2.322	10	5		DEBERN
CO[C@H](C)c1nc(Cn2cc([N+](=O)[O-])cc(C)c2=O)cs1	ZINC000155810184	186114687	/nfs/dbraw/zinc/11/46/87/186114687.db2.gz	PFCGABYQBPMDJV-SECBINFHSA-N	0	0	309.347	2.277	10	5		DEBERN
COc1ccc(Cl)c(Nc2[nH]cnc(=NN)c2[N+](=O)[O-])c1	ZINC000159752607	186139912	/nfs/dbraw/zinc/13/99/12/186139912.db2.gz	IISOUXLDHRPAKZ-UHFFFAOYSA-N	0	0	310.701	2.076	10	5		DEBERN
Cc1nc(C[C@@H]2CCCN(c3ncc([N+](=O)[O-])s3)C2)no1	ZINC000189979275	186258442	/nfs/dbraw/zinc/25/84/42/186258442.db2.gz	NVGGWVQCJCCQAC-VIFPVBQESA-N	0	0	309.351	2.202	10	5		DEBERN
CCn1cnnc1[C@@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1	ZINC000189989478	186259562	/nfs/dbraw/zinc/25/95/62/186259562.db2.gz	SMNPANWOFNBNSN-SECBINFHSA-N	0	0	308.367	2.047	10	5		DEBERN
CN(C)C(=O)[C@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1Cl	ZINC000172174390	198052992	/nfs/dbraw/zinc/05/29/92/198052992.db2.gz	NOOZQFWSHZAYDP-CYBMUJFWSA-N	0	0	311.769	2.301	10	5		DEBERN
Cc1cnc(N[C@@H]2CCCN(c3ncccn3)C2)c([N+](=O)[O-])c1	ZINC000172807603	198151838	/nfs/dbraw/zinc/15/18/38/198151838.db2.gz	CQUVBYMWNNMCIS-GFCCVEGCSA-N	0	0	314.349	2.169	10	5		DEBERN
Cc1ccc(NC(=O)C(=O)N2C[C@@H](C)CC[C@H]2C)cc1[N+](=O)[O-]	ZINC000173838182	198259356	/nfs/dbraw/zinc/25/93/56/198259356.db2.gz	HOYHTKHSZAJFPN-CMPLNLGQSA-N	0	0	319.361	2.489	10	5		DEBERN
Cc1cc(NC(=O)[C@H]2CCCN2C(=O)C(C)C)ccc1[N+](=O)[O-]	ZINC000182414912	199435602	/nfs/dbraw/zinc/43/56/02/199435602.db2.gz	MXGAAOOLZQEGJG-CQSZACIVSA-N	0	0	319.361	2.489	10	5		DEBERN
COC(=O)CCCCCNC(=O)NCc1cccc([N+](=O)[O-])c1	ZINC000067724393	354776128	/nfs/dbraw/zinc/77/61/28/354776128.db2.gz	NHQCZNTZRJDFSD-UHFFFAOYSA-N	0	0	323.349	2.127	10	5		DEBERN
COc1cc(F)c([N+](=O)[O-])c(N2CC[C@](O)(C(F)(F)F)C2)c1	ZINC000080647556	355377279	/nfs/dbraw/zinc/37/72/79/355377279.db2.gz	YWCOWMGUMRVEBF-LLVKDONJSA-N	0	0	324.230	2.246	10	5		DEBERN
CNS(=O)(=O)c1ccc(N[C@H](C)C(C)(C)C)c([N+](=O)[O-])c1	ZINC000085705379	355495112	/nfs/dbraw/zinc/49/51/12/355495112.db2.gz	ZGLXSPMAPAMXJV-SECBINFHSA-N	0	0	315.395	2.349	10	5		DEBERN
CCc1nn(C)c(NC[C@@H]2COc3ccccc3O2)c1[N+](=O)[O-]	ZINC000094131523	355693878	/nfs/dbraw/zinc/69/38/78/355693878.db2.gz	UGHBLQJQCJQHMV-SNVBAGLBSA-N	0	0	318.333	2.143	10	5		DEBERN
O=[N+]([O-])c1ccnc2c1ccn2S(=O)(=O)c1ccccc1	ZINC000096321144	355699193	/nfs/dbraw/zinc/69/91/93/355699193.db2.gz	ITDHIOPIUNVEAA-UHFFFAOYSA-N	0	0	303.299	2.182	10	5		DEBERN
Cc1ccc(NC(=O)C(=O)N[C@H](C)C(C)(C)C)cc1[N+](=O)[O-]	ZINC000122951017	355802976	/nfs/dbraw/zinc/80/29/76/355802976.db2.gz	ZUFQXHXBERRFIR-SNVBAGLBSA-N	0	0	307.350	2.393	10	5		DEBERN
CC(C)(C)[C@@H](O)CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-]	ZINC000078670289	191907708	/nfs/dbraw/zinc/90/77/08/191907708.db2.gz	FSUKELHUXXBNEJ-AWEZNQCLSA-N	0	0	321.377	2.306	10	5		DEBERN
NS(=O)(=O)CCCCCOc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000078770172	191928910	/nfs/dbraw/zinc/92/89/10/191928910.db2.gz	OPVHIMBKBRTXKN-UHFFFAOYSA-N	0	0	322.770	2.086	10	5		DEBERN
CO[C@H](C)c1cccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c1	ZINC000170730387	355992494	/nfs/dbraw/zinc/99/24/94/355992494.db2.gz	NZBKAJLDCHYSEZ-SNVBAGLBSA-N	0	0	304.306	2.137	10	5		DEBERN
O=C(NCc1ccc(CO)c(F)c1)c1cccc([N+](=O)[O-])c1	ZINC000194215734	356236466	/nfs/dbraw/zinc/23/64/66/356236466.db2.gz	GYXHKSZQPIJXCQ-UHFFFAOYSA-N	0	0	304.277	2.156	10	5		DEBERN
Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000081163455	192231908	/nfs/dbraw/zinc/23/19/08/192231908.db2.gz	JIGADNGKNDBQNM-LBPRGKRZSA-N	0	0	316.321	2.151	10	5		DEBERN
CNc1c(Cl)cc(C(=O)N[C@H](C)CCOC)cc1[N+](=O)[O-]	ZINC000081735549	192319000	/nfs/dbraw/zinc/31/90/00/192319000.db2.gz	BDVGSWYLLJBMMZ-MRVPVSSYSA-N	0	0	315.757	2.445	10	5		DEBERN
CC[C@@]1(Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CCOC1	ZINC000588041342	357390253	/nfs/dbraw/zinc/39/02/53/357390253.db2.gz	SLFAAVAXOMKBAB-CQSZACIVSA-N	0	0	309.322	2.066	10	5		DEBERN
CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@H](O)CC(F)(F)C1	ZINC000588832538	357426978	/nfs/dbraw/zinc/42/69/78/357426978.db2.gz	QDVOXDHKERTCFH-SNVBAGLBSA-N	0	0	300.261	2.004	10	5		DEBERN
O=C(N[C@@H]1CCOC1)c1c([N+](=O)[O-])cccc1C(F)(F)F	ZINC000591808541	357763257	/nfs/dbraw/zinc/76/32/57/357763257.db2.gz	QZXYHDXXCYPKAG-SSDOTTSWSA-N	0	0	304.224	2.132	10	5		DEBERN
CC1(CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCC1	ZINC000180102255	199117690	/nfs/dbraw/zinc/11/76/90/199117690.db2.gz	IRXYOPCGDBAIPC-UHFFFAOYSA-N	0	0	312.391	2.247	10	5		DEBERN
CCCC1(O)CN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1	ZINC000089654706	192836686	/nfs/dbraw/zinc/83/66/86/192836686.db2.gz	ITQYTGQJRIOKFJ-UHFFFAOYSA-N	0	0	310.375	2.304	10	5		DEBERN
COC(=O)[C@]1(C)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000187646992	200139507	/nfs/dbraw/zinc/13/95/07/200139507.db2.gz	SIYQMXSEEGKQPL-HNNXBMFYSA-N	0	0	306.318	2.071	10	5		DEBERN
Cc1csc([C@@H]2CCCN(c3c([N+](=O)[O-])ncn3C)C2)n1	ZINC000604551231	360917039	/nfs/dbraw/zinc/91/70/39/360917039.db2.gz	FWSZAORUIYCIKH-SNVBAGLBSA-N	0	0	307.379	2.477	10	5		DEBERN
COc1ccc([N+](=O)[O-])c(N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1	ZINC000610282961	361380182	/nfs/dbraw/zinc/38/01/82/361380182.db2.gz	SWTPZVHPQANGGW-GPCCPHFNSA-N	0	0	305.334	2.025	10	5		DEBERN
Cc1cc([C@H]2CN(c3c([N+](=O)[O-])ncn3C)CCO2)ccc1F	ZINC000611204737	361547556	/nfs/dbraw/zinc/54/75/56/361547556.db2.gz	ZUACCKWJGLHNNL-CYBMUJFWSA-N	0	0	320.324	2.354	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@](O)(C(F)(F)F)C2)n1	ZINC000611616822	361645442	/nfs/dbraw/zinc/64/54/42/361645442.db2.gz	MLOWDOMETRQNTM-NSHDSACASA-N	0	0	305.256	2.110	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H](NC(=O)C(C)C)C2)n1	ZINC000611616303	361645545	/nfs/dbraw/zinc/64/55/45/361645545.db2.gz	VMUCBBWJFHCACH-CYBMUJFWSA-N	0	0	320.393	2.348	10	5		DEBERN
CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCCn2ccnc21	ZINC000619486012	363809794	/nfs/dbraw/zinc/80/97/94/363809794.db2.gz	DTXQGKYJNQPEEX-LLVKDONJSA-N	0	0	304.354	2.306	10	5		DEBERN
CC(C)c1nn(C)c(-n2cc(Br)cn2)c1[N+](=O)[O-]	ZINC000091580893	193075245	/nfs/dbraw/zinc/07/52/45/193075245.db2.gz	FKSHVUWHIVPTKF-UHFFFAOYSA-N	0	0	314.143	2.400	10	5		DEBERN
COC(=O)c1cc(C)nc(N[C@H]2CC23CCOCC3)c1[N+](=O)[O-]	ZINC000450800554	242242918	/nfs/dbraw/zinc/24/29/18/242242918.db2.gz	ZDTWWGHJSDSELT-NSHDSACASA-N	0	0	321.333	2.066	10	5		DEBERN
CC[C@H](C)CN(CC)S(=O)(=O)c1ccc(N)cc1[N+](=O)[O-]	ZINC000093265190	193222611	/nfs/dbraw/zinc/22/26/11/193222611.db2.gz	QIPHGXLAVMNVEN-JTQLQIEISA-N	0	0	315.395	2.234	10	5		DEBERN
CN1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)C1	ZINC000093433936	193250796	/nfs/dbraw/zinc/25/07/96/193250796.db2.gz	JCGBNGVQIWINGO-MRVPVSSYSA-N	0	0	315.171	2.258	10	5		DEBERN
COC(=O)[C@@H](C)C[S@](=O)Cc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000093633835	193277679	/nfs/dbraw/zinc/27/76/79/193277679.db2.gz	QVINNYLFGVONOR-FFVOIRBGSA-N	0	0	319.766	2.306	10	5		DEBERN
[NH3+][C@]1(C(=O)[O-])CCC[C@H](Oc2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000093760678	193301508	/nfs/dbraw/zinc/30/15/08/193301508.db2.gz	XMQQZKUHIJQOMQ-TVQRCGJNSA-N	0	0	314.725	2.352	10	5		DEBERN
[NH3+][C@@]1(C(=O)[O-])CCC[C@H](Oc2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000093760681	193301939	/nfs/dbraw/zinc/30/19/39/193301939.db2.gz	XMQQZKUHIJQOMQ-ZANVPECISA-N	0	0	314.725	2.352	10	5		DEBERN
CCNc1cc(C)c(S(=O)(=O)NCC2CC2)cc1[N+](=O)[O-]	ZINC000094780460	193397646	/nfs/dbraw/zinc/39/76/46/193397646.db2.gz	ANNUTEHRYMVFSL-UHFFFAOYSA-N	0	0	313.379	2.023	10	5		DEBERN
CNc1cc(C)c(S(=O)(=O)N2CCC[C@H]2C)cc1[N+](=O)[O-]	ZINC000094780351	193397709	/nfs/dbraw/zinc/39/77/09/193397709.db2.gz	GQDRBLQSCHDLNT-SNVBAGLBSA-N	0	0	313.379	2.118	10	5		DEBERN
CC[C@@H](C)[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1C	ZINC000094780578	193397875	/nfs/dbraw/zinc/39/78/75/193397875.db2.gz	ARNJYTRMAYBEQT-SCZZXKLOSA-N	0	0	315.395	2.198	10	5		DEBERN
CCNc1cc(C)c(S(=O)(=O)N(C)C2CC2)cc1[N+](=O)[O-]	ZINC000094780499	193397902	/nfs/dbraw/zinc/39/79/02/193397902.db2.gz	WCYHYJKDGNTRLP-UHFFFAOYSA-N	0	0	313.379	2.118	10	5		DEBERN
CC[C@@H](C)N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(NC)cc1C	ZINC000094780486	193397911	/nfs/dbraw/zinc/39/79/11/193397911.db2.gz	FXVYMMTWEJWPCM-SNVBAGLBSA-N	0	0	315.395	2.364	10	5		DEBERN
CCC(CC)NS(=O)(=O)c1cc([N+](=O)[O-])c(NC)cc1C	ZINC000094780438	193397939	/nfs/dbraw/zinc/39/79/39/193397939.db2.gz	PJPHXPTYZDWKDZ-UHFFFAOYSA-N	0	0	315.395	2.412	10	5		DEBERN
CNc1cc(C)c(S(=O)(=O)N[C@@H]2CC2(C)C)cc1[N+](=O)[O-]	ZINC000094780581	193397971	/nfs/dbraw/zinc/39/79/71/193397971.db2.gz	UKZRWFAYPJXOIH-GFCCVEGCSA-N	0	0	313.379	2.022	10	5		DEBERN
O=[N+]([O-])c1cc(Br)c(F)cc1N1CCC[C@H](O)C1	ZINC000097368545	193711884	/nfs/dbraw/zinc/71/18/84/193711884.db2.gz	HTEZDHPLBNUQRI-ZETCQYMHSA-N	0	0	319.130	2.458	10	5		DEBERN
CCS(=O)(=O)CCCOc1ccc([N+](=O)[O-])cc1C(C)=O	ZINC000160775320	197438252	/nfs/dbraw/zinc/43/82/52/197438252.db2.gz	ZNLZGKICKDHQKC-UHFFFAOYSA-N	0	0	315.347	2.001	10	5		DEBERN
CC(C)[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000021125381	182265953	/nfs/dbraw/zinc/26/59/53/182265953.db2.gz	VSZBZRVAXFNZII-VIFPVBQESA-N	0	0	311.294	2.043	10	5		DEBERN
COC(=O)CCCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C	ZINC000154617877	291590973	/nfs/dbraw/zinc/59/09/73/291590973.db2.gz	QFFFCVVDILAIQM-JTQLQIEISA-N	0	0	306.318	2.216	10	5		DEBERN
CCOc1ccc(C(=O)N(C)[C@H](C)C(C)(C)O)cc1[N+](=O)[O-]	ZINC000456091525	246922743	/nfs/dbraw/zinc/92/27/43/246922743.db2.gz	HYIBXJFINQSQMY-SNVBAGLBSA-N	0	0	310.350	2.225	10	5		DEBERN
Cc1cc(C(=O)NC(=S)NCc2ccco2)ccc1[N+](=O)[O-]	ZINC000039841823	183022327	/nfs/dbraw/zinc/02/23/27/183022327.db2.gz	OLFHCXJJTWMJBS-UHFFFAOYSA-N	0	0	319.342	2.301	10	5		DEBERN
Cc1c(C(=O)NC(=S)N2CCCCC2)cccc1[N+](=O)[O-]	ZINC000039841880	183022577	/nfs/dbraw/zinc/02/25/77/183022577.db2.gz	NLQFTFXCEKEQDS-UHFFFAOYSA-N	0	0	307.375	2.404	10	5		DEBERN
COC(=O)[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C(C)C	ZINC000102634800	193905979	/nfs/dbraw/zinc/90/59/79/193905979.db2.gz	VUVPWSDGEDITSM-CYBMUJFWSA-N	0	0	319.317	2.004	10	5		DEBERN
COC(=O)[C@](C)(CSc1ccccc1[N+](=O)[O-])NC1CC1	ZINC000045549946	183515120	/nfs/dbraw/zinc/51/51/20/183515120.db2.gz	SNDSIKWHGPCLGP-AWEZNQCLSA-N	0	0	310.375	2.371	10	5		DEBERN
Nc1c(Cl)cc(C(=O)NCCc2ccco2)cc1[N+](=O)[O-]	ZINC000050707995	183801463	/nfs/dbraw/zinc/80/14/63/183801463.db2.gz	BFZWFMHHMYQFAX-UHFFFAOYSA-N	0	0	309.709	2.396	10	5		DEBERN
CCCC[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N	ZINC000050891293	183807108	/nfs/dbraw/zinc/80/71/08/183807108.db2.gz	KXIUOBSESRMJSU-VIFPVBQESA-N	0	0	301.368	2.034	10	5		DEBERN
O=[N+]([O-])c1ccc(-c2noc(C[C@@H](O)C(F)(F)F)n2)cc1	ZINC000109486054	194268168	/nfs/dbraw/zinc/26/81/68/194268168.db2.gz	BFVHSARLUQZKDQ-MRVPVSSYSA-N	0	0	303.196	2.111	10	5		DEBERN
CCCNc1ccc(S(=O)(=O)N[C@@H]2C[C@H]2C)cc1[N+](=O)[O-]	ZINC000052302222	183857488	/nfs/dbraw/zinc/85/74/88/183857488.db2.gz	WBHMVPCLVOJOIA-BXKDBHETSA-N	0	0	313.379	2.103	10	5		DEBERN
O=C(c1ccccc1[N+](=O)[O-])N1CCO[C@@H](c2nccs2)C1	ZINC000110886219	194366642	/nfs/dbraw/zinc/36/66/42/194366642.db2.gz	BCJYZMUEFPRDNL-GFCCVEGCSA-N	0	0	319.342	2.265	10	5		DEBERN
C[NH2+][C@@H](CCOc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000062595550	184244165	/nfs/dbraw/zinc/24/41/65/184244165.db2.gz	GKARQNYRLTUCQM-VIFPVBQESA-N	0	0	323.132	2.343	10	5		DEBERN
Cc1csc(CCNC(=O)c2ccc([N+](=O)[O-])c(F)c2)n1	ZINC000063134687	184272693	/nfs/dbraw/zinc/27/26/93/184272693.db2.gz	FYTAYGYGYVASMG-UHFFFAOYSA-N	0	0	309.322	2.471	10	5		DEBERN
O=C(c1cc2ccccc2c2cccnc12)N1CCNC(=O)CC1	ZINC000065902149	184382154	/nfs/dbraw/zinc/38/21/54/184382154.db2.gz	CIXGKOCDFRJYCY-UHFFFAOYSA-N	0	0	319.364	2.350	10	5		DEBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)NC1C2CC3CC(C2)CC1C3	ZINC000294497329	224056793	/nfs/dbraw/zinc/05/67/93/224056793.db2.gz	SFVJLTZXWXBTFE-UHFFFAOYSA-N	0	0	318.377	2.041	10	5		DEBERN
CCC(CC)[C@@H](C)NS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1	ZINC000113643044	194608621	/nfs/dbraw/zinc/60/86/21/194608621.db2.gz	HIBRPMVCQGWKQC-SECBINFHSA-N	0	0	315.395	2.280	10	5		DEBERN
O=[N+]([O-])c1cc(F)c(Br)cc1N1CC[C@H](O)C1	ZINC000158793610	197302252	/nfs/dbraw/zinc/30/22/52/197302252.db2.gz	ALUFSBBUOSBJFF-LURJTMIESA-N	0	0	305.103	2.067	10	5		DEBERN
O=[N+]([O-])c1cc(F)c(Br)cc1N1CCC[C@@H](O)C1	ZINC000158788793	197301527	/nfs/dbraw/zinc/30/15/27/197301527.db2.gz	AITLIIIDUCLYLH-SSDOTTSWSA-N	0	0	319.130	2.458	10	5		DEBERN
O=[N+]([O-])c1ccc(N2CCn3c(nnc3-c3ccccc3)C2)cn1	ZINC000439696538	285132567	/nfs/dbraw/zinc/13/25/67/285132567.db2.gz	NMEJRTZINBSHGO-UHFFFAOYSA-N	0	0	322.328	2.269	10	5		DEBERN
O=[N+]([O-])c1ccc(NC2CCS(=O)CC2)c2cccnc21	ZINC000158450932	197274338	/nfs/dbraw/zinc/27/43/38/197274338.db2.gz	VKAXYIHKWOFSCM-UHFFFAOYSA-N	0	0	305.359	2.466	10	5		DEBERN
O=C(NCCCn1ccnc1)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000120300489	195139174	/nfs/dbraw/zinc/13/91/74/195139174.db2.gz	LEZXGSCEIMWRGT-UHFFFAOYSA-N	0	0	313.317	2.093	10	5		DEBERN
CCCC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1	ZINC000157577864	197199113	/nfs/dbraw/zinc/19/91/13/197199113.db2.gz	YAJWVASEQGRSTC-SSDOTTSWSA-N	0	0	307.397	2.096	10	5		DEBERN
CCc1nnc([C@@H]2CN(c3ccc(C)cc3[N+](=O)[O-])CCO2)[nH]1	ZINC000157370429	197182883	/nfs/dbraw/zinc/18/28/83/197182883.db2.gz	SPWPBEZYHQNKAE-ZDUSSCGKSA-N	0	0	317.349	2.162	10	5		DEBERN
C[C@@H](NC(=O)c1cccc(NN)c1[N+](=O)[O-])c1ccsc1	ZINC000157140614	197166170	/nfs/dbraw/zinc/16/61/70/197166170.db2.gz	XGVPURRXMVHRCP-MRVPVSSYSA-N	0	0	306.347	2.433	10	5		DEBERN
CNc1nnc(-c2cc(Br)cc([N+](=O)[O-])c2)n1C	ZINC000156359890	197106744	/nfs/dbraw/zinc/10/67/44/197106744.db2.gz	WHBNSVVQNAGSFT-UHFFFAOYSA-N	0	0	312.127	2.195	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(-n2ccnn2)c1	ZINC000120367540	195152366	/nfs/dbraw/zinc/15/23/66/195152366.db2.gz	CINLYOFCYYLVKX-UHFFFAOYSA-N	0	0	324.300	2.131	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1c1ncon1	ZINC000124112225	195605158	/nfs/dbraw/zinc/60/51/58/195605158.db2.gz	PTJCUKURFBXPFC-LBPRGKRZSA-N	0	0	317.305	2.049	10	5		DEBERN
Cn1nccc1C1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1	ZINC000124369662	195634479	/nfs/dbraw/zinc/63/44/79/195634479.db2.gz	MKNBZVAOBFEISW-UHFFFAOYSA-N	0	0	320.374	2.410	10	5		DEBERN
O=C(c1c(Cl)cccc1[N+](=O)[O-])N1C[C@@H]2CC[C@H](O)[C@@H]2C1	ZINC000124884529	195690113	/nfs/dbraw/zinc/69/01/13/195690113.db2.gz	GYZKDDJHSJXWJF-SBMIAAHKSA-N	0	0	310.737	2.091	10	5		DEBERN
O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@@H](CO)C1CC1	ZINC000357805314	133101733	/nfs/dbraw/zinc/10/17/33/133101733.db2.gz	LUOJDSSORIQGMS-QMMMGPOBSA-N	0	0	305.256	2.439	10	5		DEBERN
CCC(=O)N[C@@H]1CCCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])C1	ZINC000358220096	133129354	/nfs/dbraw/zinc/12/93/54/133129354.db2.gz	YPIUTAQVMCIMSP-GFCCVEGCSA-N	0	0	319.361	2.034	10	5		DEBERN
CSc1ccc(C(=O)NC[C@H](CO)C2CC2)cc1[N+](=O)[O-]	ZINC000359822698	133147213	/nfs/dbraw/zinc/14/72/13/133147213.db2.gz	NKPOKQHIDZNJPY-LLVKDONJSA-N	0	0	310.375	2.065	10	5		DEBERN
C[C@@H]1CCOCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1	ZINC000362241234	133219509	/nfs/dbraw/zinc/21/95/09/133219509.db2.gz	XGAMURPPDLGFIB-LLVKDONJSA-N	0	0	318.333	2.256	10	5		DEBERN
Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1[N+](=O)[O-]	ZINC000004892983	292128250	/nfs/dbraw/zinc/12/82/50/292128250.db2.gz	KNBCCCSPBSJIQQ-IOQCUFBNSA-N	0	0	300.314	2.439	10	5		DEBERN
CCN(CC(F)F)S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-]	ZINC000190145857	145038526	/nfs/dbraw/zinc/03/85/26/145038526.db2.gz	YOMKMZFZXSHNGZ-UHFFFAOYSA-N	0	0	322.333	2.487	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)n1	ZINC000191611558	145061555	/nfs/dbraw/zinc/06/15/55/145061555.db2.gz	CQOZTJDONZPWNA-STQMWFEESA-N	0	0	314.345	2.345	10	5		DEBERN
CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)c1nnc2n1CCCC2	ZINC000192693114	145077166	/nfs/dbraw/zinc/07/71/66/145077166.db2.gz	DXTYXVQELYTFNO-SNVBAGLBSA-N	0	0	319.369	2.221	10	5		DEBERN
COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1csc([N+](=O)[O-])c1	ZINC000248794826	145168038	/nfs/dbraw/zinc/16/80/38/145168038.db2.gz	FAMCDISKKQMPSZ-PEXQALLHSA-N	0	0	324.358	2.070	10	5		DEBERN
CCOc1ccc(C(=O)NCc2ccc(F)cn2)cc1[N+](=O)[O-]	ZINC000358462187	147139061	/nfs/dbraw/zinc/13/90/61/147139061.db2.gz	OHUQDYFSTYGQNN-UHFFFAOYSA-N	0	0	319.292	2.458	10	5		DEBERN
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](C2CC2)C1	ZINC000375327733	148359056	/nfs/dbraw/zinc/35/90/56/148359056.db2.gz	KKDAULABOOMMDE-ABAIWWIYSA-N	0	0	319.361	2.033	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]2COCC[C@H]21	ZINC000408001390	148553524	/nfs/dbraw/zinc/55/35/24/148553524.db2.gz	PLBQBPWHCQMQTB-IINYFYTJSA-N	0	0	308.309	2.375	10	5		DEBERN
CSCCCC(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1	ZINC000126618155	401701829	/nfs/dbraw/zinc/70/18/29/401701829.db2.gz	NSJZPQGNNKAVIS-UHFFFAOYSA-N	0	0	321.362	2.462	10	5		DEBERN
CSCCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000128831567	401793532	/nfs/dbraw/zinc/79/35/32/401793532.db2.gz	STOYSPOVDQZBJB-UHFFFAOYSA-N	0	0	304.393	2.016	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CCC1CC1	ZINC000119174178	401931187	/nfs/dbraw/zinc/93/11/87/401931187.db2.gz	KIARNCNSYLORLC-UHFFFAOYSA-N	0	0	314.363	2.024	10	5		DEBERN
Cc1ccn(-c2ccccc2NC(=O)c2n[nH]cc2[N+](=O)[O-])n1	ZINC000119188474	401932244	/nfs/dbraw/zinc/93/22/44/401932244.db2.gz	WLCGKZHZVFOOSB-UHFFFAOYSA-N	0	0	312.289	2.064	10	5		DEBERN
C[C@@H](CO)CSc1ncc([N+](=O)[O-])cc1Br	ZINC000086482077	401923601	/nfs/dbraw/zinc/92/36/01/401923601.db2.gz	SRDSQTSRNRWZLV-LURJTMIESA-N	0	0	307.169	2.473	10	5		DEBERN
Cc1ccc(CN2CCO[C@H](Cn3cccn3)C2)cc1[N+](=O)[O-]	ZINC000122203329	402066541	/nfs/dbraw/zinc/06/65/41/402066541.db2.gz	UYSJPKRRBUUMJP-HNNXBMFYSA-N	0	0	316.361	2.001	10	5		DEBERN
CCC(=O)N1CSC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000102718523	402171154	/nfs/dbraw/zinc/17/11/54/402171154.db2.gz	UOOLRBCAYZJQTM-LBPRGKRZSA-N	0	0	323.374	2.153	10	5		DEBERN
CS(=O)(=O)c1cc(N2C[C@@H]3CCC[C@@H]3C2)ccc1[N+](=O)[O-]	ZINC000126064903	402262602	/nfs/dbraw/zinc/26/26/02/402262602.db2.gz	IFQIVJGWLRMQGY-PHIMTYICSA-N	0	0	310.375	2.235	10	5		DEBERN
C[C@]1(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCS1	ZINC000126223922	402270261	/nfs/dbraw/zinc/27/02/61/402270261.db2.gz	NYWMOXBIAUPMLY-SNVBAGLBSA-N	0	0	322.433	2.220	10	5		DEBERN
CC(C)(C)C1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1	ZINC000184640963	402287788	/nfs/dbraw/zinc/28/77/88/402287788.db2.gz	UMQXUXSVSHWWDR-UHFFFAOYSA-N	0	0	306.366	2.470	10	5		DEBERN
Cc1ccc([C@H](C)OC(=O)CN2CCCC2=O)cc1[N+](=O)[O-]	ZINC000176940536	402353118	/nfs/dbraw/zinc/35/31/18/402353118.db2.gz	DQCIJCJJSSAMPC-NSHDSACASA-N	0	0	306.318	2.130	10	5		DEBERN
Nc1c(C(=O)Nc2cc(-c3ccncc3)[nH]n2)cccc1[N+](=O)[O-]	ZINC000161340007	402383548	/nfs/dbraw/zinc/38/35/48/402383548.db2.gz	LQOCROKBMCLXHC-UHFFFAOYSA-N	0	0	324.300	2.214	10	5		DEBERN
O=[N+]([O-])c1cccnc1N1C[C@@H](c2ccsc2)[C@H](CO)C1	ZINC000186145521	402405331	/nfs/dbraw/zinc/40/53/31/402405331.db2.gz	SZFAGFABKQYITN-RYUDHWBXSA-N	0	0	305.359	2.264	10	5		DEBERN
CCO[C@@H]1C[C@H](N(C)C(=O)c2n[nH]cc2[N+](=O)[O-])C12CCCC2	ZINC000163794298	402457820	/nfs/dbraw/zinc/45/78/20/402457820.db2.gz	XORFJHUELLFOOW-NWDGAFQWSA-N	0	0	322.365	2.128	10	5		DEBERN
CCC[NH+]1CCC(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1	ZINC000164444395	402463144	/nfs/dbraw/zinc/46/31/44/402463144.db2.gz	PWHITQLBUYOKIZ-UHFFFAOYSA-N	0	0	321.377	2.152	10	5		DEBERN
CSc1cccc(C(=O)N2[C@H](C)CN(C)C[C@H]2C)c1[N+](=O)[O-]	ZINC000186893484	402469721	/nfs/dbraw/zinc/46/97/21/402469721.db2.gz	XBPLENZIHDNBBD-GHMZBOCLSA-N	0	0	323.418	2.481	10	5		DEBERN
CO[C@@H](C)c1cccc(NC(=O)c2c([N+](=O)[O-])cnn2C)c1	ZINC000166221340	402482666	/nfs/dbraw/zinc/48/26/66/402482666.db2.gz	NDSXUZAZGVWYMA-VIFPVBQESA-N	0	0	304.306	2.288	10	5		DEBERN
O=C(N[C@@H]1CCCOC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1	ZINC000178383232	402492412	/nfs/dbraw/zinc/49/24/12/402492412.db2.gz	KMCAVBPCWSTPGN-CYBMUJFWSA-N	0	0	319.361	2.448	10	5		DEBERN
CC1(C)CC[C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])O1	ZINC000187364935	402496592	/nfs/dbraw/zinc/49/65/92/402496592.db2.gz	SDKQEHYVUFPPAM-LLVKDONJSA-N	0	0	308.334	2.047	10	5		DEBERN
CNC(=O)[C@H]1CCCN1C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1	ZINC000189572865	402546420	/nfs/dbraw/zinc/54/64/20/402546420.db2.gz	KIMMBKZWUJPZOQ-CYBMUJFWSA-N	0	0	319.361	2.069	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C)[C@@H](OC)C1	ZINC000189832479	402561086	/nfs/dbraw/zinc/56/10/86/402561086.db2.gz	DFBPQYKPKGSVQO-HZMBPMFUSA-N	0	0	323.349	2.492	10	5		DEBERN
CO[C@H]1C[C@@H](c2nc(C)no2)N(Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000190099017	402575773	/nfs/dbraw/zinc/57/57/73/402575773.db2.gz	DJNRHUCJGBOTPC-KBPBESRZSA-N	0	0	318.333	2.248	10	5		DEBERN
COc1ccc(OCc2nnc(C3CC3)n2C)cc1[N+](=O)[O-]	ZINC000190194098	402583719	/nfs/dbraw/zinc/58/37/19/402583719.db2.gz	WVMCEQFGLZNMIX-UHFFFAOYSA-N	0	0	304.306	2.188	10	5		DEBERN
COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccccc1[N+](=O)[O-]	ZINC000248773828	402608335	/nfs/dbraw/zinc/60/83/35/402608335.db2.gz	AVHOMDAXNQJNLP-WHOFXGATSA-N	0	0	304.346	2.368	10	5		DEBERN
COC[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccccc1	ZINC000171317917	402577639	/nfs/dbraw/zinc/57/76/39/402577639.db2.gz	DQEMFEWHUIQTNQ-HNNXBMFYSA-N	0	0	315.329	2.416	10	5		DEBERN
O=C(Cn1cc([N+](=O)[O-])cn1)N1CC=C(c2cccs2)CC1	ZINC000172093235	402640118	/nfs/dbraw/zinc/64/01/18/402640118.db2.gz	YNYDGSJURNXECC-UHFFFAOYSA-N	0	0	318.358	2.169	10	5		DEBERN
CC(C)Cn1ccnc1CNC(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000173908159	402718825	/nfs/dbraw/zinc/71/88/25/402718825.db2.gz	ICIUHJLWAPGODQ-UHFFFAOYSA-N	0	0	316.361	2.306	10	5		DEBERN
CC[C@@H](NS(=O)(=O)c1cccnc1)c1cccc([N+](=O)[O-])c1	ZINC000175113599	402780225	/nfs/dbraw/zinc/78/02/25/402780225.db2.gz	BCKZFXRWCRAQJS-CQSZACIVSA-N	0	0	321.358	2.419	10	5		DEBERN
C[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCCO1	ZINC000183120404	402740587	/nfs/dbraw/zinc/74/05/87/402740587.db2.gz	LKQMMIWHROCUNH-GXFFZTMASA-N	0	0	318.333	2.302	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1CN1CCN(c2ncccn2)CC1	ZINC000183227956	402748665	/nfs/dbraw/zinc/74/86/65/402748665.db2.gz	FXMMHJJOEKFBSR-UHFFFAOYSA-N	0	0	313.361	2.015	10	5		DEBERN
CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](NC(C)=O)C1	ZINC000175101896	402779798	/nfs/dbraw/zinc/77/97/98/402779798.db2.gz	GSQWESRCDPIDKY-CQSZACIVSA-N	0	0	321.377	2.094	10	5		DEBERN
Cc1cc(C(=O)N2CCN3CCCC[C@H]3C2)ccc1[N+](=O)[O-]	ZINC000195077049	402830583	/nfs/dbraw/zinc/83/05/83/402830583.db2.gz	MIYYIEWRZHDOFA-AWEZNQCLSA-N	0	0	303.362	2.214	10	5		DEBERN
CCOC(=O)[C@H](C)CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000175185546	402786140	/nfs/dbraw/zinc/78/61/40/402786140.db2.gz	KHQGEKZCKPBSIS-SECBINFHSA-N	0	0	319.317	2.005	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cn(C)nc1C	ZINC000274764160	403085242	/nfs/dbraw/zinc/08/52/42/403085242.db2.gz	IYEOHOMCVCSAKH-DHZHZOJOSA-N	0	0	314.345	2.356	10	5		DEBERN
COC(=O)c1cc(NC[C@H](O)C2CCCC2)ccc1[N+](=O)[O-]	ZINC000301256469	403607655	/nfs/dbraw/zinc/60/76/55/403607655.db2.gz	BNDFWXJTHWYVSH-AWEZNQCLSA-N	0	0	308.334	2.344	10	5		DEBERN
CSC(C)(C)CNc1nc2ccccn2c(=O)c1[N+](=O)[O-]	ZINC000301412905	403626207	/nfs/dbraw/zinc/62/62/07/403626207.db2.gz	AWNKAWZWSRKACL-UHFFFAOYSA-N	0	0	308.363	2.156	10	5		DEBERN
CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H]2CC=CC[C@@H]2C1	ZINC000301450231	403631549	/nfs/dbraw/zinc/63/15/49/403631549.db2.gz	XBFHPCRJZKTOHE-VXGBXAGGSA-N	0	0	301.346	2.357	10	5		DEBERN
Cc1ccc(CCNc2ccc([N+](=O)[O-])cc2C(N)=O)cn1	ZINC000301600887	403652263	/nfs/dbraw/zinc/65/22/63/403652263.db2.gz	ZGNREWPLDSDCOJ-UHFFFAOYSA-N	0	0	300.318	2.052	10	5		DEBERN
CNC(=O)[C@@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)C(C)C	ZINC000301754465	403674789	/nfs/dbraw/zinc/67/47/89/403674789.db2.gz	CMXOKFRXILJGSS-NSHDSACASA-N	0	0	317.292	2.379	10	5		DEBERN
Cc1cc(N2CCN(CC3CCCC3)C(=O)C2)ncc1[N+](=O)[O-]	ZINC000301838885	403688488	/nfs/dbraw/zinc/68/84/88/403688488.db2.gz	ZHFBZXSDZPCLHM-UHFFFAOYSA-N	0	0	318.377	2.137	10	5		DEBERN
CO[C@@H]1C[C@@H](CO)N(c2cc(C)nc3c2cccc3[N+](=O)[O-])C1	ZINC000367033457	404905012	/nfs/dbraw/zinc/90/50/12/404905012.db2.gz	NBIFXJWYUYWUOF-NWDGAFQWSA-N	0	0	317.345	2.037	10	5		DEBERN
C[C@@H](NC(=O)N1CCOCC[C@@H]1C)c1cccc([N+](=O)[O-])c1	ZINC000378431666	404962942	/nfs/dbraw/zinc/96/29/42/404962942.db2.gz	OHQIRLAEKACAIN-NWDGAFQWSA-N	0	0	307.350	2.476	10	5		DEBERN
O=[N+]([O-])c1cnc2ccc(N3CCC(OCC4CC4)CC3)nn21	ZINC000367208614	404965395	/nfs/dbraw/zinc/96/53/95/404965395.db2.gz	KEQHDUNJIQEJJL-UHFFFAOYSA-N	0	0	317.349	2.033	10	5		DEBERN
C/C=C/C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)OCC	ZINC000361549083	405128115	/nfs/dbraw/zinc/12/81/15/405128115.db2.gz	JAIHGASNECINNM-LQPUYASZSA-N	0	0	324.308	2.362	10	5		DEBERN
CCOc1ccc(C(=O)N2C[C@@H](F)[C@@H](F)C2)cc1[N+](=O)[O-]	ZINC000456113786	405504223	/nfs/dbraw/zinc/50/42/23/405504223.db2.gz	XJIADTJEKZPPSZ-AOOOYVTPSA-N	0	0	300.261	2.126	10	5		DEBERN
NC(=O)c1c(Br)c(OC(F)F)ccc1[N+](=O)[O-]	ZINC000575682775	406818127	/nfs/dbraw/zinc/81/81/27/406818127.db2.gz	BOHZQUXAYLSHPQ-UHFFFAOYSA-N	0	0	311.038	2.058	10	5		DEBERN
CCOC(=O)Cc1cc(Br)c(OC)cc1[N+](=O)[O-]	ZINC000575700236	406820773	/nfs/dbraw/zinc/82/07/73/406820773.db2.gz	QLSUGXMVNJNEAV-UHFFFAOYSA-N	0	0	318.123	2.472	10	5		DEBERN
COC(=O)c1c(C)c([N+](=O)[O-])ccc1I	ZINC000575714641	406822932	/nfs/dbraw/zinc/82/29/32/406822932.db2.gz	MVAAYGGTRNGUJN-UHFFFAOYSA-N	0	0	321.070	2.294	10	5		DEBERN
CCNc1cc(C(=O)NCc2cncs2)ccc1[N+](=O)[O-]	ZINC000128688678	195984453	/nfs/dbraw/zinc/98/44/53/195984453.db2.gz	QRSDCQXVMHQNPD-UHFFFAOYSA-N	0	0	306.347	2.413	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCCCC2)cc1F	ZINC000129845908	196080107	/nfs/dbraw/zinc/08/01/07/196080107.db2.gz	MGHLHFLJALGQDV-UHFFFAOYSA-N	0	0	302.327	2.299	10	5		DEBERN
C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1)c1ccco1	ZINC000131165994	196145416	/nfs/dbraw/zinc/14/54/16/196145416.db2.gz	QQQWLSGCXMMLOR-QMMMGPOBSA-N	0	0	314.294	2.366	10	5		DEBERN
CCn1cc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)ccc1=O	ZINC000131479986	196172164	/nfs/dbraw/zinc/17/21/64/196172164.db2.gz	DEGOUWMDSHAKGF-UHFFFAOYSA-N	0	0	307.331	2.399	10	5		DEBERN
O=[N+]([O-])c1c(NC[C@@]2(CCO)CCOC2)ccc2ncccc21	ZINC000131694263	196191537	/nfs/dbraw/zinc/19/15/37/196191537.db2.gz	KTRVKPQTZRCAHE-MRXNPFEDSA-N	0	0	317.345	2.344	10	5		DEBERN
CCS(=O)(=O)C[C@H](C)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000132217557	196236295	/nfs/dbraw/zinc/23/62/95/196236295.db2.gz	CKGBNAVZXPJLEL-QMMMGPOBSA-N	0	0	306.771	2.483	10	5		DEBERN
CCN(CC1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(NC)c1	ZINC000132702532	196277255	/nfs/dbraw/zinc/27/72/55/196277255.db2.gz	FLIIFGAZIUBRCV-UHFFFAOYSA-N	0	0	313.379	2.057	10	5		DEBERN
CCCC(C)(C)NS(=O)(=O)c1cc(NC)ccc1[N+](=O)[O-]	ZINC000133733219	196332251	/nfs/dbraw/zinc/33/22/51/196332251.db2.gz	FHJWVXFJDRWLSZ-UHFFFAOYSA-N	0	0	315.395	2.494	10	5		DEBERN
CCOC(=O)COc1cccc([N+](=O)[O-])c1Br	ZINC000135105380	196444950	/nfs/dbraw/zinc/44/49/50/196444950.db2.gz	KBESVRNQLWMNPR-UHFFFAOYSA-N	0	0	304.096	2.299	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCS[C@H]3CCCC[C@@H]32)n1	ZINC000191661951	225114333	/nfs/dbraw/zinc/11/43/33/225114333.db2.gz	MGIAPCLDSCKNTI-JQWIXIFHSA-N	0	0	324.406	2.311	10	5		DEBERN
Cc1ccn2c(c1)nnc2NC(=O)c1ccc([N+](=O)[O-])s1	ZINC000088255259	418492426	/nfs/dbraw/zinc/49/24/26/418492426.db2.gz	CLKSAAOMOBFTRT-UHFFFAOYSA-N	0	0	303.303	2.260	10	5		DEBERN
C[C@@H]1CCOCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000378511078	274310347	/nfs/dbraw/zinc/31/03/47/274310347.db2.gz	XLUGDPNSALEOMM-LLVKDONJSA-N	0	0	318.333	2.256	10	5		DEBERN
O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C\c1cocn1	ZINC000191234583	275043101	/nfs/dbraw/zinc/04/31/01/275043101.db2.gz	HTFUOLPUGMHHFQ-WEVVVXLNSA-N	0	0	310.269	2.237	10	5		DEBERN
CC1(C)C[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])c2ccccc2O1	ZINC000154986611	276142790	/nfs/dbraw/zinc/14/27/90/276142790.db2.gz	HPTUYQZSBSSOFO-SNVBAGLBSA-N	0	0	316.317	2.350	10	5		DEBERN
CC(=O)c1ccc(N2CCO[C@]3(CCCOC3)C2)c([N+](=O)[O-])c1	ZINC000286395009	277111590	/nfs/dbraw/zinc/11/15/90/277111590.db2.gz	GYHWTVPCSRPFTJ-MRXNPFEDSA-N	0	0	320.345	2.183	10	5		DEBERN
C[C@@H](O)C1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1	ZINC000110600093	278391095	/nfs/dbraw/zinc/39/10/95/278391095.db2.gz	SIPRJABMLAVVHH-SNVBAGLBSA-N	0	0	319.361	2.077	10	5		DEBERN
Cc1ccc2c(n1)OCCN2C(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000180477705	278894580	/nfs/dbraw/zinc/89/45/80/278894580.db2.gz	SMALGKUDUIMCOI-UHFFFAOYSA-N	0	0	317.276	2.477	10	5		DEBERN
O=[N+]([O-])c1cc(Cl)c(N2CCO[C@H](CO)C2)c(Cl)c1	ZINC000126531492	280357642	/nfs/dbraw/zinc/35/76/42/280357642.db2.gz	QEXITHJGXHKVKW-QMMMGPOBSA-N	0	0	307.133	2.099	10	5		DEBERN
CC1(C)CCCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000157174388	280990121	/nfs/dbraw/zinc/99/01/21/280990121.db2.gz	NZFFRJHHUAFHBL-UHFFFAOYSA-N	0	0	302.327	2.297	10	5		DEBERN
CC[C@H]1CN(c2ncc(C)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1	ZINC000408337084	288302487	/nfs/dbraw/zinc/30/24/87/288302487.db2.gz	SHDHANIPZUQICY-WFASDCNBSA-N	0	0	307.350	2.073	10	5		DEBERN
CCC[C@](C)(CO)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21	ZINC000135447213	282072445	/nfs/dbraw/zinc/07/24/45/282072445.db2.gz	BFOVKMOHKOAGRA-OAHLLOKOSA-N	0	0	305.334	2.357	10	5		DEBERN
CC(C)C[C@H](CO)N(C)C(=O)NCc1cccc([N+](=O)[O-])c1	ZINC000188537469	333047962	/nfs/dbraw/zinc/04/79/62/333047962.db2.gz	ULZZEOATFADJAS-CQSZACIVSA-N	0	0	309.366	2.143	10	5		DEBERN
Cc1cnn(CCNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c1	ZINC000185254608	333206289	/nfs/dbraw/zinc/20/62/89/333206289.db2.gz	BRXAGEIGNAITSR-NSHDSACASA-N	0	0	320.324	2.159	10	5		DEBERN
Cc1ccc(N[C@@H]2CCN(C3CCOCC3)C2=O)c([N+](=O)[O-])c1	ZINC000364889039	525314659	/nfs/dbraw/zinc/31/46/59/525314659.db2.gz	QOKOMQPEYAOVLV-CQSZACIVSA-N	0	0	319.361	2.095	10	5		DEBERN
O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CCCC[C@H]1CO	ZINC000151092617	526516321	/nfs/dbraw/zinc/51/63/21/526516321.db2.gz	XGMLKMKPMZCSNQ-STQMWFEESA-N	0	0	321.377	2.064	10	5		DEBERN
Cc1nn(C)c(C(=O)NCCCc2cccc(F)c2)c1[N+](=O)[O-]	ZINC000109230109	527599630	/nfs/dbraw/zinc/59/96/30/527599630.db2.gz	SSMRGYXNAMJVNB-UHFFFAOYSA-N	0	0	320.324	2.138	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C)cc2OC)n1	ZINC000191558745	529154782	/nfs/dbraw/zinc/15/47/82/529154782.db2.gz	PBPMOGQTPFEQCT-UHFFFAOYSA-N	0	0	304.306	2.381	10	5		DEBERN
CCSCc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1	ZINC000456473423	535692896	/nfs/dbraw/zinc/69/28/96/535692896.db2.gz	OFVIZYMHHWMFEC-UHFFFAOYSA-N	0	0	321.362	2.078	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)n1	ZINC000191611543	536093927	/nfs/dbraw/zinc/09/39/27/536093927.db2.gz	CQOZTJDONZPWNA-CHWSQXEVSA-N	0	0	314.345	2.345	10	5		DEBERN
CC(=O)c1cc(N2CCO[C@@H](C(F)F)C2)ccc1[N+](=O)[O-]	ZINC000804693815	623160028	/nfs/dbraw/zinc/16/00/28/623160028.db2.gz	IYYAGWDHBYUCBL-GFCCVEGCSA-N	0	0	300.261	2.268	10	5		DEBERN
Cc1cc([C@@H]2CN(Cn3cc([N+](=O)[O-])cn3)CCO2)ccc1F	ZINC000161115339	624802539	/nfs/dbraw/zinc/80/25/39/624802539.db2.gz	FLKZSDOPKZJXMM-HNNXBMFYSA-N	0	0	320.324	2.270	10	5		DEBERN
CC[C@@H](CC(=O)OCCn1cnc([N+](=O)[O-])n1)c1ccccc1	ZINC000176678456	624894209	/nfs/dbraw/zinc/89/42/09/624894209.db2.gz	GNXOSDGMUVOZPY-LBPRGKRZSA-N	0	0	318.333	2.313	10	5		DEBERN
COC(=O)CCCCCCNC(=O)c1cc([N+](=O)[O-])cnc1C	ZINC000055433446	635078279	/nfs/dbraw/zinc/07/82/79/635078279.db2.gz	KOPZEJWTHXGUKE-UHFFFAOYSA-N	0	0	323.349	2.152	10	5		DEBERN
CCc1ccc(C(=O)O[C@H](C(=O)N(C)C)C(C)C)cc1[N+](=O)[O-]	ZINC000747013552	636148227	/nfs/dbraw/zinc/14/82/27/636148227.db2.gz	XXRZGEOHUFDGOX-AWEZNQCLSA-N	0	0	322.361	2.427	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C(=O)N(C)C)C(C)C)c1	ZINC000745389186	638261801	/nfs/dbraw/zinc/26/18/01/638261801.db2.gz	YCBIXXAZIIAQKU-CYBMUJFWSA-N	0	0	308.334	2.173	10	5		DEBERN
C/C(=C/C(=O)NCCn1ccnc1C)c1ccc([N+](=O)[O-])cc1	ZINC000751775728	639120392	/nfs/dbraw/zinc/12/03/92/639120392.db2.gz	HXRWMTYQHBNSDE-QXMHVHEDSA-N	0	0	314.345	2.319	10	5		DEBERN
CCOC(=O)[C@H](CC1CC1)NC(=O)c1ccc([N+](=O)[O-])s1	ZINC000752383388	639177269	/nfs/dbraw/zinc/17/72/69/639177269.db2.gz	LXMWCICKXLLFMD-VIFPVBQESA-N	0	0	312.347	2.118	10	5		DEBERN
C/C(=C\C(=O)N(C)Cc1cnccn1)c1ccc([N+](=O)[O-])cc1	ZINC000752411085	639181449	/nfs/dbraw/zinc/18/14/49/639181449.db2.gz	IUHDJUHZKGCZAA-FMIVXFBMSA-N	0	0	312.329	2.447	10	5		DEBERN
C/C(=C/C(=O)N[C@@](C)(CO)C1CC1)c1ccc([N+](=O)[O-])cc1	ZINC000752578611	639199555	/nfs/dbraw/zinc/19/95/55/639199555.db2.gz	CRUYDZRYDVIHPW-SLWQEBJJSA-N	0	0	304.346	2.275	10	5		DEBERN
COC(=O)c1cc(OCC2(O)CCCCC2)ccc1[N+](=O)[O-]	ZINC000179114133	640094981	/nfs/dbraw/zinc/09/49/81/640094981.db2.gz	CNHUYIGYOWYBKX-UHFFFAOYSA-N	0	0	309.318	2.455	10	5		DEBERN
CC(C)[C@H](OC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C	ZINC000729694828	640827721	/nfs/dbraw/zinc/82/77/21/640827721.db2.gz	FZODXJRBAYCYDH-XMELGKRDSA-N	0	0	320.345	2.264	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C)c1nncn1C	ZINC000805530021	641989700	/nfs/dbraw/zinc/98/97/00/641989700.db2.gz	AYTLZFNMIAKXGX-HIJJYWJESA-N	0	0	316.317	2.431	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H]1CC(=O)N(C)[C@H]1C	ZINC000806068589	644495790	/nfs/dbraw/zinc/49/57/90/644495790.db2.gz	MXJKQAZDNIKEQE-KDGJFNHZSA-N	0	0	318.329	2.161	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1CN1CCO[C@H](C(F)F)C1	ZINC000801561256	645415399	/nfs/dbraw/zinc/41/53/99/645415399.db2.gz	NNNRRYZSADSLLK-LBPRGKRZSA-N	0	0	302.277	2.069	10	5		DEBERN
Cc1cc(NC(=O)N2CCO[C@@H](C(F)F)C2)ccc1[N+](=O)[O-]	ZINC000801644652	645426208	/nfs/dbraw/zinc/42/62/08/645426208.db2.gz	FUERVMVLKLZHSS-LLVKDONJSA-N	0	0	315.276	2.401	10	5		DEBERN
Cn1ncc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)c1C1CC1	ZINC000801952235	645469128	/nfs/dbraw/zinc/46/91/28/645469128.db2.gz	QFOIDTUJLVVLNI-UHFFFAOYSA-N	0	0	319.296	2.179	10	5		DEBERN
CC(=O)c1cc([N+](=O)[O-])ccc1NCc1cc(C(N)=O)co1	ZINC000804625120	645798198	/nfs/dbraw/zinc/79/81/98/645798198.db2.gz	WVVAMAPQUWEZHU-UHFFFAOYSA-N	0	0	303.274	2.101	10	5		DEBERN
CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000174822247	647665942	/nfs/dbraw/zinc/66/59/42/647665942.db2.gz	HLBKIFOXBGFGRN-CYBMUJFWSA-N	0	0	311.769	2.349	10	5		DEBERN
Cc1ccc(OC(=O)c2cnn3ccc(C)nc23)c([N+](=O)[O-])c1	ZINC000068651428	648487334	/nfs/dbraw/zinc/48/73/34/648487334.db2.gz	KBELONZSLXRTOO-UHFFFAOYSA-N	0	0	312.285	2.474	10	5		DEBERN
C[C@@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])C(C)(C)C	ZINC000112308126	651491974	/nfs/dbraw/zinc/49/19/74/651491974.db2.gz	XMCRKVQYGSNTTK-SNVBAGLBSA-N	0	0	308.334	2.337	10	5		DEBERN
CN(Cc1ccc(Cl)nc1)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O	ZINC000192794696	684457670	/nfs/dbraw/zinc/45/76/70/684457670.db2.gz	GYWYEUITGNEOCT-UHFFFAOYSA-N	0	0	322.708	2.016	10	5		DEBERN
COCCOCCC(=O)Oc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000195262892	685092062	/nfs/dbraw/zinc/09/20/62/685092062.db2.gz	RJRFABDOQDWRSN-UHFFFAOYSA-N	0	0	303.698	2.207	10	5		DEBERN
COC(=O)/C=C\c1ccc(Nc2cnn(C)c2)c([N+](=O)[O-])c1	ZINC000215897998	685105240	/nfs/dbraw/zinc/10/52/40/685105240.db2.gz	MKTFHHPOUOFKSI-XQRVVYSFSA-N	0	0	302.290	2.258	10	5		DEBERN
C[C@@H]1CN(Cn2cc([N+](=O)[O-])cn2)C[C@@H](c2ccc(F)cc2)O1	ZINC000246798664	685137055	/nfs/dbraw/zinc/13/70/55/685137055.db2.gz	AZRPIWCEPGQSMZ-ABAIWWIYSA-N	0	0	320.324	2.350	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](O)[C@@H](C)C1	ZINC000588530645	777357381	/nfs/dbraw/zinc/35/73/81/777357381.db2.gz	NIBKKGPEESBPCZ-JHQFHEGESA-N	0	0	304.346	2.227	10	5		DEBERN
COC[C@H](Cn1cc(Br)c([N+](=O)[O-])n1)C(C)C	ZINC000721716251	778401961	/nfs/dbraw/zinc/40/19/61/778401961.db2.gz	KIADAYPOWIIESP-QMMMGPOBSA-N	0	0	306.160	2.472	10	5		DEBERN
CCn1nc(C)c([N+](=O)[O-])c1Sc1nc(CO)cs1	ZINC000723384710	787343739	/nfs/dbraw/zinc/34/37/39/787343739.db2.gz	SCNJUGGWBBSUJK-UHFFFAOYSA-N	0	0	300.365	2.220	10	5		DEBERN
CS(=O)(=O)[C@H]1C[C@H](Nc2cc(Cl)c(F)cc2[N+](=O)[O-])C1	ZINC000714250940	792306590	/nfs/dbraw/zinc/30/65/90/792306590.db2.gz	SPBUQECVDWWZCK-LJGSYFOKSA-N	0	0	322.745	2.375	10	5		DEBERN
CC1(CCNc2c3ccccc3ncc2[N+](=O)[O-])OCCO1	ZINC000716047260	792555128	/nfs/dbraw/zinc/55/51/28/792555128.db2.gz	GUYCDULTDUJVIR-UHFFFAOYSA-N	0	0	303.318	2.130	10	5		DEBERN
Cc1cc(Cn2cc(Br)c([N+](=O)[O-])n2)c(C)nn1	ZINC000720581296	1085557160	/nfs/dbraw/zinc/55/71/60/1085557160.db2.gz	BWGZSIGSERMMHY-UHFFFAOYSA-N	0	0	312.127	2.009	10	5		DEBERN
COC[C@H](COc1cc(Br)ccc1[N+](=O)[O-])OC	ZINC000703812192	1086554683	/nfs/dbraw/zinc/55/46/83/1086554683.db2.gz	HISKNMRGILACOP-SECBINFHSA-N	0	0	320.139	2.398	10	5		DEBERN
CO[C@@](C)(CO)CNc1cccc(Br)c1[N+](=O)[O-]	ZINC000705326424	1086613429	/nfs/dbraw/zinc/61/34/29/1086613429.db2.gz	PKNVQTPPNIAYGT-LLVKDONJSA-N	0	0	319.155	2.167	10	5		DEBERN
Cc1noc([C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C(C)C)n1	ZINC000173020998	1089229497	/nfs/dbraw/zinc/22/94/97/1089229497.db2.gz	RFLSDIQQFRJUOG-AWEZNQCLSA-N	0	0	318.333	2.342	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)ccc2O)n1	ZINC000138480791	282099437	/nfs/dbraw/zinc/09/94/37/282099437.db2.gz	HNGHUYSKGOEUJF-UHFFFAOYSA-N	0	0	310.697	2.423	10	5		DEBERN
Cc1ccncc1CNC(=O)c1ccnc(Cl)c1[N+](=O)[O-]	ZINC000162737066	197587796	/nfs/dbraw/zinc/58/77/96/197587796.db2.gz	CQAFNFXBHMRQLA-UHFFFAOYSA-N	0	0	306.709	2.277	10	5		DEBERN
CC[C@@H](C)C[C@H](C)NS(=O)(=O)c1cc(N)ccc1[N+](=O)[O-]	ZINC000088311766	185245345	/nfs/dbraw/zinc/24/53/45/185245345.db2.gz	SJZKBDKFHGNRJH-ZJUUUORDSA-N	0	0	315.395	2.280	10	5		DEBERN
CC[C@H](NC(=O)c1nn(CC)cc1[N+](=O)[O-])c1nccs1	ZINC000191626810	529581980	/nfs/dbraw/zinc/58/19/80/529581980.db2.gz	VMXUMSHZJVFOHA-QMMMGPOBSA-N	0	0	309.351	2.149	10	5		DEBERN
O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCOC[C@@H]1C1CC1	ZINC000089974791	185272744	/nfs/dbraw/zinc/27/27/44/185272744.db2.gz	VONYGHHMXRVQRZ-OAHLLOKOSA-N	0	0	315.329	2.327	10	5		DEBERN
CC[C@@H](NC(=O)c1nn(CC)cc1[N+](=O)[O-])c1c(C)noc1C	ZINC000191689349	529679482	/nfs/dbraw/zinc/67/94/82/529679482.db2.gz	PEBRHUNOOQSEQI-SNVBAGLBSA-N	0	0	321.337	2.297	10	5		DEBERN
COCc1cncc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1	ZINC000613175376	362027853	/nfs/dbraw/zinc/02/78/53/362027853.db2.gz	PZLCWHQLPCRNSI-UHFFFAOYSA-N	0	0	313.313	2.339	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]2c2cccc(F)c2)cc1	ZINC000090558531	185303230	/nfs/dbraw/zinc/30/32/30/185303230.db2.gz	FSUMUOIBHGKCOL-IURRXHLWSA-N	0	0	322.317	2.480	10	5		DEBERN
CCCCCCC(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000092518744	185323946	/nfs/dbraw/zinc/32/39/46/185323946.db2.gz	JMODCSOKWIICIR-GOEBONIOSA-N	0	0	324.377	2.076	10	5		DEBERN
CCc1nn(C)c(OC)c1CNc1cc(CO)ccc1[N+](=O)[O-]	ZINC000302022211	529768261	/nfs/dbraw/zinc/76/82/61/529768261.db2.gz	FZZHXZWOJNWMGI-UHFFFAOYSA-N	0	0	320.349	2.004	10	5		DEBERN
O=C(NCc1ccccc1[N+](=O)[O-])c1cn2ccnc2s1	ZINC000188322703	282297515	/nfs/dbraw/zinc/29/75/15/282297515.db2.gz	MLPQVHUFJXOOIU-UHFFFAOYSA-N	0	0	302.315	2.234	10	5		DEBERN
Cc1nc(CNC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cs1	ZINC000170497351	197777877	/nfs/dbraw/zinc/77/78/77/197777877.db2.gz	QPLHDDAQEWOFRB-UHFFFAOYSA-N	0	0	320.374	2.356	10	5		DEBERN
CCNc1c(C(=O)Nc2nnc(C)s2)cccc1[N+](=O)[O-]	ZINC000123764764	185840231	/nfs/dbraw/zinc/84/02/31/185840231.db2.gz	XZLFJJLNKQCQHR-UHFFFAOYSA-N	0	0	307.335	2.439	10	5		DEBERN
CO[C@@H]1CC[C@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1	ZINC000126593955	185876826	/nfs/dbraw/zinc/87/68/26/185876826.db2.gz	DJSQBTOORRTRAH-RBSFLKMASA-N	0	0	320.345	2.003	10	5		DEBERN
CC(=O)Nc1ccc(Sc2ncnc(N)c2[N+](=O)[O-])cc1	ZINC000149651039	186051750	/nfs/dbraw/zinc/05/17/50/186051750.db2.gz	ZWLJEGTUBGTXOU-UHFFFAOYSA-N	0	0	305.319	2.077	10	5		DEBERN
CC(C)Oc1nc(N)nc(Sc2ccc([N+](=O)[O-])cc2)n1	ZINC000150184327	186055442	/nfs/dbraw/zinc/05/54/42/186055442.db2.gz	ZQEJPOWYOWWKPG-UHFFFAOYSA-N	0	0	307.335	2.300	10	5		DEBERN
Cc1ccc(S(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)cc1[N+](=O)[O-]	ZINC000152535645	186082763	/nfs/dbraw/zinc/08/27/63/186082763.db2.gz	UQQHRQQRPFMHBM-VXGBXAGGSA-N	0	0	310.375	2.324	10	5		DEBERN
CCNc1cc(N[C@H]2CCCS(=O)(=O)C2)cc([N+](=O)[O-])c1	ZINC000155787007	186112528	/nfs/dbraw/zinc/11/25/28/186112528.db2.gz	KDBFCBLPAQLYSV-JTQLQIEISA-N	0	0	313.379	2.016	10	5		DEBERN
CCN(C(=O)Cn1cc([N+](=O)[O-])cc(C)c1=O)C1CCCCC1	ZINC000155919792	186123845	/nfs/dbraw/zinc/12/38/45/186123845.db2.gz	WUCIPYCAIJYZDY-UHFFFAOYSA-N	0	0	321.377	2.246	10	5		DEBERN
CCc1c(N)nnn1-c1cc([N+](=O)[O-])ccc1Br	ZINC000159533894	186125682	/nfs/dbraw/zinc/12/56/82/186125682.db2.gz	JVMOUBHQRUVMII-UHFFFAOYSA-N	0	0	312.127	2.083	10	5		DEBERN
C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)C1	ZINC000164259344	186153936	/nfs/dbraw/zinc/15/39/36/186153936.db2.gz	KCZRJXUUBWCZSO-RKDXNWHRSA-N	0	0	302.327	2.153	10	5		DEBERN
CCc1ccc(C(=O)N2CCN3CCCC[C@H]3C2)cc1[N+](=O)[O-]	ZINC000173349275	186179750	/nfs/dbraw/zinc/17/97/50/186179750.db2.gz	WYGFBNGIIIGKBI-HNNXBMFYSA-N	0	0	317.389	2.468	10	5		DEBERN
CC[C@@H](NC(=O)NOC[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1	ZINC000188043509	186248538	/nfs/dbraw/zinc/24/85/38/186248538.db2.gz	NOHWTWBWTYQKIY-SMDDNHRTSA-N	0	0	323.349	2.313	10	5		DEBERN
C[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCC1	ZINC000172244984	198064648	/nfs/dbraw/zinc/06/46/48/198064648.db2.gz	SXBZSNVCUZEOJU-JTQLQIEISA-N	0	0	305.334	2.228	10	5		DEBERN
CCS(=O)(=O)CCN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1	ZINC000172395032	198090016	/nfs/dbraw/zinc/09/00/16/198090016.db2.gz	JQKJCRDAIMXDRO-NSHDSACASA-N	0	0	300.380	2.022	10	5		DEBERN
O=C(Cc1cccc([N+](=O)[O-])c1)N1CCO[C@H]2CCCC[C@@H]21	ZINC000172826935	198155003	/nfs/dbraw/zinc/15/50/03/198155003.db2.gz	HBRZZZRTZSNUJY-GJZGRUSLSA-N	0	0	304.346	2.307	10	5		DEBERN
Cc1nn(C)c(C)c1CNC(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000174085245	198288793	/nfs/dbraw/zinc/28/87/93/198288793.db2.gz	UGKSKNZNFDVKOO-UHFFFAOYSA-N	0	0	308.363	2.245	10	5		DEBERN
Cc1ccc2c(c1)[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)C2	ZINC000182219388	199405509	/nfs/dbraw/zinc/40/55/09/199405509.db2.gz	AYLIHLGSICYMQX-MEDUHNTESA-N	0	0	314.345	2.149	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)C1CC1	ZINC000030377469	354123703	/nfs/dbraw/zinc/12/37/03/354123703.db2.gz	NBUCDFWSLYDCFQ-VIFPVBQESA-N	0	0	314.363	2.022	10	5		DEBERN
Cc1cc(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(C)[nH]1	ZINC000618262359	363435393	/nfs/dbraw/zinc/43/53/93/363435393.db2.gz	GFIYWYGZCVBEEM-UHFFFAOYSA-N	0	0	313.317	2.346	10	5		DEBERN
Cc1nccc(CSCc2ccc(C(N)=O)cc2[N+](=O)[O-])n1	ZINC000359117028	283075296	/nfs/dbraw/zinc/07/52/96/283075296.db2.gz	ILLHBIYXWKHIRD-UHFFFAOYSA-N	0	0	318.358	2.226	10	5		DEBERN
COc1cc([N+](=O)[O-])ccc1OCc1nnc(C(C)C)n1C	ZINC000195196273	356250741	/nfs/dbraw/zinc/25/07/41/356250741.db2.gz	XCXVOSHBEZXSSC-UHFFFAOYSA-N	0	0	306.322	2.434	10	5		DEBERN
COc1cccc(C(=O)NCc2cccc(C)n2)c1[N+](=O)[O-]	ZINC000195436909	356254360	/nfs/dbraw/zinc/25/43/60/356254360.db2.gz	LRRACSSTBFYRBB-UHFFFAOYSA-N	0	0	301.302	2.237	10	5		DEBERN
Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000081582607	192297128	/nfs/dbraw/zinc/29/71/28/192297128.db2.gz	BZIAWKAZGFWRHO-CYBMUJFWSA-N	0	0	315.333	2.068	10	5		DEBERN
Cc1cc(N2C[C@@H](F)C[C@H]2CO)c2cccc([N+](=O)[O-])c2n1	ZINC000585785672	357355742	/nfs/dbraw/zinc/35/57/42/357355742.db2.gz	UAKBPWXKEAYHTC-QWRGUYRKSA-N	0	0	305.309	2.361	10	5		DEBERN
Cc1cnn(CCNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)c1	ZINC000179586582	199059761	/nfs/dbraw/zinc/05/97/61/199059761.db2.gz	CGIDGAHREUPPBD-UHFFFAOYSA-N	0	0	316.361	2.455	10	5		DEBERN
CNC(=O)[C@@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000171988319	283397553	/nfs/dbraw/zinc/39/75/53/283397553.db2.gz	VWOSWSKANUOTNR-JTQLQIEISA-N	0	0	317.267	2.328	10	5		DEBERN
CO[C@@H]1CN(C(=O)NCc2ccccc2[N+](=O)[O-])CC[C@H]1C	ZINC000187352291	200100021	/nfs/dbraw/zinc/10/00/21/200100021.db2.gz	CXJZYJHOZIFLSC-BXUZGUMPSA-N	0	0	307.350	2.161	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CCO)c1ccco1	ZINC000187811633	200160435	/nfs/dbraw/zinc/16/04/35/200160435.db2.gz	OYMFSOXWMZTDCJ-ZDUSSCGKSA-N	0	0	304.302	2.350	10	5		DEBERN
C[C@@H](C1CC1)n1nccc1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000188376018	200235801	/nfs/dbraw/zinc/23/58/01/200235801.db2.gz	YJDZHPZWONFAQF-QMMMGPOBSA-N	0	0	317.305	2.115	10	5		DEBERN
CC(C)C[C@H](CO)N(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1	ZINC000188487070	200254738	/nfs/dbraw/zinc/25/47/38/200254738.db2.gz	DULNPWJLMGOERT-OAHLLOKOSA-N	0	0	323.393	2.186	10	5		DEBERN
CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC1(CO)CC1	ZINC000188959891	200328150	/nfs/dbraw/zinc/32/81/50/200328150.db2.gz	MCKNVEKVWSYSLJ-UHFFFAOYSA-N	0	0	316.304	2.401	10	5		DEBERN
CCCN1CCCN(Cc2ccc([N+](=O)[O-])cc2C)CC1=O	ZINC000189201076	200363119	/nfs/dbraw/zinc/36/31/19/200363119.db2.gz	SUKSLLWLWOWKIC-UHFFFAOYSA-N	0	0	305.378	2.348	10	5		DEBERN
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(F)cc1F)C2	ZINC000005973987	181303049	/nfs/dbraw/zinc/30/30/49/181303049.db2.gz	WOZZMKNJHPMKLM-JTQLQIEISA-N	0	0	311.244	2.047	10	5		DEBERN
COC(=O)CC1(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCCC1	ZINC000193908096	201143368	/nfs/dbraw/zinc/14/33/68/201143368.db2.gz	HSPSAORTMHQETR-UHFFFAOYSA-N	0	0	320.345	2.129	10	5		DEBERN
C[C@@H](C(=O)N1CCC(=O)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F	ZINC000193940412	201150256	/nfs/dbraw/zinc/15/02/56/201150256.db2.gz	OOXIASPCYZMLSP-NXEZZACHSA-N	0	0	308.309	2.275	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(NCC(C)(C)N2CCOCC2)n1	ZINC000611615504	361644153	/nfs/dbraw/zinc/64/41/53/361644153.db2.gz	LRQLNYAWDDJKRP-UHFFFAOYSA-N	0	0	308.382	2.129	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC(=O)N(C(C)(C)C)C2)n1	ZINC000611616765	361645249	/nfs/dbraw/zinc/64/52/49/361645249.db2.gz	LTXAOUAJRRHFAQ-LLVKDONJSA-N	0	0	306.366	2.418	10	5		DEBERN
C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCOCC2(CC2)C1	ZINC000611813242	361688649	/nfs/dbraw/zinc/68/86/49/361688649.db2.gz	PJTLLSPGGOHNHZ-LBPRGKRZSA-N	0	0	319.361	2.034	10	5		DEBERN
CO[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@@H]1C	ZINC000194827285	201295676	/nfs/dbraw/zinc/29/56/76/201295676.db2.gz	PQKSKQUOVMJDLC-HZMBPMFUSA-N	0	0	309.322	2.360	10	5		DEBERN
Cc1ccncc1N1CCN(c2nccc(C)c2[N+](=O)[O-])CC1	ZINC000619589511	363835480	/nfs/dbraw/zinc/83/54/80/363835480.db2.gz	KIOHLGREKOJMKX-UHFFFAOYSA-N	0	0	313.361	2.328	10	5		DEBERN
COC(=O)[C@H](N)CCSCc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000093633098	193277323	/nfs/dbraw/zinc/27/73/23/193277323.db2.gz	FRJXRCSRSQLLLL-SNVBAGLBSA-N	0	0	318.782	2.372	10	5		DEBERN
CCN(CC(C)(C)O)C(=O)c1c(F)ccc([N+](=O)[O-])c1F	ZINC000094190783	193348338	/nfs/dbraw/zinc/34/83/38/193348338.db2.gz	FZOHZSVNZIXHPB-UHFFFAOYSA-N	0	0	302.277	2.106	10	5		DEBERN
O=C1C(=O)N(Cc2cnc(Cl)s2)c2ccc([N+](=O)[O-])cc21	ZINC000094194978	193348827	/nfs/dbraw/zinc/34/88/27/193348827.db2.gz	XJERGQUFNXPEMJ-UHFFFAOYSA-N	0	0	323.717	2.434	10	5		DEBERN
CNc1cc(C)c(S(=O)(=O)N[C@@H](C)C(C)C)cc1[N+](=O)[O-]	ZINC000094780479	193397973	/nfs/dbraw/zinc/39/79/73/193397973.db2.gz	MWIFLZPVDQWAGD-JTQLQIEISA-N	0	0	315.395	2.268	10	5		DEBERN
CC[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(NC)cc1C	ZINC000094780642	193397981	/nfs/dbraw/zinc/39/79/81/193397981.db2.gz	JQMPZPMOVNVPDS-VIFPVBQESA-N	0	0	315.395	2.269	10	5		DEBERN
CCCCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1C	ZINC000094780377	193398021	/nfs/dbraw/zinc/39/80/21/193398021.db2.gz	OZUZEMDBQWGHIO-UHFFFAOYSA-N	0	0	315.395	2.296	10	5		DEBERN
CC1(C)CCN(C(=O)c2cc(Cl)c(NN)c([N+](=O)[O-])c2)C1	ZINC000094810985	193399769	/nfs/dbraw/zinc/39/97/69/193399769.db2.gz	UZQVOXCLYJAAGM-UHFFFAOYSA-N	0	0	312.757	2.406	10	5		DEBERN
CC(=O)c1ccc(N2CC[C@@](O)(C(F)(F)F)C2)c([N+](=O)[O-])c1	ZINC000266059582	205065632	/nfs/dbraw/zinc/06/56/32/205065632.db2.gz	YSVHBDBDYSBKDA-LBPRGKRZSA-N	0	0	318.251	2.301	10	5		DEBERN
O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCCCCO1	ZINC000530523735	284434737	/nfs/dbraw/zinc/43/47/37/284434737.db2.gz	VIUNKCOJDKOSFU-UHFFFAOYSA-N	0	0	317.301	2.406	10	5		DEBERN
Cc1cccc([N+](=O)[O-])c1N1C[C@@H](C)[C@H](N2CCOCC2)C1	ZINC000267518350	206120863	/nfs/dbraw/zinc/12/08/63/206120863.db2.gz	FCUZOOIEHAREGI-UKRRQHHQSA-N	0	0	305.378	2.060	10	5		DEBERN
CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCCC1CC1	ZINC000531062500	284504858	/nfs/dbraw/zinc/50/48/58/284504858.db2.gz	RNVXMIQBYVHOBX-LBPRGKRZSA-N	0	0	323.397	2.134	10	5		DEBERN
Cn1cnc([N+](=O)[O-])c1N1CCC[C@H](CC(=O)OC(C)(C)C)C1	ZINC000531601015	284584527	/nfs/dbraw/zinc/58/45/27/284584527.db2.gz	HIVADPNCHVYGPT-LLVKDONJSA-N	0	0	324.381	2.277	10	5		DEBERN
CCNc1ncnc(Nc2ccc(C(=O)OC)cc2)c1[N+](=O)[O-]	ZINC000040596362	183107331	/nfs/dbraw/zinc/10/73/31/183107331.db2.gz	IUDRUXOXRTWXAY-UHFFFAOYSA-N	0	0	317.305	2.347	10	5		DEBERN
CCNc1ncnc(Nc2ccccc2C(=O)OC)c1[N+](=O)[O-]	ZINC000040596272	183107568	/nfs/dbraw/zinc/10/75/68/183107568.db2.gz	ASIADJBEJSZKLY-UHFFFAOYSA-N	0	0	317.305	2.347	10	5		DEBERN
O=C(c1ccco1)N1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1	ZINC000302862194	284719509	/nfs/dbraw/zinc/71/95/09/284719509.db2.gz	QXKNFEZANMLEAP-UHFFFAOYSA-N	0	0	319.292	2.289	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@](C)(N)C(F)(F)F	ZINC000159766590	197362662	/nfs/dbraw/zinc/36/26/62/197362662.db2.gz	CYEHKWMOBIPHKK-LLVKDONJSA-N	0	0	305.256	2.430	10	5		DEBERN
C[C@H](Nc1[nH]cnc(=NN)c1[N+](=O)[O-])c1cccc(Cl)c1	ZINC000159505159	197359099	/nfs/dbraw/zinc/35/90/99/197359099.db2.gz	DYGMQSZZPSOWEX-ZETCQYMHSA-N	0	0	308.729	2.497	10	5		DEBERN
O=C1OCCN1Cc1ccc(Br)c([N+](=O)[O-])c1	ZINC000159437208	197353540	/nfs/dbraw/zinc/35/35/40/197353540.db2.gz	QGFBBBUXEFUMCX-UHFFFAOYSA-N	0	0	301.096	2.310	10	5		DEBERN
COc1ccc(CN2CCC[C@H](n3cncn3)C2)cc1[N+](=O)[O-]	ZINC000105898873	194164138	/nfs/dbraw/zinc/16/41/38/194164138.db2.gz	CHUALQWDXKTWOI-ZDUSSCGKSA-N	0	0	317.349	2.032	10	5		DEBERN
CC(C)OCCCNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-]	ZINC000050037824	183768505	/nfs/dbraw/zinc/76/85/05/183768505.db2.gz	ZGTVIZIKGFSEIQ-UHFFFAOYSA-N	0	0	302.277	2.418	10	5		DEBERN
CCNc1ccc(S(=O)(=O)N[C@H](C)C(C)C)c([N+](=O)[O-])c1	ZINC000050650735	183794424	/nfs/dbraw/zinc/79/44/24/183794424.db2.gz	SDJRIABETFRKIK-SNVBAGLBSA-N	0	0	315.395	2.349	10	5		DEBERN
CCNc1c(Cl)cc(C(=O)N[C@H](C)COC)cc1[N+](=O)[O-]	ZINC000050719639	183802000	/nfs/dbraw/zinc/80/20/00/183802000.db2.gz	VXDCHLFBSTZSSD-MRVPVSSYSA-N	0	0	315.757	2.445	10	5		DEBERN
CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCC1	ZINC000052215086	183854437	/nfs/dbraw/zinc/85/44/37/183854437.db2.gz	NSRYUDYBAHMEFE-UHFFFAOYSA-N	0	0	313.379	2.248	10	5		DEBERN
CC[C@@H](C)[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000057102664	184026821	/nfs/dbraw/zinc/02/68/21/184026821.db2.gz	RIUGEFHKXGEVRA-ZJUUUORDSA-N	0	0	316.379	2.316	10	5		DEBERN
CC[C@@H](C)[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000057102662	184026979	/nfs/dbraw/zinc/02/69/79/184026979.db2.gz	RIUGEFHKXGEVRA-NXEZZACHSA-N	0	0	316.379	2.316	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])cc1)N1N=CC[C@@]1(O)c1ccccc1	ZINC000059366463	184137564	/nfs/dbraw/zinc/13/75/64/184137564.db2.gz	URYFNTXXHNLHMJ-MRXNPFEDSA-N	0	0	311.297	2.272	10	5		DEBERN
CCOC(=O)[C@@H](CCOc1cc(Cl)ccc1[N+](=O)[O-])NC	ZINC000062595819	184244344	/nfs/dbraw/zinc/24/43/44/184244344.db2.gz	YHKHPSZWECMSTD-SNVBAGLBSA-N	0	0	316.741	2.168	10	5		DEBERN
CCC[NH2+][C@](C)(COc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-]	ZINC000069508284	184520873	/nfs/dbraw/zinc/52/08/73/184520873.db2.gz	RJCQIXQFWPRBGX-CYBMUJFWSA-N	0	0	316.741	2.470	10	5		DEBERN
Cc1cnn(CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1	ZINC000117812461	194850930	/nfs/dbraw/zinc/85/09/30/194850930.db2.gz	VSELVJAMVMVYRX-UHFFFAOYSA-N	0	0	308.725	2.183	10	5		DEBERN
CCCn1c(=O)[nH]nc1Sc1cc(NC)cc([N+](=O)[O-])c1	ZINC000158863123	197306971	/nfs/dbraw/zinc/30/69/71/197306971.db2.gz	GQSCWJGGWWTQLM-UHFFFAOYSA-N	0	0	309.351	2.083	10	5		DEBERN
COc1cccc(OCCn2cc([N+](=O)[O-])cc(C)c2=O)c1	ZINC000120273815	195133227	/nfs/dbraw/zinc/13/32/27/195133227.db2.gz	RUTMENDSLKFKPC-UHFFFAOYSA-N	0	0	304.302	2.153	10	5		DEBERN
CNC(=O)[C@@H](C)Nc1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000158116237	197244482	/nfs/dbraw/zinc/24/44/82/197244482.db2.gz	WHIQVBFADZUYDQ-RXMQYKEDSA-N	0	0	320.118	2.043	10	5		DEBERN
CCSCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1NN	ZINC000157334321	197179847	/nfs/dbraw/zinc/17/98/47/197179847.db2.gz	HDCBMFHIBUWHBB-SECBINFHSA-N	0	0	312.395	2.142	10	5		DEBERN
COc1cnccc1[C@@H](C)NC(=O)c1ccccc1[N+](=O)[O-]	ZINC000189620310	533139566	/nfs/dbraw/zinc/13/95/66/533139566.db2.gz	OSYAZRHBUUNSKO-SNVBAGLBSA-N	0	0	301.302	2.489	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)C(C)C	ZINC000120832913	195246682	/nfs/dbraw/zinc/24/66/82/195246682.db2.gz	HVVUNVWJBZZLHP-LLVKDONJSA-N	0	0	307.350	2.311	10	5		DEBERN
O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H](O)CC1	ZINC000294980050	224355684	/nfs/dbraw/zinc/35/56/84/224355684.db2.gz	UDEQGWAOHWDEBW-NSHDSACASA-N	0	0	303.318	2.063	10	5		DEBERN
C[C@@]1(CNC(=O)c2cc(N)c(F)cc2[N+](=O)[O-])CCCS1	ZINC000124642967	195663724	/nfs/dbraw/zinc/66/37/24/195663724.db2.gz	CGVWBXZGXUQRAD-ZDUSSCGKSA-N	0	0	313.354	2.332	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1c1nncn1C	ZINC000120431158	291995258	/nfs/dbraw/zinc/99/52/58/291995258.db2.gz	JUBRIXGKBSSQBD-CYBMUJFWSA-N	0	0	315.333	2.009	10	5		DEBERN
COc1cccc(C(=O)Cn2cc([N+](=O)[O-])cc(Cl)c2=O)c1	ZINC000357479979	133080285	/nfs/dbraw/zinc/08/02/85/133080285.db2.gz	UMJFEUCNOMLMQS-UHFFFAOYSA-N	0	0	322.704	2.301	10	5		DEBERN
CCOc1ccc(C(=O)NC[C@@H](OC)C2CC2)cc1[N+](=O)[O-]	ZINC000358119376	133122394	/nfs/dbraw/zinc/12/23/94/133122394.db2.gz	JUVKNVAFHWUKGG-CQSZACIVSA-N	0	0	308.334	2.148	10	5		DEBERN
Cn1c2ccccc2n(CCOc2ccccc2[N+](=O)[O-])c1=O	ZINC000360277537	133173142	/nfs/dbraw/zinc/17/31/42/133173142.db2.gz	CWLFREBDCSFHFF-UHFFFAOYSA-N	0	0	313.313	2.327	10	5		DEBERN
CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2ncnn21	ZINC000362345966	133225405	/nfs/dbraw/zinc/22/54/05/133225405.db2.gz	RMOZSZHJQBYLSW-UHFFFAOYSA-N	0	0	311.301	2.452	10	5		DEBERN
CC[C@@H](C)[C@H](C)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000362611006	133241554	/nfs/dbraw/zinc/24/15/54/133241554.db2.gz	PNQYJPNZYGPXKE-MNOVXSKESA-N	0	0	322.361	2.459	10	5		DEBERN
C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cc([N+](=O)[O-])cn1C	ZINC000548421100	285735629	/nfs/dbraw/zinc/73/56/29/285735629.db2.gz	OKDLLTOMEGIYQJ-IONNQARKSA-N	0	0	305.256	2.346	10	5		DEBERN
C[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccc(F)c(F)c1	ZINC000180497197	144890956	/nfs/dbraw/zinc/89/09/56/144890956.db2.gz	LZRUVAYRPUXWEE-SSDOTTSWSA-N	0	0	322.271	2.341	10	5		DEBERN
CC(C)c1ccc(C(=O)NCCCn2ccnn2)cc1[N+](=O)[O-]	ZINC000188129834	145007704	/nfs/dbraw/zinc/00/77/04/145007704.db2.gz	UKDMBXKNYZUCFY-UHFFFAOYSA-N	0	0	317.349	2.130	10	5		DEBERN
COc1ccc(OCc2nsc(N(C)C)n2)cc1[N+](=O)[O-]	ZINC000190185973	145038609	/nfs/dbraw/zinc/03/86/09/145038609.db2.gz	RCUYXCYATQDFIH-UHFFFAOYSA-N	0	0	310.335	2.100	10	5		DEBERN
C[C@@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1ncccn1	ZINC000190957059	145051396	/nfs/dbraw/zinc/05/13/96/145051396.db2.gz	TXKQJEBTRFLXTB-JTQLQIEISA-N	0	0	307.331	2.061	10	5		DEBERN
Cc1ccc([C@H](C)NC(=O)[C@@H]2CC(F)(F)CN2)cc1[N+](=O)[O-]	ZINC000263081319	145323343	/nfs/dbraw/zinc/32/33/43/145323343.db2.gz	XOTXEWIKAAJRCQ-ONGXEEELSA-N	0	0	313.304	2.078	10	5		DEBERN
O=[N+]([O-])c1ncn(Cc2nc(-c3cccc(Cl)c3F)no2)n1	ZINC000358947874	147235312	/nfs/dbraw/zinc/23/53/12/147235312.db2.gz	RKABIEMYEXJWLE-UHFFFAOYSA-N	0	0	324.659	2.077	10	5		DEBERN
COC(=O)/C=C/c1ccc(N[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1	ZINC000072063158	401702624	/nfs/dbraw/zinc/70/26/24/401702624.db2.gz	MZXRJDMJJBHEJO-VYPOOZAYSA-N	0	0	320.345	2.496	10	5		DEBERN
O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1cc([N+](=O)[O-])c[nH]c1=O	ZINC000111646989	401719821	/nfs/dbraw/zinc/71/98/21/401719821.db2.gz	JMCJZJPRSZSKRY-AAEUAGOBSA-N	0	0	313.313	2.229	10	5		DEBERN
Cc1cc(=O)n(Cc2nc(C)c3ccccc3n2)cc1[N+](=O)[O-]	ZINC000128591082	401784295	/nfs/dbraw/zinc/78/42/95/401784295.db2.gz	XJAAWZYGAFGTJQ-UHFFFAOYSA-N	0	0	310.313	2.365	10	5		DEBERN
CC(=O)c1ccc(N2CCN(C(=O)C(C)C)CC2)c([N+](=O)[O-])c1	ZINC000015129279	401816633	/nfs/dbraw/zinc/81/66/33/401816633.db2.gz	VZMWGYSJKLYZQB-UHFFFAOYSA-N	0	0	319.361	2.102	10	5		DEBERN
COCc1csc(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)n1	ZINC000115244808	401822031	/nfs/dbraw/zinc/82/20/31/401822031.db2.gz	XXDYIPWSNSRFHX-UHFFFAOYSA-N	0	0	323.330	2.459	10	5		DEBERN
Cc1sc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1[N+](=O)[O-]	ZINC000116113825	401842047	/nfs/dbraw/zinc/84/20/47/401842047.db2.gz	YIPJXFDYLSMQFQ-SNVBAGLBSA-N	0	0	320.374	2.328	10	5		DEBERN
Cc1ccc(NC(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cc1[N+](=O)[O-]	ZINC000119147645	401928697	/nfs/dbraw/zinc/92/86/97/401928697.db2.gz	FMIPDDSRPRZIBI-QWRGUYRKSA-N	0	0	320.349	2.021	10	5		DEBERN
CC(C)(C)NC(=O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1	ZINC000135228533	401931309	/nfs/dbraw/zinc/93/13/09/401931309.db2.gz	KXCZYMMZWYVHQP-UHFFFAOYSA-N	0	0	305.378	2.474	10	5		DEBERN
C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1	ZINC000117741522	401882852	/nfs/dbraw/zinc/88/28/52/401882852.db2.gz	PISSKGJGVNLVLC-NXEZZACHSA-N	0	0	312.753	2.427	10	5		DEBERN
COc1cccc(CCNC(=O)c2cc([N+](=O)[O-])cnc2C)c1	ZINC000048299550	401997913	/nfs/dbraw/zinc/99/79/13/401997913.db2.gz	HGUUOFPFVYTVNX-UHFFFAOYSA-N	0	0	315.329	2.279	10	5		DEBERN
O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CCC[C@@H](C(F)(F)F)C1	ZINC000044696665	401947522	/nfs/dbraw/zinc/94/75/22/401947522.db2.gz	RYEIBTRMNDWYOI-BDAKNGLRSA-N	0	0	320.271	2.029	10	5		DEBERN
CC(C)OC[C@@H](O)COc1ccc([N+](=O)[O-])c2cccnc12	ZINC000152562303	402100015	/nfs/dbraw/zinc/10/00/15/402100015.db2.gz	KKKFPEGSXJIUSY-LLVKDONJSA-N	0	0	306.318	2.308	10	5		DEBERN
C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccnc1	ZINC000066327422	402131141	/nfs/dbraw/zinc/13/11/41/402131141.db2.gz	FVFAIGUWXFKOOC-MRVPVSSYSA-N	0	0	313.360	2.091	10	5		DEBERN
CC1(C)CCCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000102934850	402174836	/nfs/dbraw/zinc/17/48/36/402174836.db2.gz	UKMMAGOZXZXVGV-UHFFFAOYSA-N	0	0	302.327	2.297	10	5		DEBERN
CCC[NH+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1	ZINC000103086427	402178371	/nfs/dbraw/zinc/17/83/71/402178371.db2.gz	PIEBVAYQMLSDHQ-UHFFFAOYSA-N	0	0	316.361	2.244	10	5		DEBERN
CCOC(=O)CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C	ZINC000154474830	402214714	/nfs/dbraw/zinc/21/47/14/402214714.db2.gz	XFCUALXLWIMLSX-CQSZACIVSA-N	0	0	324.377	2.292	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc(N(C)C)nc1	ZINC000125688778	402245515	/nfs/dbraw/zinc/24/55/15/402245515.db2.gz	WHPZNPXRNFJOLM-UHFFFAOYSA-N	0	0	301.306	2.012	10	5		DEBERN
CCc1nc2n(n1)C[C@@H](Nc1ccc([N+](=O)[O-])c(C)c1)CC2	ZINC000108948580	402265098	/nfs/dbraw/zinc/26/50/98/402265098.db2.gz	MQALOGIWLPIOKC-LBPRGKRZSA-N	0	0	301.350	2.484	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(c2cc[nH]n2)CC1	ZINC000125824457	402252306	/nfs/dbraw/zinc/25/23/06/402252306.db2.gz	JZHNBKBPGFASLL-UHFFFAOYSA-N	0	0	315.333	2.041	10	5		DEBERN
Cc1nn(C)c(N2CCc3c(nc(C(C)C)n3C)C2)c1[N+](=O)[O-]	ZINC000108952492	402265564	/nfs/dbraw/zinc/26/55/64/402265564.db2.gz	SLGZOOCATGNJBA-UHFFFAOYSA-N	0	0	318.381	2.056	10	5		DEBERN
C[C@]1(C(N)=O)CCCCN1Cc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000185886217	402385672	/nfs/dbraw/zinc/38/56/72/402385672.db2.gz	TUDCSCAJYOMXFQ-CQSZACIVSA-N	0	0	311.769	2.478	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2ccco2)C1	ZINC000176805368	402338749	/nfs/dbraw/zinc/33/87/49/402338749.db2.gz	LHYGQVARVNRLSF-CQSZACIVSA-N	0	0	317.301	2.105	10	5		DEBERN
O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@H](Oc2ccccn2)C1	ZINC000238965962	402441115	/nfs/dbraw/zinc/44/11/15/402441115.db2.gz	YYJOAJXPKGTBRK-GFCCVEGCSA-N	0	0	313.313	2.283	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(N2CC[C@H](Oc3cccnc3)C2)n1	ZINC000178267218	402478232	/nfs/dbraw/zinc/47/82/32/402478232.db2.gz	ZWRBVIGUUMRTLT-ZDUSSCGKSA-N	0	0	300.318	2.351	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccn2ccnc2c1	ZINC000178356229	402488636	/nfs/dbraw/zinc/48/86/36/402488636.db2.gz	VDCWFKLQLYWDLI-UHFFFAOYSA-N	0	0	310.313	2.481	10	5		DEBERN
CO[C@H]1C[C@@H](c2nc(C)no2)N(c2ccccc2[N+](=O)[O-])C1	ZINC000190089540	402575172	/nfs/dbraw/zinc/57/51/72/402575172.db2.gz	NMQAMIXRLVZXOR-GWCFXTLKSA-N	0	0	304.306	2.253	10	5		DEBERN
CC(C)(C)C1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1	ZINC000172298399	402648518	/nfs/dbraw/zinc/64/85/18/402648518.db2.gz	XZLIKGCOJXSRFH-UHFFFAOYSA-N	0	0	321.377	2.041	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)C(C)C	ZINC000172530678	402660947	/nfs/dbraw/zinc/66/09/47/402660947.db2.gz	FAAFNGIFMUPQGL-LLVKDONJSA-N	0	0	307.350	2.250	10	5		DEBERN
Cc1ccc2c(c1)[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)C2	ZINC000182219373	402673223	/nfs/dbraw/zinc/67/32/23/402673223.db2.gz	AYLIHLGSICYMQX-BZNIZROVSA-N	0	0	314.345	2.149	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1CN1CC(=O)N[C@H]2CCCC[C@@H]21	ZINC000183309476	402754920	/nfs/dbraw/zinc/75/49/20/402754920.db2.gz	SQHHDOWCNIANMV-GJZGRUSLSA-N	0	0	303.362	2.146	10	5		DEBERN
CC(C)OC[C@H](O)Cn1ccnc1-c1ccc([N+](=O)[O-])cc1	ZINC000193692448	402775437	/nfs/dbraw/zinc/77/54/37/402775437.db2.gz	VXJPIDFEWJRCEN-CQSZACIVSA-N	0	0	305.334	2.244	10	5		DEBERN
COC(=O)c1cc(N2CCC[C@@H](OC)C2)cc(C)c1[N+](=O)[O-]	ZINC000268486352	403087412	/nfs/dbraw/zinc/08/74/12/403087412.db2.gz	MSBQSVRHBKTPMQ-GFCCVEGCSA-N	0	0	308.334	2.305	10	5		DEBERN
CC(=O)c1cc([N+](=O)[O-])ccc1N1CCO[C@@]2(CCCOC2)C1	ZINC000286686093	403542125	/nfs/dbraw/zinc/54/21/25/403542125.db2.gz	XGJUQLVVUNZYHV-INIZCTEOSA-N	0	0	320.345	2.183	10	5		DEBERN
CCOc1cc(N2CC[C@](O)(C(F)(F)F)C2)ccc1[N+](=O)[O-]	ZINC000301598164	403652694	/nfs/dbraw/zinc/65/26/94/403652694.db2.gz	TWFUKJDEQIUKJD-GFCCVEGCSA-N	0	0	320.267	2.497	10	5		DEBERN
O=[N+]([O-])c1ccc(N2CCN(c3ccnc(Cl)c3)CC2)nc1	ZINC000301611060	403654660	/nfs/dbraw/zinc/65/46/60/403654660.db2.gz	DCYVOLVTYDZSJK-UHFFFAOYSA-N	0	0	319.752	2.365	10	5		DEBERN
CNC(=O)[C@H](Nc1ccc2cc([N+](=O)[O-])ccc2n1)C(C)C	ZINC000301799756	403681819	/nfs/dbraw/zinc/68/18/19/403681819.db2.gz	VGZYGCAYYUBZIV-CQSZACIVSA-N	0	0	302.334	2.326	10	5		DEBERN
CC(=O)c1ccc([N+](=O)[O-])cc1N1CCO[C@]2(CCCOC2)C1	ZINC000367462003	405056783	/nfs/dbraw/zinc/05/67/83/405056783.db2.gz	BMTQUYWKTHRDPM-MRXNPFEDSA-N	0	0	320.345	2.183	10	5		DEBERN
C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1	ZINC000408030135	405093414	/nfs/dbraw/zinc/09/34/14/405093414.db2.gz	KEDURGGMJKRFKM-INWMFGNUSA-N	0	0	321.377	2.469	10	5		DEBERN
C[C@@H]1CCOCCN1C(=O)CCOc1ccccc1[N+](=O)[O-]	ZINC000367661283	405117294	/nfs/dbraw/zinc/11/72/94/405117294.db2.gz	LGLDEEWPPNBRRD-GFCCVEGCSA-N	0	0	308.334	2.001	10	5		DEBERN
C[C@H]1CCOCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1	ZINC000367741940	405141670	/nfs/dbraw/zinc/14/16/70/405141670.db2.gz	WQENVVHSQYHBGG-NSHDSACASA-N	0	0	318.333	2.256	10	5		DEBERN
CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H](C(C)(C)C)[C@H](O)C1	ZINC000408332114	405175528	/nfs/dbraw/zinc/17/55/28/405175528.db2.gz	UVHFXPQOTCDADY-VXGBXAGGSA-N	0	0	310.398	2.353	10	5		DEBERN
CCOc1ccc(C(=O)N[C@H](C)CCCCO)cc1[N+](=O)[O-]	ZINC000452989044	405270829	/nfs/dbraw/zinc/27/08/29/405270829.db2.gz	SGGBMTLDXPAKPA-LLVKDONJSA-N	0	0	310.350	2.274	10	5		DEBERN
C[C@H]1C[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1	ZINC000448699790	405438443	/nfs/dbraw/zinc/43/84/43/405438443.db2.gz	NHVOSKRGQJVVBF-CMPLNLGQSA-N	0	0	300.318	2.166	10	5		DEBERN
O=[N+]([O-])c1ccc(OCc2nnnn2C2CC2)c2cccnc21	ZINC000471896508	406127127	/nfs/dbraw/zinc/12/71/27/406127127.db2.gz	OZNCNYLYOXAEDL-UHFFFAOYSA-N	0	0	312.289	2.043	10	5		DEBERN
COc1ccc(NC(=O)N[C@@H]2CC[C@H](OC)C2)cc1[N+](=O)[O-]	ZINC000471948774	406131342	/nfs/dbraw/zinc/13/13/42/406131342.db2.gz	NBJOAEPMUWCWHQ-KOLCDFICSA-N	0	0	309.322	2.292	10	5		DEBERN
CNS(=O)(=O)c1ccc(NCCCC2CC2)c([N+](=O)[O-])c1	ZINC000522902911	406413445	/nfs/dbraw/zinc/41/34/45/406413445.db2.gz	QWAKAHYAOUGQAL-UHFFFAOYSA-N	0	0	313.379	2.105	10	5		DEBERN
NC(=O)c1cc(Br)c([N+](=O)[O-])c(OC(F)F)c1	ZINC000575682833	406818131	/nfs/dbraw/zinc/81/81/31/406818131.db2.gz	DYOKGQRDAOMNQD-UHFFFAOYSA-N	0	0	311.038	2.058	10	5		DEBERN
CC(=O)N1CSC[C@H]1C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C	ZINC000129420688	196046772	/nfs/dbraw/zinc/04/67/72/196046772.db2.gz	IQLBRUDZGYLRRX-LBPRGKRZSA-N	0	0	323.374	2.072	10	5		DEBERN
CCNc1cc(NC2CCS(=O)(=O)CC2)cc([N+](=O)[O-])c1	ZINC000129538882	196055995	/nfs/dbraw/zinc/05/59/95/196055995.db2.gz	ZZJJWVOJDINIRO-UHFFFAOYSA-N	0	0	313.379	2.016	10	5		DEBERN
Cc1cccc(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)n1	ZINC000130522623	196086801	/nfs/dbraw/zinc/08/68/01/196086801.db2.gz	VIWKSLDNMOOHRA-UHFFFAOYSA-N	0	0	311.301	2.105	10	5		DEBERN
CC[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131173503	196147056	/nfs/dbraw/zinc/14/70/56/196147056.db2.gz	UBPONNFNTXEXTF-SECBINFHSA-N	0	0	302.327	2.297	10	5		DEBERN
CNc1cc(S(=O)(=O)NC2CCCCC2)ccc1[N+](=O)[O-]	ZINC000131689975	196190917	/nfs/dbraw/zinc/19/09/17/196190917.db2.gz	PDPVIOFIINMACL-UHFFFAOYSA-N	0	0	313.379	2.248	10	5		DEBERN
C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)C1	ZINC000132011580	196218998	/nfs/dbraw/zinc/21/89/98/196218998.db2.gz	CEHWFVBSJLZPPV-RKDXNWHRSA-N	0	0	302.327	2.201	10	5		DEBERN
CC[C@H](C)[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(NC)c1	ZINC000132123728	196228501	/nfs/dbraw/zinc/22/85/01/196228501.db2.gz	IUKNLFSYEFUPMG-UWVGGRQHSA-N	0	0	315.395	2.349	10	5		DEBERN
C[C@H]1CCCN(S(=O)(=O)N(C)c2cccc([N+](=O)[O-])c2)C1	ZINC000132356076	196248962	/nfs/dbraw/zinc/24/89/62/196248962.db2.gz	NADOQVVEVWMOLG-NSHDSACASA-N	0	0	313.379	2.008	10	5		DEBERN
CCS(=O)(=O)C[C@H](C)Nc1c(F)cc(F)cc1[N+](=O)[O-]	ZINC000132290113	196242845	/nfs/dbraw/zinc/24/28/45/196242845.db2.gz	LDWIYKHOQGZZMC-ZETCQYMHSA-N	0	0	308.306	2.108	10	5		DEBERN
CCCC[C@H](C(=O)OC)n1cc(Br)c([N+](=O)[O-])n1	ZINC000132467974	196258212	/nfs/dbraw/zinc/25/82/12/196258212.db2.gz	BGIIRQXPZFSFCJ-MRVPVSSYSA-N	0	0	320.143	2.458	10	5		DEBERN
CSCC[C@@H](C)NC(=O)c1cc(N)c(F)cc1[N+](=O)[O-]	ZINC000132648929	196273373	/nfs/dbraw/zinc/27/33/73/196273373.db2.gz	NGGVIFPNVLQDCQ-SSDOTTSWSA-N	0	0	301.343	2.188	10	5		DEBERN
C[C@H](CCO)NC(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1	ZINC000132860006	196290813	/nfs/dbraw/zinc/29/08/13/196290813.db2.gz	BNYILKXHNRRDOO-ZCFIWIBFSA-N	0	0	307.133	2.402	10	5		DEBERN
CC(=O)c1cnc(NC(=O)CNc2ccccc2[N+](=O)[O-])s1	ZINC000135435762	196474284	/nfs/dbraw/zinc/47/42/84/196474284.db2.gz	GZIVCIQRTXYOOG-UHFFFAOYSA-N	0	0	320.330	2.305	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H](OC)C2(CC)CC)n1	ZINC000191675237	225114755	/nfs/dbraw/zinc/11/47/55/225114755.db2.gz	LIZAWLNETHIXSX-VXGBXAGGSA-N	0	0	324.381	2.135	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCCO[C@H]2CCCC[C@H]2C)n1	ZINC000191773388	225117438	/nfs/dbraw/zinc/11/74/38/225117438.db2.gz	HKZCSSMGLMODCV-YPMHNXCESA-N	0	0	324.381	2.136	10	5		DEBERN
COC(=O)c1cc(C)nc(NC[C@H]2CCC[C@@H]2C)c1[N+](=O)[O-]	ZINC000553559540	424877418	/nfs/dbraw/zinc/87/74/18/424877418.db2.gz	NMAZJQISJWFHLL-GXSJLCMTSA-N	0	0	307.350	2.933	10	5		DEBERN
O=C(Nc1cccnn1)c1c([N+](=O)[O-])cccc1C(F)(F)F	ZINC000448314482	425057277	/nfs/dbraw/zinc/05/72/77/425057277.db2.gz	OLEDHGKWKFJISQ-UHFFFAOYSA-N	0	0	312.207	2.656	10	5		DEBERN
Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N)c2c1C	ZINC000026124105	267361427	/nfs/dbraw/zinc/36/14/27/267361427.db2.gz	GKRIEMXSPRQDAE-UHFFFAOYSA-N	0	0	304.335	2.043	10	5		DEBERN
CN(Cc1ccc(Cl)cc1)C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000029005471	267363190	/nfs/dbraw/zinc/36/31/90/267363190.db2.gz	JXLBHRHYHKSHRS-UHFFFAOYSA-N	0	0	308.725	2.103	10	5		DEBERN
CCCc1n[nH]c(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-]	ZINC000156471679	276294487	/nfs/dbraw/zinc/29/44/87/276294487.db2.gz	WBJPCSZBJZZCLU-NWDGAFQWSA-N	0	0	322.365	2.054	10	5		DEBERN
COC(=O)CCCNC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1	ZINC000184919946	277316498	/nfs/dbraw/zinc/31/64/98/277316498.db2.gz	QVVYBSSFQQDESB-ZHACJKMWSA-N	0	0	306.318	2.068	10	5		DEBERN
CCOc1cccc(N2CCN(C(=O)CC)CC2)c1[N+](=O)[O-]	ZINC000302231582	279971917	/nfs/dbraw/zinc/97/19/17/279971917.db2.gz	SCPJRPGRWWXTCM-UHFFFAOYSA-N	0	0	307.350	2.052	10	5		DEBERN
CC(C)CC[C@](C)(O)CNC(=O)COc1cccc([N+](=O)[O-])c1	ZINC000075130906	281560150	/nfs/dbraw/zinc/56/01/50/281560150.db2.gz	DCDOPTMYXHDZTB-INIZCTEOSA-N	0	0	324.377	2.277	10	5		DEBERN
C[C@H]1CC[C@H](C)N(c2nc3ccccn3c(=O)c2[N+](=O)[O-])C1	ZINC000301411698	300061315	/nfs/dbraw/zinc/06/13/15/300061315.db2.gz	ADTJNEFBKGFSEV-QWRGUYRKSA-N	0	0	302.334	2.228	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CCOCC3(CCOCC3)C2)n1	ZINC000408181302	301204084	/nfs/dbraw/zinc/20/40/84/301204084.db2.gz	CBHBRZGZBNKLSD-UHFFFAOYSA-N	0	0	321.377	2.240	10	5		DEBERN
COC(=O)c1cnc(NCCOCC2CCC2)c([N+](=O)[O-])c1	ZINC000572545758	325947800	/nfs/dbraw/zinc/94/78/00/325947800.db2.gz	ZOPMZSDBZALAAD-UHFFFAOYSA-N	0	0	309.322	2.005	10	5		DEBERN
CN(Cc1nc2c(s1)CCCC2)c1ncc([N+](=O)[O-])cn1	ZINC000273217953	500775933	/nfs/dbraw/zinc/77/59/33/500775933.db2.gz	UVRLDOIHLOFVCP-UHFFFAOYSA-N	0	0	305.363	2.357	10	5		DEBERN
Cc1nn(CCC(=O)NCCC2CCCC2)c(C)c1[N+](=O)[O-]	ZINC000171429004	526277852	/nfs/dbraw/zinc/27/78/52/526277852.db2.gz	BWDVNKBJFUIKRL-UHFFFAOYSA-N	0	0	308.382	2.495	10	5		DEBERN
CCOc1ccc(C(=O)NCC2(O)CCCC2)cc1[N+](=O)[O-]	ZINC000357629432	535706259	/nfs/dbraw/zinc/70/62/59/535706259.db2.gz	ODVBSCRZQVYNJX-UHFFFAOYSA-N	0	0	308.334	2.028	10	5		DEBERN
COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccccc1[N+](=O)[O-]	ZINC000248773822	536552463	/nfs/dbraw/zinc/55/24/63/536552463.db2.gz	AVHOMDAXNQJNLP-LNSITVRQSA-N	0	0	304.346	2.368	10	5		DEBERN
CC(C)C(=O)N1CCC[C@@H]1C(=O)OCc1cccc([N+](=O)[O-])c1	ZINC000122628616	625087275	/nfs/dbraw/zinc/08/72/75/625087275.db2.gz	ANOYYYLEDNILNG-CQSZACIVSA-N	0	0	320.345	2.285	10	5		DEBERN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NNC1=[NH+]C=C([O-])C1	ZINC000747626149	636452713	/nfs/dbraw/zinc/45/27/13/636452713.db2.gz	VPURMOCCSFJCOB-UHFFFAOYSA-N	0	0	302.212	2.384	10	5		DEBERN
COc1ccc(CC(=O)Oc2c(C)nn(C)c2C)cc1[N+](=O)[O-]	ZINC000741958708	638027634	/nfs/dbraw/zinc/02/76/34/638027634.db2.gz	WERDXPLHFORYNH-UHFFFAOYSA-N	0	0	319.317	2.102	10	5		DEBERN
CCc1ccc(C(=O)OCC(=O)N(C)CC2CC2)cc1[N+](=O)[O-]	ZINC000747012146	638398643	/nfs/dbraw/zinc/39/86/43/638398643.db2.gz	REOOLEASGKBBBZ-UHFFFAOYSA-N	0	0	320.345	2.182	10	5		DEBERN
CC(=O)N1CSC[C@@H]1C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1	ZINC000728167784	639045801	/nfs/dbraw/zinc/04/58/01/639045801.db2.gz	ULFPYVRGNJVZEY-NOZJJQNGSA-N	0	0	324.358	2.120	10	5		DEBERN
C/C(=C\C(=O)NCC(=O)OC(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000752016089	639146515	/nfs/dbraw/zinc/14/65/15/639146515.db2.gz	XXISLKJOJIDDJQ-DHZHZOJOSA-N	0	0	306.318	2.066	10	5		DEBERN
C/C(=C/C(=O)OCC(=O)NC(C)(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000752350742	639174436	/nfs/dbraw/zinc/17/44/36/639174436.db2.gz	VVWAJQAVTRDUTO-LUAWRHEFSA-N	0	0	320.345	2.456	10	5		DEBERN
CCOC(=O)[C@@H](CC1CC1)NC(=O)c1cc(C)ccc1[N+](=O)[O-]	ZINC000752381079	639177678	/nfs/dbraw/zinc/17/76/78/639177678.db2.gz	BNNZRLYOVNBLPR-CYBMUJFWSA-N	0	0	320.345	2.365	10	5		DEBERN
C/C(=C\C(=O)NC[C@H]1COC(C)(C)O1)c1ccc([N+](=O)[O-])cc1	ZINC000752559105	639197454	/nfs/dbraw/zinc/19/74/54/639197454.db2.gz	FSIQHNSXEBHRBO-ZHZWZMEUSA-N	0	0	320.345	2.266	10	5		DEBERN
COc1ccc(OC(=O)Cc2ccc(F)cn2)cc1[N+](=O)[O-]	ZINC000805929442	643872544	/nfs/dbraw/zinc/87/25/44/643872544.db2.gz	FAGHGOPHBAMETI-UHFFFAOYSA-N	0	0	306.249	2.286	10	5		DEBERN
Cc1n[nH]c(C(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)c1[N+](=O)[O-]	ZINC000800581167	645289818	/nfs/dbraw/zinc/28/98/18/645289818.db2.gz	GTWFITSFNFPZFP-LLVKDONJSA-N	0	0	320.736	2.177	10	5		DEBERN
C/C(=C\C(=O)OCCCC(=O)N(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000802984409	645590892	/nfs/dbraw/zinc/59/08/92/645590892.db2.gz	NMFCCQNCBSDPGH-VAWYXSNFSA-N	0	0	320.345	2.410	10	5		DEBERN
CC(C)(C)[C@@H](O)CNC(=O)c1cccc([N+](=O)[O-])c1Cl	ZINC000324277657	647333821	/nfs/dbraw/zinc/33/38/21/647333821.db2.gz	NJOSTQLLSXOTCY-JTQLQIEISA-N	0	0	300.742	2.385	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)CC1(C)OCCO1	ZINC000154408549	648003760	/nfs/dbraw/zinc/00/37/60/648003760.db2.gz	ZWDRJWCRQDMBFW-NSHDSACASA-N	0	0	322.361	2.422	10	5		DEBERN
CC1(C)CCCC[C@@H]1CC(=O)OCCn1cnc([N+](=O)[O-])n1	ZINC000154806406	648105823	/nfs/dbraw/zinc/10/58/23/648105823.db2.gz	XAORWXNSJZOLMG-LLVKDONJSA-N	0	0	310.354	2.336	10	5		DEBERN
CO[C@H]1CCC[C@H](OC(=O)COc2ccccc2[N+](=O)[O-])C1	ZINC000073071055	649601256	/nfs/dbraw/zinc/60/12/56/649601256.db2.gz	MSWOSFXTICOFPR-RYUDHWBXSA-N	0	0	309.318	2.474	10	5		DEBERN
CO[C@@]1(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)CCSC1	ZINC000096364344	684053271	/nfs/dbraw/zinc/05/32/71/684053271.db2.gz	KRTMENBLFOXFGB-CQSZACIVSA-N	0	0	310.375	2.155	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1OC(=O)c1cnn2c1CCCC2	ZINC000125601997	684146876	/nfs/dbraw/zinc/14/68/76/684146876.db2.gz	SFQFKZIWPNMWPN-UHFFFAOYSA-N	0	0	317.301	2.355	10	5		DEBERN
CCO[C@@H]1C[C@@H](OC(=O)CCn2cc([N+](=O)[O-])cn2)C12CCC2	ZINC000130580304	684190245	/nfs/dbraw/zinc/19/02/45/684190245.db2.gz	BYGBSZZQRCEOQL-CHWSQXEVSA-N	0	0	323.349	2.072	10	5		DEBERN
O=C(CCCNc1ccc([N+](=O)[O-])cc1)OCC(=O)C1CC1	ZINC000156241313	684288061	/nfs/dbraw/zinc/28/80/61/684288061.db2.gz	ZXDRIEUZSCCAME-UHFFFAOYSA-N	0	0	306.318	2.309	10	5		DEBERN
COc1ccc(OC(=O)/C=C\c2ccncn2)c([N+](=O)[O-])c1	ZINC000588435390	777179579	/nfs/dbraw/zinc/17/95/79/777179579.db2.gz	JQOSXJRCOYAMAR-DJWKRKHSSA-N	0	0	301.258	2.012	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCCN1CCCC1=O	ZINC000588445166	777199965	/nfs/dbraw/zinc/19/99/65/777199965.db2.gz	NNDSPQKXGJEBNT-VAWYXSNFSA-N	0	0	318.329	2.164	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ncc[nH]1	ZINC000588445680	777201511	/nfs/dbraw/zinc/20/15/11/777201511.db2.gz	JGEZMUOIHVLDKE-ZHACJKMWSA-N	0	0	300.318	2.080	10	5		DEBERN
O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1CC12CC(O)C2	ZINC000724910278	777515681	/nfs/dbraw/zinc/51/56/81/777515681.db2.gz	MGAKJUPXFARCPF-PUDKOPFASA-N	0	0	314.139	2.078	10	5		DEBERN
Cn1nnnc1-c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000075302688	1080238651	/nfs/dbraw/zinc/23/86/51/1080238651.db2.gz	KDXDSXYOPJUOJV-UHFFFAOYSA-N	0	0	324.300	2.038	10	5		DEBERN
CC(C)(C)OC(=O)N1C[C@@H](NCc2cccc([N+](=O)[O-])c2)CO1	ZINC000703311708	1086494085	/nfs/dbraw/zinc/49/40/85/1086494085.db2.gz	QGHKRZLTAHQDIH-GFCCVEGCSA-N	0	0	323.349	2.235	10	5		DEBERN
COc1cc(N)cc(C[S@](=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000164233379	197652748	/nfs/dbraw/zinc/65/27/48/197652748.db2.gz	SLMAXBYWBWCWGA-OAQYLSRUSA-N	0	0	306.343	2.493	10	5		DEBERN
Cc1cnc(OCC(=O)Nc2ccccc2F)c([N+](=O)[O-])c1	ZINC000176706013	282199278	/nfs/dbraw/zinc/19/92/78/282199278.db2.gz	KKSDUOVBDHZIRG-UHFFFAOYSA-N	0	0	305.265	2.455	10	5		DEBERN
CN(CC1CCOCC1)C(=O)c1ccnc(Cl)c1[N+](=O)[O-]	ZINC000088806279	185266201	/nfs/dbraw/zinc/26/62/01/185266201.db2.gz	VHGWKRJQNPRAGT-UHFFFAOYSA-N	0	0	313.741	2.142	10	5		DEBERN
CCCOc1cc(N[C@@H]2C=CS(=O)(=O)C2)ccc1[N+](=O)[O-]	ZINC000088859331	185267351	/nfs/dbraw/zinc/26/73/51/185267351.db2.gz	GWXXEXOFJHZHAC-LLVKDONJSA-N	0	0	312.347	2.106	10	5		DEBERN
CC[C@H](NC(=O)N1CCC[C@H]1CO)c1cccc([N+](=O)[O-])c1	ZINC000090684896	185309444	/nfs/dbraw/zinc/30/94/44/185309444.db2.gz	HCDJGYDKCBQZFE-KBPBESRZSA-N	0	0	307.350	2.212	10	5		DEBERN
CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)Cc1csc(C)n1	ZINC000301098157	529932664	/nfs/dbraw/zinc/93/26/64/529932664.db2.gz	NCXKYPHQYQMREG-UHFFFAOYSA-N	0	0	320.374	2.356	10	5		DEBERN
C[NH2+][C@@](C)(C[C@@H](C)Oc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-]	ZINC000084397874	192428509	/nfs/dbraw/zinc/42/85/09/192428509.db2.gz	XVMJMYGUPBYJNW-OQPBUACISA-N	0	0	316.741	2.468	10	5		DEBERN
CCNc1ccc([N+](=O)[O-])c(S(=O)(=O)NC2CC(C)C2)c1	ZINC000133618972	186000710	/nfs/dbraw/zinc/00/07/10/186000710.db2.gz	HPOANBAMZPWBHO-UHFFFAOYSA-N	0	0	313.379	2.103	10	5		DEBERN
Cc1cc(C(=O)NCc2cccnc2N(C)C)cc([N+](=O)[O-])c1	ZINC000150301685	186056788	/nfs/dbraw/zinc/05/67/88/186056788.db2.gz	UJFRYYISVHKRPQ-UHFFFAOYSA-N	0	0	314.345	2.294	10	5		DEBERN
Cc1cnc(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])cn1	ZINC000155976801	186124983	/nfs/dbraw/zinc/12/49/83/186124983.db2.gz	REUXGZUQRZTSFX-UHFFFAOYSA-N	0	0	306.709	2.277	10	5		DEBERN
C[C@@H]1C[C@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000164259461	186154066	/nfs/dbraw/zinc/15/40/66/186154066.db2.gz	KCZRJXUUBWCZSO-DTWKUNHWSA-N	0	0	302.327	2.153	10	5		DEBERN
Cc1cc(CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)no1	ZINC000172101724	198040021	/nfs/dbraw/zinc/04/00/21/198040021.db2.gz	YKAGTUBOERISBN-SECBINFHSA-N	0	0	301.302	2.412	10	5		DEBERN
CNc1ccc(S(=O)(=O)NCc2ccccc2)cc1[N+](=O)[O-]	ZINC000309555522	539877458	/nfs/dbraw/zinc/87/74/58/539877458.db2.gz	KWXQYLQZFMSVFS-UHFFFAOYSA-N	0	0	321.358	2.115	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC(=O)OC(C)(C)C	ZINC000172966527	198171698	/nfs/dbraw/zinc/17/16/98/198171698.db2.gz	DYZIBXIFASIZHS-UHFFFAOYSA-N	0	0	308.334	2.365	10	5		DEBERN
COC(C)(C)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1	ZINC000173641317	198235483	/nfs/dbraw/zinc/23/54/83/198235483.db2.gz	GPLATTOESWPUPC-UHFFFAOYSA-N	0	0	322.361	2.390	10	5		DEBERN
COC(=O)c1cc(N(C)Cc2cnccn2)cc(C)c1[N+](=O)[O-]	ZINC000091484045	355599188	/nfs/dbraw/zinc/59/91/88/355599188.db2.gz	ACJAAUZFOZIIHK-UHFFFAOYSA-N	0	0	316.317	2.116	10	5		DEBERN
CCc1nn(C)c(N[C@@H](C)Cc2c(C)nn(C)c2C)c1[N+](=O)[O-]	ZINC000094168014	355696402	/nfs/dbraw/zinc/69/64/02/355696402.db2.gz	ZHVIPDAJQXMYQB-VIFPVBQESA-N	0	0	320.397	2.284	10	5		DEBERN
O=C1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2Br)N1	ZINC000079932632	191984964	/nfs/dbraw/zinc/98/49/64/191984964.db2.gz	AHQYUCUWLSATJG-ZETCQYMHSA-N	0	0	314.139	2.048	10	5		DEBERN
Cc1cccc(C(=O)NCc2ccc(CO)c(F)c2)c1[N+](=O)[O-]	ZINC000194216859	356236272	/nfs/dbraw/zinc/23/62/72/356236272.db2.gz	IDEVUEMNBSXSQE-UHFFFAOYSA-N	0	0	318.304	2.465	10	5		DEBERN
CCOC(=O)c1c(I)cccc1[N+](=O)[O-]	ZINC000238301022	356303200	/nfs/dbraw/zinc/30/32/00/356303200.db2.gz	ICUMGFFVPCTGTD-UHFFFAOYSA-N	0	0	321.070	2.376	10	5		DEBERN
CNc1ccc(S(=O)(=O)NC[C@@H](C)C(C)C)c([N+](=O)[O-])c1	ZINC000081113098	192228088	/nfs/dbraw/zinc/22/80/88/192228088.db2.gz	YMVHLGQBUYRHQG-SNVBAGLBSA-N	0	0	315.395	2.207	10	5		DEBERN
CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)C(C)C	ZINC000081112862	192228625	/nfs/dbraw/zinc/22/86/25/192228625.db2.gz	DHBWTHUUDAIQJU-JTQLQIEISA-N	0	0	315.395	2.207	10	5		DEBERN
CCOC(=O)[C@H](C)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000184711771	199755022	/nfs/dbraw/zinc/75/50/22/199755022.db2.gz	DSDNIJOAAKLGHL-HTQZYQBOSA-N	0	0	314.363	2.282	10	5		DEBERN
CO[C@@]1(CO)CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1	ZINC000401950266	356728898	/nfs/dbraw/zinc/72/88/98/356728898.db2.gz	UFWRAEYLZGDKTG-ZDUSSCGKSA-N	0	0	300.742	2.226	10	5		DEBERN
Cc1sc(C(=O)NCc2nnc(C3CC3)o2)cc1[N+](=O)[O-]	ZINC000186898338	200028548	/nfs/dbraw/zinc/02/85/48/200028548.db2.gz	GWWWCEZCQVAMDN-UHFFFAOYSA-N	0	0	308.319	2.155	10	5		DEBERN
COC[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1ccc(F)cc1	ZINC000437387309	237811383	/nfs/dbraw/zinc/81/13/83/237811383.db2.gz	ULGQNCQCSFWBSY-GFCCVEGCSA-N	0	0	321.308	2.190	10	5		DEBERN
CO[C@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[C@@H]1C	ZINC000189324338	200382275	/nfs/dbraw/zinc/38/22/75/200382275.db2.gz	OVILPBUUFKJOEM-NHYWBVRUSA-N	0	0	322.361	2.318	10	5		DEBERN
Nc1ccc([N+](=O)[O-])c(N[C@H]2CCCN(c3ncccn3)C2)c1	ZINC000193388770	201042629	/nfs/dbraw/zinc/04/26/29/201042629.db2.gz	JDTCLYFVCLDEIG-LBPRGKRZSA-N	0	0	314.349	2.048	10	5		DEBERN
CCOc1ccc(C(=O)Nc2cc(C)ncn2)cc1[N+](=O)[O-]	ZINC000610233773	361370791	/nfs/dbraw/zinc/37/07/91/361370791.db2.gz	QIRQHFXWIRTURE-UHFFFAOYSA-N	0	0	302.290	2.344	10	5		DEBERN
O=C(C1CCCC1)N1CC[C@H](Nc2ccc([N+](=O)[O-])nc2)C1	ZINC000610770537	361463671	/nfs/dbraw/zinc/46/36/71/361463671.db2.gz	JDHPOECCFJQELO-ZDUSSCGKSA-N	0	0	304.350	2.193	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H](CCC(N)=O)C2)n1	ZINC000611616155	361645185	/nfs/dbraw/zinc/64/51/85/361645185.db2.gz	RCWNNNHKEQOKEN-GFCCVEGCSA-N	0	0	306.366	2.089	10	5		DEBERN
C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCOCC2(CC2)C1	ZINC000611813097	361688480	/nfs/dbraw/zinc/68/84/80/361688480.db2.gz	CBGAHJGMBHCDQF-LBPRGKRZSA-N	0	0	319.361	2.034	10	5		DEBERN
CC(=O)c1cc([N+](=O)[O-])ccc1NCCCN1CCOC1=O	ZINC000288087955	219947066	/nfs/dbraw/zinc/94/70/66/219947066.db2.gz	WGBNEVNSDAXMQM-UHFFFAOYSA-N	0	0	307.306	2.052	10	5		DEBERN
C[NH2+][C@@]1(C(=O)[O-])CC[C@@H](Oc2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000093834458	193314664	/nfs/dbraw/zinc/31/46/64/193314664.db2.gz	OOKVTIFRVFZICF-RNCFNFMXSA-N	0	0	314.725	2.222	10	5		DEBERN
CCc1c(N)nnn1-c1ccc(Br)c([N+](=O)[O-])c1	ZINC000094189044	193347764	/nfs/dbraw/zinc/34/77/64/193347764.db2.gz	UKMFWVXGSPYGNM-UHFFFAOYSA-N	0	0	312.127	2.083	10	5		DEBERN
CC[C@@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C	ZINC000094780183	193397160	/nfs/dbraw/zinc/39/71/60/193397160.db2.gz	WUZOBWMOVHJJIQ-MRVPVSSYSA-N	0	0	304.343	2.367	10	5		DEBERN
CCNc1cc(C)c(S(=O)(=O)N[C@@H]2C[C@@H]2C)cc1[N+](=O)[O-]	ZINC000094780632	193398174	/nfs/dbraw/zinc/39/81/74/193398174.db2.gz	QSXHGKNTEFRBLM-WCBMZHEXSA-N	0	0	313.379	2.022	10	5		DEBERN
CCCCN1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1=O	ZINC000008270595	181542566	/nfs/dbraw/zinc/54/25/66/181542566.db2.gz	YTFCTPGITKNWOS-GFCCVEGCSA-N	0	0	319.361	2.490	10	5		DEBERN
CCCOC(=O)[C@@H](C)N1C(=O)CCc2cc([N+](=O)[O-])ccc21	ZINC000096541506	193677372	/nfs/dbraw/zinc/67/73/72/193677372.db2.gz	RVLSSVPWHIVDQV-SNVBAGLBSA-N	0	0	306.318	2.216	10	5		DEBERN
CN1C[C@@H](Nc2cc(F)c(Cl)cc2[N+](=O)[O-])CCC1=O	ZINC000097356458	193709983	/nfs/dbraw/zinc/70/99/83/193709983.db2.gz	HEONNWHHYZJBER-ZETCQYMHSA-N	0	0	301.705	2.420	10	5		DEBERN
O=C1C=C(Nc2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1	ZINC000021945760	182299556	/nfs/dbraw/zinc/29/95/56/182299556.db2.gz	XUXVADQOIHDKBT-UHFFFAOYSA-N	0	0	323.308	2.460	10	5		DEBERN
CCC[C@@H]1C[C@H]1Nc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-]	ZINC000267754440	206259827	/nfs/dbraw/zinc/25/98/27/206259827.db2.gz	YBEFYVXJHCADQJ-BXKDBHETSA-N	0	0	313.379	2.103	10	5		DEBERN
Cc1cn(C)nc1C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1	ZINC000038508332	183001035	/nfs/dbraw/zinc/00/10/35/183001035.db2.gz	OZDRWNIJILAKRR-UHFFFAOYSA-N	0	0	317.330	2.499	10	5		DEBERN
Cc1cccc2sc(Nc3nc[nH]c(=O)c3[N+](=O)[O-])nc21	ZINC000040650432	183114410	/nfs/dbraw/zinc/11/44/10/183114410.db2.gz	ICEWQGVATXCHOR-UHFFFAOYSA-N	0	0	303.303	2.340	10	5		DEBERN
CCNc1ncnc(NCc2ccc3c(c2)OCO3)c1[N+](=O)[O-]	ZINC000040584973	183106199	/nfs/dbraw/zinc/10/61/99/183106199.db2.gz	YSFXDYCDCMHRLN-UHFFFAOYSA-N	0	0	317.305	2.157	10	5		DEBERN
CCOC(=O)/C=C(\C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000104691132	194027213	/nfs/dbraw/zinc/02/72/13/194027213.db2.gz	GZZSTFINDLEQLG-SOFGYWHQSA-N	0	0	312.709	2.445	10	5		DEBERN
CCCN(C[C@@H]1CCCCO1)C(=O)c1c([N+](=O)[O-])c(C)nn1C	ZINC000106694695	194245325	/nfs/dbraw/zinc/24/53/25/194245325.db2.gz	HVLRKPIETZTAIM-LBPRGKRZSA-N	0	0	324.381	2.058	10	5		DEBERN
CCNc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)C1CC1	ZINC000050654936	183795596	/nfs/dbraw/zinc/79/55/96/183795596.db2.gz	PYGISPSWUIUZMT-VIFPVBQESA-N	0	0	313.379	2.103	10	5		DEBERN
CCNc1nc(Cn2cnc([N+](=O)[O-])c2)nc2sccc21	ZINC000050829190	183805061	/nfs/dbraw/zinc/80/50/61/183805061.db2.gz	KIUXSFHPPSPXCX-UHFFFAOYSA-N	0	0	304.335	2.276	10	5		DEBERN
CNc1c(Cl)cc(C(=O)Nc2ncccn2)cc1[N+](=O)[O-]	ZINC000050722172	183802102	/nfs/dbraw/zinc/80/21/02/183802102.db2.gz	SJFNNKPJSALMRZ-UHFFFAOYSA-N	0	0	307.697	2.332	10	5		DEBERN
CNc1cc(C(=O)N(C)[C@H]2CCSC2)c([N+](=O)[O-])cc1F	ZINC000050749218	183802560	/nfs/dbraw/zinc/80/25/60/183802560.db2.gz	GQLVRZBGONENGX-QMMMGPOBSA-N	0	0	313.354	2.353	10	5		DEBERN
CN1CC[C@@H](Nc2cc([N+](=O)[O-])ccc2Br)C1	ZINC000159354555	197347572	/nfs/dbraw/zinc/34/75/72/197347572.db2.gz	DYGCHICUDIGJAN-MRVPVSSYSA-N	0	0	300.156	2.473	10	5		DEBERN
CNc1c(Cl)cc(C(=O)N[C@H]2CCCOC2)cc1[N+](=O)[O-]	ZINC000109553295	194273881	/nfs/dbraw/zinc/27/38/81/194273881.db2.gz	XJJIPIRITAGOEH-VIFPVBQESA-N	0	0	313.741	2.199	10	5		DEBERN
CC[C@@H](C)N(C)C(=O)c1cc(Cl)c(NN)c([N+](=O)[O-])c1	ZINC000051126442	183816694	/nfs/dbraw/zinc/81/66/94/183816694.db2.gz	METQIIPHGFZFAJ-SSDOTTSWSA-N	0	0	300.746	2.404	10	5		DEBERN
CC[NH2+][C@@](C)(COc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000051625868	183831914	/nfs/dbraw/zinc/83/19/14/183831914.db2.gz	KEPUPRCCKPXBMJ-LBPRGKRZSA-N	0	0	302.714	2.080	10	5		DEBERN
O=C1COc2cc([N+](=O)[O-])c(N[C@@H]3CCCSC3)cc2N1	ZINC000125661340	284830160	/nfs/dbraw/zinc/83/01/60/284830160.db2.gz	RSSLSAKQFCMPHT-MRVPVSSYSA-N	0	0	309.347	2.233	10	5		DEBERN
CCC(CC)N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1	ZINC000157566226	197197238	/nfs/dbraw/zinc/19/72/38/197197238.db2.gz	RZDNBLHDGPTXRT-UHFFFAOYSA-N	0	0	307.397	2.048	10	5		DEBERN
Cc1cc(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)no1	ZINC000059771592	184141137	/nfs/dbraw/zinc/14/11/37/184141137.db2.gz	MFZITTGVNQFBTK-UHFFFAOYSA-N	0	0	324.680	2.122	10	5		DEBERN
C[C@H](NC(=O)c1cc(NN)ccc1[N+](=O)[O-])c1ccsc1	ZINC000061374339	184169779	/nfs/dbraw/zinc/16/97/79/184169779.db2.gz	RQSKLCIHFAGMQE-QMMMGPOBSA-N	0	0	306.347	2.433	10	5		DEBERN
CC(C)[NH2+][C@H](CCOc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000062595834	184245255	/nfs/dbraw/zinc/24/52/55/184245255.db2.gz	XQDJJOOLZXSHPV-SNVBAGLBSA-N	0	0	316.741	2.468	10	5		DEBERN
CN(CCc1ccc(F)cc1)C(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000065847291	184380988	/nfs/dbraw/zinc/38/09/88/184380988.db2.gz	RGJRDADSZYCOPM-UHFFFAOYSA-N	0	0	320.324	2.022	10	5		DEBERN
COC[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1ccccc1	ZINC000539905003	285099412	/nfs/dbraw/zinc/09/94/12/285099412.db2.gz	CCVAZIMVRKVHSS-ZDUSSCGKSA-N	0	0	303.318	2.051	10	5		DEBERN
CC(=O)c1cc(N[C@H](CO)C[C@@H](O)C(C)(C)C)ccc1[N+](=O)[O-]	ZINC000286395069	218962055	/nfs/dbraw/zinc/96/20/55/218962055.db2.gz	JLQCIBXOKMVIQJ-SWLSCSKDSA-N	0	0	324.377	2.367	10	5		DEBERN
O=[N+]([O-])c1cc(F)c(Br)cc1N1CC[C@@H](CO)C1	ZINC000158792860	197302202	/nfs/dbraw/zinc/30/22/02/197302202.db2.gz	LRZOWVXTPITCBT-SSDOTTSWSA-N	0	0	319.130	2.315	10	5		DEBERN
CC(C)C(=O)N1CCC[C@@H]1C(=O)N(C)c1cccc([N+](=O)[O-])c1	ZINC000158103988	197243832	/nfs/dbraw/zinc/24/38/32/197243832.db2.gz	IOVIGARCZNHJPW-CQSZACIVSA-N	0	0	319.361	2.205	10	5		DEBERN
CCCNc1ncnc(OCC(F)(F)C(F)F)c1[N+](=O)[O-]	ZINC000157929331	197228090	/nfs/dbraw/zinc/22/80/90/197228090.db2.gz	HISIHMYLLQAOON-UHFFFAOYSA-N	0	0	312.223	2.486	10	5		DEBERN
CCC[C@H](C)N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1	ZINC000157567184	197198022	/nfs/dbraw/zinc/19/80/22/197198022.db2.gz	IQELKPVIBWOLIS-ZETCQYMHSA-N	0	0	307.397	2.048	10	5		DEBERN
CCNc1sc(S(=O)(=O)NCC(C)C)cc1[N+](=O)[O-]	ZINC000157549258	197195912	/nfs/dbraw/zinc/19/59/12/197195912.db2.gz	LFFQBPQZEODUSQ-UHFFFAOYSA-N	0	0	307.397	2.022	10	5		DEBERN
NNc1cccc(C(=O)Nc2ccc(Cl)cn2)c1[N+](=O)[O-]	ZINC000157123838	197164095	/nfs/dbraw/zinc/16/40/95/197164095.db2.gz	FDOHOZJPBSKHIO-UHFFFAOYSA-N	0	0	307.697	2.181	10	5		DEBERN
CNc1cccc(C(=O)NCc2scnc2C)c1[N+](=O)[O-]	ZINC000157022691	197156242	/nfs/dbraw/zinc/15/62/42/197156242.db2.gz	ZMBMFKQPUZWYLX-UHFFFAOYSA-N	0	0	306.347	2.331	10	5		DEBERN
O=C1NCCN(Cc2csc([N+](=O)[O-])c2)[C@H]1c1ccccc1	ZINC000156312339	197103679	/nfs/dbraw/zinc/10/36/79/197103679.db2.gz	VDBXLFGEKHSJGT-AWEZNQCLSA-N	0	0	317.370	2.329	10	5		DEBERN
Nc1c(C(=O)Nc2c[nH]nc2-c2ccccn2)cccc1[N+](=O)[O-]	ZINC000155465073	197057632	/nfs/dbraw/zinc/05/76/32/197057632.db2.gz	FVPWAFIYUYQFHW-UHFFFAOYSA-N	0	0	324.300	2.214	10	5		DEBERN
O=C(c1cccc([N+](=O)[O-])c1Cl)N1C[C@@H]2CC[C@H](O)[C@@H]2C1	ZINC000123377801	195575363	/nfs/dbraw/zinc/57/53/63/195575363.db2.gz	VOIBSEIQGJLKHI-XRNSZHNASA-N	0	0	310.737	2.091	10	5		DEBERN
CC[C@H](CSC)N(C)C(=O)c1cc(NN)ccc1[N+](=O)[O-]	ZINC000124728801	195673372	/nfs/dbraw/zinc/67/33/72/195673372.db2.gz	PMBQBUGWHTZMAR-SNVBAGLBSA-N	0	0	312.395	2.094	10	5		DEBERN
CS(=O)(=O)c1cc(N[C@@H]2CCCSC2)ccc1[N+](=O)[O-]	ZINC000125829782	195789025	/nfs/dbraw/zinc/78/90/25/195789025.db2.gz	XUDGPGRJNISOGR-SNVBAGLBSA-N	0	0	316.404	2.306	10	5		DEBERN
COc1cccc(C(=O)NC[C@H]2CCC(C)(C)O2)c1[N+](=O)[O-]	ZINC000194922991	132542915	/nfs/dbraw/zinc/54/29/15/132542915.db2.gz	SSYAETXULVNADU-SNVBAGLBSA-N	0	0	308.334	2.291	10	5		DEBERN
CCOc1ccc(C(=O)N(CC)C[C@H](C)OC)cc1[N+](=O)[O-]	ZINC000362314012	133223072	/nfs/dbraw/zinc/22/30/72/133223072.db2.gz	MMKDICAYIHCDAM-NSHDSACASA-N	0	0	310.350	2.491	10	5		DEBERN
Cn1cc([N+](=O)[O-])c(-c2nc(COCc3ccccc3)no2)n1	ZINC000356356744	404473061	/nfs/dbraw/zinc/47/30/61/404473061.db2.gz	GHDFYEIYDUGOCB-UHFFFAOYSA-N	0	0	315.289	2.095	10	5		DEBERN
CC(C)CC[C@@](C)(O)CNC(=O)Nc1ccncc1[N+](=O)[O-]	ZINC000183568433	144930814	/nfs/dbraw/zinc/93/08/14/144930814.db2.gz	UXBXELCLRCHPME-CQSZACIVSA-N	0	0	310.354	2.299	10	5		DEBERN
Cn1ncc([N+](=O)[O-])c1NC(=O)C[C@@H]1CCOc2ccccc21	ZINC000184401609	144943901	/nfs/dbraw/zinc/94/39/01/144943901.db2.gz	AEFSRUMSRFOSKF-JTQLQIEISA-N	0	0	316.317	2.223	10	5		DEBERN
Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@@H]1c1ccccc1	ZINC000184460058	144944472	/nfs/dbraw/zinc/94/44/72/144944472.db2.gz	MGUPRGJIALAELM-WCQYABFASA-N	0	0	312.329	2.106	10	5		DEBERN
O=C(NCC1(CO)CCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000186987166	144992351	/nfs/dbraw/zinc/99/23/51/144992351.db2.gz	LSPFJLCXDJYBNS-UHFFFAOYSA-N	0	0	317.345	2.359	10	5		DEBERN
CC[C@@H](NC(=O)N1C[C@@H](C)[C@H](CO)C1)c1cccc([N+](=O)[O-])c1	ZINC000189465504	145028188	/nfs/dbraw/zinc/02/81/88/145028188.db2.gz	CLYIJAIBRPBBRN-OSAQELSMSA-N	0	0	321.377	2.316	10	5		DEBERN
Cn1ccnc1CC1CCN(c2ncc([N+](=O)[O-])s2)CC1	ZINC000192451541	145073981	/nfs/dbraw/zinc/07/39/81/145073981.db2.gz	VYDMFHCYVAKHDX-UHFFFAOYSA-N	0	0	307.379	2.244	10	5		DEBERN
CO[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC[C@H]1C	ZINC000251535962	145194651	/nfs/dbraw/zinc/19/46/51/145194651.db2.gz	DKOVPGGRHSCLLK-ABAIWWIYSA-N	0	0	321.377	2.199	10	5		DEBERN
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1	ZINC000262533384	145290713	/nfs/dbraw/zinc/29/07/13/145290713.db2.gz	PYQPNSLDHOVVOZ-XWIASGKRSA-N	0	0	305.334	2.160	10	5		DEBERN
O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000127770494	401749241	/nfs/dbraw/zinc/74/92/41/401749241.db2.gz	IDFTTWWEIADZOW-CJNGLKHVSA-N	0	0	304.346	2.362	10	5		DEBERN
COC(=O)CCCCCNC(=O)c1cc(F)ccc1[N+](=O)[O-]	ZINC000077221038	401806746	/nfs/dbraw/zinc/80/67/46/401806746.db2.gz	VTDBMGJYZCZTKC-UHFFFAOYSA-N	0	0	312.297	2.197	10	5		DEBERN
CCn1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cn1	ZINC000114234612	401794785	/nfs/dbraw/zinc/79/47/85/401794785.db2.gz	KWNICOSNXTVNEE-SNVBAGLBSA-N	0	0	300.318	2.403	10	5		DEBERN
Cc1c(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cccc1[N+](=O)[O-]	ZINC000078026095	401838070	/nfs/dbraw/zinc/83/80/70/401838070.db2.gz	ZTAXYNWWRBXIEJ-LBPRGKRZSA-N	0	0	318.251	2.043	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2cnn(C)c2)C1	ZINC000116122356	401842981	/nfs/dbraw/zinc/84/29/81/401842981.db2.gz	ACMKMWGYONUAHT-LBPRGKRZSA-N	0	0	314.345	2.266	10	5		DEBERN
COc1cc2c(cc1O)oc1cc(O)c(OC)c(OC)c1c2=O	ZINC000014648880	401812950	/nfs/dbraw/zinc/81/29/50/401812950.db2.gz	CAFZLSJOANEDGR-UHFFFAOYSA-N	0	0	318.281	2.383	10	5		DEBERN
Cc1sc(C(=O)N2CCN(CC3CC3)CC2)cc1[N+](=O)[O-]	ZINC000055673189	402085377	/nfs/dbraw/zinc/08/53/77/402085377.db2.gz	GDSOHXILUAPJBM-UHFFFAOYSA-N	0	0	309.391	2.133	10	5		DEBERN
Cc1cccc(CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])n1	ZINC000097477049	402125737	/nfs/dbraw/zinc/12/57/37/402125737.db2.gz	ZHHNIYNGOGERTA-UHFFFAOYSA-N	0	0	311.301	2.147	10	5		DEBERN
N[C@H]1c2cc([N+](=O)[O-])ccc2N(Cc2ccc(F)cc2)C1=O	ZINC000100236476	402140632	/nfs/dbraw/zinc/14/06/32/402140632.db2.gz	UHGZLLGOGMWLST-AWEZNQCLSA-N	0	0	301.277	2.281	10	5		DEBERN
COc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)ccn1	ZINC000124380120	402177238	/nfs/dbraw/zinc/17/72/38/402177238.db2.gz	MHKDTYNGARCVBS-UHFFFAOYSA-N	0	0	301.302	2.237	10	5		DEBERN
CSCCCCNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C	ZINC000126106742	402264420	/nfs/dbraw/zinc/26/44/20/402264420.db2.gz	VUUPTHRHWIDYDW-UHFFFAOYSA-N	0	0	314.411	2.058	10	5		DEBERN
COC(=O)c1cc([N+](=O)[O-])c(NCC2(C)COC2)cc1Cl	ZINC000125939872	402257851	/nfs/dbraw/zinc/25/78/51/402257851.db2.gz	QWSYULPKPZHMPZ-UHFFFAOYSA-N	0	0	314.725	2.483	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CC=CCC2)s1	ZINC000069042648	402212168	/nfs/dbraw/zinc/21/21/68/402212168.db2.gz	QPWLSTCXMGPHEP-SECBINFHSA-N	0	0	302.377	2.291	10	5		DEBERN
CCCCNC(=O)Cc1noc(-c2cc([N+](=O)[O-])c(C)s2)n1	ZINC000109447322	402272352	/nfs/dbraw/zinc/27/23/52/402272352.db2.gz	ZNUMANAYPGPNGK-UHFFFAOYSA-N	0	0	324.362	2.474	10	5		DEBERN
O=[N+]([O-])c1ccn(CCN2CCCC[C@H]2c2nccs2)n1	ZINC000176222852	402291743	/nfs/dbraw/zinc/29/17/43/402291743.db2.gz	ZJYRNQMATRZDSV-NSHDSACASA-N	0	0	307.379	2.475	10	5		DEBERN
CC[C@@H](NC(=O)NC[C@H](O)C(C)C)c1cccc([N+](=O)[O-])c1	ZINC000176707255	402329872	/nfs/dbraw/zinc/32/98/72/402329872.db2.gz	AUUQHJBMCXBZTR-KGLIPLIRSA-N	0	0	309.366	2.362	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCO[C@]2(CCOC2)C1	ZINC000185191814	402332755	/nfs/dbraw/zinc/33/27/55/402332755.db2.gz	VVSYEKJCEIZHRF-XJKSGUPXSA-N	0	0	306.362	2.456	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCO[C@]2(CCOC2)C1	ZINC000185191799	402332843	/nfs/dbraw/zinc/33/28/43/402332843.db2.gz	VVSYEKJCEIZHRF-CZUORRHYSA-N	0	0	306.362	2.456	10	5		DEBERN
CC1(C)CC[C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])O1	ZINC000187364952	402496246	/nfs/dbraw/zinc/49/62/46/402496246.db2.gz	SDKQEHYVUFPPAM-NSHDSACASA-N	0	0	308.334	2.047	10	5		DEBERN
Cn1ccnc1-c1cc(NC(=O)c2csc([N+](=O)[O-])c2)n[nH]1	ZINC000179054372	402568484	/nfs/dbraw/zinc/56/84/84/402568484.db2.gz	SMEDRYINHBGIMT-UHFFFAOYSA-N	0	0	318.318	2.032	10	5		DEBERN
Cc1nc([C@@H]2CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])cs1	ZINC000190021626	402570953	/nfs/dbraw/zinc/57/09/53/402570953.db2.gz	UYAGBGOXBRAYGP-VIFPVBQESA-N	0	0	307.335	2.060	10	5		DEBERN
CN(C[C@H]1CCCO1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1	ZINC000170691674	402514843	/nfs/dbraw/zinc/51/48/43/402514843.db2.gz	XWBHKRHYGYREBC-CYBMUJFWSA-N	0	0	319.361	2.420	10	5		DEBERN
CCOc1ccc(C(=O)N[C@@H]2CCCC[C@H]2CO)cc1[N+](=O)[O-]	ZINC000179242357	402582627	/nfs/dbraw/zinc/58/26/27/402582627.db2.gz	BFQNOTQFINKXKV-QWHCGFSZSA-N	0	0	322.361	2.274	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nncn1-c1ccccc1	ZINC000181123017	402636095	/nfs/dbraw/zinc/63/60/95/402636095.db2.gz	VDIDUDBHRHVSHB-UHFFFAOYSA-N	0	0	324.300	2.131	10	5		DEBERN
O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)C2O	ZINC000172358098	402652001	/nfs/dbraw/zinc/65/20/01/402652001.db2.gz	KGNKWLMFEHDCRO-XFLKPENQSA-N	0	0	324.764	2.481	10	5		DEBERN
CC[C@H](NC(=O)Cc1ccn(C)n1)c1cccc([N+](=O)[O-])c1	ZINC000181635691	402652778	/nfs/dbraw/zinc/65/27/78/402652778.db2.gz	SXPZLIZMRCSVBW-AWEZNQCLSA-N	0	0	302.334	2.138	10	5		DEBERN
CC(C)[C@H](C)CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	ZINC000172445973	402656436	/nfs/dbraw/zinc/65/64/36/402656436.db2.gz	JGNOBBKQOIRMFI-LLVKDONJSA-N	0	0	317.349	2.197	10	5		DEBERN
Cc1cccc(OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)n1	ZINC000181797661	402656929	/nfs/dbraw/zinc/65/69/29/402656929.db2.gz	HPTGQGSCLPYSTI-UHFFFAOYSA-N	0	0	313.313	2.266	10	5		DEBERN
Cc1ccc2c(c1)[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)[C@H](C)C2	ZINC000182212403	402672848	/nfs/dbraw/zinc/67/28/48/402672848.db2.gz	CWPJNLIMUAFPLK-BDJLRTHQSA-N	0	0	314.345	2.149	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NC2CCC(OC(C)C)CC2)n1	ZINC000191684198	402686698	/nfs/dbraw/zinc/68/66/98/402686698.db2.gz	DAMUMMMWHPMEAO-UHFFFAOYSA-N	0	0	324.381	2.277	10	5		DEBERN
C[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCCO1	ZINC000183208792	402746792	/nfs/dbraw/zinc/74/67/92/402746792.db2.gz	DOCLPTRYRCHOCG-ZWNOBZJWSA-N	0	0	318.333	2.302	10	5		DEBERN
CC[C@H](NCc1nc(N(C)C)no1)c1cccc([N+](=O)[O-])c1	ZINC000192785943	402749855	/nfs/dbraw/zinc/74/98/55/402749855.db2.gz	QGIAHNYQFBWTJC-LBPRGKRZSA-N	0	0	305.338	2.285	10	5		DEBERN
Cc1ccc(OCCNC(=O)c2cc([N+](=O)[O-])cnc2C)cc1	ZINC000194758476	402815025	/nfs/dbraw/zinc/81/50/25/402815025.db2.gz	MKOPYNIURRMSJH-UHFFFAOYSA-N	0	0	315.329	2.415	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1nccn1C(F)F	ZINC000194850808	402818727	/nfs/dbraw/zinc/81/87/27/402818727.db2.gz	MCOJUESVMMIDQP-UHFFFAOYSA-N	0	0	310.260	2.425	10	5		DEBERN
Cc1sc(C(=O)NCc2nccn2C(F)F)cc1[N+](=O)[O-]	ZINC000195012380	402826904	/nfs/dbraw/zinc/82/69/04/402826904.db2.gz	WDJVUUHIOLUHFJ-UHFFFAOYSA-N	0	0	316.289	2.486	10	5		DEBERN
Cc1cccc(C(=O)N2CCN3CCCC[C@H]3C2)c1[N+](=O)[O-]	ZINC000195070877	402829494	/nfs/dbraw/zinc/82/94/94/402829494.db2.gz	FGKDYBAXBKBMRU-ZDUSSCGKSA-N	0	0	303.362	2.214	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1(c2ccccn2)CC1	ZINC000184354096	402838083	/nfs/dbraw/zinc/83/80/83/402838083.db2.gz	SGQZLFAUDWRYPP-UHFFFAOYSA-N	0	0	312.329	2.155	10	5		DEBERN
COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@@H](C)O[C@H](C)C1	ZINC000278797528	402872404	/nfs/dbraw/zinc/87/24/04/402872404.db2.gz	XTWJUNDPDXIKHT-GHMZBOCLSA-N	0	0	308.334	2.303	10	5		DEBERN
CCN(CC)C(=O)C1CCN(c2ncc([N+](=O)[O-])cc2C)CC1	ZINC000301212623	403601857	/nfs/dbraw/zinc/60/18/57/403601857.db2.gz	XUHOHBACDQMRIY-UHFFFAOYSA-N	0	0	320.393	2.383	10	5		DEBERN
C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCO[C@@]2(CCOC2)C1	ZINC000347386292	403689953	/nfs/dbraw/zinc/68/99/53/403689953.db2.gz	XWYUUELOCFRKFI-ZGUWOUCSSA-N	0	0	318.373	2.489	10	5		DEBERN
CN(c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C)[C@@H]1CCSC1	ZINC000289304739	403903735	/nfs/dbraw/zinc/90/37/35/403903735.db2.gz	IYFPWMLCCMQESW-GFCCVEGCSA-N	0	0	319.390	2.332	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])s1)N1CC(O)(c2ccc(F)cc2)C1	ZINC000369391056	404077465	/nfs/dbraw/zinc/07/74/65/404077465.db2.gz	IFUKJETVOPUATI-UHFFFAOYSA-N	0	0	322.317	2.139	10	5		DEBERN
C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(C(N)=O)co1	ZINC000344803091	404377109	/nfs/dbraw/zinc/37/71/09/404377109.db2.gz	AGLBEUYCBWFKCL-VZUCSPMQSA-N	0	0	315.329	2.480	10	5		DEBERN
Cc1cc(S(=O)(=O)N2C[C@H](C)[C@@H]2C)cc([N+](=O)[O-])c1F	ZINC000297086266	404444805	/nfs/dbraw/zinc/44/48/05/404444805.db2.gz	NRTBIBSTLIUFRB-IUCAKERBSA-N	0	0	302.327	2.071	10	5		DEBERN
CCOC(=O)c1cc(N2C[C@H]3CC[C@@H](C2)O3)ccc1[N+](=O)[O-]	ZINC000376191435	404816421	/nfs/dbraw/zinc/81/64/21/404816421.db2.gz	ORPAMHAPKFCIOK-TXEJJXNPSA-N	0	0	306.318	2.139	10	5		DEBERN
COC(=O)c1ccc(OCc2ncc(C)cn2)c([N+](=O)[O-])c1	ZINC000361086307	404910978	/nfs/dbraw/zinc/91/09/78/404910978.db2.gz	IHEJPZDNNXNEPV-UHFFFAOYSA-N	0	0	303.274	2.059	10	5		DEBERN
C/C=C\C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)OCC	ZINC000361549482	405128220	/nfs/dbraw/zinc/12/82/20/405128220.db2.gz	KXMHUDPQGKSFGE-DXTPNHAXSA-N	0	0	320.345	2.151	10	5		DEBERN
COC(=O)c1cc(C)nc(N2CCC[C@H]2C2CC2)c1[N+](=O)[O-]	ZINC000367718037	405133613	/nfs/dbraw/zinc/13/36/13/405133613.db2.gz	XDTQLOZYFAPHDZ-LBPRGKRZSA-N	0	0	305.334	2.464	10	5		DEBERN
O=C(c1ccnnc1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1	ZINC000452856756	405251836	/nfs/dbraw/zinc/25/18/36/405251836.db2.gz	QGHDDGOGFKSDQS-CQSZACIVSA-N	0	0	312.329	2.405	10	5		DEBERN
CO[C@@H]1CC[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1	ZINC000471672260	406107008	/nfs/dbraw/zinc/10/70/08/406107008.db2.gz	UGQSYRKBDZONJA-GXTWGEPZSA-N	0	0	317.345	2.233	10	5		DEBERN
NC(=O)c1c(Br)cc(OC(F)F)cc1[N+](=O)[O-]	ZINC000575683278	406817938	/nfs/dbraw/zinc/81/79/38/406817938.db2.gz	OVTSKUBAQMTCTP-UHFFFAOYSA-N	0	0	311.038	2.058	10	5		DEBERN
COc1cc([N+](=O)[O-])cc(I)c1C=O	ZINC000575727569	406825243	/nfs/dbraw/zinc/82/52/43/406825243.db2.gz	GQNHOAJVOWKVAU-UHFFFAOYSA-N	0	0	307.043	2.021	10	5		DEBERN
C[C@@H]1CC=CC[C@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1	ZINC000408077497	287243543	/nfs/dbraw/zinc/24/35/43/287243543.db2.gz	YHXAWZSSMKMRGR-BXUZGUMPSA-N	0	0	301.346	2.477	10	5		DEBERN
CC[C@H](C)[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131200112	196149100	/nfs/dbraw/zinc/14/91/00/196149100.db2.gz	ZPNSXAPYSIYFPF-IUCAKERBSA-N	0	0	304.343	2.447	10	5		DEBERN
Cc1nc(N[C@H](C)c2nnc3n2CCCC3)ccc1[N+](=O)[O-]	ZINC000131204545	196149665	/nfs/dbraw/zinc/14/96/65/196149665.db2.gz	OANUYPANKOQGSM-SNVBAGLBSA-N	0	0	302.338	2.399	10	5		DEBERN
CC[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(NC)c1	ZINC000131443374	196169569	/nfs/dbraw/zinc/16/95/69/196169569.db2.gz	UFGHUOQZVPLDOT-SNVBAGLBSA-N	0	0	313.379	2.200	10	5		DEBERN
C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1	ZINC000131810325	196201394	/nfs/dbraw/zinc/20/13/94/196201394.db2.gz	FAXUBHUBHVLMIQ-BXKDBHETSA-N	0	0	313.379	2.034	10	5		DEBERN
CCCNc1cc(S(=O)(=O)N(C)C2CC2)ccc1[N+](=O)[O-]	ZINC000131885472	196207153	/nfs/dbraw/zinc/20/71/53/196207153.db2.gz	SIXANUJKSQANDI-UHFFFAOYSA-N	0	0	313.379	2.200	10	5		DEBERN
CCC[C@@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(NC)c1	ZINC000131976552	196215093	/nfs/dbraw/zinc/21/50/93/196215093.db2.gz	QKESIJJFDKCUSC-SNVBAGLBSA-N	0	0	315.395	2.446	10	5		DEBERN
CNc1c(Cl)cc(C(=O)N(C)CC[C@H](C)O)cc1[N+](=O)[O-]	ZINC000135654162	196497261	/nfs/dbraw/zinc/49/72/61/196497261.db2.gz	JEBJDZXOOXRLSV-QMMMGPOBSA-N	0	0	315.757	2.133	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](OC)C2(CC)CC)n1	ZINC000191675248	225114273	/nfs/dbraw/zinc/11/42/73/225114273.db2.gz	LIZAWLNETHIXSX-NWDGAFQWSA-N	0	0	324.381	2.135	10	5		DEBERN
O=C(Nc1cc([C@H]2CCCO2)[nH]n1)Nc1cccc([N+](=O)[O-])c1	ZINC000357372364	424815544	/nfs/dbraw/zinc/81/55/44/424815544.db2.gz	KBVVJCYXXOLVTA-GFCCVEGCSA-N	0	0	317.305	2.813	10	5		DEBERN
COC(=O)c1cc(C)nc(NC[C@@H]2CCC[C@H]2C)c1[N+](=O)[O-]	ZINC000553559541	424877817	/nfs/dbraw/zinc/87/78/17/424877817.db2.gz	NMAZJQISJWFHLL-KOLCDFICSA-N	0	0	307.350	2.933	10	5		DEBERN
CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1cscn1	ZINC000195282690	424881177	/nfs/dbraw/zinc/88/11/77/424881177.db2.gz	STINVWNQFAUBMV-UHFFFAOYSA-N	0	0	306.347	2.393	10	5		DEBERN
CC1(C)CC[C@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])O1	ZINC000187358238	267660711	/nfs/dbraw/zinc/66/07/11/267660711.db2.gz	URRQASIHVXOUTN-GFCCVEGCSA-N	0	0	322.361	2.438	10	5		DEBERN
O=C1[C@@H]2[C@H]3CCC[C@@H]3CN2C(=O)N1c1cccc([N+](=O)[O-])c1	ZINC000191699167	275028820	/nfs/dbraw/zinc/02/88/20/275028820.db2.gz	IRXALNCPAJHBIU-ICCXJUOJSA-N	0	0	301.302	2.162	10	5		DEBERN
COC1CCN(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1	ZINC000408283936	277193773	/nfs/dbraw/zinc/19/37/73/277193773.db2.gz	QTJFASFYWWJIJH-UHFFFAOYSA-N	0	0	319.361	2.184	10	5		DEBERN
O=[N+]([O-])c1cc2c(I)n[nH]c2cc1F	ZINC000089195726	280360814	/nfs/dbraw/zinc/36/08/14/280360814.db2.gz	NZALAQSSAMQTDG-UHFFFAOYSA-N	0	0	307.022	2.215	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1c1ncc[nH]1	ZINC000171030704	302705085	/nfs/dbraw/zinc/70/50/85/302705085.db2.gz	YVRPKEVFSORXTR-CYBMUJFWSA-N	0	0	315.333	2.389	10	5		DEBERN
CNC(=O)n1c(=O)sc2c1cc(C(F)(F)F)cc2[N+](=O)[O-]	ZINC000584658959	337378195	/nfs/dbraw/zinc/37/81/95/337378195.db2.gz	SWTANBFJDCIFCR-UHFFFAOYSA-N	0	0	321.236	2.178	10	5		DEBERN
CCOC(=O)CC[C@@H](C)NC(=O)CCc1cccc([N+](=O)[O-])c1	ZINC000089805804	500694470	/nfs/dbraw/zinc/69/44/70/500694470.db2.gz	BTLOKBSDZMDODZ-GFCCVEGCSA-N	0	0	322.361	2.375	10	5		DEBERN
COC(=O)c1ccc(F)c(CNc2c([N+](=O)[O-])c(C)nn2C)c1	ZINC000302176201	534169326	/nfs/dbraw/zinc/16/93/26/534169326.db2.gz	MYVHPTDLKHEBKQ-UHFFFAOYSA-N	0	0	322.296	2.175	10	5		DEBERN
CC(C)(C(=O)NC[C@@H](CO)C1CC1)c1ccc([N+](=O)[O-])cc1	ZINC000358323769	534342160	/nfs/dbraw/zinc/34/21/60/534342160.db2.gz	STHHEFQVBDDUGB-LBPRGKRZSA-N	0	0	306.362	2.007	10	5		DEBERN
O=[N+]([O-])c1ccccc1OCCN1CCCC[C@@H]1c1nc[nH]n1	ZINC000121784864	527403834	/nfs/dbraw/zinc/40/38/34/527403834.db2.gz	UAVOCASNENRXOX-CYBMUJFWSA-N	0	0	317.349	2.319	10	5		DEBERN
CCCCc1cc(NC(=O)c2nn(CC)cc2[N+](=O)[O-])n[nH]1	ZINC000191953931	529016651	/nfs/dbraw/zinc/01/66/51/529016651.db2.gz	PCBXDXHVHQWWEK-UHFFFAOYSA-N	0	0	306.326	2.129	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2cnn([C@H](C)C3CC3)c2)n1	ZINC000191717548	529155492	/nfs/dbraw/zinc/15/54/92/529155492.db2.gz	GFRZJBBDZAWEDR-SECBINFHSA-N	0	0	318.337	2.231	10	5		DEBERN
C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1nccc1[N+](=O)[O-]	ZINC000123533248	625580514	/nfs/dbraw/zinc/58/05/14/625580514.db2.gz	DCOQFBMIHLSNBV-SECBINFHSA-N	0	0	303.278	2.108	10	5		DEBERN
Cc1c([N+](=O)[O-])cc(C(=O)NCc2cscn2)cc1[N+](=O)[O-]	ZINC000050407347	624910524	/nfs/dbraw/zinc/91/05/24/624910524.db2.gz	WVXNHDPUVVUGKT-UHFFFAOYSA-N	0	0	322.302	2.198	10	5		DEBERN
C[C@@H](COC(=O)Cn1cc([N+](=O)[O-])cn1)COc1ccccc1	ZINC000177189938	625876770	/nfs/dbraw/zinc/87/67/70/625876770.db2.gz	ILWBWSFQPGSTHP-GFCCVEGCSA-N	0	0	319.317	2.050	10	5		DEBERN
O=[N+]([O-])c1ccc(F)cc1CN1CC[C@](O)(C(F)(F)F)C1	ZINC000177272074	625897642	/nfs/dbraw/zinc/89/76/42/625897642.db2.gz	DNZKQNCQMQQDKR-LLVKDONJSA-N	0	0	308.231	2.233	10	5		DEBERN
COC1CC(Nc2ncc([N+](=O)[O-])cc2Br)C1	ZINC000230598169	625928499	/nfs/dbraw/zinc/92/84/99/625928499.db2.gz	SRCOAGZRPIXKAY-UHFFFAOYSA-N	0	0	302.128	2.342	10	5		DEBERN
O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCCCC1CC1	ZINC000736048685	633563218	/nfs/dbraw/zinc/56/32/18/633563218.db2.gz	GLEOCURKSRYTPJ-UHFFFAOYSA-N	0	0	302.334	2.251	10	5		DEBERN
COC(=O)/C(C)=C\COC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1	ZINC000748178298	638521638	/nfs/dbraw/zinc/52/16/38/638521638.db2.gz	KSACNLQHGCCUKW-TWGQIWQCSA-N	0	0	318.285	2.352	10	5		DEBERN
CC(=CC(=O)NCc1c[nH]nc1C)c1ccc([N+](=O)[O-])cc1	ZINC000751502975	639087688	/nfs/dbraw/zinc/08/76/88/639087688.db2.gz	UIHYSMHWTBORCA-YFHOEESVSA-N	0	0	300.318	2.346	10	5		DEBERN
C/C(=C/C(=O)OCc1nnc(C)o1)c1ccc([N+](=O)[O-])cc1	ZINC000752352698	639174639	/nfs/dbraw/zinc/17/46/39/639174639.db2.gz	UXSVAXPKBKTTLN-CLFYSBASSA-N	0	0	303.274	2.433	10	5		DEBERN
C/C(=C/C(=O)NCc1noc(C)n1)c1ccc([N+](=O)[O-])cc1	ZINC000752387482	639179607	/nfs/dbraw/zinc/17/96/07/639179607.db2.gz	BNFIRUNIVPLRRB-CLFYSBASSA-N	0	0	302.290	2.006	10	5		DEBERN
C/C(=C\C(=O)NCC[C@H](C)[S@@](C)=O)c1ccc([N+](=O)[O-])cc1	ZINC000752579396	639199559	/nfs/dbraw/zinc/19/95/59/639199559.db2.gz	JJTISVZZZMVFSL-RKSCDSHXSA-N	0	0	324.402	2.271	10	5		DEBERN
CCOc1ccc([N+](=O)[O-])cc1COC(=O)C1CCOCC1	ZINC000127353143	639637330	/nfs/dbraw/zinc/63/73/30/639637330.db2.gz	FWZQCGFETYBVMU-UHFFFAOYSA-N	0	0	309.318	2.463	10	5		DEBERN
C/C(=C\C(=O)NCC1=CCCOC1)c1ccc([N+](=O)[O-])cc1	ZINC000805290824	640681378	/nfs/dbraw/zinc/68/13/78/640681378.db2.gz	PQTFPBIBNQRQSJ-FMIVXFBMSA-N	0	0	302.330	2.461	10	5		DEBERN
Cc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](C(=O)N(C)C)C(C)C	ZINC000729701732	640830472	/nfs/dbraw/zinc/83/04/72/640830472.db2.gz	OVQODDONNVHAPY-CYBMUJFWSA-N	0	0	308.334	2.173	10	5		DEBERN
COC(=O)c1ccoc1C(=O)OCc1cccc([N+](=O)[O-])c1	ZINC000800266577	645248302	/nfs/dbraw/zinc/24/83/02/645248302.db2.gz	RQUQXFSGTMDTDN-UHFFFAOYSA-N	0	0	305.242	2.331	10	5		DEBERN
CC(=O)CCC(=O)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1	ZINC000800398090	645266633	/nfs/dbraw/zinc/26/66/33/645266633.db2.gz	COJAGKHMJDQNAK-NWDGAFQWSA-N	0	0	309.322	2.187	10	5		DEBERN
O=[N+]([O-])c1cccc2ncnc(N3CCO[C@@H](C(F)F)C3)c21	ZINC000800876335	645315176	/nfs/dbraw/zinc/31/51/76/645315176.db2.gz	CTJLQFRAOGQBEV-SNVBAGLBSA-N	0	0	310.260	2.008	10	5		DEBERN
CCOc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H](C(F)F)C1	ZINC000801565911	645417221	/nfs/dbraw/zinc/41/72/21/645417221.db2.gz	JWWIWOZRIAAGFG-CYBMUJFWSA-N	0	0	316.304	2.459	10	5		DEBERN
COc1cc([N+](=O)[O-])ccc1CN1CCO[C@@H](C(F)F)C1	ZINC000801568444	645418177	/nfs/dbraw/zinc/41/81/77/645418177.db2.gz	YHDIGZSVBZJGGD-GFCCVEGCSA-N	0	0	302.277	2.069	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCO[C@H](C(F)F)C1	ZINC000801714825	645433662	/nfs/dbraw/zinc/43/36/62/645433662.db2.gz	YOCQLIOGERHJMY-NSHDSACASA-N	0	0	315.276	2.401	10	5		DEBERN
C[C@H](OC(=O)COc1ccccc1[N+](=O)[O-])C1CCOCC1	ZINC000151685228	646997620	/nfs/dbraw/zinc/99/76/20/646997620.db2.gz	KYXZTPUBSHUDTE-NSHDSACASA-N	0	0	309.318	2.332	10	5		DEBERN
C[C@@H](OC(=O)C1=COCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000730852595	647420648	/nfs/dbraw/zinc/42/06/48/647420648.db2.gz	SBIBCBZZXFNDGE-SNVBAGLBSA-N	0	0	320.301	2.159	10	5		DEBERN
CC1(C)CCC(CC(=O)OCCn2cnc([N+](=O)[O-])n2)CC1	ZINC000154802955	648105196	/nfs/dbraw/zinc/10/51/96/648105196.db2.gz	LZWAXDDPTZUOHG-UHFFFAOYSA-N	0	0	310.354	2.336	10	5		DEBERN
CN(CCOC(=O)C[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1	ZINC000068348590	648449144	/nfs/dbraw/zinc/44/91/44/648449144.db2.gz	ROVZKGNMCVYABC-CQSZACIVSA-N	0	0	308.334	2.143	10	5		DEBERN
COc1cc(OCC(=O)OCc2ccoc2)ccc1[N+](=O)[O-]	ZINC000069286237	648576563	/nfs/dbraw/zinc/57/65/63/648576563.db2.gz	SMPMHOOHQCDHFK-UHFFFAOYSA-N	0	0	307.258	2.319	10	5		DEBERN
CCCOCCOC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1	ZINC000107414009	651442199	/nfs/dbraw/zinc/44/21/99/651442199.db2.gz	VNQRCYRGOSEBCK-UHFFFAOYSA-N	0	0	319.317	2.364	10	5		DEBERN
CCc1nc(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)cs1	ZINC000107776071	651489062	/nfs/dbraw/zinc/48/90/62/651489062.db2.gz	NNPUFDCTRXQSNY-UHFFFAOYSA-N	0	0	320.374	2.434	10	5		DEBERN
CCc1ccc(C(=O)OC[C@H]2CC(=O)N(CC)C2)cc1[N+](=O)[O-]	ZINC000080294220	683980294	/nfs/dbraw/zinc/98/02/94/683980294.db2.gz	FFGNPIGADOUOJP-NSHDSACASA-N	0	0	320.345	2.182	10	5		DEBERN
CCO[C@H]1C[C@@H](OC(=O)CCn2cc([N+](=O)[O-])cn2)C12CCC2	ZINC000130580507	684190289	/nfs/dbraw/zinc/19/02/89/684190289.db2.gz	BYGBSZZQRCEOQL-QWHCGFSZSA-N	0	0	323.349	2.072	10	5		DEBERN
COc1cc(NC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)ncn1	ZINC000588441085	777196002	/nfs/dbraw/zinc/19/60/02/777196002.db2.gz	XOMIXFVKJXZGEX-YFHOEESVSA-N	0	0	314.301	2.435	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(Cc2c(F)cccc2[N+](=O)[O-])c1=O	ZINC000155889374	800865660	/nfs/dbraw/zinc/86/56/60/800865660.db2.gz	LYTFNJPPIJOZKS-UHFFFAOYSA-N	0	0	307.237	2.161	10	5		DEBERN
CO[C@]1(CNc2nc3sccn3c2[N+](=O)[O-])CCSC1	ZINC000719253760	1088915574	/nfs/dbraw/zinc/91/55/74/1088915574.db2.gz	UVGOAQNCYIDDLI-NSHDSACASA-N	0	0	314.392	2.238	10	5		DEBERN
Cn1cnnc1CNc1c(Br)cccc1[N+](=O)[O-]	ZINC000700081872	1144672743	/nfs/dbraw/zinc/67/27/43/1144672743.db2.gz	ZVZMYLNGZOJZMK-UHFFFAOYSA-N	0	0	312.127	2.098	10	5		DEBERN
O=[N+]([O-])c1cc(I)ncc1OC1CC1	ZINC000095735517	185383568	/nfs/dbraw/zinc/38/35/68/185383568.db2.gz	JXOLDFUWUNVSPF-UHFFFAOYSA-N	0	0	306.059	2.136	10	5		DEBERN
O=[N+]([O-])c1ncc(OC2CC2)cc1I	ZINC000095735897	185383969	/nfs/dbraw/zinc/38/39/69/185383969.db2.gz	SGFVXNIFGBVIQU-UHFFFAOYSA-N	0	0	306.059	2.136	10	5		DEBERN
CSC[C@@](C)(O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000077105170	185109171	/nfs/dbraw/zinc/10/91/71/185109171.db2.gz	NAUULBGTEJSSBD-LBPRGKRZSA-N	0	0	318.782	2.092	10	5		DEBERN
CC[C@@H](C)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N	ZINC000088311806	185245305	/nfs/dbraw/zinc/24/53/05/185245305.db2.gz	MFQBBOGXFMMHEW-ZJUUUORDSA-N	0	0	315.395	2.280	10	5		DEBERN
CC[C@H](C)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N	ZINC000088311769	185245334	/nfs/dbraw/zinc/24/53/34/185245334.db2.gz	FUSXYGBAZIHMMR-VHSXEESVSA-N	0	0	315.395	2.280	10	5		DEBERN
O=[N+]([O-])c1ccc(Cn2ncnc2CNC2CC2)c(Cl)c1	ZINC000088629109	185260558	/nfs/dbraw/zinc/26/05/58/185260558.db2.gz	CXQQNZZGPDLGSI-UHFFFAOYSA-N	0	0	307.741	2.140	10	5		DEBERN
COC(=O)C[C@@H](C)[S@](=O)Cc1c(Cl)cccc1[N+](=O)[O-]	ZINC000090101795	185282196	/nfs/dbraw/zinc/28/21/96/185282196.db2.gz	URCXONACCCGKKA-SQFXPLBJSA-N	0	0	319.766	2.449	10	5		DEBERN
COCc1cncc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1	ZINC000613175287	362027891	/nfs/dbraw/zinc/02/78/91/362027891.db2.gz	MPFPSYOBWJDFNS-UHFFFAOYSA-N	0	0	315.329	2.408	10	5		DEBERN
O=C(Nc1cc(Cl)ccc1[N+](=O)[O-])c1cnn2c1OCCC2	ZINC000090627069	185307533	/nfs/dbraw/zinc/30/75/33/185307533.db2.gz	KHTUMTLDQDLWGX-UHFFFAOYSA-N	0	0	322.708	2.480	10	5		DEBERN
CCC1(CC)CN(c2ccc([N+](=O)[O-])cc2)CCS1(=O)=O	ZINC000302385708	282379572	/nfs/dbraw/zinc/37/95/72/282379572.db2.gz	ASSJAHKPONMXNG-UHFFFAOYSA-N	0	0	312.391	2.388	10	5		DEBERN
CC[C@@H](C)N(CCC(=O)OC)C(=O)c1cccc([N+](=O)[O-])c1	ZINC000071640328	190996911	/nfs/dbraw/zinc/99/69/11/190996911.db2.gz	LALQVFISDFGYNR-LLVKDONJSA-N	0	0	308.334	2.399	10	5		DEBERN
C[C@@H](NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)c1ncc[nH]1	ZINC000141782372	186031122	/nfs/dbraw/zinc/03/11/22/186031122.db2.gz	DRGFCTLQHNTLOS-ZCFIWIBFSA-N	0	0	309.713	2.045	10	5		DEBERN
C[C@H](NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)c1ncc[nH]1	ZINC000141782164	186031137	/nfs/dbraw/zinc/03/11/37/186031137.db2.gz	DRGFCTLQHNTLOS-LURJTMIESA-N	0	0	309.713	2.045	10	5		DEBERN
COc1ccc(Oc2cc(N)nc(SC)n2)c([N+](=O)[O-])c1	ZINC000147844571	186041730	/nfs/dbraw/zinc/04/17/30/186041730.db2.gz	FHXJWFYYXJJZKV-UHFFFAOYSA-N	0	0	308.319	2.490	10	5		DEBERN
C[C@H](N)c1nc(C(=O)Nc2ccc([N+](=O)[O-])c(F)c2)cs1	ZINC000148998455	186046944	/nfs/dbraw/zinc/04/69/44/186046944.db2.gz	HDPXETXTILFKLO-LURJTMIESA-N	0	0	310.310	2.462	10	5		DEBERN
CS(=O)(=O)[C@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])c(F)c1	ZINC000148765193	186045895	/nfs/dbraw/zinc/04/58/95/186045895.db2.gz	WMOFXEFLNNGWQX-JQWIXIFHSA-N	0	0	302.327	2.112	10	5		DEBERN
CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@H](C)C1	ZINC000182045009	199377895	/nfs/dbraw/zinc/37/78/95/199377895.db2.gz	LAURDKJOGNTFPJ-BXUZGUMPSA-N	0	0	321.377	2.103	10	5		DEBERN
COC(=O)/C=C/c1ccc(NC[C@H](O)C(C)C)c([N+](=O)[O-])c1	ZINC000172641621	198131024	/nfs/dbraw/zinc/13/10/24/198131024.db2.gz	DSOHLULPJLZLGZ-DYLGSBMWSA-N	0	0	308.334	2.210	10	5		DEBERN
Cc1nn(C)c(C)c1CNC(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000174051701	198285953	/nfs/dbraw/zinc/28/59/53/198285953.db2.gz	BKZJNHTXCMZGKH-UHFFFAOYSA-N	0	0	302.334	2.184	10	5		DEBERN
CC1(CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCC1	ZINC000175085574	198425458	/nfs/dbraw/zinc/42/54/58/198425458.db2.gz	YSORTNDAKNMQDX-UHFFFAOYSA-N	0	0	315.333	2.096	10	5		DEBERN
CC[C@@H](NC(=O)NCc1noc(C)n1)c1cccc([N+](=O)[O-])c1	ZINC000176333032	198574201	/nfs/dbraw/zinc/57/42/01/198574201.db2.gz	SMGXPYDDUWHZCG-GFCCVEGCSA-N	0	0	319.321	2.237	10	5		DEBERN
C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc2c(c1)OCCO2	ZINC000045904244	354266411	/nfs/dbraw/zinc/26/64/11/354266411.db2.gz	ANRSAWFKJBWGFJ-VIFPVBQESA-N	0	0	318.285	2.450	10	5		DEBERN
CNC(=O)c1ccsc1NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000004281741	181093048	/nfs/dbraw/zinc/09/30/48/181093048.db2.gz	OVSYVJMSJIOTOP-UHFFFAOYSA-N	0	0	305.315	2.268	10	5		DEBERN
Cc1csc(N2CCCN(c3ccc([N+](=O)[O-])cn3)CC2)n1	ZINC000057148327	354558253	/nfs/dbraw/zinc/55/82/53/354558253.db2.gz	RNNHDEYBCQVAGS-UHFFFAOYSA-N	0	0	319.390	2.471	10	5		DEBERN
O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCCO1	ZINC000182808588	199493900	/nfs/dbraw/zinc/49/39/00/199493900.db2.gz	NEDKYOBVLQAJNP-UHFFFAOYSA-N	0	0	315.123	2.064	10	5		DEBERN
Cc1csc(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1	ZINC000074818521	191365515	/nfs/dbraw/zinc/36/55/15/191365515.db2.gz	FYHUQWZAEUZUDU-UHFFFAOYSA-N	0	0	313.360	2.185	10	5		DEBERN
Cc1nn(CCC(=O)N2C[C@@H](C)CC[C@@H]2C)c(C)c1[N+](=O)[O-]	ZINC000075286666	191456743	/nfs/dbraw/zinc/45/67/43/191456743.db2.gz	GQHSXXMBSUUDLX-QWRGUYRKSA-N	0	0	308.382	2.445	10	5		DEBERN
CC(C)CCOC(=O)Cn1c(=O)ccc2cc([N+](=O)[O-])ccc21	ZINC000075313189	191462514	/nfs/dbraw/zinc/46/25/14/191462514.db2.gz	CFQKCEHQUYUZPY-UHFFFAOYSA-N	0	0	318.329	2.499	10	5		DEBERN
Cc1cc(NCc2ccnc(-n3ccnc3)c2)ncc1[N+](=O)[O-]	ZINC000080599897	355373585	/nfs/dbraw/zinc/37/35/85/355373585.db2.gz	JYKKGJGTZNNMFC-UHFFFAOYSA-N	0	0	310.317	2.491	10	5		DEBERN
COC(=O)[C@]1(C)CCN(c2cc(OC)cc(F)c2[N+](=O)[O-])C1	ZINC000092684039	355646607	/nfs/dbraw/zinc/64/66/07/355646607.db2.gz	LHFVMLGAHPLLFL-CQSZACIVSA-N	0	0	312.297	2.132	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C(C)(C)C	ZINC000122881376	355802238	/nfs/dbraw/zinc/80/22/38/355802238.db2.gz	NZFMNZDLXFQSRJ-SNVBAGLBSA-N	0	0	307.350	2.393	10	5		DEBERN
CCOC(=O)C(O)=Cc1cc(-c2ccccc2)ncc1[N+](=O)[O-]	ZINC000140440513	355885602	/nfs/dbraw/zinc/88/56/02/355885602.db2.gz	IEPCCVCTMNNTIY-UHFFFAOYSA-N	0	0	314.297	2.332	10	5		DEBERN
O=[N+]([O-])c1ccc(-c2nnc(I)o2)s1	ZINC000236157468	356289289	/nfs/dbraw/zinc/28/92/89/356289289.db2.gz	ZPGCTIVFUCAIFN-UHFFFAOYSA-N	0	0	323.071	2.311	10	5		DEBERN
CNc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)C(C)C	ZINC000081112993	192227585	/nfs/dbraw/zinc/22/75/85/192227585.db2.gz	MTIVMNZSJSZASZ-JTQLQIEISA-N	0	0	315.395	2.207	10	5		DEBERN
O=[N+]([O-])c1nn(CC2CCC(O)CC2)cc1Br	ZINC000292318538	356383644	/nfs/dbraw/zinc/38/36/44/356383644.db2.gz	BSWBUCBLPLVZSD-UHFFFAOYSA-N	0	0	304.144	2.105	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([C@H](C)O)C1	ZINC000184567068	199732603	/nfs/dbraw/zinc/73/26/03/199732603.db2.gz	ABLLDHPMWZCRCG-ZFYXDYSTSA-N	0	0	304.346	2.227	10	5		DEBERN
CN(CC1(CO)CC1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000187436197	200112252	/nfs/dbraw/zinc/11/22/52/200112252.db2.gz	FAPUBFGBNVGOCR-UHFFFAOYSA-N	0	0	313.741	2.484	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC1(CO)CC1	ZINC000189152378	200356766	/nfs/dbraw/zinc/35/67/66/200356766.db2.gz	KRQUQTDSXBXYEZ-FMIVXFBMSA-N	0	0	304.346	2.229	10	5		DEBERN
O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC(CO)C1	ZINC000192264320	200844720	/nfs/dbraw/zinc/84/47/20/200844720.db2.gz	JTQSDRRHBYDQEH-UHFFFAOYSA-N	0	0	319.239	2.070	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(=O)[C@@H](C)C1	ZINC000193921290	201146276	/nfs/dbraw/zinc/14/62/76/201146276.db2.gz	HUMTXONLSYMNAA-ZKQHCESOSA-N	0	0	302.330	2.436	10	5		DEBERN
C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)c1ccncc1	ZINC000610526655	361416948	/nfs/dbraw/zinc/41/69/48/361416948.db2.gz	YZLXFEUEQDROQD-SNVBAGLBSA-N	0	0	300.318	2.106	10	5		DEBERN
O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1CCC[C@@H](O)C1	ZINC000610769552	361463687	/nfs/dbraw/zinc/46/36/87/361463687.db2.gz	NDBSOYUMKRCXFZ-RKDXNWHRSA-N	0	0	316.155	2.468	10	5		DEBERN
Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1OCCC2	ZINC000368627318	283695796	/nfs/dbraw/zinc/69/57/96/283695796.db2.gz	WLRUYILZZQHBDT-UHFFFAOYSA-N	0	0	314.301	2.149	10	5		DEBERN
CCCNC(=O)[C@@H]1CCCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1	ZINC000611616366	361645268	/nfs/dbraw/zinc/64/52/68/361645268.db2.gz	YRDVFLMOIKKEBU-CYBMUJFWSA-N	0	0	320.393	2.349	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]2c2nncn2C)n1	ZINC000611617472	361645752	/nfs/dbraw/zinc/64/57/52/361645752.db2.gz	YNZLHPKEHNNZAZ-NSHDSACASA-N	0	0	302.338	2.077	10	5		DEBERN
CC[C@H](NS(=O)(=O)C[C@@H](C)OC)c1cccc([N+](=O)[O-])c1	ZINC000195337762	201380723	/nfs/dbraw/zinc/38/07/23/201380723.db2.gz	LMAKGCAGZGOFCL-MFKMUULPSA-N	0	0	316.379	2.000	10	5		DEBERN
COC(=O)[C@@H]1CCCCN1C(=O)c1cc(C)cc([N+](=O)[O-])c1	ZINC000050605985	291320823	/nfs/dbraw/zinc/32/08/23/291320823.db2.gz	MNFWJXVJZTXSPG-ZDUSSCGKSA-N	0	0	306.318	2.071	10	5		DEBERN
CCN(CC(C)(C)O)C(=O)c1cc(F)c(F)cc1[N+](=O)[O-]	ZINC000092967214	193189588	/nfs/dbraw/zinc/18/95/88/193189588.db2.gz	FIULEDGWPUDBQE-UHFFFAOYSA-N	0	0	302.277	2.106	10	5		DEBERN
O=[N+]([O-])c1cnc(N2CCCC[C@@H]2CO)c(Br)c1	ZINC000093434486	193251778	/nfs/dbraw/zinc/25/17/78/193251778.db2.gz	CSCWZXYJXMAPHH-MRVPVSSYSA-N	0	0	316.155	2.104	10	5		DEBERN
CC1(C)CCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N	ZINC000094332329	193359817	/nfs/dbraw/zinc/35/98/17/193359817.db2.gz	AGJUAJKUWCCYDT-LBPRGKRZSA-N	0	0	313.379	2.034	10	5		DEBERN
Cc1cc(NC(=O)[C@](C)(N)C(F)(F)F)c([N+](=O)[O-])cc1C	ZINC000094237590	193353939	/nfs/dbraw/zinc/35/39/39/193353939.db2.gz	QTGXTCLBXGNXPZ-NSHDSACASA-N	0	0	305.256	2.430	10	5		DEBERN
Nc1ccc(-c2nc([C@H]3CSCCO3)no2)cc1[N+](=O)[O-]	ZINC000094501981	193374182	/nfs/dbraw/zinc/37/41/82/193374182.db2.gz	NNFSAWNRRNHAKH-SNVBAGLBSA-N	0	0	308.319	2.032	10	5		DEBERN
Cc1cc(N)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1	ZINC000094780395	193397615	/nfs/dbraw/zinc/39/76/15/193397615.db2.gz	AZXRPVPFSHKHCG-UHFFFAOYSA-N	0	0	307.331	2.286	10	5		DEBERN
Cc1cc(=O)n([C@H](C)C(=O)Nc2ccccc2)cc1[N+](=O)[O-]	ZINC000096547911	193678323	/nfs/dbraw/zinc/67/83/23/193678323.db2.gz	ZVTCGQMCNFOXDB-LLVKDONJSA-N	0	0	301.302	2.265	10	5		DEBERN
O=C(Nc1cccc2c1OCC[C@@H]2O)c1ccc([N+](=O)[O-])o1	ZINC000185271719	284360254	/nfs/dbraw/zinc/36/02/54/284360254.db2.gz	JELVYBLSKDQCIC-JTQLQIEISA-N	0	0	304.258	2.256	10	5		DEBERN
C[C@H]1OCC[C@@H]1N(C)c1ncc(Br)cc1[N+](=O)[O-]	ZINC000160670925	197430272	/nfs/dbraw/zinc/43/02/72/197430272.db2.gz	JITKJGLWYNFQJC-APPZFPTMSA-N	0	0	316.155	2.366	10	5		DEBERN
Cc1csc(CNC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)n1	ZINC000021482005	182274207	/nfs/dbraw/zinc/27/42/07/182274207.db2.gz	GWVPFGQPJGSBDK-UHFFFAOYSA-N	0	0	320.374	2.356	10	5		DEBERN
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCSCC1	ZINC000075788980	291600401	/nfs/dbraw/zinc/60/04/01/291600401.db2.gz	RDIJODKPPYGNPY-UHFFFAOYSA-N	0	0	316.404	2.031	10	5		DEBERN
CCn1c2ccc([N+](=O)[O-])cc2s/c1=N\C(=O)c1ccno1	ZINC000101470094	193814353	/nfs/dbraw/zinc/81/43/53/193814353.db2.gz	VTKCPKAERKKHHF-SQFISAMPSA-N	0	0	318.314	2.360	10	5		DEBERN
NC(=O)CCCNc1ccc(Br)cc1[N+](=O)[O-]	ZINC000037660630	182918456	/nfs/dbraw/zinc/91/84/56/182918456.db2.gz	MQWHOUIOBTVEOQ-UHFFFAOYSA-N	0	0	302.128	2.035	10	5		DEBERN
O=[N+]([O-])c1c(-n2ccnc2)ncnc1N1CCc2ccccc21	ZINC000040586266	183106176	/nfs/dbraw/zinc/10/61/76/183106176.db2.gz	BSIGYDZDBSNGON-UHFFFAOYSA-N	0	0	308.301	2.265	10	5		DEBERN
O=C(NCCNc1ccccc1[N+](=O)[O-])Nc1nccs1	ZINC000042754884	183305216	/nfs/dbraw/zinc/30/52/16/183305216.db2.gz	QCRDEEQADASXEM-UHFFFAOYSA-N	0	0	307.335	2.285	10	5		DEBERN
O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(O)cc2)c(F)c1	ZINC000043474531	183366012	/nfs/dbraw/zinc/36/60/12/183366012.db2.gz	YCJDBAHAHUAFCH-UHFFFAOYSA-N	0	0	312.278	2.240	10	5		DEBERN
O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](C(F)(F)F)C1	ZINC000193361490	296283384	/nfs/dbraw/zinc/28/33/84/296283384.db2.gz	OGXQUWWRJQRFOS-MRVPVSSYSA-N	0	0	319.239	2.110	10	5		DEBERN
C[C@H]1CCC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N)C1	ZINC000050653675	183795174	/nfs/dbraw/zinc/79/51/74/183795174.db2.gz	ISXFEYVGSWUHPL-VHSXEESVSA-N	0	0	313.379	2.034	10	5		DEBERN
COC(=O)c1cc([N+](=O)[O-])c(NCC[C@@H](C)O)cc1Cl	ZINC000268853976	207021548	/nfs/dbraw/zinc/02/15/48/207021548.db2.gz	YOHLCMFHAYURSV-SSDOTTSWSA-N	0	0	302.714	2.218	10	5		DEBERN
CCOC(=O)CCN(C)c1cc(OC)c(F)cc1[N+](=O)[O-]	ZINC000110626033	194343642	/nfs/dbraw/zinc/34/36/42/194343642.db2.gz	ZDEPEWOPDHGROZ-UHFFFAOYSA-N	0	0	300.286	2.132	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](O)C(F)(F)F	ZINC000273435561	210774027	/nfs/dbraw/zinc/77/40/27/210774027.db2.gz	PZFCIZDUWSPRBS-LXSSAFMLSA-N	0	0	318.251	2.038	10	5		DEBERN
NNc1cccc(NC[C@H]2CSCCS2)c1[N+](=O)[O-]	ZINC000156856325	197145790	/nfs/dbraw/zinc/14/57/90/197145790.db2.gz	VDQRACLHHUPBMR-QMMMGPOBSA-N	0	0	300.409	2.141	10	5		DEBERN
O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1F	ZINC000059772842	184141066	/nfs/dbraw/zinc/14/10/66/184141066.db2.gz	DUZZGXXJVWOQEP-UHFFFAOYSA-N	0	0	321.239	2.450	10	5		DEBERN
C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(NN)c1)c1ccsc1	ZINC000061374416	184169444	/nfs/dbraw/zinc/16/94/44/184169444.db2.gz	YPOWDRBDGAZPMT-MRVPVSSYSA-N	0	0	306.347	2.433	10	5		DEBERN
CC[NH2+][C@@H](CCOc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000062539652	184241581	/nfs/dbraw/zinc/24/15/81/184241581.db2.gz	BSZSFYOIFFPZGY-JTQLQIEISA-N	0	0	302.714	2.080	10	5		DEBERN
CC(C)[NH2+][C@@H](CCOc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)[O-]	ZINC000062595658	184244645	/nfs/dbraw/zinc/24/46/45/184244645.db2.gz	IRZYAMSXRBVTKO-NSHDSACASA-N	0	0	316.741	2.468	10	5		DEBERN
CC(C)CN(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000064245242	184293087	/nfs/dbraw/zinc/29/30/87/184293087.db2.gz	WUYPURXBAJKVRL-UHFFFAOYSA-N	0	0	304.393	2.465	10	5		DEBERN
Cc1cc([N+](=O)[O-])c(Cl)cc1N[C@H]1CCS(=O)(=O)C1	ZINC000159196299	197335472	/nfs/dbraw/zinc/33/54/72/197335472.db2.gz	CBLZMJNHICILJT-QMMMGPOBSA-N	0	0	304.755	2.156	10	5		DEBERN
O=[N+]([O-])c1cc(F)c(Br)cc1N(CCO)C1CC1	ZINC000158789259	197301717	/nfs/dbraw/zinc/30/17/17/197301717.db2.gz	PYKPPPWLGDVHFY-UHFFFAOYSA-N	0	0	319.130	2.458	10	5		DEBERN
CC1(C)C[C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1	ZINC000158317230	197261891	/nfs/dbraw/zinc/26/18/91/197261891.db2.gz	PPSMTEDNYGYJGX-AWEZNQCLSA-N	0	0	303.362	2.290	10	5		DEBERN
CCSCC[C@H](C)NC(=O)c1ccc(NN)c([N+](=O)[O-])c1	ZINC000157334783	197180137	/nfs/dbraw/zinc/18/01/37/197180137.db2.gz	IJXQGIITUVOLTB-VIFPVBQESA-N	0	0	312.395	2.142	10	5		DEBERN
CN(Cc1cccs1)C(=O)c1cccc(NN)c1[N+](=O)[O-]	ZINC000157133224	197164563	/nfs/dbraw/zinc/16/45/63/197164563.db2.gz	FFKRVEKUDXTBPW-UHFFFAOYSA-N	0	0	306.347	2.214	10	5		DEBERN
CNc1cccc(C(=O)NCCc2nccs2)c1[N+](=O)[O-]	ZINC000157020417	197156545	/nfs/dbraw/zinc/15/65/45/197156545.db2.gz	MJWJVHLSSOJYOG-UHFFFAOYSA-N	0	0	306.347	2.066	10	5		DEBERN
CCCc1n[nH]c(C(=O)N2CCO[C@H]3CCCC[C@@H]32)c1[N+](=O)[O-]	ZINC000156471545	197116611	/nfs/dbraw/zinc/11/66/11/197116611.db2.gz	WBJPCSZBJZZCLU-RYUDHWBXSA-N	0	0	322.365	2.054	10	5		DEBERN
O=C(c1cccc([N+](=O)[O-])c1Br)N1CCCC1=O	ZINC000156217863	197096164	/nfs/dbraw/zinc/09/61/64/197096164.db2.gz	METWECBEEQRNFQ-UHFFFAOYSA-N	0	0	313.107	2.120	10	5		DEBERN
CCOC(=O)[C@]1(C)CCN(c2nc3sccn3c2[N+](=O)[O-])C1	ZINC000154910039	197003895	/nfs/dbraw/zinc/00/38/95/197003895.db2.gz	LOILWWAMUHBHPV-CYBMUJFWSA-N	0	0	324.362	2.084	10	5		DEBERN
CC[C@@H](C)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000152334778	196809057	/nfs/dbraw/zinc/80/90/57/196809057.db2.gz	KHFWORMVDUHEJC-MEBBXXQBSA-N	0	0	305.334	2.408	10	5		DEBERN
O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000151315396	196663402	/nfs/dbraw/zinc/66/34/02/196663402.db2.gz	QZMHMOQUQAMIAG-PBHICJAKSA-N	0	0	318.373	2.291	10	5		DEBERN
COc1cc([N+](=O)[O-])ccc1OCc1nsc(N(C)C)n1	ZINC000125553253	195762030	/nfs/dbraw/zinc/76/20/30/195762030.db2.gz	WARTVRCIEZQMDA-UHFFFAOYSA-N	0	0	310.335	2.100	10	5		DEBERN
O=C(NC[C@H](CO)C1CC1)c1cc2cc([N+](=O)[O-])ccc2o1	ZINC000359821594	133147077	/nfs/dbraw/zinc/14/70/77/133147077.db2.gz	LKMCXPJLROWVPZ-LLVKDONJSA-N	0	0	304.302	2.089	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CCN(CC(C)C)C(=O)[C@@H]2C)n1	ZINC000547958987	285660512	/nfs/dbraw/zinc/66/05/12/285660512.db2.gz	YJQNLBXMGSKFNJ-ZDUSSCGKSA-N	0	0	320.393	2.300	10	5		DEBERN
Cc1c(CN2CCO[C@@H](C(=O)C3CC3)C2)cccc1[N+](=O)[O-]	ZINC000548169520	285698643	/nfs/dbraw/zinc/69/86/43/285698643.db2.gz	GTQMUKQSBSLZBG-OAHLLOKOSA-N	0	0	304.346	2.083	10	5		DEBERN
Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@H]1c1ccccc1	ZINC000184460000	144944659	/nfs/dbraw/zinc/94/46/59/144944659.db2.gz	MGUPRGJIALAELM-YPMHNXCESA-N	0	0	312.329	2.106	10	5		DEBERN
Cc1ccnc(N2CCC[C@H](c3ccnc(N)n3)C2)c1[N+](=O)[O-]	ZINC000192756396	145078321	/nfs/dbraw/zinc/07/83/21/145078321.db2.gz	RCFICIKHNMZROW-NSHDSACASA-N	0	0	314.349	2.054	10	5		DEBERN
Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](c2ccnc(N)n2)C1	ZINC000192757736	145078353	/nfs/dbraw/zinc/07/83/53/145078353.db2.gz	STMLPIOZWXWOIK-LLVKDONJSA-N	0	0	314.349	2.054	10	5		DEBERN
Cc1nc(N2CCC[C@@H](c3ccnc(N)n3)C2)ccc1[N+](=O)[O-]	ZINC000192754282	145078545	/nfs/dbraw/zinc/07/85/45/145078545.db2.gz	LNFXQGKYSUPDGU-LLVKDONJSA-N	0	0	314.349	2.054	10	5		DEBERN
COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1csc([N+](=O)[O-])c1	ZINC000248802597	145168161	/nfs/dbraw/zinc/16/81/61/145168161.db2.gz	GHMMKZYPHHIRAN-GVXVVHGQSA-N	0	0	310.375	2.430	10	5		DEBERN
CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](CO)C2CC2)c1	ZINC000358292278	147106997	/nfs/dbraw/zinc/10/69/97/147106997.db2.gz	ARGLXJZXZVZAJH-SNVBAGLBSA-N	0	0	310.375	2.065	10	5		DEBERN
C=Cc1ccc(CCNC(=O)c2nn(CC)cc2[N+](=O)[O-])cc1	ZINC000360750832	147377944	/nfs/dbraw/zinc/37/79/44/147377944.db2.gz	PREOGSMOFZRNGO-UHFFFAOYSA-N	0	0	314.345	2.427	10	5		DEBERN
CNc1c(C(=O)NCCc2ccccc2O)cccc1[N+](=O)[O-]	ZINC000360950767	147416359	/nfs/dbraw/zinc/41/63/59/147416359.db2.gz	GZEDFQGUXXNQIG-UHFFFAOYSA-N	0	0	315.329	2.315	10	5		DEBERN
Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nc[nH]n2)c1	ZINC000370348332	148009481	/nfs/dbraw/zinc/00/94/81/148009481.db2.gz	KHXIBRFROJMATM-UHFFFAOYSA-N	0	0	324.300	2.214	10	5		DEBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1C[C@@H]1c1ccccc1	ZINC000110453454	401690859	/nfs/dbraw/zinc/69/08/59/401690859.db2.gz	PEABQRFJAGOIGY-UONOGXRCSA-N	0	0	314.345	2.020	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)CC(=O)N2	ZINC000113905467	401786745	/nfs/dbraw/zinc/78/67/45/401786745.db2.gz	MXOSMNIMFRREKL-UHFFFAOYSA-N	0	0	312.285	2.045	10	5		DEBERN
CSCC[C@@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000076312712	401790468	/nfs/dbraw/zinc/79/04/68/401790468.db2.gz	VVQIIJGDSRVNBT-MRVPVSSYSA-N	0	0	324.449	2.418	10	5		DEBERN
Cc1cc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc([N+](=O)[O-])c1	ZINC000116120523	401842942	/nfs/dbraw/zinc/84/29/42/401842942.db2.gz	UXKNNFKLXMPODD-GFCCVEGCSA-N	0	0	314.345	2.266	10	5		DEBERN
Cn1cc([C@@H]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cn1	ZINC000116410188	401852237	/nfs/dbraw/zinc/85/22/37/401852237.db2.gz	HQVKDFPCUPQLQS-LLVKDONJSA-N	0	0	315.333	2.350	10	5		DEBERN
COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC1(C)C	ZINC000077382802	401813415	/nfs/dbraw/zinc/81/34/15/401813415.db2.gz	GNHHIQAVGKGJGS-UHFFFAOYSA-N	0	0	307.350	2.416	10	5		DEBERN
CNC(=O)Cc1nc(COc2cccc([N+](=O)[O-])c2C)cs1	ZINC000081275743	401895000	/nfs/dbraw/zinc/89/50/00/401895000.db2.gz	FTVNUWBPCFGOPC-UHFFFAOYSA-N	0	0	321.358	2.227	10	5		DEBERN
O=[N+]([O-])c1cc(CNc2ccc(-n3cnnn3)cc2)cs1	ZINC000037562539	401914980	/nfs/dbraw/zinc/91/49/80/401914980.db2.gz	MAIYXFWWTLBZDD-UHFFFAOYSA-N	0	0	302.319	2.244	10	5		DEBERN
CCOC(=O)CC[C@@H](C)NC(=O)c1cc(C)cc([N+](=O)[O-])c1	ZINC000089806084	401965506	/nfs/dbraw/zinc/96/55/06/401965506.db2.gz	DWBIGYOCAFPCEG-LLVKDONJSA-N	0	0	308.334	2.365	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCO[C@H]2CCCC[C@@H]21	ZINC000046488199	401970154	/nfs/dbraw/zinc/97/01/54/401970154.db2.gz	MJEPYGSGOCGPAN-KBPBESRZSA-N	0	0	305.334	2.082	10	5		DEBERN
Cc1cccc(CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n1	ZINC000055277094	402078878	/nfs/dbraw/zinc/07/88/78/402078878.db2.gz	BWQWPMSMEZYPKU-UHFFFAOYSA-N	0	0	321.358	2.085	10	5		DEBERN
CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC(CO)C1	ZINC000122781561	402093968	/nfs/dbraw/zinc/09/39/68/402093968.db2.gz	SUXSHPXYPJUEEF-UHFFFAOYSA-N	0	0	310.375	2.160	10	5		DEBERN
C[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccc(F)cc1F	ZINC000123344494	402122685	/nfs/dbraw/zinc/12/26/85/402122685.db2.gz	UUHBIWKJIJFDLX-ZETCQYMHSA-N	0	0	310.260	2.130	10	5		DEBERN
Cc1ncc(CN2CCN(c3ccc([N+](=O)[O-])cn3)CC2)s1	ZINC000101557139	402148247	/nfs/dbraw/zinc/14/82/47/402148247.db2.gz	MQFKJHGGFXEVLL-UHFFFAOYSA-N	0	0	319.390	2.077	10	5		DEBERN
Cc1nn(C)cc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000068155120	402185588	/nfs/dbraw/zinc/18/55/88/402185588.db2.gz	XTFMSUKIHQWEII-SSDOTTSWSA-N	0	0	308.363	2.498	10	5		DEBERN
Cc1ccc(NCCCNC(=O)N[C@@H]2C[C@H]2C)c([N+](=O)[O-])c1	ZINC000154109879	402192647	/nfs/dbraw/zinc/19/26/47/402192647.db2.gz	JHRWOSPHJRREMQ-DGCLKSJQSA-N	0	0	306.366	2.413	10	5		DEBERN
COC(=O)[C@@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1	ZINC000125540097	402237523	/nfs/dbraw/zinc/23/75/23/402237523.db2.gz	GOXDPDNTKZAOGM-AWEZNQCLSA-N	0	0	308.334	2.001	10	5		DEBERN
C[C@@H](CO)[C@@H](C)Nc1ncc(Br)cc1[N+](=O)[O-]	ZINC000125654567	402243761	/nfs/dbraw/zinc/24/37/61/402243761.db2.gz	PWXRVAKIBYTPGU-NKWVEPMBSA-N	0	0	304.144	2.181	10	5		DEBERN
Cc1cnn(C[C@@H]2CN(c3c(C)cccc3[N+](=O)[O-])CCO2)c1	ZINC000108950134	402265105	/nfs/dbraw/zinc/26/51/05/402265105.db2.gz	HMPBETUVHREESV-AWEZNQCLSA-N	0	0	316.361	2.314	10	5		DEBERN
CCCCNC(=O)Cc1noc(-c2ccc([N+](=O)[O-])cc2C)n1	ZINC000109450322	402272323	/nfs/dbraw/zinc/27/23/23/402272323.db2.gz	KJTZHAFJKICWST-UHFFFAOYSA-N	0	0	318.333	2.412	10	5		DEBERN
COC(=O)c1cc(N(CCCCO)C2CC2)cc(C)c1[N+](=O)[O-]	ZINC000156430745	402282213	/nfs/dbraw/zinc/28/22/13/402282213.db2.gz	UCHIVYAEFAFMFM-UHFFFAOYSA-N	0	0	322.361	2.431	10	5		DEBERN
COCCCCS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1C	ZINC000185512446	402357995	/nfs/dbraw/zinc/35/79/95/402357995.db2.gz	GJJDRTNEGMQOQO-UHFFFAOYSA-N	0	0	303.336	2.038	10	5		DEBERN
O=[N+]([O-])c1cccc(S(=O)(=O)N(CC(F)F)C2CC2)c1	ZINC000185771380	402375267	/nfs/dbraw/zinc/37/52/67/402375267.db2.gz	PERZRLMQTXZDEW-UHFFFAOYSA-N	0	0	306.290	2.013	10	5		DEBERN
O=[N+]([O-])c1cc(CN2CCO[C@@]3(CCOC3)C2)ccc1Cl	ZINC000185148421	402328606	/nfs/dbraw/zinc/32/86/06/402328606.db2.gz	FEWPIGFUKNMBIC-AWEZNQCLSA-N	0	0	312.753	2.240	10	5		DEBERN
CCCNC(=O)CCC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1	ZINC000177783624	402436008	/nfs/dbraw/zinc/43/60/08/402436008.db2.gz	TWQHMMWTRRTDIB-AWEZNQCLSA-N	0	0	321.377	2.469	10	5		DEBERN
CC(C)(C(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1F	ZINC000164460042	402463044	/nfs/dbraw/zinc/46/30/44/402463044.db2.gz	QIFLMYNHADTHGJ-UHFFFAOYSA-N	0	0	320.324	2.024	10	5		DEBERN
O=c1ccn(Cc2ccn(-c3ccc(F)cc3)n2)cc1[N+](=O)[O-]	ZINC000178235526	402474816	/nfs/dbraw/zinc/47/48/16/402474816.db2.gz	ZGRONRVOSWCFIH-UHFFFAOYSA-N	0	0	314.276	2.130	10	5		DEBERN
C[C@@H](CCNc1ncnc2ccc([N+](=O)[O-])cc21)[S@](C)=O	ZINC000167233753	402490642	/nfs/dbraw/zinc/49/06/42/402490642.db2.gz	KPAGZFVWYBOKJO-JLTPVHFHSA-N	0	0	308.363	2.107	10	5		DEBERN
COC(=O)c1cncc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c1	ZINC000178403035	402494656	/nfs/dbraw/zinc/49/46/56/402494656.db2.gz	RQSJMTKTLAGSCU-UHFFFAOYSA-N	0	0	315.285	2.337	10	5		DEBERN
CCn1cc([C@H]2CN(c3nc(C)ccc3[N+](=O)[O-])CCO2)cn1	ZINC000189606521	402548108	/nfs/dbraw/zinc/54/81/08/402548108.db2.gz	VNZWGJZVAFOFQC-CQSZACIVSA-N	0	0	317.349	2.093	10	5		DEBERN
Cc1nc([C@H]2CCCN2CCn2cc([N+](=O)[O-])cn2)cs1	ZINC000189800853	402559078	/nfs/dbraw/zinc/55/90/78/402559078.db2.gz	QKEVXIBYNUYXDK-CYBMUJFWSA-N	0	0	307.379	2.393	10	5		DEBERN
Cc1nc(C)n(C[C@@H]2CCCN(c3ncc([N+](=O)[O-])s3)C2)n1	ZINC000190325786	402592922	/nfs/dbraw/zinc/59/29/22/402592922.db2.gz	WYCAQMKGLYSFEO-LLVKDONJSA-N	0	0	322.394	2.176	10	5		DEBERN
CNC(=O)[C@@H](NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)C(C)C	ZINC000179911423	402603121	/nfs/dbraw/zinc/60/31/21/402603121.db2.gz	QAQJVKYYLODWPW-ZDUSSCGKSA-N	0	0	321.377	2.020	10	5		DEBERN
COc1cc(C(=O)N2CC[C@H](C)[C@@H](OC)C2)cc([N+](=O)[O-])c1C	ZINC000190781932	402622409	/nfs/dbraw/zinc/62/24/09/402622409.db2.gz	STXIJBYCUHTMAF-BONVTDFDSA-N	0	0	322.361	2.409	10	5		DEBERN
COC[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccc(C)o1	ZINC000173704773	402708725	/nfs/dbraw/zinc/70/87/25/402708725.db2.gz	WBZCAIABKXCCPO-ZDUSSCGKSA-N	0	0	319.317	2.317	10	5		DEBERN
Cc1cnc(COC(=O)[C@@H]2CCCO[C@@H]2C)c(C)c1[N+](=O)[O-]	ZINC000192302641	402721499	/nfs/dbraw/zinc/72/14/99/402721499.db2.gz	RBLDWHITJWGLDH-VXGBXAGGSA-N	0	0	308.334	2.465	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)C(C)C	ZINC000172665667	402668904	/nfs/dbraw/zinc/66/89/04/402668904.db2.gz	WRHHDYWWGSHRRG-SNVBAGLBSA-N	0	0	316.379	2.174	10	5		DEBERN
CC(=O)N[C@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1	ZINC000255106139	402678834	/nfs/dbraw/zinc/67/88/34/402678834.db2.gz	XPXNLUSZSBIASA-QZDDGCDVSA-N	0	0	303.362	2.209	10	5		DEBERN
CCS[C@@H]1CCC[C@H]1NC(=O)c1nn(CC)cc1[N+](=O)[O-]	ZINC000191653760	402684687	/nfs/dbraw/zinc/68/46/87/402684687.db2.gz	HZPGDGVACJFSLK-MWLCHTKSSA-N	0	0	312.395	2.215	10	5		DEBERN
COCCN(CCOC)C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1	ZINC000182504733	402695700	/nfs/dbraw/zinc/69/57/00/402695700.db2.gz	YTGMKHAFGYWPLI-OUKQBFOZSA-N	0	0	322.361	2.120	10	5		DEBERN
NC(=O)c1cc([N+](=O)[O-])cnc1Oc1cnc2ccccc2c1	ZINC000191861546	402695914	/nfs/dbraw/zinc/69/59/14/402695914.db2.gz	LGFRNDSYXIHLRS-UHFFFAOYSA-N	0	0	310.269	2.429	10	5		DEBERN
CCOC(=O)[C@H](C)CNC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1	ZINC000183060678	402736111	/nfs/dbraw/zinc/73/61/11/402736111.db2.gz	XIIYJOAUZFPBCP-LMMOQWNQSA-N	0	0	320.345	2.314	10	5		DEBERN
CC(C)CC[C@@](C)(O)CNC(=O)CNc1ccccc1[N+](=O)[O-]	ZINC000175052634	402774692	/nfs/dbraw/zinc/77/46/92/402774692.db2.gz	VNMSQPLRNLLIQJ-MRXNPFEDSA-N	0	0	323.393	2.310	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2COc3ccccc32)cc1	ZINC000194624317	402806110	/nfs/dbraw/zinc/80/61/10/402806110.db2.gz	KKCXEWMLJVDHER-ZDUSSCGKSA-N	0	0	320.326	2.007	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CCc1ccncc1	ZINC000195363151	402843337	/nfs/dbraw/zinc/84/33/37/402843337.db2.gz	FKNRVYSIUIBLEW-UHFFFAOYSA-N	0	0	300.318	2.008	10	5		DEBERN
CC(C)[C@H]1C[C@H]1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000184195828	402826118	/nfs/dbraw/zinc/82/61/18/402826118.db2.gz	ORGVMBFWSNFNOT-CHWSQXEVSA-N	0	0	306.318	2.369	10	5		DEBERN
COc1ccc(CCNC(=O)c2cc([N+](=O)[O-])cnc2C)cc1	ZINC000195524092	402850553	/nfs/dbraw/zinc/85/05/53/402850553.db2.gz	TVJRVKRUDHOWFT-UHFFFAOYSA-N	0	0	315.329	2.279	10	5		DEBERN
NC(=O)c1cc([N+](=O)[O-])cnc1NCCOC1CCCCCC1	ZINC000265369333	402913059	/nfs/dbraw/zinc/91/30/59/402913059.db2.gz	AAZZWLUGOGPXAP-UHFFFAOYSA-N	0	0	322.365	2.240	10	5		DEBERN
CCn1nc(C)c([N+](=O)[O-])c1NCc1cn2c(n1)CCCC2	ZINC000280701821	403028263	/nfs/dbraw/zinc/02/82/63/403028263.db2.gz	KJTNBQLMPXLRBM-UHFFFAOYSA-N	0	0	304.354	2.265	10	5		DEBERN
CC(=O)c1cc([N+](=O)[O-])ccc1N1CCO[C@]2(CCCOC2)C1	ZINC000286686097	403541886	/nfs/dbraw/zinc/54/18/86/403541886.db2.gz	XGJUQLVVUNZYHV-MRXNPFEDSA-N	0	0	320.345	2.183	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCCC(F)(F)C2)cc1	ZINC000362921783	404005184	/nfs/dbraw/zinc/00/51/84/404005184.db2.gz	JEOHRLBQVACEGA-VIFPVBQESA-N	0	0	320.317	2.451	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C=Cc1nc2c(cnn2C)c(=O)[nH]1	ZINC000351340935	404556990	/nfs/dbraw/zinc/55/69/90/404556990.db2.gz	OYKGESYPNKRNRC-XQRVVYSFSA-N	0	0	311.301	2.456	10	5		DEBERN
CC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H]2CCC[C@@H](C1)C2O	ZINC000376175921	404813701	/nfs/dbraw/zinc/81/37/01/404813701.db2.gz	YDGISCUKRGYGCJ-HBBFGDNQSA-N	0	0	304.346	2.395	10	5		DEBERN
C/C=C\C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)OCC	ZINC000361549081	405128141	/nfs/dbraw/zinc/12/81/41/405128141.db2.gz	JAIHGASNECINNM-DXTPNHAXSA-N	0	0	324.308	2.362	10	5		DEBERN
O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1C[C@H]2CC[C@@H](C1)O2	ZINC000408249687	405151625	/nfs/dbraw/zinc/15/16/25/405151625.db2.gz	AYHYTLZGVRDAIA-PHIMTYICSA-N	0	0	301.302	2.080	10	5		DEBERN
Cc1cc(S(=O)(=O)N2CCCCCO2)ccc1[N+](=O)[O-]	ZINC000408286079	405162519	/nfs/dbraw/zinc/16/25/19/405162519.db2.gz	JPMHGEFIVDKEEL-UHFFFAOYSA-N	0	0	300.336	2.009	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@]2(CCCOC2)C1	ZINC000408298050	405165387	/nfs/dbraw/zinc/16/53/87/405165387.db2.gz	MWCVUCHTYRTIGV-INIZCTEOSA-N	0	0	319.361	2.331	10	5		DEBERN
Cc1sc(C(=O)N2CCN(C)[C@H](C(C)C)C2)cc1[N+](=O)[O-]	ZINC000408358399	405184142	/nfs/dbraw/zinc/18/41/42/405184142.db2.gz	OPDHGMBXTWTKOP-LBPRGKRZSA-N	0	0	311.407	2.377	10	5		DEBERN
CC[C@@H]1OCCC[C@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1	ZINC000408383180	405192529	/nfs/dbraw/zinc/19/25/29/405192529.db2.gz	HBQNPGSEQVKUHS-HIFRSBDPSA-N	0	0	319.361	2.080	10	5		DEBERN
Cc1nc(N(C)[C@@H](C)Cc2ccc(O)cc2)ncc1[N+](=O)[O-]	ZINC000450376630	405863830	/nfs/dbraw/zinc/86/38/30/405863830.db2.gz	HCNJOHNEOBAWOB-JTQLQIEISA-N	0	0	302.334	2.466	10	5		DEBERN
CO[C@H]1CC[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1	ZINC000471672261	406107329	/nfs/dbraw/zinc/10/73/29/406107329.db2.gz	UGQSYRKBDZONJA-JSGCOSHPSA-N	0	0	317.345	2.233	10	5		DEBERN
Cn1cccc1[C@@H]1CCCCN1C(=O)c1c[nH]nc1[N+](=O)[O-]	ZINC000571063471	406475165	/nfs/dbraw/zinc/47/51/65/406475165.db2.gz	GFIXKAFVQKHSAN-LBPRGKRZSA-N	0	0	303.322	2.024	10	5		DEBERN
COC(=O)c1cc([N+](=O)[O-])c([N+](=O)[O-])cc1Br	ZINC000575447820	406811086	/nfs/dbraw/zinc/81/10/86/406811086.db2.gz	DREDZFHQQSDVSI-UHFFFAOYSA-N	0	0	305.040	2.052	10	5		DEBERN
CCOC(=O)Cc1cc(Br)cc([N+](=O)[O-])c1OC	ZINC000575700559	406820612	/nfs/dbraw/zinc/82/06/12/406820612.db2.gz	VWHAJWOWJMDZRN-UHFFFAOYSA-N	0	0	318.123	2.472	10	5		DEBERN
COC(=O)Cc1c(Br)c(OC)ccc1[N+](=O)[O-]	ZINC000575713104	406822193	/nfs/dbraw/zinc/82/21/93/406822193.db2.gz	VKLJZZIZBUSEBV-UHFFFAOYSA-N	0	0	304.096	2.081	10	5		DEBERN
O=C(N[C@H]1CCOC1)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1	ZINC000131357814	196162039	/nfs/dbraw/zinc/16/20/39/196162039.db2.gz	NZAVWKNGCRIYFZ-ZETCQYMHSA-N	0	0	305.117	2.420	10	5		DEBERN
CCCNc1cc(S(=O)(=O)N2CCCC2)ccc1[N+](=O)[O-]	ZINC000131686481	196190968	/nfs/dbraw/zinc/19/09/68/196190968.db2.gz	HAZFNLOQZHHKSP-UHFFFAOYSA-N	0	0	313.379	2.201	10	5		DEBERN
CCNc1cc(S(=O)(=O)N[C@H](C)C(C)C)ccc1[N+](=O)[O-]	ZINC000131860888	196204498	/nfs/dbraw/zinc/20/44/98/196204498.db2.gz	PGTZEYIYVYXADT-SNVBAGLBSA-N	0	0	315.395	2.349	10	5		DEBERN
CCNc1cc(S(=O)(=O)N[C@@H](C)C2CC2)ccc1[N+](=O)[O-]	ZINC000131927096	196210987	/nfs/dbraw/zinc/21/09/87/196210987.db2.gz	QCJMEWHEOWFEEX-VIFPVBQESA-N	0	0	313.379	2.103	10	5		DEBERN
CCC[C@H](CC)NS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1	ZINC000132028604	196220504	/nfs/dbraw/zinc/22/05/04/196220504.db2.gz	FXIJISQFYNTGFV-VIFPVBQESA-N	0	0	301.368	2.034	10	5		DEBERN
CCNc1cccc(N[C@]2(C)CCS(=O)(=O)C2)c1[N+](=O)[O-]	ZINC000133106914	196312263	/nfs/dbraw/zinc/31/22/63/196312263.db2.gz	AFINFLXFGQRXAI-CYBMUJFWSA-N	0	0	313.379	2.016	10	5		DEBERN
O=c1ccc([N+](=O)[O-])cn1Cc1ccn(-c2ccc(F)cc2)n1	ZINC000133144001	196315114	/nfs/dbraw/zinc/31/51/14/196315114.db2.gz	JNZMHOIUFFJGER-UHFFFAOYSA-N	0	0	314.276	2.130	10	5		DEBERN
CC[C@H](CSC)NC(=O)c1cc(N)c(F)cc1[N+](=O)[O-]	ZINC000134196093	196369933	/nfs/dbraw/zinc/36/99/33/196369933.db2.gz	WLYXQMNFFROJSM-SSDOTTSWSA-N	0	0	301.343	2.188	10	5		DEBERN
C[C@H]1COCC[C@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000192829711	225143714	/nfs/dbraw/zinc/14/37/14/225143714.db2.gz	DDWYULYVQXADMM-WCBMZHEXSA-N	0	0	304.306	2.082	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)Cc2ccccc2C)n1	ZINC000191553419	225113391	/nfs/dbraw/zinc/11/33/91/225113391.db2.gz	UAVUWQWAYCROEO-GFCCVEGCSA-N	0	0	316.361	2.481	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ncc(C)s2)n1	ZINC000191656650	225115053	/nfs/dbraw/zinc/11/50/53/225115053.db2.gz	JIGWGXCALCDWNN-MRVPVSSYSA-N	0	0	309.351	2.067	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)c2cccc(O)c2)n1	ZINC000191846017	225117652	/nfs/dbraw/zinc/11/76/52/225117652.db2.gz	KRXOFMAXSAWOQC-SNVBAGLBSA-N	0	0	318.333	2.350	10	5		DEBERN
CC(C)O[C@H]1C[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C1(C)C	ZINC000361621709	424846058	/nfs/dbraw/zinc/84/60/58/424846058.db2.gz	NFUZXHSMMWTNMX-QWRGUYRKSA-N	0	0	319.365	2.642	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(C)=O)cc2)n1	ZINC000006125747	267356542	/nfs/dbraw/zinc/35/65/42/267356542.db2.gz	PNWFBNKAVRZAOM-UHFFFAOYSA-N	0	0	302.290	2.266	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)OCO2	ZINC000195518483	268571843	/nfs/dbraw/zinc/57/18/43/268571843.db2.gz	JXQMWLDZESGPPZ-UHFFFAOYSA-N	0	0	301.258	2.279	10	5		DEBERN
CN(C[C@@H]1CCCO1)c1ncc([N+](=O)[O-])cc1Br	ZINC000267258797	268644950	/nfs/dbraw/zinc/64/49/50/268644950.db2.gz	PTKHOHCXWCSGLQ-VIFPVBQESA-N	0	0	316.155	2.368	10	5		DEBERN
COc1cc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)ccc1[N+](=O)[O-]	ZINC000154370284	277797405	/nfs/dbraw/zinc/79/74/05/277797405.db2.gz	DDIIVRRUTHLLJP-TZMCWYRMSA-N	0	0	320.345	2.387	10	5		DEBERN
CC(C)c1ccc(CN2CCCN(C)C(=O)C2)cc1[N+](=O)[O-]	ZINC000191670176	278035741	/nfs/dbraw/zinc/03/57/41/278035741.db2.gz	LDJCWYQDBUTLEO-UHFFFAOYSA-N	0	0	305.378	2.382	10	5		DEBERN
O=C1NCC[C@H]1Sc1ccc(Br)cc1[N+](=O)[O-]	ZINC000179090759	280291275	/nfs/dbraw/zinc/29/12/75/280291275.db2.gz	WFRILAWMUVEXOH-SECBINFHSA-N	0	0	317.164	2.338	10	5		DEBERN
CC[C@@H](Nc1cncc(OCCO)n1)c1cccc([N+](=O)[O-])c1	ZINC000133145960	282009611	/nfs/dbraw/zinc/00/96/11/282009611.db2.gz	WFJKWNQFUGRTQJ-CYBMUJFWSA-N	0	0	318.333	2.319	10	5		DEBERN
COc1cc(F)c([N+](=O)[O-])c(NCCC2(C)OCCO2)c1	ZINC000302157299	533994868	/nfs/dbraw/zinc/99/48/68/533994868.db2.gz	NHTQJMKSTZAGIT-UHFFFAOYSA-N	0	0	300.286	2.308	10	5		DEBERN
COC(=O)c1cccc(CNc2cc(CO)ccc2[N+](=O)[O-])c1	ZINC000302022626	534265989	/nfs/dbraw/zinc/26/59/89/534265989.db2.gz	GHRDOSDSEHYESJ-UHFFFAOYSA-N	0	0	316.313	2.486	10	5		DEBERN
CCCNc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)C2CC2)c1	ZINC000050651908	517588463	/nfs/dbraw/zinc/58/84/63/517588463.db2.gz	PGXFGPUWKITFBA-UHFFFAOYSA-N	0	0	313.379	2.200	10	5		DEBERN
CC(=O)c1cc(NC[C@@H](CO)c2cccnc2)ccc1[N+](=O)[O-]	ZINC000340936852	534823123	/nfs/dbraw/zinc/82/31/23/534823123.db2.gz	JRVONQUFRUBPTF-ZDUSSCGKSA-N	0	0	315.329	2.380	10	5		DEBERN
Cc1ccnc(C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)n1	ZINC000363837187	525640534	/nfs/dbraw/zinc/64/05/34/525640534.db2.gz	VYWWFJWJGWUIAS-UHFFFAOYSA-N	0	0	316.317	2.306	10	5		DEBERN
CCOCC[C@@H](O)COc1ccc([N+](=O)[O-])c2ncccc12	ZINC000434637869	528865713	/nfs/dbraw/zinc/86/57/13/528865713.db2.gz	QJVWKVGQNYVVDJ-LLVKDONJSA-N	0	0	306.318	2.309	10	5		DEBERN
CC1(C)[C@H](O)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21	ZINC000408240896	535085193	/nfs/dbraw/zinc/08/51/93/535085193.db2.gz	QQGVWSPLFHWHAV-CYBMUJFWSA-N	0	0	303.318	2.062	10	5		DEBERN
CCc1n[nH]c(C(=O)N2CCC[C@@H]2c2ccco2)c1[N+](=O)[O-]	ZINC000192583273	535999563	/nfs/dbraw/zinc/99/95/63/535999563.db2.gz	SVKGUUTVOFXBJA-SNVBAGLBSA-N	0	0	304.306	2.451	10	5		DEBERN
O=C(OCCC1CC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000744287790	638207148	/nfs/dbraw/zinc/20/71/48/638207148.db2.gz	ZRXJIFVHZKBQSH-NSHDSACASA-N	0	0	322.317	2.136	10	5		DEBERN
C[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccncc1	ZINC000749467810	638653580	/nfs/dbraw/zinc/65/35/80/638653580.db2.gz	QURYRRPEODEFCV-SNVBAGLBSA-N	0	0	300.318	2.106	10	5		DEBERN
C/C(=C/C(=O)O[C@H](C)C(=O)NC(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000752355704	639174502	/nfs/dbraw/zinc/17/45/02/639174502.db2.gz	QZUUOUUQIJEZIL-UCQJPZFISA-N	0	0	320.345	2.454	10	5		DEBERN
C/C(=C\C(=O)N(C)Cc1cn[nH]c1)c1ccc([N+](=O)[O-])cc1	ZINC000752394826	639180912	/nfs/dbraw/zinc/18/09/12/639180912.db2.gz	ZCSIVIJAELMOCM-YRNVUSSQSA-N	0	0	300.318	2.380	10	5		DEBERN
O=C(Cn1cnc([N+](=O)[O-])n1)OCCCc1ccc(Cl)cc1	ZINC000740956769	640532464	/nfs/dbraw/zinc/53/24/64/640532464.db2.gz	ROZHERBHKFIRPG-UHFFFAOYSA-N	0	0	324.724	2.016	10	5		DEBERN
C/C(=C/C(=O)NC[C@H](CO)C(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000805320279	640849025	/nfs/dbraw/zinc/84/90/25/640849025.db2.gz	JHTNSHGMNPEEAW-ICDLMJIXSA-N	0	0	306.362	2.379	10	5		DEBERN
Cc1nn(CN2CCOc3cccc(F)c3C2)c(C)c1[N+](=O)[O-]	ZINC000800854968	645311672	/nfs/dbraw/zinc/31/16/72/645311672.db2.gz	BSCDBNKBMGZZCC-UHFFFAOYSA-N	0	0	320.324	2.399	10	5		DEBERN
CCCn1nccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000031770675	645651439	/nfs/dbraw/zinc/65/14/39/645651439.db2.gz	RPAWZLBLOQEGMN-UHFFFAOYSA-N	0	0	319.277	2.362	10	5		DEBERN
C/C(=C/C(=O)N[C@](C)(C(N)=O)C(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000804426774	645768508	/nfs/dbraw/zinc/76/85/08/645768508.db2.gz	FLWMSHNKNSGRNR-SLWQEBJJSA-N	0	0	319.361	2.014	10	5		DEBERN
C[C@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])N1CCCCC1=O	ZINC000804646364	645799785	/nfs/dbraw/zinc/79/97/85/645799785.db2.gz	ZVGUKLGIPRNBTC-SNVBAGLBSA-N	0	0	322.321	2.316	10	5		DEBERN
CC(C)n1nnnc1CN1c2ccc([N+](=O)[O-])cc2C[C@@H]1C	ZINC000170844425	648354103	/nfs/dbraw/zinc/35/41/03/648354103.db2.gz	ZTCGRDAOKPORNE-JTQLQIEISA-N	0	0	302.338	2.113	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC1(CO)CCC1	ZINC000588449308	777212151	/nfs/dbraw/zinc/21/21/51/777212151.db2.gz	GVPKFJLEIMDFHH-XFXZXTDPSA-N	0	0	304.346	2.277	10	5		DEBERN
O=[N+]([O-])c1sccc1NC1C[C@H]2CC[C@@H](C1)S2(=O)=O	ZINC000724339929	777278947	/nfs/dbraw/zinc/27/89/47/777278947.db2.gz	OKBOLEBMUGTZFO-CBLAIPOGSA-N	0	0	302.377	2.176	10	5		DEBERN
CS(=O)(=O)[C@H]1C[C@H](Nc2c(Cl)cccc2[N+](=O)[O-])C1	ZINC000714246655	792304121	/nfs/dbraw/zinc/30/41/21/792304121.db2.gz	APFHMCSBYUYFNU-ZKCHVHJHSA-N	0	0	304.755	2.236	10	5		DEBERN
Cc1ncn(Cc2ccc([N+](=O)[O-])cc2)c(=O)c1Br	ZINC000090766702	801433907	/nfs/dbraw/zinc/43/39/07/801433907.db2.gz	GJEZUHFUMSQKPM-UHFFFAOYSA-N	0	0	324.134	2.271	10	5		DEBERN
CCN1C[C@H](C(=O)O[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1=O	ZINC000084809889	1082157205	/nfs/dbraw/zinc/15/72/05/1082157205.db2.gz	NPBQMSFALFVVCL-WCQYABFASA-N	0	0	320.345	2.376	10	5		DEBERN
CCN1C[C@@H](C(=O)O[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1=O	ZINC000084809890	1082157218	/nfs/dbraw/zinc/15/72/18/1082157218.db2.gz	NPBQMSFALFVVCL-AAEUAGOBSA-N	0	0	320.345	2.376	10	5		DEBERN
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)CF	ZINC000702584673	1086443859	/nfs/dbraw/zinc/44/38/59/1086443859.db2.gz	WNMPWORMZBJQCM-ZETCQYMHSA-N	0	0	310.734	2.193	10	5		DEBERN
C[C@H]1[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)CCN1C	ZINC000719627430	1089320154	/nfs/dbraw/zinc/32/01/54/1089320154.db2.gz	VCOQGXOZJVTHDS-XVKPBYJWSA-N	0	0	315.171	2.257	10	5		DEBERN
CCOC(CCS(=O)(=O)c1ccccc1[N+](=O)[O-])OCC	ZINC000081908191	192337796	/nfs/dbraw/zinc/33/77/96/192337796.db2.gz	NXUXDZRKUPNKDK-UHFFFAOYSA-N	0	0	317.363	2.158	10	5		DEBERN
Cn1ncc([N+](=O)[O-])c1C(=O)NC1(C)CCC(F)(F)CC1	ZINC000612335521	361796018	/nfs/dbraw/zinc/79/60/18/361796018.db2.gz	XMEDQAQOTIPZRL-UHFFFAOYSA-N	0	0	302.281	2.026	10	5		DEBERN
CCOC(CC[S@](=O)c1ccc([N+](=O)[O-])cc1)OCC	ZINC000081917454	192338840	/nfs/dbraw/zinc/33/88/40/192338840.db2.gz	PYDRGSOKVFTEQR-HXUWFJFHSA-N	0	0	301.364	2.492	10	5		DEBERN
C[C@H]1C[C@H](C)N(C(=O)c2cc(Cl)c(NN)c([N+](=O)[O-])c2)C1	ZINC000165179827	197671127	/nfs/dbraw/zinc/67/11/27/197671127.db2.gz	WNVCZDHRZNUZEI-YUMQZZPRSA-N	0	0	312.757	2.404	10	5		DEBERN
CC[C@H](C)C[C@@H](C)NS(=O)(=O)c1ccc(N)cc1[N+](=O)[O-]	ZINC000088311761	185245158	/nfs/dbraw/zinc/24/51/58/185245158.db2.gz	VDKYPFRADGPZPU-VHSXEESVSA-N	0	0	315.395	2.280	10	5		DEBERN
O=[N+]([O-])c1nn([C@H]2CCCCC[C@H]2O)cc1Br	ZINC000088765783	185264402	/nfs/dbraw/zinc/26/44/02/185264402.db2.gz	WJQTWIVSOJGUGU-DTWKUNHWSA-N	0	0	304.144	2.420	10	5		DEBERN
Cc1ccc(N)c(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c1	ZINC000165853344	197682531	/nfs/dbraw/zinc/68/25/31/197682531.db2.gz	IGCCMPPXULBEST-UHFFFAOYSA-N	0	0	306.343	2.459	10	5		DEBERN
COC(=O)[C@H](C)C[S@@](=O)Cc1ccc([N+](=O)[O-])cc1Cl	ZINC000090105157	185282428	/nfs/dbraw/zinc/28/24/28/185282428.db2.gz	CFNDQJAJMXUMDS-SQFXPLBJSA-N	0	0	319.766	2.306	10	5		DEBERN
CC[C@H](NS(=O)(=O)CCCF)c1cccc([N+](=O)[O-])c1	ZINC000090203239	185286876	/nfs/dbraw/zinc/28/68/76/185286876.db2.gz	SXOMIXAFQWYXEW-LBPRGKRZSA-N	0	0	304.343	2.325	10	5		DEBERN
C[C@H](C[S@](C)=O)Nc1c(F)cc([N+](=O)[O-])c2cccnc21	ZINC000169061695	197732392	/nfs/dbraw/zinc/73/23/92/197732392.db2.gz	LOTYKUQNGAZQTD-IJSAXESFSA-N	0	0	311.338	2.461	10	5		DEBERN
COC(=O)[C@H]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000170533830	197778803	/nfs/dbraw/zinc/77/88/03/197778803.db2.gz	ZCSNYDJRRISHSB-JSGCOSHPSA-N	0	0	320.345	2.304	10	5		DEBERN
O=C(c1c(Cl)cccc1[N+](=O)[O-])N1[C@@H]2CC[C@H]1CC(O)C2	ZINC000111386848	185591099	/nfs/dbraw/zinc/59/10/99/185591099.db2.gz	APIQVUIMQUWTDO-ULKQDVFKSA-N	0	0	310.737	2.376	10	5		DEBERN
C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CC2(CCOCC2)O1	ZINC000279721821	215090201	/nfs/dbraw/zinc/09/02/01/215090201.db2.gz	IXYZWFFPCPFUJB-LLVKDONJSA-N	0	0	312.391	2.426	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(N2CCO[C@H](c3nccs3)C2)n1	ZINC000123915705	185855914	/nfs/dbraw/zinc/85/59/14/185855914.db2.gz	JPPDEXNQWKFYTP-NSHDSACASA-N	0	0	306.347	2.333	10	5		DEBERN
CC[C@H](CC1CC1)NS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1	ZINC000070106743	190858656	/nfs/dbraw/zinc/85/86/56/190858656.db2.gz	PEPVSWBQMOSJFU-SNVBAGLBSA-N	0	0	313.379	2.034	10	5		DEBERN
C[C@H]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1	ZINC000071152550	190936619	/nfs/dbraw/zinc/93/66/19/190936619.db2.gz	QHEMDCPHJCJQIH-ONGXEEELSA-N	0	0	314.363	2.200	10	5		DEBERN
O=[N+]([O-])c1ccc(Br)cc1NN1CCOCC1	ZINC000148484552	186044456	/nfs/dbraw/zinc/04/44/56/186044456.db2.gz	OMIRFMZHOQQZQR-UHFFFAOYSA-N	0	0	302.128	2.016	10	5		DEBERN
Nc1ncnc(Oc2cc([N+](=O)[O-])ccc2Cl)c1[N+](=O)[O-]	ZINC000148604742	186044958	/nfs/dbraw/zinc/04/49/58/186044958.db2.gz	FNUIWZSWWLTGGR-UHFFFAOYSA-N	0	0	311.641	2.321	10	5		DEBERN
CN(C1CCC1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000143742647	186034088	/nfs/dbraw/zinc/03/40/88/186034088.db2.gz	TWEHSKJAXILLBZ-UHFFFAOYSA-N	0	0	304.755	2.421	10	5		DEBERN
Cn1ccc2c(cnc3ccn(-c4ccccc4)c(=O)c32)c1=O	ZINC000072452745	191171541	/nfs/dbraw/zinc/17/15/41/191171541.db2.gz	WBKLEFMYZKAMOJ-UHFFFAOYSA-N	0	0	303.321	2.238	10	5		DEBERN
C[C@H]1COC[C@H](C)N1Cc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000077365592	290980738	/nfs/dbraw/zinc/98/07/38/290980738.db2.gz	OBZAYOVTPFYKII-QWRGUYRKSA-N	0	0	308.334	2.071	10	5		DEBERN
Cc1sc(C(=O)NCc2nnc(C(C)C)n2C)cc1[N+](=O)[O-]	ZINC000183495944	199604033	/nfs/dbraw/zinc/60/40/33/199604033.db2.gz	AMLXNSUNTNLMMT-UHFFFAOYSA-N	0	0	323.378	2.147	10	5		DEBERN
COc1ccc(C)cc1NC(=O)Cn1c(C)ncc1[N+](=O)[O-]	ZINC000007344363	354002222	/nfs/dbraw/zinc/00/22/22/354002222.db2.gz	ILWZZSMPOQVHHE-UHFFFAOYSA-N	0	0	304.306	2.055	10	5		DEBERN
CCN(CC)C(=O)[C@@H]1CCCN1c1cc(C)c([N+](=O)[O-])cn1	ZINC000080601075	355373682	/nfs/dbraw/zinc/37/36/82/355373682.db2.gz	MKTIOTRADOGILV-LBPRGKRZSA-N	0	0	306.366	2.135	10	5		DEBERN
Cc1ccc(NC(=O)[C@@H](C)n2cc([N+](=O)[O-])ccc2=O)cc1	ZINC000005038954	181195143	/nfs/dbraw/zinc/19/51/43/181195143.db2.gz	NORRZDQWCGYJBZ-LLVKDONJSA-N	0	0	301.302	2.265	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H](C)[C@@H](O)C1	ZINC000089406374	355530346	/nfs/dbraw/zinc/53/03/46/355530346.db2.gz	UVMPQUATHXKCKI-ZANVPECISA-N	0	0	306.362	2.363	10	5		DEBERN
CCc1nn(C)c(N[C@H](C)Cc2c(C)nn(C)c2C)c1[N+](=O)[O-]	ZINC000094168016	355696425	/nfs/dbraw/zinc/69/64/25/355696425.db2.gz	ZHVIPDAJQXMYQB-SECBINFHSA-N	0	0	320.397	2.284	10	5		DEBERN
O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1ccncc1	ZINC000005380887	181236911	/nfs/dbraw/zinc/23/69/11/181236911.db2.gz	HYQZJGFLOWBJFG-UHFFFAOYSA-N	0	0	308.297	2.262	10	5		DEBERN
CNC(=O)Cc1nc(COc2ccc([N+](=O)[O-])c(C)c2)cs1	ZINC000081275632	192244711	/nfs/dbraw/zinc/24/47/11/192244711.db2.gz	PVZBYYNYOMFCTE-UHFFFAOYSA-N	0	0	321.358	2.227	10	5		DEBERN
CCOCC(=O)Nc1ccc(Br)cc1[N+](=O)[O-]	ZINC000081565235	192292580	/nfs/dbraw/zinc/29/25/80/192292580.db2.gz	PVBOVTZXUWGHIV-UHFFFAOYSA-N	0	0	303.112	2.332	10	5		DEBERN
O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1c1nc[nH]n1	ZINC000179743245	199075430	/nfs/dbraw/zinc/07/54/30/199075430.db2.gz	BKEIAGSCLVQMGL-LBPRGKRZSA-N	0	0	316.321	2.472	10	5		DEBERN
Cc1sc(C(=O)N[C@H](CCO)c2ccco2)cc1[N+](=O)[O-]	ZINC000187974026	200185099	/nfs/dbraw/zinc/18/50/99/200185099.db2.gz	DICLBSDVHXWJOG-SECBINFHSA-N	0	0	310.331	2.411	10	5		DEBERN
COc1cccc2c1OC[C@@H](Nc1ccc([N+](=O)[O-])nc1)C2	ZINC000609797230	361339585	/nfs/dbraw/zinc/33/95/85/361339585.db2.gz	VTFCVHKYPRLLTQ-LBPRGKRZSA-N	0	0	301.302	2.414	10	5		DEBERN
CCc1cnc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)s1	ZINC000610281242	361379887	/nfs/dbraw/zinc/37/98/87/361379887.db2.gz	KHYBKSNOKXJHBV-UHFFFAOYSA-N	0	0	319.390	2.335	10	5		DEBERN
CCOc1cccc(CCNC(=O)c2cccc([N+](=O)[O-])c2)n1	ZINC000610760321	361461755	/nfs/dbraw/zinc/46/17/55/361461755.db2.gz	ASIFZVJVNDMEFW-UHFFFAOYSA-N	0	0	315.329	2.361	10	5		DEBERN
C[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccncc1	ZINC000611528723	361623100	/nfs/dbraw/zinc/62/31/00/361623100.db2.gz	UFDWSEHWPVTSDH-SNVBAGLBSA-N	0	0	300.318	2.106	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CCC(CC(=O)N(C)C)CC2)n1	ZINC000611617497	361645148	/nfs/dbraw/zinc/64/51/48/361645148.db2.gz	CPWBTHSJQZTWLV-UHFFFAOYSA-N	0	0	320.393	2.301	10	5		DEBERN
COCCCOCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000091152416	193007048	/nfs/dbraw/zinc/00/70/48/193007048.db2.gz	AUKVUBSNCZIEIO-UHFFFAOYSA-N	0	0	310.350	2.028	10	5		DEBERN
O=C1C(=O)N(C/C(Cl)=C/Cl)c2ccc([N+](=O)[O-])cc21	ZINC000092025903	193143460	/nfs/dbraw/zinc/14/34/60/193143460.db2.gz	YNPRCHORQQNWLF-XQRVVYSFSA-N	0	0	301.085	2.443	10	5		DEBERN
Cc1nn(C)cc1CC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1	ZINC000450055643	241393880	/nfs/dbraw/zinc/39/38/80/241393880.db2.gz	FWJLZIROAKERIJ-NSHDSACASA-N	0	0	316.361	2.365	10	5		DEBERN
O=[N+]([O-])c1cnc2ccc(N3CCC[C@]4(CCSC4)C3)nn21	ZINC000450898330	242363179	/nfs/dbraw/zinc/36/31/79/242363179.db2.gz	BVTXRMDNUAECHN-AWEZNQCLSA-N	0	0	319.390	2.361	10	5		DEBERN
O=C(N[C@@H]1Cc2ccccc2[C@@H]1O)c1csc([N+](=O)[O-])c1	ZINC000178320405	284149543	/nfs/dbraw/zinc/14/95/43/284149543.db2.gz	IHWPLRFTKMGXBN-YPMHNXCESA-N	0	0	304.327	2.044	10	5		DEBERN
CCc1c(N)nnn1-c1ccc([N+](=O)[O-])cc1Br	ZINC000093327659	193233508	/nfs/dbraw/zinc/23/35/08/193233508.db2.gz	IPCNXHQPRHBYQH-UHFFFAOYSA-N	0	0	312.127	2.083	10	5		DEBERN
CC(=O)CC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1	ZINC000094188739	193347950	/nfs/dbraw/zinc/34/79/50/193347950.db2.gz	RMFLQMIGKIPBJS-UHFFFAOYSA-N	0	0	301.096	2.275	10	5		DEBERN
O=C(/C=C/c1ccc([N+](=O)[O-])s1)N1CCCC[C@H]1CCO	ZINC000096574672	193681062	/nfs/dbraw/zinc/68/10/62/193681062.db2.gz	XOMZVEHQVSJBIJ-MALLOTDXSA-N	0	0	310.375	2.433	10	5		DEBERN
COC(=O)CCNc1cc(F)c(Br)cc1[N+](=O)[O-]	ZINC000097367710	193711626	/nfs/dbraw/zinc/71/16/26/193711626.db2.gz	FTCLIUUKVDIKSP-UHFFFAOYSA-N	0	0	321.102	2.471	10	5		DEBERN
Cc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2NN)s1	ZINC000161527868	197501612	/nfs/dbraw/zinc/50/16/12/197501612.db2.gz	PQPIAYNFZSYWSA-UHFFFAOYSA-N	0	0	306.347	2.180	10	5		DEBERN
O=C1C=C(Nc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1	ZINC000021945763	182299830	/nfs/dbraw/zinc/29/98/30/182299830.db2.gz	CWHIHRXXKOZPOQ-UHFFFAOYSA-N	0	0	323.308	2.460	10	5		DEBERN
CCOc1ccc(C(=O)N[C@H]2CC23CCOCC3)cc1[N+](=O)[O-]	ZINC000456220554	247026155	/nfs/dbraw/zinc/02/61/55/247026155.db2.gz	RFHWERJDYMHKAZ-AWEZNQCLSA-N	0	0	320.345	2.292	10	5		DEBERN
COCCNc1ncnc(NCc2ccc(C)cc2)c1[N+](=O)[O-]	ZINC000040650685	183114198	/nfs/dbraw/zinc/11/41/98/183114198.db2.gz	XZISEAUIZRFEGM-UHFFFAOYSA-N	0	0	317.349	2.364	10	5		DEBERN
Nc1ccccc1S(=O)(=O)Cc1cc(F)ccc1[N+](=O)[O-]	ZINC000042192091	183239955	/nfs/dbraw/zinc/23/99/55/183239955.db2.gz	SKGATPQLSCWAPR-UHFFFAOYSA-N	0	0	310.306	2.290	10	5		DEBERN
C[C@@H](N(C)S(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1)C(C)(C)C	ZINC000042782306	183308499	/nfs/dbraw/zinc/30/84/99/183308499.db2.gz	UGWKTHOOPBIXFK-SECBINFHSA-N	0	0	315.395	2.232	10	5		DEBERN
C[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1cccc(Cl)c1	ZINC000043269237	183349414	/nfs/dbraw/zinc/34/94/14/183349414.db2.gz	XCHFSAOEDBVMLV-SECBINFHSA-N	0	0	308.725	2.322	10	5		DEBERN
CCOC(=O)C[C@@H](C)n1cc(Br)c([N+](=O)[O-])n1	ZINC000043622160	183376360	/nfs/dbraw/zinc/37/63/60/183376360.db2.gz	CCSZCYMYMXPAKD-ZCFIWIBFSA-N	0	0	306.116	2.068	10	5		DEBERN
Cc1cc(C(=O)N[C@@H]2COc3ccccc32)c(N)c([N+](=O)[O-])c1	ZINC000104872976	194048708	/nfs/dbraw/zinc/04/87/08/194048708.db2.gz	FEWBIHDAIAAZHR-GFCCVEGCSA-N	0	0	313.313	2.349	10	5		DEBERN
COc1ccc(CN2CCC[C@@H](n3cncn3)C2)cc1[N+](=O)[O-]	ZINC000105898876	194164551	/nfs/dbraw/zinc/16/45/51/194164551.db2.gz	CHUALQWDXKTWOI-CYBMUJFWSA-N	0	0	317.349	2.032	10	5		DEBERN
C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1N	ZINC000050635616	183792687	/nfs/dbraw/zinc/79/26/87/183792687.db2.gz	BDXGYVVWVPXEDF-UWVGGRQHSA-N	0	0	313.379	2.129	10	5		DEBERN
CNc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H](C)C(C)C)c1	ZINC000050657660	183795502	/nfs/dbraw/zinc/79/55/02/183795502.db2.gz	SCJWHRSTQDTNSM-JTQLQIEISA-N	0	0	315.395	2.302	10	5		DEBERN
CCNc1ccc(S(=O)(=O)N2CC[C@@H](C)C2)c([N+](=O)[O-])c1	ZINC000050669577	183796678	/nfs/dbraw/zinc/79/66/78/183796678.db2.gz	YLXVMVIVVJZEOZ-SNVBAGLBSA-N	0	0	313.379	2.057	10	5		DEBERN
CCNc1snnc1Cn1ncc2ccc([N+](=O)[O-])cc21	ZINC000050828941	183805556	/nfs/dbraw/zinc/80/55/56/183805556.db2.gz	CKJPYAUOTKYCIT-UHFFFAOYSA-N	0	0	304.335	2.276	10	5		DEBERN
C[C@@H]1CCCN(C(=O)c2cc(Cl)c(NN)c([N+](=O)[O-])c2)C1	ZINC000051095837	183814840	/nfs/dbraw/zinc/81/48/40/183814840.db2.gz	FWMMIDMQNXRNJL-MRVPVSSYSA-N	0	0	312.757	2.406	10	5		DEBERN
CC[C@@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(C)C	ZINC000057485469	184039983	/nfs/dbraw/zinc/03/99/83/184039983.db2.gz	HJMUWEOIHAGSCZ-SNVBAGLBSA-N	0	0	304.343	2.447	10	5		DEBERN
CCNc1sc(S(=O)(=O)N[C@@H](C)CC)cc1[N+](=O)[O-]	ZINC000157548034	197196432	/nfs/dbraw/zinc/19/64/32/197196432.db2.gz	SSJHYMZWVGNCDM-ZETCQYMHSA-N	0	0	307.397	2.165	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2cccs2)s1	ZINC000064243292	184293213	/nfs/dbraw/zinc/29/32/13/184293213.db2.gz	AJJLXDXFFHPBCF-UHFFFAOYSA-N	0	0	318.401	2.239	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccsc2)s1	ZINC000066000503	184384301	/nfs/dbraw/zinc/38/43/01/184384301.db2.gz	WCULQJLCUVGSLQ-UHFFFAOYSA-N	0	0	304.374	2.196	10	5		DEBERN
C[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)CO1	ZINC000119861379	195051202	/nfs/dbraw/zinc/05/12/02/195051202.db2.gz	WKZQAGBYWHJMSN-VHSXEESVSA-N	0	0	303.318	2.326	10	5		DEBERN
O=C(N[C@@H](c1ccco1)c1ccccc1)c1[nH]ncc1[N+](=O)[O-]	ZINC000159191518	197333763	/nfs/dbraw/zinc/33/37/63/197333763.db2.gz	YTBLBBGQJPCWAT-CYBMUJFWSA-N	0	0	312.285	2.430	10	5		DEBERN
O=[N+]([O-])c1cc(F)c(Br)cc1N1CC[C@@H](O)C1	ZINC000158793756	197302290	/nfs/dbraw/zinc/30/22/90/197302290.db2.gz	ALUFSBBUOSBJFF-ZCFIWIBFSA-N	0	0	305.103	2.067	10	5		DEBERN
C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H]1C	ZINC000246253878	296398731	/nfs/dbraw/zinc/39/87/31/296398731.db2.gz	SWGRCAGRFNFACG-BDAKNGLRSA-N	0	0	304.393	2.465	10	5		DEBERN
COC(=O)[C@@]12CCC[C@H]1CN(c1ccc([N+](=O)[O-])c(OC)c1)C2	ZINC000302206844	533153502	/nfs/dbraw/zinc/15/35/02/533153502.db2.gz	XIDYGLWYDISQNT-MEDUHNTESA-N	0	0	320.345	2.383	10	5		DEBERN
COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)[C@H]1CCCO1	ZINC000156112821	197087754	/nfs/dbraw/zinc/08/77/54/197087754.db2.gz	NTVSMUUJXRENQU-JOYOIKCWSA-N	0	0	309.322	2.292	10	5		DEBERN
CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H](C)C1	ZINC000182846227	285394659	/nfs/dbraw/zinc/39/46/59/285394659.db2.gz	FBFZHKXJBMVGMR-YPMHNXCESA-N	0	0	321.377	2.103	10	5		DEBERN
CC(C)OCc1nc([C@@H](C)Nc2ccc([N+](=O)[O-])nc2)no1	ZINC000357782120	133099641	/nfs/dbraw/zinc/09/96/41/133099641.db2.gz	MPSRKANMBVBGPB-SECBINFHSA-N	0	0	307.310	2.471	10	5		DEBERN
CC(C)NC(=O)c1ccc(NC[C@H](CO)C2CC2)c([N+](=O)[O-])c1	ZINC000357783401	133099837	/nfs/dbraw/zinc/09/98/37/133099837.db2.gz	ONIFXDPREUKUCB-CYBMUJFWSA-N	0	0	321.377	2.163	10	5		DEBERN
Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(CCCO)c1	ZINC000359599513	133133601	/nfs/dbraw/zinc/13/36/01/133133601.db2.gz	CEINQALOFWJFPM-UHFFFAOYSA-N	0	0	315.329	2.354	10	5		DEBERN
Cc1cccnc1N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000359905696	133152109	/nfs/dbraw/zinc/15/21/09/133152109.db2.gz	DHTNBAXMTPEQNF-UHFFFAOYSA-N	0	0	321.358	2.264	10	5		DEBERN
C[C@@H]1[C@H](CO)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000362475596	133232346	/nfs/dbraw/zinc/23/23/46/133232346.db2.gz	ZGIXMYKBFHFEIE-BDAKNGLRSA-N	0	0	313.741	2.483	10	5		DEBERN
CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1	ZINC000376455663	133295344	/nfs/dbraw/zinc/29/53/44/133295344.db2.gz	RRJBAYIXKNAQMX-ISOBSLSZSA-N	0	0	317.345	2.219	10	5		DEBERN
C[C@H](C(=O)N(C)CC1CC(O)C1)c1ccc([N+](=O)[O-])cc1F	ZINC000188877344	145019084	/nfs/dbraw/zinc/01/90/84/145019084.db2.gz	JCNZWOCJSMBNEB-BMQDGWLCSA-N	0	0	310.325	2.067	10	5		DEBERN
CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)c1nnc2n1CCCC2	ZINC000192693099	145077306	/nfs/dbraw/zinc/07/73/06/145077306.db2.gz	DXTYXVQELYTFNO-JTQLQIEISA-N	0	0	319.369	2.221	10	5		DEBERN
Cc1cc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c(N)c([N+](=O)[O-])c1	ZINC000246760930	145113450	/nfs/dbraw/zinc/11/34/50/145113450.db2.gz	GHAVXPROSDGWSH-CUOATXAZSA-N	0	0	319.361	2.029	10	5		DEBERN
O=[N+]([O-])c1ccc(N2CC[C@H](OCc3ccncc3)C2)cn1	ZINC000358900669	147227329	/nfs/dbraw/zinc/22/73/29/147227329.db2.gz	IWLMIYCVBINNFF-AWEZNQCLSA-N	0	0	300.318	2.180	10	5		DEBERN
CCOc1ccc(C(=O)N2CCC3(CCO3)CC2)cc1[N+](=O)[O-]	ZINC000374402569	148242659	/nfs/dbraw/zinc/24/26/59/148242659.db2.gz	PPWYSBJXDJOEJX-UHFFFAOYSA-N	0	0	320.345	2.389	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]2COCC[C@H]21	ZINC000408001391	148553295	/nfs/dbraw/zinc/55/32/95/148553295.db2.gz	PLBQBPWHCQMQTB-QMTHXVAHSA-N	0	0	308.309	2.375	10	5		DEBERN
CSc1ccc([N+](=O)[O-])c(C(=O)N2[C@@H](C)CN(C)C[C@@H]2C)c1	ZINC000127164357	401722866	/nfs/dbraw/zinc/72/28/66/401722866.db2.gz	XMHGKJJALGBEJK-QWRGUYRKSA-N	0	0	323.418	2.481	10	5		DEBERN
COc1cc(CN(C)C[C@H]2CCCO2)c([N+](=O)[O-])cc1OC	ZINC000128044882	401760888	/nfs/dbraw/zinc/76/08/88/401760888.db2.gz	TVHUVUMMFXIDNJ-GFCCVEGCSA-N	0	0	310.350	2.223	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCC(C)C	ZINC000075660251	401766446	/nfs/dbraw/zinc/76/64/46/401766446.db2.gz	YUEFSDONCOPQAO-UHFFFAOYSA-N	0	0	316.379	2.318	10	5		DEBERN
COCCOC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1	ZINC000116826551	401860945	/nfs/dbraw/zinc/86/09/45/401860945.db2.gz	YESQWRJGIJNTIB-UHFFFAOYSA-N	0	0	322.361	2.171	10	5		DEBERN
O=C(NCCc1cccnc1)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000129987336	401814206	/nfs/dbraw/zinc/81/42/06/401814206.db2.gz	RIYNFPDPZPHKDL-UHFFFAOYSA-N	0	0	310.313	2.444	10	5		DEBERN
CCOc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-]	ZINC000032516374	401879326	/nfs/dbraw/zinc/87/93/26/401879326.db2.gz	NHDVUFSMVYQLLM-GHMZBOCLSA-N	0	0	308.334	2.243	10	5		DEBERN
COC(=O)C1(C(=O)O[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1	ZINC000133337811	401882768	/nfs/dbraw/zinc/88/27/68/401882768.db2.gz	PCKJOUAPFROSKB-SNVBAGLBSA-N	0	0	307.302	2.461	10	5		DEBERN
Cc1ccc([C@@H](C)OC(=O)[C@@H](C)n2cncn2)cc1[N+](=O)[O-]	ZINC000084809134	401910348	/nfs/dbraw/zinc/91/03/48/401910348.db2.gz	NDOKNTCGKCZEMU-GHMZBOCLSA-N	0	0	304.306	2.360	10	5		DEBERN
O=C1NCC[C@H]1SCc1coc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000089605638	401953988	/nfs/dbraw/zinc/95/39/88/401953988.db2.gz	OHNRJHSPFONBPV-GFCCVEGCSA-N	0	0	319.342	2.372	10	5		DEBERN
CCOC(=O)CC[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000089689989	401957506	/nfs/dbraw/zinc/95/75/06/401957506.db2.gz	FBXUURVXUCCPIC-JTQLQIEISA-N	0	0	309.322	2.448	10	5		DEBERN
O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CCC[C@H](C(F)(F)F)C1	ZINC000044696662	401947434	/nfs/dbraw/zinc/94/74/34/401947434.db2.gz	RYEIBTRMNDWYOI-DTWKUNHWSA-N	0	0	320.271	2.029	10	5		DEBERN
CC1(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)COC1	ZINC000121398705	402033492	/nfs/dbraw/zinc/03/34/92/402033492.db2.gz	MVDRAAAKOHSDNE-UHFFFAOYSA-N	0	0	319.361	2.305	10	5		DEBERN
CC(C)(C)OC(=O)c1ccc(Cn2ncc([N+](=O)[O-])c2N)cc1	ZINC000151742005	402054096	/nfs/dbraw/zinc/05/40/96/402054096.db2.gz	XTVGOTMUWCMILH-UHFFFAOYSA-N	0	0	318.333	2.377	10	5		DEBERN
Cc1sc(C(=O)NCCn2cnnc2C(C)C)cc1[N+](=O)[O-]	ZINC000152174760	402080183	/nfs/dbraw/zinc/08/01/83/402080183.db2.gz	HNIHOMWFMCNVCJ-UHFFFAOYSA-N	0	0	323.378	2.110	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2nccnc2c1	ZINC000055443198	402082582	/nfs/dbraw/zinc/08/25/82/402082582.db2.gz	RKPVFPTTXXWXMD-UHFFFAOYSA-N	0	0	309.285	2.494	10	5		DEBERN
COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCCC[C@H]1CO	ZINC000122742851	402092504	/nfs/dbraw/zinc/09/25/04/402092504.db2.gz	SDUPBUDJQUUCSR-CMPLNLGQSA-N	0	0	323.349	2.276	10	5		DEBERN
Cc1cc(C(=O)Nc2cnn(-c3ncccn3)c2)cc([N+](=O)[O-])c1	ZINC000151905486	402064698	/nfs/dbraw/zinc/06/46/98/402064698.db2.gz	MRHIXMOSEUETHJ-UHFFFAOYSA-N	0	0	324.300	2.131	10	5		DEBERN
CCCC(=O)N[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1	ZINC000101563572	402148672	/nfs/dbraw/zinc/14/86/72/402148672.db2.gz	ZNIAKVLZYJCKKI-AWEZNQCLSA-N	0	0	305.378	2.476	10	5		DEBERN
CN(CC(C)(C)C)c1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1	ZINC000124495369	402182406	/nfs/dbraw/zinc/18/24/06/402182406.db2.gz	HGOBUXMCWQZIRM-UHFFFAOYSA-N	0	0	300.380	2.481	10	5		DEBERN
Cc1nn(C)cc1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000068153303	402185713	/nfs/dbraw/zinc/18/57/13/402185713.db2.gz	JXVSSZDZXMDVQZ-JTQLQIEISA-N	0	0	302.334	2.436	10	5		DEBERN
Cc1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)n(C)n1	ZINC000103375119	402185772	/nfs/dbraw/zinc/18/57/72/402185772.db2.gz	SRXLXTWPDXDHQQ-JTQLQIEISA-N	0	0	300.318	2.228	10	5		DEBERN
CCN(c1cccnc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000103495121	402191209	/nfs/dbraw/zinc/19/12/09/402191209.db2.gz	JPOZTFWUAYADJY-UHFFFAOYSA-N	0	0	313.360	2.267	10	5		DEBERN
O=[N+]([O-])c1cc(Cl)cnc1NCC1(O)CCSCC1	ZINC000153808394	402172060	/nfs/dbraw/zinc/17/20/60/402172060.db2.gz	PRKLKECYUPMQND-UHFFFAOYSA-N	0	0	303.771	2.313	10	5		DEBERN
CC(=O)N[C@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1	ZINC000153836303	402173604	/nfs/dbraw/zinc/17/36/04/402173604.db2.gz	XPXNLUSZSBIASA-SZTZYQKNSA-N	0	0	303.362	2.209	10	5		DEBERN
C[C@@H](Nc1ncc(Br)cc1[N+](=O)[O-])[C@H](C)CO	ZINC000125654703	402243627	/nfs/dbraw/zinc/24/36/27/402243627.db2.gz	PWXRVAKIBYTPGU-RNFRBKRXSA-N	0	0	304.144	2.181	10	5		DEBERN
COc1ccccc1[C@H](O)CNc1ncc([N+](=O)[O-])cc1C	ZINC000108349518	402251595	/nfs/dbraw/zinc/25/15/95/402251595.db2.gz	MTRWCLKCHHBKEA-CYBMUJFWSA-N	0	0	303.318	2.452	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(C2CC2)CC1	ZINC000070197540	402258805	/nfs/dbraw/zinc/25/88/05/402258805.db2.gz	FMLPVSFKWWDDQH-UHFFFAOYSA-N	0	0	309.753	2.168	10	5		DEBERN
O=C(NCCCc1cccc(F)c1)c1cc([N+](=O)[O-])c[nH]c1=O	ZINC000109700511	402274629	/nfs/dbraw/zinc/27/46/29/402274629.db2.gz	GBNRDMVBWNTIFM-UHFFFAOYSA-N	0	0	319.292	2.197	10	5		DEBERN
O=[N+]([O-])c1ccn(CCN2CCc3[nH]c4ccccc4c3C2)n1	ZINC000176231375	402292967	/nfs/dbraw/zinc/29/29/67/402292967.db2.gz	QSFKXYXIMVHPAM-UHFFFAOYSA-N	0	0	311.345	2.331	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1(C)CCC1	ZINC000176352955	402301948	/nfs/dbraw/zinc/30/19/48/402301948.db2.gz	XCYJWGYAFLVAOG-UHFFFAOYSA-N	0	0	305.334	2.148	10	5		DEBERN
COCC1=CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1	ZINC000185405995	402350480	/nfs/dbraw/zinc/35/04/80/402350480.db2.gz	BNEROLCVFIFYHV-UHFFFAOYSA-N	0	0	315.329	2.495	10	5		DEBERN
CSCCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000185813694	402379283	/nfs/dbraw/zinc/37/92/83/402379283.db2.gz	RCVZKADPXRRHNP-UHFFFAOYSA-N	0	0	304.393	2.016	10	5		DEBERN
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC)CC(F)F	ZINC000186442782	402431262	/nfs/dbraw/zinc/43/12/62/402431262.db2.gz	AWHFUUSUAWCAIW-UHFFFAOYSA-N	0	0	322.333	2.433	10	5		DEBERN
CC[C@@H](NC(=O)Cc1cnn(C)c1)c1cccc([N+](=O)[O-])c1	ZINC000177804492	402438123	/nfs/dbraw/zinc/43/81/23/402438123.db2.gz	VMPXNLFWBXKQPN-CQSZACIVSA-N	0	0	302.334	2.138	10	5		DEBERN
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)C[C@H]1CCCO1	ZINC000245382203	402453263	/nfs/dbraw/zinc/45/32/63/402453263.db2.gz	HTAHHYOSBVCMPG-BXUZGUMPSA-N	0	0	307.350	2.033	10	5		DEBERN
C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)C[C@@H]1CCCO1	ZINC000170688204	402514546	/nfs/dbraw/zinc/51/45/46/402514546.db2.gz	HTAHHYOSBVCMPG-FZMZJTMJSA-N	0	0	307.350	2.033	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(N[C@H](C)C(=O)NCc2ccco2)n1	ZINC000178198443	402470186	/nfs/dbraw/zinc/47/01/86/402470186.db2.gz	WJGSUEXQZMYTGW-SNVBAGLBSA-N	0	0	304.306	2.008	10	5		DEBERN
Cc1cnc(CCN(C)c2ccc(C(N)=O)cc2[N+](=O)[O-])s1	ZINC000166057811	402481229	/nfs/dbraw/zinc/48/12/29/402481229.db2.gz	MGCQJEVNSIOVDH-UHFFFAOYSA-N	0	0	320.374	2.138	10	5		DEBERN
O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(CO)c(F)c1	ZINC000178308893	402483461	/nfs/dbraw/zinc/48/34/61/402483461.db2.gz	QGDFZQKIPCFENB-UHFFFAOYSA-N	0	0	318.304	2.085	10	5		DEBERN
O=C(N[C@@H]1Cc2ccccc2[C@@H]1O)c1ccc([N+](=O)[O-])cc1F	ZINC000178313728	402484104	/nfs/dbraw/zinc/48/41/04/402484104.db2.gz	WVBHEXDTNFNUFQ-CABCVRRESA-N	0	0	316.288	2.122	10	5		DEBERN
O=C(c1csc([N+](=O)[O-])c1)N1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000178336442	402486258	/nfs/dbraw/zinc/48/62/58/402486258.db2.gz	BQUXYYHRUBDCJJ-BXUZGUMPSA-N	0	0	310.375	2.424	10	5		DEBERN
Cc1ccc(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)cc1[N+](=O)[O-]	ZINC000178362515	402490156	/nfs/dbraw/zinc/49/01/56/402490156.db2.gz	LHLKJAUSCZNPBI-ZBFHGGJFSA-N	0	0	312.325	2.291	10	5		DEBERN
CO[C@H]1C[C@@H](c2nc(C)no2)N(c2ccc([N+](=O)[O-])cc2)C1	ZINC000190084683	402574437	/nfs/dbraw/zinc/57/44/37/402574437.db2.gz	PQXUGJLOQZCTCH-STQMWFEESA-N	0	0	304.306	2.253	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C)[C@@H]1CO	ZINC000189443896	402537644	/nfs/dbraw/zinc/53/76/44/402537644.db2.gz	YJIKODSCXWKUBZ-XNBKRRRXSA-N	0	0	304.346	2.227	10	5		DEBERN
O=[N+]([O-])c1cnc(N2CC[C@H](CNc3ccccn3)C2)s1	ZINC000190323362	402592431	/nfs/dbraw/zinc/59/24/31/402592431.db2.gz	SPDDHJNWSYZMGV-SNVBAGLBSA-N	0	0	305.363	2.385	10	5		DEBERN
Cc1cnc(COC(=O)[C@H]2CCCO[C@@H]2C)c(C)c1[N+](=O)[O-]	ZINC000192302646	402721715	/nfs/dbraw/zinc/72/17/15/402721715.db2.gz	RBLDWHITJWGLDH-NEPJUHHUSA-N	0	0	308.334	2.465	10	5		DEBERN
O=C(c1c(Cl)cccc1[N+](=O)[O-])N1C[C@@H]2CC[C@H](O)[C@H]2C1	ZINC000252854256	402661346	/nfs/dbraw/zinc/66/13/46/402661346.db2.gz	GYZKDDJHSJXWJF-AUTRQRHGSA-N	0	0	310.737	2.091	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@H](SC)C2)n1	ZINC000191621045	402682447	/nfs/dbraw/zinc/68/24/47/402682447.db2.gz	JENVESBHJOFAQM-UWVGGRQHSA-N	0	0	312.395	2.215	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1c1nncn1C	ZINC000183382245	402761954	/nfs/dbraw/zinc/76/19/54/402761954.db2.gz	CWNUTXIXJWRTEU-AWEZNQCLSA-N	0	0	301.350	2.369	10	5		DEBERN
Cc1sc(C(=O)N2CCOc3ccncc32)cc1[N+](=O)[O-]	ZINC000174916541	402762723	/nfs/dbraw/zinc/76/27/23/402762723.db2.gz	LCIQMZYRENUIQU-UHFFFAOYSA-N	0	0	305.315	2.399	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1noc(C)n1	ZINC000184053257	402814695	/nfs/dbraw/zinc/81/46/95/402814695.db2.gz	MFNMXMFMFBNHMD-CSKARUKUSA-N	0	0	316.317	2.348	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])cc1F)N1CCN2CCCC[C@H]2C1	ZINC000195050196	402829216	/nfs/dbraw/zinc/82/92/16/402829216.db2.gz	JWKDUINKRUPQHB-LBPRGKRZSA-N	0	0	307.325	2.044	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(CCO)C1CCC1	ZINC000275924733	403133038	/nfs/dbraw/zinc/13/30/38/403133038.db2.gz	GVNBUSYMABPYFF-QXMHVHEDSA-N	0	0	304.346	2.372	10	5		DEBERN
COC(=O)c1cc(N(C)Cc2nccn2C)cc(C)c1[N+](=O)[O-]	ZINC000270910314	403238933	/nfs/dbraw/zinc/23/89/33/403238933.db2.gz	HBHZXPCRYMIICP-UHFFFAOYSA-N	0	0	318.333	2.060	10	5		DEBERN
CCc1ccc(CCNc2ncc([N+](=O)[O-])cc2C(N)=O)cc1	ZINC000301263305	403608379	/nfs/dbraw/zinc/60/83/79/403608379.db2.gz	GXDMWXUJAZKGGT-UHFFFAOYSA-N	0	0	314.345	2.306	10	5		DEBERN
CC(=O)c1ccc(N[C@H]2CCC[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1	ZINC000301350409	403618489	/nfs/dbraw/zinc/61/84/89/403618489.db2.gz	IRPQMBHVJFGFOC-NEPJUHHUSA-N	0	0	305.334	2.253	10	5		DEBERN
Cc1sc(C(=O)N2CC[C@@H](O)C23CCCC3)cc1[N+](=O)[O-]	ZINC000294074131	403640850	/nfs/dbraw/zinc/64/08/50/403640850.db2.gz	HTBIJUDSTJGZTC-GFCCVEGCSA-N	0	0	310.375	2.484	10	5		DEBERN
Cc1nc(N2CCC[C@@H](NC(=O)C(C)C)C2)ccc1[N+](=O)[O-]	ZINC000301649381	403658149	/nfs/dbraw/zinc/65/81/49/403658149.db2.gz	PGPNKMVBEKTCJF-GFCCVEGCSA-N	0	0	306.366	2.039	10	5		DEBERN
Cc1nc(N2CCC[C@H](NC(=O)C(C)C)C2)ccc1[N+](=O)[O-]	ZINC000301649382	403658156	/nfs/dbraw/zinc/65/81/56/403658156.db2.gz	PGPNKMVBEKTCJF-LBPRGKRZSA-N	0	0	306.366	2.039	10	5		DEBERN
COc1ccc([N+](=O)[O-])c(N2CCC[C@@H](n3cncn3)C2)c1	ZINC000266084780	286382274	/nfs/dbraw/zinc/38/22/74/286382274.db2.gz	GUMCPAMPOONMSU-LLVKDONJSA-N	0	0	303.322	2.036	10	5		DEBERN
Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@]2(CCCOC2)C1	ZINC000408149483	405125732	/nfs/dbraw/zinc/12/57/32/405125732.db2.gz	IPAZBPHVLVDJET-MRXNPFEDSA-N	0	0	319.361	2.210	10	5		DEBERN
CC(=O)CCC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000571679004	406551569	/nfs/dbraw/zinc/55/15/69/406551569.db2.gz	FPTYLABNGJWEIL-UHFFFAOYSA-N	0	0	303.318	2.104	10	5		DEBERN
O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NCCCC1CC1	ZINC000525801274	406504299	/nfs/dbraw/zinc/50/42/99/406504299.db2.gz	WTRKUHMWXFFMGR-UHFFFAOYSA-N	0	0	320.345	2.215	10	5		DEBERN
NC(=O)c1c(OC(F)F)cc(Br)cc1[N+](=O)[O-]	ZINC000575683384	406818091	/nfs/dbraw/zinc/81/80/91/406818091.db2.gz	PGWFPPFSYAJCLU-UHFFFAOYSA-N	0	0	311.038	2.058	10	5		DEBERN
COc1cc(C=O)cc(I)c1[N+](=O)[O-]	ZINC000575727732	406825451	/nfs/dbraw/zinc/82/54/51/406825451.db2.gz	JYRVHOGRFNIDSG-UHFFFAOYSA-N	0	0	307.043	2.021	10	5		DEBERN
C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131221278	196151307	/nfs/dbraw/zinc/15/13/07/196151307.db2.gz	LDACBLWCMWKRQI-KCJUWKMLSA-N	0	0	302.327	2.201	10	5		DEBERN
CC(C)Cn1ccnc1CNC(=O)c1ccccc1[N+](=O)[O-]	ZINC000131425730	196168190	/nfs/dbraw/zinc/16/81/90/196168190.db2.gz	GZKDAEVTRWCKEL-UHFFFAOYSA-N	0	0	302.334	2.377	10	5		DEBERN
CCNc1cc(S(=O)(=O)N(CC)CC)ccc1[N+](=O)[O-]	ZINC000131703637	196191942	/nfs/dbraw/zinc/19/19/42/196191942.db2.gz	DPSYONBCADSXRQ-UHFFFAOYSA-N	0	0	301.368	2.057	10	5		DEBERN
CC[C@@](C)(CCO)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2	ZINC000131827674	196202762	/nfs/dbraw/zinc/20/27/62/196202762.db2.gz	BGERDCMKJYZOLF-HNNXBMFYSA-N	0	0	307.350	2.443	10	5		DEBERN
CNc1cc(S(=O)(=O)N(C)C2CCCC2)ccc1[N+](=O)[O-]	ZINC000131890284	196208046	/nfs/dbraw/zinc/20/80/46/196208046.db2.gz	JHRGMQLXHTYSIG-UHFFFAOYSA-N	0	0	313.379	2.200	10	5		DEBERN
CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])c(N)c2)CCCCC1	ZINC000132207895	196235557	/nfs/dbraw/zinc/23/55/57/196235557.db2.gz	WLKZGPASOLQRSM-UHFFFAOYSA-N	0	0	313.379	2.178	10	5		DEBERN
CCS(=O)(=O)C[C@@H](C)Nc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000132200444	196235173	/nfs/dbraw/zinc/23/51/73/196235173.db2.gz	ULNRNDNVCKUHKM-MRVPVSSYSA-N	0	0	306.771	2.483	10	5		DEBERN
CCS(=O)(=O)C[C@@H](C)Nc1cc([N+](=O)[O-])c(C)cc1C	ZINC000132312430	196244039	/nfs/dbraw/zinc/24/40/39/196244039.db2.gz	BGFAZGJLFGPYJD-LLVKDONJSA-N	0	0	300.380	2.447	10	5		DEBERN
C[C@@](N)(C(=O)Nc1c(F)cc(F)cc1[N+](=O)[O-])C(F)(F)F	ZINC000132538062	196263005	/nfs/dbraw/zinc/26/30/05/196263005.db2.gz	WNKYSUOVAURSLL-SECBINFHSA-N	0	0	313.182	2.091	10	5		DEBERN
CC[C@H](C)C(=O)Cn1cc(Br)cc([N+](=O)[O-])c1=O	ZINC000133056984	196308469	/nfs/dbraw/zinc/30/84/69/196308469.db2.gz	YTYOKUSDVLEQMF-ZETCQYMHSA-N	0	0	317.139	2.134	10	5		DEBERN
CCCC(C)(C)NS(=O)(=O)c1ccc(N)cc1[N+](=O)[O-]	ZINC000133733677	196332988	/nfs/dbraw/zinc/33/29/88/196332988.db2.gz	QNCKUYRXCLWDMO-UHFFFAOYSA-N	0	0	301.368	2.034	10	5		DEBERN
COC(=O)[C@H]1CCCN(c2cc(F)cc(F)c2[N+](=O)[O-])C1	ZINC000133945615	196347772	/nfs/dbraw/zinc/34/77/72/196347772.db2.gz	UAKIIUQUWXBJOI-QMMMGPOBSA-N	0	0	300.261	2.262	10	5		DEBERN
O=c1[nH]cnc2cc(NC3CCSCC3)c([N+](=O)[O-])cc21	ZINC000133973008	196350300	/nfs/dbraw/zinc/35/03/00/196350300.db2.gz	QLLSBNBATGJILE-UHFFFAOYSA-N	0	0	306.347	2.139	10	5		DEBERN
CC[C@@H](O)CCNc1cc(C(=O)OC)c(F)cc1[N+](=O)[O-]	ZINC000135067543	196442532	/nfs/dbraw/zinc/44/25/32/196442532.db2.gz	UBDRRYXZQBZMGP-MRVPVSSYSA-N	0	0	300.286	2.093	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCc2cccc(Cl)c2)n1	ZINC000191452340	225110153	/nfs/dbraw/zinc/11/01/53/225110153.db2.gz	QVXONCFYKRZPNE-UHFFFAOYSA-N	0	0	308.725	2.395	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N(C)c2ccccc2N(C)C)n1	ZINC000191680360	225115561	/nfs/dbraw/zinc/11/55/61/225115561.db2.gz	JONSOWRYFSXFPC-UHFFFAOYSA-N	0	0	317.349	2.154	10	5		DEBERN
O=[N+]([O-])c1cnc2ccc(NCCC[C@H]3CCCC[C@H]3O)nn21	ZINC000301953638	230001052	/nfs/dbraw/zinc/00/10/52/230001052.db2.gz	JYUKQISOVFOCKL-VXGBXAGGSA-N	0	0	319.365	2.381	10	5		DEBERN
COC1(CNc2ccc3ncc([N+](=O)[O-])n3n2)CCC(C)CC1	ZINC000359938037	424835083	/nfs/dbraw/zinc/83/50/83/424835083.db2.gz	XPYUDDBOPIOJKK-UHFFFAOYSA-N	0	0	319.365	2.645	10	5		DEBERN
Cc1c(NC(=O)c2ccnc(N)c2[N+](=O)[O-])cccc1N(C)C	ZINC000548089347	424869768	/nfs/dbraw/zinc/86/97/68/424869768.db2.gz	ZTCSBIPRNKEWMR-UHFFFAOYSA-N	0	0	315.333	2.199	10	5		DEBERN
Cc1cc(N2CCN(Cc3cc(F)ccc3[N+](=O)[O-])CC2)n[nH]1	ZINC000187269766	274707281	/nfs/dbraw/zinc/70/72/81/274707281.db2.gz	NURKHHOATBZKOP-UHFFFAOYSA-N	0	0	319.340	2.088	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCCN(c3cnn(C)c3)C2)n1	ZINC000178237588	281014721	/nfs/dbraw/zinc/01/47/21/281014721.db2.gz	LHGRSIBWVRHOLU-GFCCVEGCSA-N	0	0	316.365	2.113	10	5		DEBERN
O=C(NCC1CC1)[C@@H]1CCCN(c2cc(F)ccc2[N+](=O)[O-])C1	ZINC000302787668	295636434	/nfs/dbraw/zinc/63/64/34/295636434.db2.gz	BIYKRKIACSDORK-GFCCVEGCSA-N	0	0	321.352	2.477	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1c1nncn1C	ZINC000120431318	301430453	/nfs/dbraw/zinc/43/04/53/301430453.db2.gz	JUBRIXGKBSSQBD-ZDUSSCGKSA-N	0	0	315.333	2.009	10	5		DEBERN
Cc1nc([C@H]2CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])cs1	ZINC000190021646	302643004	/nfs/dbraw/zinc/64/30/04/302643004.db2.gz	UYAGBGOXBRAYGP-SECBINFHSA-N	0	0	307.335	2.060	10	5		DEBERN
CC1(C)CC[C@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)O1	ZINC000186468183	332929969	/nfs/dbraw/zinc/92/99/69/332929969.db2.gz	DRBSJFDTAJJVAL-CYBMUJFWSA-N	0	0	307.350	2.352	10	5		DEBERN
CC(C)C[C@@H](CO)N(C)C(=O)NCc1cccc([N+](=O)[O-])c1	ZINC000188537442	333047948	/nfs/dbraw/zinc/04/79/48/333047948.db2.gz	ULZZEOATFADJAS-AWEZNQCLSA-N	0	0	309.366	2.143	10	5		DEBERN
CC(C)(C)OC(=O)N(c1ccc([N+](=O)[O-])c([O-])c1)[C@@H]1CC[NH2+]C1	ZINC000584654158	337377720	/nfs/dbraw/zinc/37/77/20/337377720.db2.gz	QNMJEBJRDQCMNB-LLVKDONJSA-N	0	0	323.349	2.404	10	5		DEBERN
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[C@H]1C	ZINC000297092105	533818694	/nfs/dbraw/zinc/81/86/94/533818694.db2.gz	NYDLSXNOSAZBAM-RKDXNWHRSA-N	0	0	302.327	2.071	10	5		DEBERN
COc1ccc(O)cc1C(=O)NCCc1ccc([N+](=O)[O-])cc1	ZINC000188722559	534210856	/nfs/dbraw/zinc/21/08/56/534210856.db2.gz	HOIYSKIPWADJBB-UHFFFAOYSA-N	0	0	316.313	2.282	10	5		DEBERN
CCOCCO[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)C1	ZINC000152987516	520031239	/nfs/dbraw/zinc/03/12/39/520031239.db2.gz	AYTHRJDIZFRMJQ-AWEZNQCLSA-N	0	0	322.361	2.171	10	5		DEBERN
NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1C[C@H]1c1cccc(F)c1	ZINC000302864201	534474311	/nfs/dbraw/zinc/47/43/11/534474311.db2.gz	SRWKFTRPUMSTIC-WCQYABFASA-N	0	0	316.292	2.196	10	5		DEBERN
O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCCO1	ZINC000155816437	526900144	/nfs/dbraw/zinc/90/01/44/526900144.db2.gz	HHRQGLOYXYJULU-UHFFFAOYSA-N	0	0	305.315	2.496	10	5		DEBERN
CCOC(=O)[C@@H]1CC[C@@H](Nc2cc(CO)ccc2[N+](=O)[O-])C1	ZINC000302053462	527859529	/nfs/dbraw/zinc/85/95/29/527859529.db2.gz	PTCBRQVOQFLKAM-VXGBXAGGSA-N	0	0	308.334	2.231	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(F)c(OC)c2)n1	ZINC000191719202	529154529	/nfs/dbraw/zinc/15/45/29/529154529.db2.gz	FFWYDXXHFWOSJI-UHFFFAOYSA-N	0	0	308.269	2.211	10	5		DEBERN
CCSCC[C@@H](C)NC(=O)c1nn(CC)cc1[N+](=O)[O-]	ZINC000191646634	529188680	/nfs/dbraw/zinc/18/86/80/529188680.db2.gz	MKVLCLRXYIAYIN-SECBINFHSA-N	0	0	300.384	2.073	10	5		DEBERN
CC(C)c1nnc2n1CCN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H]2C	ZINC000364753603	535017666	/nfs/dbraw/zinc/01/76/66/535017666.db2.gz	GICIAPQBCBCSGJ-VIFPVBQESA-N	0	0	319.321	2.120	10	5		DEBERN
CCOC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000184395710	535533286	/nfs/dbraw/zinc/53/32/86/535533286.db2.gz	HAAJZPFLXRXJGF-ZDUSSCGKSA-N	0	0	306.318	2.071	10	5		DEBERN
CC[C@@H]1C[C@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CCO1	ZINC000408163884	535881559	/nfs/dbraw/zinc/88/15/59/535881559.db2.gz	FHFJRRKDUWVCKT-BXUZGUMPSA-N	0	0	319.361	2.080	10	5		DEBERN
COc1cc(C(=O)N[C@@H]2COc3ccccc32)ccc1[N+](=O)[O-]	ZINC000195338231	536509873	/nfs/dbraw/zinc/50/98/73/536509873.db2.gz	SDQSEKUNESZNRL-GFCCVEGCSA-N	0	0	314.297	2.467	10	5		DEBERN
C/C(=C\c1ccc(F)cc1)C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000255324629	624164796	/nfs/dbraw/zinc/16/47/96/624164796.db2.gz	RKZZMAOUILUTBI-DHZHZOJOSA-N	0	0	318.308	2.150	10	5		DEBERN
CN(C[C@@H]1CCCO1)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1	ZINC000050708276	625098989	/nfs/dbraw/zinc/09/89/89/625098989.db2.gz	KOPQUDYFBBCTMW-VIFPVBQESA-N	0	0	313.741	2.081	10	5		DEBERN
COc1cc(OC)cc([C@H](O)CNc2ccc([N+](=O)[O-])nc2)c1	ZINC000735669049	633527646	/nfs/dbraw/zinc/52/76/46/633527646.db2.gz	SZHKPYPIBZFFJE-CQSZACIVSA-N	0	0	319.317	2.153	10	5		DEBERN
Cc1noc(C)c1S(=O)(=O)Oc1ccc(F)cc1[N+](=O)[O-]	ZINC000102661565	650149888	/nfs/dbraw/zinc/14/98/88/650149888.db2.gz	QPMYIJCEZFAWLK-UHFFFAOYSA-N	0	0	316.266	2.106	10	5		DEBERN
CC[S@@](=O)CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1	ZINC000742406794	638069686	/nfs/dbraw/zinc/06/96/86/638069686.db2.gz	QMSTXSVHTBGTKE-HXUWFJFHSA-N	0	0	308.306	2.377	10	5		DEBERN
CN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)C1CCOCC1	ZINC000228624200	638100995	/nfs/dbraw/zinc/10/09/95/638100995.db2.gz	ZPZRPHNSOAUZOW-UHFFFAOYSA-N	0	0	300.261	2.124	10	5		DEBERN
C/C(=C/C(=O)OCCn1ccnc1)c1ccc([N+](=O)[O-])cc1	ZINC000752342611	639173786	/nfs/dbraw/zinc/17/37/86/639173786.db2.gz	FKKNGWLGESPMSX-BENRWUELSA-N	0	0	301.302	2.438	10	5		DEBERN
C/C(=C\C(=O)OCC[C@H]1CCOC1=O)c1ccc([N+](=O)[O-])cc1	ZINC000752356681	639174688	/nfs/dbraw/zinc/17/46/88/639174688.db2.gz	VZYUPGMNKPLFQN-NHAQELONSA-N	0	0	319.313	2.495	10	5		DEBERN
C/C(=C\C(=O)O[C@@H](C)C(=O)N(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000752352026	639174710	/nfs/dbraw/zinc/17/47/10/639174710.db2.gz	SYQPBEZSEJVYBX-USKTWTLRSA-N	0	0	306.318	2.018	10	5		DEBERN
CCOC(=O)[C@H](CC1CC1)NC(=O)c1cc(F)ccc1[N+](=O)[O-]	ZINC000752382914	639177433	/nfs/dbraw/zinc/17/74/33/639177433.db2.gz	KIUDJHGSRKQHKA-LBPRGKRZSA-N	0	0	324.308	2.196	10	5		DEBERN
CC(=CC(=O)NCc1[nH]cnc1C)c1ccc([N+](=O)[O-])cc1	ZINC000752500876	639190596	/nfs/dbraw/zinc/19/05/96/639190596.db2.gz	LIHWUUPQBCUSEN-JXMROGBWSA-N	0	0	300.318	2.346	10	5		DEBERN
C/C(=C\C(=O)N[C@@H]1C=C[C@H](CO)C1)c1ccc([N+](=O)[O-])cc1	ZINC000752578606	639199419	/nfs/dbraw/zinc/19/94/19/639199419.db2.gz	CQBJLOJAUVIOED-RBDCFEFUSA-N	0	0	302.330	2.051	10	5		DEBERN
C/C(=C\C(=O)N1CC[C@H]([C@@H](C)O)C1)c1ccc([N+](=O)[O-])cc1	ZINC000752771891	639218272	/nfs/dbraw/zinc/21/82/72/639218272.db2.gz	MOJHFRCBDCJFOL-QRUMOCGTSA-N	0	0	304.346	2.227	10	5		DEBERN
C[C@@H]1CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ncc1Br	ZINC000310936597	640423866	/nfs/dbraw/zinc/42/38/66/640423866.db2.gz	MWCWXYFAGDITEL-MUWHJKNJSA-N	0	0	314.139	2.281	10	5		DEBERN
C/C(=C/C(=O)NC[C@@H](CO)C(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000805320281	640849028	/nfs/dbraw/zinc/84/90/28/640849028.db2.gz	JHTNSHGMNPEEAW-UNJUUPHPSA-N	0	0	306.362	2.379	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)c1ccc(Cl)nn1	ZINC000155409060	644790598	/nfs/dbraw/zinc/79/05/98/644790598.db2.gz	PZVMRJCRAMGFOM-UHFFFAOYSA-N	0	0	307.697	2.018	10	5		DEBERN
CC(=O)CCC(=O)O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1	ZINC000800398091	645266718	/nfs/dbraw/zinc/26/67/18/645266718.db2.gz	COJAGKHMJDQNAK-RYUDHWBXSA-N	0	0	309.322	2.187	10	5		DEBERN
Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C(F)(F)F	ZINC000913020911	646247227	/nfs/dbraw/zinc/24/72/27/646247227.db2.gz	ZMGZAIKTXJLDMN-SNVBAGLBSA-N	0	0	321.230	2.483	10	5		DEBERN
C[C@@H](OC(=O)C1=COCCC1)C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000730851098	647420005	/nfs/dbraw/zinc/42/00/05/647420005.db2.gz	QVWBCDLFIQPHQI-SNVBAGLBSA-N	0	0	320.301	2.159	10	5		DEBERN
CC(C)[C@@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(=O)N(C)C	ZINC000731529610	647490179	/nfs/dbraw/zinc/49/01/79/647490179.db2.gz	ZRQZZUYHSSVRSZ-GFCCVEGCSA-N	0	0	312.297	2.004	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)Oc1cccc(C(N)=O)c1	ZINC000154077648	647882222	/nfs/dbraw/zinc/88/22/22/647882222.db2.gz	AZTVSOKMWGQVLI-UHFFFAOYSA-N	0	0	300.270	2.221	10	5		DEBERN
Cn1nccc1CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000043331122	683900409	/nfs/dbraw/zinc/90/04/09/683900409.db2.gz	RWCLTNIHJCULNH-UHFFFAOYSA-N	0	0	309.713	2.303	10	5		DEBERN
CCC(=O)N1CC[C@@H](C(=O)O[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1	ZINC000123181781	684122801	/nfs/dbraw/zinc/12/28/01/684122801.db2.gz	CLPRKGJGGTYKBE-WCQYABFASA-N	0	0	320.345	2.458	10	5		DEBERN
O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)OC[C@@H]1CC=CCC1	ZINC000192648126	684454213	/nfs/dbraw/zinc/45/42/13/684454213.db2.gz	MAKUBWJPCXNZEF-GFCCVEGCSA-N	0	0	318.329	2.224	10	5		DEBERN
CCOC(=O)C[C@H](C)NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1	ZINC000588446574	777202681	/nfs/dbraw/zinc/20/26/81/777202681.db2.gz	AIFCNFXOEYRNAR-MMRAYRKESA-N	0	0	320.345	2.456	10	5		DEBERN
CO[C@@]1(CO)CCCN(c2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000401906008	801857866	/nfs/dbraw/zinc/85/78/66/801857866.db2.gz	HPDYMTQNVFHGMP-ZDUSSCGKSA-N	0	0	300.742	2.226	10	5		DEBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@H](C)Cc1ccsc1	ZINC000081399335	1081095120	/nfs/dbraw/zinc/09/51/20/1081095120.db2.gz	ANSOMUIGELPOSI-SNVBAGLBSA-N	0	0	322.390	2.251	10	5		DEBERN
C[C@](O)(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccco1	ZINC000585206842	1144372543	/nfs/dbraw/zinc/37/25/43/1144372543.db2.gz	QQYNAFAKOXNBQH-AWEZNQCLSA-N	0	0	324.720	2.479	10	5		DEBERN
Cc1cc(S(=O)(=O)N[C@@H]2CC2(C)C)cc([N+](=O)[O-])c1F	ZINC000164566057	197656798	/nfs/dbraw/zinc/65/67/98/197656798.db2.gz	ONVVSZWDPVPQIZ-SNVBAGLBSA-N	0	0	302.327	2.119	10	5		DEBERN
COC(=O)C[C@@H](C)Sc1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000078836831	185118428	/nfs/dbraw/zinc/11/84/28/185118428.db2.gz	PWBSPWDALNOMDW-MRVPVSSYSA-N	0	0	313.331	2.410	10	5		DEBERN
O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCOCC2(CC2)C1	ZINC000612616700	361875604	/nfs/dbraw/zinc/87/56/04/361875604.db2.gz	UBIVCRQSRZCPBI-UHFFFAOYSA-N	0	0	309.297	2.378	10	5		DEBERN
CC[C@H](C)C[C@H](C)NS(=O)(=O)c1cc(N)ccc1[N+](=O)[O-]	ZINC000088311767	185245279	/nfs/dbraw/zinc/24/52/79/185245279.db2.gz	SJZKBDKFHGNRJH-UWVGGRQHSA-N	0	0	315.395	2.280	10	5		DEBERN
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCCC2CC2)c1	ZINC000088456218	185251778	/nfs/dbraw/zinc/25/17/78/185251778.db2.gz	VMLJOOKMSVPILA-UHFFFAOYSA-N	0	0	304.755	2.327	10	5		DEBERN
Cc1ccc(N)c(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1	ZINC000165846243	197682544	/nfs/dbraw/zinc/68/25/44/197682544.db2.gz	LXDGPXHONQQXQJ-UHFFFAOYSA-N	0	0	306.343	2.459	10	5		DEBERN
O=[N+]([O-])c1ccc(N[C@H]2C=CS(=O)(=O)C2)c(C(F)F)c1	ZINC000088859334	185267426	/nfs/dbraw/zinc/26/74/26/185267426.db2.gz	NCDJYFWUYGVCDN-ZETCQYMHSA-N	0	0	304.274	2.255	10	5		DEBERN
COC(=O)C[C@@H](C)[S@](=O)Cc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000090101515	185281941	/nfs/dbraw/zinc/28/19/41/185281941.db2.gz	ZKGMYVZVZZZQSE-SQFXPLBJSA-N	0	0	319.766	2.449	10	5		DEBERN
COC(=O)[C@@H](C)CSCc1nc2ccccn2c1[N+](=O)[O-]	ZINC000090103251	185282202	/nfs/dbraw/zinc/28/22/02/185282202.db2.gz	BFKPCERQDALEGL-VIFPVBQESA-N	0	0	309.347	2.285	10	5		DEBERN
Cc1noc([C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])n1	ZINC000090679389	185309053	/nfs/dbraw/zinc/30/90/53/185309053.db2.gz	XJWGQZBLPKCQON-GFCCVEGCSA-N	0	0	302.290	2.264	10	5		DEBERN
CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CC1CC1	ZINC000070108991	190858395	/nfs/dbraw/zinc/85/83/95/190858395.db2.gz	XDSUBQQSTIYGQT-SECBINFHSA-N	0	0	313.379	2.103	10	5		DEBERN
Cc1ccc2c(c1)[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@H](C)C2	ZINC000181105035	539649357	/nfs/dbraw/zinc/64/93/57/539649357.db2.gz	SDTOTLIMCKLFKV-NOZJJQNGSA-N	0	0	300.318	2.290	10	5		DEBERN
O=C(N[C@H]1CCc2cc(Cl)ccc21)c1[nH]ncc1[N+](=O)[O-]	ZINC000138555932	186017452	/nfs/dbraw/zinc/01/74/52/186017452.db2.gz	MUHWEOPATZRECV-JTQLQIEISA-N	0	0	306.709	2.389	10	5		DEBERN
CC(C)N(CCCO)C(=O)c1cccc(Cl)c1[N+](=O)[O-]	ZINC000155973971	186124738	/nfs/dbraw/zinc/12/47/38/186124738.db2.gz	IDHOPJSAEMJGAK-UHFFFAOYSA-N	0	0	300.742	2.481	10	5		DEBERN
COc1cc(C(=O)NC[C@@H]2CCCC[C@@H]2O)cc([N+](=O)[O-])c1C	ZINC000188007627	186242977	/nfs/dbraw/zinc/24/29/77/186242977.db2.gz	TWSAPSBDODIRBA-FZMZJTMJSA-N	0	0	322.361	2.193	10	5		DEBERN
COC(=O)[C@@H]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C[C@H]1C	ZINC000191866213	186266603	/nfs/dbraw/zinc/26/66/03/186266603.db2.gz	AAMQYODUFLQSQH-BXUZGUMPSA-N	0	0	320.345	2.174	10	5		DEBERN
Cc1ccc([C@@H](C)OC(=O)Cc2cnn(C)c2)cc1[N+](=O)[O-]	ZINC000084809735	192469669	/nfs/dbraw/zinc/46/96/69/192469669.db2.gz	YLXNSUDKBSSOFE-LLVKDONJSA-N	0	0	303.318	2.484	10	5		DEBERN
Cn1cc([C@@H]2CCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)cn1	ZINC000173520540	198223637	/nfs/dbraw/zinc/22/36/37/198223637.db2.gz	LPGCLMFOEHTNLQ-HNNXBMFYSA-N	0	0	314.345	2.235	10	5		DEBERN
Cc1cc(N[C@@H]2CCc3nnc(C(C)C)n3C2)ncc1[N+](=O)[O-]	ZINC000173915058	198268143	/nfs/dbraw/zinc/26/81/43/198268143.db2.gz	BFMYVSLZZXXYAQ-LLVKDONJSA-N	0	0	316.365	2.440	10	5		DEBERN
Cc1nn(C)c(C)c1CCCNC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000182252465	356116991	/nfs/dbraw/zinc/11/69/91/356116991.db2.gz	NVMDFIOFXJXRRH-UHFFFAOYSA-N	0	0	316.361	2.308	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1CN(CC(N)=O)Cc1ccccc1	ZINC000183340787	356169020	/nfs/dbraw/zinc/16/90/20/356169020.db2.gz	TYNZVOAGHDBPEA-UHFFFAOYSA-N	0	0	313.357	2.391	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1NCc1nnc(C(C)C)n1C	ZINC000194980742	356248198	/nfs/dbraw/zinc/24/81/98/356248198.db2.gz	VMYUSTVVSOPWMR-UHFFFAOYSA-N	0	0	305.338	2.467	10	5		DEBERN
CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@]2(O)CCCC[C@H]2C1	ZINC000319232411	356440026	/nfs/dbraw/zinc/44/00/26/356440026.db2.gz	VMGMJZHCENSILQ-SWLSCSKDSA-N	0	0	308.382	2.251	10	5		DEBERN
CCCC[C@@H](C)N(CCCC)C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000359423130	535344269	/nfs/dbraw/zinc/34/42/69/535344269.db2.gz	OIHPPFUDZHOXLR-GFCCVEGCSA-N	0	0	311.386	2.394	10	5		DEBERN
CC(=O)c1cc(CN2CCc3c(cccc3[N+](=O)[O-])C2)on1	ZINC000578334531	356800742	/nfs/dbraw/zinc/80/07/42/356800742.db2.gz	QOEULVLCNQAPSB-UHFFFAOYSA-N	0	0	301.302	2.344	10	5		DEBERN
CC(=O)N1CC[C@@H](CNc2ccc3ncccc3c2[N+](=O)[O-])C1	ZINC000589101660	357443055	/nfs/dbraw/zinc/44/30/55/357443055.db2.gz	HDWRSIIEUQXJJN-LBPRGKRZSA-N	0	0	314.345	2.423	10	5		DEBERN
COC(=O)c1cc([N+](=O)[O-])cn(CC23CCC(CC2)C3)c1=O	ZINC000591885991	357780175	/nfs/dbraw/zinc/78/01/75/357780175.db2.gz	UBGDNPROEHUTAH-UHFFFAOYSA-N	0	0	306.318	2.123	10	5		DEBERN
CCOC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000185906266	199902934	/nfs/dbraw/zinc/90/29/34/199902934.db2.gz	HAAJZPFLXRXJGF-CYBMUJFWSA-N	0	0	306.318	2.071	10	5		DEBERN
CO[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC[C@@H]1C	ZINC000187700675	200146971	/nfs/dbraw/zinc/14/69/71/200146971.db2.gz	VBQLRWRBHXERHJ-NHYWBVRUSA-N	0	0	306.362	2.329	10	5		DEBERN
CC(C)OC(=O)[C@@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000609839687	361343504	/nfs/dbraw/zinc/34/35/04/361343504.db2.gz	XWUULFLHSRIDSG-AWEZNQCLSA-N	0	0	320.345	2.080	10	5		DEBERN
COc1ccc([N+](=O)[O-])c(N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1	ZINC000610282964	361380124	/nfs/dbraw/zinc/38/01/24/361380124.db2.gz	SWTPZVHPQANGGW-RULNRJAQSA-N	0	0	305.334	2.025	10	5		DEBERN
CN(Cc1cn(C)nc1C(F)(F)F)c1cccnc1[N+](=O)[O-]	ZINC000611001622	361510623	/nfs/dbraw/zinc/51/06/23/361510623.db2.gz	KMLKDQHQNOHCQV-UHFFFAOYSA-N	0	0	315.255	2.379	10	5		DEBERN
C[C@H](C(=O)OC(C)(C)C)n1cc(Br)c([N+](=O)[O-])n1	ZINC000090814333	192935185	/nfs/dbraw/zinc/93/51/85/192935185.db2.gz	AMGVDSOXEVRUTM-ZCFIWIBFSA-N	0	0	320.143	2.457	10	5		DEBERN
CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])C1	ZINC000271795721	209223466	/nfs/dbraw/zinc/22/34/66/209223466.db2.gz	LEWPXBKTVAGLRO-AAEUAGOBSA-N	0	0	319.361	2.031	10	5		DEBERN
C[C@H]1CN(C(=O)c2cc(Cl)c(NN)c([N+](=O)[O-])c2)C[C@H]1C	ZINC000092112931	193160350	/nfs/dbraw/zinc/16/03/50/193160350.db2.gz	WSCRURGEJMFXJU-OCAPTIKFSA-N	0	0	312.757	2.262	10	5		DEBERN
COc1cc(C(=O)N[C@H]2CC[C@@H](OC)C2)c([N+](=O)[O-])cc1F	ZINC000451110995	242611065	/nfs/dbraw/zinc/61/10/65/242611065.db2.gz	RFHXNFKMSYQLEE-DTWKUNHWSA-N	0	0	312.297	2.040	10	5		DEBERN
CC[C@H](C)CN(CC)S(=O)(=O)c1cc(N)ccc1[N+](=O)[O-]	ZINC000093265194	193222479	/nfs/dbraw/zinc/22/24/79/193222479.db2.gz	AMLWUUCNCDBWHB-JTQLQIEISA-N	0	0	315.395	2.234	10	5		DEBERN
CCC[C@H](C)N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1C	ZINC000094780550	193397705	/nfs/dbraw/zinc/39/77/05/193397705.db2.gz	UTUSCWOGYSTMIO-JTQLQIEISA-N	0	0	315.395	2.295	10	5		DEBERN
COC(=O)c1cc(N[C@@H]2C[C@@H](O)C2(C)C)cc(C)c1[N+](=O)[O-]	ZINC000274981360	212056552	/nfs/dbraw/zinc/05/65/52/212056552.db2.gz	BTYQKFGHNWXKSI-VXGBXAGGSA-N	0	0	308.334	2.261	10	5		DEBERN
O=C(NCCNc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CC1	ZINC000160821931	197440919	/nfs/dbraw/zinc/44/09/19/197440919.db2.gz	WRIQGOBLLKSCNU-UHFFFAOYSA-N	0	0	301.705	2.325	10	5		DEBERN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[C@H]1C=CS(=O)(=O)C1	ZINC000019538448	182129100	/nfs/dbraw/zinc/12/91/00/182129100.db2.gz	IBQAWMQIXJARBK-QMMMGPOBSA-N	0	0	322.264	2.336	10	5		DEBERN
N[C@@H]1c2cc([N+](=O)[O-])ccc2N(Cc2ccc(F)cc2)C1=O	ZINC000019795697	182150978	/nfs/dbraw/zinc/15/09/78/182150978.db2.gz	UHGZLLGOGMWLST-CQSZACIVSA-N	0	0	301.277	2.281	10	5		DEBERN
CO[C@@H]1CC[C@H](NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1	ZINC000530355560	284407111	/nfs/dbraw/zinc/40/71/11/284407111.db2.gz	QXILHNDDCCULFN-QWHCGFSZSA-N	0	0	319.361	2.230	10	5		DEBERN
CCCCN1C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O	ZINC000021450964	182274074	/nfs/dbraw/zinc/27/40/74/182274074.db2.gz	XRPOJSXGTYFJDN-NSHDSACASA-N	0	0	305.334	2.182	10	5		DEBERN
CCCCN1C[C@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1=O	ZINC000021451016	182274621	/nfs/dbraw/zinc/27/46/21/182274621.db2.gz	CZNISWIFJLBIJT-SNVBAGLBSA-N	0	0	323.324	2.321	10	5		DEBERN
CC(C)COCCC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1	ZINC000487025106	248743380	/nfs/dbraw/zinc/74/33/80/248743380.db2.gz	BKCRSBNJHWWIOD-UHFFFAOYSA-N	0	0	324.381	2.018	10	5		DEBERN
O=c1c(I)coc2ccc([N+](=O)[O-])cc12	ZINC000038248123	182996423	/nfs/dbraw/zinc/99/64/23/182996423.db2.gz	XTMRMQUZAQGEGN-UHFFFAOYSA-N	0	0	317.038	2.306	10	5		DEBERN
CC(=O)Nc1ccc(Nc2ncnc(N(C)C)c2[N+](=O)[O-])cc1	ZINC000040608575	183109140	/nfs/dbraw/zinc/10/91/40/183109140.db2.gz	UULPQRPSAYZEJE-UHFFFAOYSA-N	0	0	316.321	2.153	10	5		DEBERN
COC(=O)COc1cc(C(F)(F)F)c([N+](=O)[O-])c(Cl)n1	ZINC000044154541	183396335	/nfs/dbraw/zinc/39/63/35/183396335.db2.gz	DPYGRWNLYJDTNI-UHFFFAOYSA-N	0	0	314.603	2.214	10	5		DEBERN
C[C@@H](Nc1[nH]cnc(=NN)c1[N+](=O)[O-])c1ccc(Cl)cc1	ZINC000159509064	197358484	/nfs/dbraw/zinc/35/84/84/197358484.db2.gz	JGHZWNHVHSJGME-SSDOTTSWSA-N	0	0	308.729	2.497	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N2Cc3ccccc3C2)s1	ZINC000106231052	194191872	/nfs/dbraw/zinc/19/18/72/194191872.db2.gz	OKNUSECCIAYKOI-UHFFFAOYSA-N	0	0	310.356	2.361	10	5		DEBERN
CCC[C@H](C)NS(=O)(=O)c1ccc(NCC)cc1[N+](=O)[O-]	ZINC000050632729	183791601	/nfs/dbraw/zinc/79/16/01/183791601.db2.gz	QNYGWTRSOXUVDJ-JTQLQIEISA-N	0	0	315.395	2.494	10	5		DEBERN
C[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(N)cc2[N+](=O)[O-])C1	ZINC000050653664	183795186	/nfs/dbraw/zinc/79/51/86/183795186.db2.gz	KJBCBHZYUKXHLV-GXSJLCMTSA-N	0	0	313.379	2.034	10	5		DEBERN
CC[NH2+][C@@H](CCOc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-]	ZINC000069508174	184520903	/nfs/dbraw/zinc/52/09/03/184520903.db2.gz	YGOMHDFMCCFQBG-JTQLQIEISA-N	0	0	302.714	2.080	10	5		DEBERN
COC(=O)c1cc(NCc2cnn(C)c2C)cc(C)c1[N+](=O)[O-]	ZINC000270286200	208360859	/nfs/dbraw/zinc/36/08/59/208360859.db2.gz	NEDHWZCDIKUVLK-UHFFFAOYSA-N	0	0	318.333	2.344	10	5		DEBERN
CNc1cc(Sc2n[nH]c(=O)n2C2CC2)cc([N+](=O)[O-])c1	ZINC000158885446	197308558	/nfs/dbraw/zinc/30/85/58/197308558.db2.gz	VLVNYODLJWXXRC-UHFFFAOYSA-N	0	0	307.335	2.007	10	5		DEBERN
CC[C@@H]1CN(C(=O)c2cc(N)c(F)cc2[N+](=O)[O-])CCS1	ZINC000158054650	197240113	/nfs/dbraw/zinc/24/01/13/197240113.db2.gz	YIRWLMOFEHBKDP-MRVPVSSYSA-N	0	0	313.354	2.284	10	5		DEBERN
Cc1cc([N+](=O)[O-])c(Cl)cc1N1C[C@H](CO)OC[C@@H]1C	ZINC000157728324	197211167	/nfs/dbraw/zinc/21/11/67/197211167.db2.gz	FNXIZKRPOGHKKZ-VHSXEESVSA-N	0	0	300.742	2.143	10	5		DEBERN
CC[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(NC)s1	ZINC000157581711	197200213	/nfs/dbraw/zinc/20/02/13/197200213.db2.gz	KORYBQPBACGVOB-ZETCQYMHSA-N	0	0	307.397	2.022	10	5		DEBERN
CCSCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1NN	ZINC000157334479	197179765	/nfs/dbraw/zinc/17/97/65/197179765.db2.gz	HDCBMFHIBUWHBB-VIFPVBQESA-N	0	0	312.395	2.142	10	5		DEBERN
CSc1ccc(C(=O)N2[C@@H](C)CN(C)C[C@@H]2C)cc1[N+](=O)[O-]	ZINC000155106807	197022525	/nfs/dbraw/zinc/02/25/25/197022525.db2.gz	QLXUKOYQMVSJTD-QWRGUYRKSA-N	0	0	323.418	2.481	10	5		DEBERN
CC(C)(C)[C@H](O)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000120386106	195156144	/nfs/dbraw/zinc/15/61/44/195156144.db2.gz	IZEQFUNZLXCZBE-LLVKDONJSA-N	0	0	300.742	2.385	10	5		DEBERN
CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@@H](C)C1	ZINC000248479109	285368861	/nfs/dbraw/zinc/36/88/61/285368861.db2.gz	QCJWQPDELHRDGP-SMDDNHRTSA-N	0	0	321.377	2.103	10	5		DEBERN
CCOC(=O)CNCc1cc(Br)ccc1[N+](=O)[O-]	ZINC000122070418	195396894	/nfs/dbraw/zinc/39/68/94/195396894.db2.gz	DRCUBHIDIWEJRT-UHFFFAOYSA-N	0	0	317.139	2.010	10	5		DEBERN
COCCOCCOCCOc1cc([N+](=O)[O-])ccc1Cl	ZINC000127962423	195925200	/nfs/dbraw/zinc/92/52/00/195925200.db2.gz	XQBHAMWYZIZHTO-UHFFFAOYSA-N	0	0	319.741	2.307	10	5		DEBERN
O=C(NC1(C(F)(F)F)CCOCC1)c1ccccc1[N+](=O)[O-]	ZINC000359889927	133151125	/nfs/dbraw/zinc/15/11/25/133151125.db2.gz	NDLPPQUXLLVFSA-UHFFFAOYSA-N	0	0	318.251	2.436	10	5		DEBERN
CNC(=O)[C@H](NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)C(C)C	ZINC000184479436	144944700	/nfs/dbraw/zinc/94/47/00/144944700.db2.gz	YMDJISCHHIXICI-CYBMUJFWSA-N	0	0	322.365	2.104	10	5		DEBERN
NC(=O)CCCCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1	ZINC000188941211	145020066	/nfs/dbraw/zinc/02/00/66/145020066.db2.gz	ZVFJOCNKTHLAKQ-UHFFFAOYSA-N	0	0	319.361	2.132	10	5		DEBERN
Cc1ccc([C@H](C)NCc2ccc(C(N)=O)cc2[N+](=O)[O-])o1	ZINC000192532415	145075111	/nfs/dbraw/zinc/07/51/11/145075111.db2.gz	BNCYDLPEFZQTAY-JTQLQIEISA-N	0	0	303.318	2.446	10	5		DEBERN
Cc1cc(N2CCC[C@@H](c3ccnc(N)n3)C2)ncc1[N+](=O)[O-]	ZINC000192752848	145078381	/nfs/dbraw/zinc/07/83/81/145078381.db2.gz	JENJLCVASGGVTF-LLVKDONJSA-N	0	0	314.349	2.054	10	5		DEBERN
COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000248847289	145170244	/nfs/dbraw/zinc/17/02/44/145170244.db2.gz	PJXQEUSDNRXRFD-UBHSHLNASA-N	0	0	318.329	2.009	10	5		DEBERN
CC(=O)N1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1	ZINC000357333968	147088740	/nfs/dbraw/zinc/08/87/40/147088740.db2.gz	XPRREUJOFPFLAE-SNVBAGLBSA-N	0	0	311.769	2.301	10	5		DEBERN
COc1ccc(C)cc1C(=O)Cn1cc([N+](=O)[O-])cc(C)c1=O	ZINC000127163295	401722894	/nfs/dbraw/zinc/72/28/94/401722894.db2.gz	SUZNBOKEHBMBGL-UHFFFAOYSA-N	0	0	316.313	2.265	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(Cc2nc(C)c3ccccc3n2)c1=O	ZINC000127160461	401722926	/nfs/dbraw/zinc/72/29/26/401722926.db2.gz	RHQOCNZRQXENLN-UHFFFAOYSA-N	0	0	310.313	2.365	10	5		DEBERN
O=C(NCCCCOCc1ccccc1)c1[nH]ncc1[N+](=O)[O-]	ZINC000127192638	401724259	/nfs/dbraw/zinc/72/42/59/401724259.db2.gz	ADUZHFUCKBLDRN-UHFFFAOYSA-N	0	0	318.333	2.045	10	5		DEBERN
Cc1cc(N[C@@H]2CCN(C)C2=O)c2cccc([N+](=O)[O-])c2n1	ZINC000127362807	401730951	/nfs/dbraw/zinc/73/09/51/401730951.db2.gz	MIXVFLBKVFMCDR-LLVKDONJSA-N	0	0	300.318	2.094	10	5		DEBERN
Cc1nn(C)c(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)c1[N+](=O)[O-]	ZINC000110440578	401690276	/nfs/dbraw/zinc/69/02/76/401690276.db2.gz	JCWWQWSLCUWUNI-CHWSQXEVSA-N	0	0	314.345	2.170	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1OCc1nnc(C)n1C1CC1	ZINC000130445059	401832137	/nfs/dbraw/zinc/83/21/37/401832137.db2.gz	YDUDOPGLNXBFOX-UHFFFAOYSA-N	0	0	304.306	2.417	10	5		DEBERN
C[C@@H](CO)[C@@H](C)NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1	ZINC000077839463	401834659	/nfs/dbraw/zinc/83/46/59/401834659.db2.gz	ZYVZFIDMEJHOAS-QWHCGFSZSA-N	0	0	323.393	2.234	10	5		DEBERN
C[C@@H](O)C1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1	ZINC000118729174	401905769	/nfs/dbraw/zinc/90/57/69/401905769.db2.gz	PDSJBBCKYGWIBZ-GFCCVEGCSA-N	0	0	321.377	2.016	10	5		DEBERN
Cc1sc(C(=O)Nc2cccc(C(N)=O)c2)cc1[N+](=O)[O-]	ZINC000045197111	401955595	/nfs/dbraw/zinc/95/55/95/401955595.db2.gz	IPOYSXMRARYNGE-UHFFFAOYSA-N	0	0	305.315	2.316	10	5		DEBERN
O=[N+]([O-])c1cc(CN2CCN(Cc3cccnc3)CC2)cs1	ZINC000091076492	401992007	/nfs/dbraw/zinc/99/20/07/401992007.db2.gz	YKDHVZJITIOZDM-UHFFFAOYSA-N	0	0	318.402	2.369	10	5		DEBERN
Cc1cc2c(I)[nH]nc2cc1[N+](=O)[O-]	ZINC000043220665	401937855	/nfs/dbraw/zinc/93/78/55/401937855.db2.gz	YXDWZCAMTKGVSY-UHFFFAOYSA-N	0	0	303.059	2.384	10	5		DEBERN
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000049730514	402020993	/nfs/dbraw/zinc/02/09/93/402020993.db2.gz	GPIBPUANBNMESE-KWCYVHTRSA-N	0	0	308.382	2.368	10	5		DEBERN
O=[N+]([O-])c1cccc(CN(C[C@@H](O)C(F)(F)F)C2CC2)c1	ZINC000121518505	402041278	/nfs/dbraw/zinc/04/12/78/402041278.db2.gz	HCHLMLAMMQCPEA-GFCCVEGCSA-N	0	0	304.268	2.482	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](C)C1CCOCC1	ZINC000121517020	402041442	/nfs/dbraw/zinc/04/14/42/402041442.db2.gz	WXZXXMWJKXEODS-LLVKDONJSA-N	0	0	322.361	2.282	10	5		DEBERN
CCOC(=O)CCN(C(=O)c1ccc([N+](=O)[O-])o1)C(C)(C)C	ZINC000122310895	402071699	/nfs/dbraw/zinc/07/16/99/402071699.db2.gz	CKGDFUKPAWZFDB-UHFFFAOYSA-N	0	0	312.322	2.382	10	5		DEBERN
COC[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1	ZINC000122604693	402086611	/nfs/dbraw/zinc/08/66/11/402086611.db2.gz	ZFQDRQIIKMOYTQ-AWEZNQCLSA-N	0	0	303.318	2.231	10	5		DEBERN
Cn1cc([C@@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)C2)cn1	ZINC000123032887	402107208	/nfs/dbraw/zinc/10/72/08/402107208.db2.gz	RDZPOTGIOVTOBL-SECBINFHSA-N	0	0	307.741	2.371	10	5		DEBERN
Cn1cc([C@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)C2)cn1	ZINC000123033062	402107383	/nfs/dbraw/zinc/10/73/83/402107383.db2.gz	RDZPOTGIOVTOBL-VIFPVBQESA-N	0	0	307.741	2.371	10	5		DEBERN
Cc1n[nH]cc1CCCNC(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000063554215	402113392	/nfs/dbraw/zinc/11/33/92/402113392.db2.gz	HWPBDHBOJQONMQ-UHFFFAOYSA-N	0	0	302.334	2.297	10	5		DEBERN
COC(=O)/C=C/c1ccc(N[C@H](C)CCCO)c([N+](=O)[O-])c1	ZINC000153900242	402178482	/nfs/dbraw/zinc/17/84/82/402178482.db2.gz	WNNCYYJSCFPUJH-LXSSAFMLSA-N	0	0	308.334	2.354	10	5		DEBERN
O=C(CNc1ccccc1[N+](=O)[O-])N1CCO[C@H]2CCCC[C@@H]21	ZINC000068217335	402187487	/nfs/dbraw/zinc/18/74/87/402187487.db2.gz	LHQOHWIHGQCCNM-GJZGRUSLSA-N	0	0	319.361	2.177	10	5		DEBERN
Cc1cc(C(=O)Nc2cnc(N(C)C)nc2)ccc1[N+](=O)[O-]	ZINC000125101251	402213390	/nfs/dbraw/zinc/21/33/90/402213390.db2.gz	GBSFBWYDQXPSCL-UHFFFAOYSA-N	0	0	301.306	2.012	10	5		DEBERN
CS(=O)(=O)c1cc(NC[C@H]2CCCS2)ccc1[N+](=O)[O-]	ZINC000126049524	402262142	/nfs/dbraw/zinc/26/21/42/402262142.db2.gz	SKFPEHPQEKYTIP-SNVBAGLBSA-N	0	0	316.404	2.306	10	5		DEBERN
NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21	ZINC000154360560	402208788	/nfs/dbraw/zinc/20/87/88/402208788.db2.gz	BNEAICFCWPHNGH-VHDGCEQUSA-N	0	0	324.340	2.229	10	5		DEBERN
CCNC(=O)N1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1	ZINC000070870085	402265882	/nfs/dbraw/zinc/26/58/82/402265882.db2.gz	OJRLIJVFRLJOSM-LBPRGKRZSA-N	0	0	306.366	2.003	10	5		DEBERN
COc1cccc(N2CCC[C@H](Cn3cncn3)C2)c1[N+](=O)[O-]	ZINC000185390778	402349056	/nfs/dbraw/zinc/34/90/56/402349056.db2.gz	SWOWUYQUABFVQR-LBPRGKRZSA-N	0	0	317.349	2.112	10	5		DEBERN
Cc1noc(NC(=O)CSc2ccc([N+](=O)[O-])cc2F)n1	ZINC000185152456	402328650	/nfs/dbraw/zinc/32/86/50/402328650.db2.gz	NZFIGHQOKVNAFO-UHFFFAOYSA-N	0	0	312.282	2.156	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC1(O)CCCC1	ZINC000186348404	402423719	/nfs/dbraw/zinc/42/37/19/402423719.db2.gz	HGDIUJDHFYDNIB-ZRDIBKRKSA-N	0	0	304.346	2.419	10	5		DEBERN
CCCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)C(=O)OC	ZINC000186472886	402433827	/nfs/dbraw/zinc/43/38/27/402433827.db2.gz	DFQRLPRNNPHXHU-ZDUSSCGKSA-N	0	0	308.334	2.365	10	5		DEBERN
Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)cc1[N+](=O)[O-]	ZINC000163094181	402441166	/nfs/dbraw/zinc/44/11/66/402441166.db2.gz	PGFAUBLGRGYOGH-GHMZBOCLSA-N	0	0	320.349	2.069	10	5		DEBERN
C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCC1=O	ZINC000186567367	402442013	/nfs/dbraw/zinc/44/20/13/402442013.db2.gz	GNAIHJYDCDRBRQ-VIFPVBQESA-N	0	0	310.737	2.228	10	5		DEBERN
CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@@H](C)C1	ZINC000245696254	402480200	/nfs/dbraw/zinc/48/02/00/402480200.db2.gz	LAURDKJOGNTFPJ-FZMZJTMJSA-N	0	0	321.377	2.103	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1Cc2ccccc2[C@@H]1O	ZINC000178335061	402486558	/nfs/dbraw/zinc/48/65/58/402486558.db2.gz	UNJINNSMUVYFDU-HOTGVXAUSA-N	0	0	312.325	2.291	10	5		DEBERN
Cc1cnc(OCc2nnc(C3CCC3)n2C)c([N+](=O)[O-])c1	ZINC000181123027	402635875	/nfs/dbraw/zinc/63/58/75/402635875.db2.gz	NBRPFSCHMDEHAO-UHFFFAOYSA-N	0	0	303.322	2.273	10	5		DEBERN
Cc1sc(C(=O)N[C@H](CO)c2ccccc2)cc1[N+](=O)[O-]	ZINC000182697004	402709612	/nfs/dbraw/zinc/70/96/12/402709612.db2.gz	BZNBYTNDWCLNPW-LLVKDONJSA-N	0	0	306.343	2.428	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)C(C)C	ZINC000172665663	402668974	/nfs/dbraw/zinc/66/89/74/402668974.db2.gz	WRHHDYWWGSHRRG-JTQLQIEISA-N	0	0	316.379	2.174	10	5		DEBERN
Cc1ccc2c(c1)[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)[C@H](C)C2	ZINC000182212424	402672630	/nfs/dbraw/zinc/67/26/30/402672630.db2.gz	CWPJNLIMUAFPLK-BZNIZROVSA-N	0	0	314.345	2.149	10	5		DEBERN
C[C@H](O)C1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1	ZINC000255025125	402675777	/nfs/dbraw/zinc/67/57/77/402675777.db2.gz	OAQVEGYJRLXRPO-KMSCOEIWSA-N	0	0	304.346	2.227	10	5		DEBERN
Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1csc([N+](=O)[O-])c1	ZINC000173492670	402700072	/nfs/dbraw/zinc/70/00/72/402700072.db2.gz	JDFBKYRDJFXHTD-MRVPVSSYSA-N	0	0	322.390	2.368	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1CN(CCO)Cc1cccnc1	ZINC000183329423	402757274	/nfs/dbraw/zinc/75/72/74/402757274.db2.gz	CPUDEKZOVJNTGI-UHFFFAOYSA-N	0	0	301.346	2.293	10	5		DEBERN
COC(=O)C[C@@H]1CSCCN1Cc1ccc([N+](=O)[O-])cc1C	ZINC000183362793	402760178	/nfs/dbraw/zinc/76/01/78/402760178.db2.gz	RDDNWGJKBKMKQY-CQSZACIVSA-N	0	0	324.402	2.384	10	5		DEBERN
Cc1cnc(CCN(C)C(=O)Nc2ccncc2[N+](=O)[O-])s1	ZINC000183574009	402778026	/nfs/dbraw/zinc/77/80/26/402778026.db2.gz	YOSAJRNVVVPLAA-UHFFFAOYSA-N	0	0	321.362	2.461	10	5		DEBERN
Cc1ccc([C@@H](C)NC(=O)NCc2ccnn2C)cc1[N+](=O)[O-]	ZINC000175837991	402836935	/nfs/dbraw/zinc/83/69/35/402836935.db2.gz	PRPNPDIGYSJCER-LLVKDONJSA-N	0	0	317.349	2.197	10	5		DEBERN
CC(C)(C)[C@@H](O)CNC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000268715181	403109085	/nfs/dbraw/zinc/10/90/85/403109085.db2.gz	MVZKQPMEYRIHRH-NSHDSACASA-N	0	0	300.742	2.385	10	5		DEBERN
CC1(C)SC[C@H]1Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000276375011	403168769	/nfs/dbraw/zinc/16/87/69/403168769.db2.gz	CACUCSRIYOHZOI-LLVKDONJSA-N	0	0	316.404	2.304	10	5		DEBERN
O=c1[nH]cnc2cc(NC[C@@H](O)C3CCCC3)c([N+](=O)[O-])cc12	ZINC000301306740	403613567	/nfs/dbraw/zinc/61/35/67/403613567.db2.gz	ZIQCCKINVVEDJP-CQSZACIVSA-N	0	0	318.333	2.207	10	5		DEBERN
Cc1cc(C[C@@H](C)NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)[nH]n1	ZINC000567041925	292284488	/nfs/dbraw/zinc/28/44/88/292284488.db2.gz	DKAXERWJKOXNQZ-ZYHUDNBSSA-N	0	0	316.361	2.477	10	5		DEBERN
C[C@H]1[C@@H](O)CCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21	ZINC000296283511	404178110	/nfs/dbraw/zinc/17/81/10/404178110.db2.gz	ZAONAICGZXCWSN-XPTSAGLGSA-N	0	0	303.318	2.062	10	5		DEBERN
CNc1c(C(=O)N(C)Cc2cc(C)on2)cccc1[N+](=O)[O-]	ZINC000361125556	404932431	/nfs/dbraw/zinc/93/24/31/404932431.db2.gz	XGGXTSJWPFTHQH-UHFFFAOYSA-N	0	0	304.306	2.205	10	5		DEBERN
O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC3CCC2CC3)c1	ZINC000378376274	404947892	/nfs/dbraw/zinc/94/78/92/404947892.db2.gz	ISXDASDQPWHKRL-UHFFFAOYSA-N	0	0	310.375	2.299	10	5		DEBERN
CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1	ZINC000367291791	404998214	/nfs/dbraw/zinc/99/82/14/404998214.db2.gz	VKCFTHFUBGQATO-OSQNNJELSA-N	0	0	317.345	2.219	10	5		DEBERN
CCOc1ccc(C(=O)N2CCOCC[C@@H]2C)cc1[N+](=O)[O-]	ZINC000367748500	405143328	/nfs/dbraw/zinc/14/33/28/405143328.db2.gz	IFANVTNLMSTSNS-NSHDSACASA-N	0	0	308.334	2.245	10	5		DEBERN
Cc1ccc2c(n1)OCCN2C(=O)c1csc([N+](=O)[O-])c1	ZINC000180433256	292380659	/nfs/dbraw/zinc/38/06/59/292380659.db2.gz	IFFNVYRACWBWMK-UHFFFAOYSA-N	0	0	305.315	2.399	10	5		DEBERN
Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCCC(F)(F)C1	ZINC000488962639	406365562	/nfs/dbraw/zinc/36/55/62/406365562.db2.gz	TXAUEHIFNZKTAK-SNVBAGLBSA-N	0	0	316.308	2.184	10	5		DEBERN
COC(=O)c1cc(C)nc(NC2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-]	ZINC000553464621	406759707	/nfs/dbraw/zinc/75/97/07/406759707.db2.gz	GJJAKSXGPRNWIP-NXEZZACHSA-N	0	0	323.349	2.453	10	5		DEBERN
CCOc1cc(I)c([N+](=O)[O-])c(C=O)c1	ZINC000575698094	406819841	/nfs/dbraw/zinc/81/98/41/406819841.db2.gz	BAMKSLWSYZRYOW-UHFFFAOYSA-N	0	0	321.070	2.411	10	5		DEBERN
COc1cc(I)c([N+](=O)[O-])c(C=O)c1	ZINC000575728490	406825994	/nfs/dbraw/zinc/82/59/94/406825994.db2.gz	TVDJPIJMIKUKIV-UHFFFAOYSA-N	0	0	307.043	2.021	10	5		DEBERN
COc1cc(I)cc([N+](=O)[O-])c1C=O	ZINC000575729039	406826002	/nfs/dbraw/zinc/82/60/02/406826002.db2.gz	YIXCCXNEJFWPQM-UHFFFAOYSA-N	0	0	307.043	2.021	10	5		DEBERN
CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H](C(C)(C)C)[C@@H](O)C1	ZINC000571594911	292558659	/nfs/dbraw/zinc/55/86/59/292558659.db2.gz	UBMBBPVNMSVRHJ-NEPJUHHUSA-N	0	0	310.398	2.353	10	5		DEBERN
O=[N+]([O-])c1c(NC[C@]2(CCO)CCOC2)ccc2ncccc21	ZINC000131693994	196192016	/nfs/dbraw/zinc/19/20/16/196192016.db2.gz	KTRVKPQTZRCAHE-INIZCTEOSA-N	0	0	317.345	2.344	10	5		DEBERN
C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1)C1CCCC1	ZINC000132728250	196278984	/nfs/dbraw/zinc/27/89/84/196278984.db2.gz	CVSVTUGJIPSMBG-SECBINFHSA-N	0	0	313.379	2.034	10	5		DEBERN
CCNc1ncnc(N(C)Cc2csc(C)n2)c1[N+](=O)[O-]	ZINC000132944476	196298498	/nfs/dbraw/zinc/29/84/98/196298498.db2.gz	OZROHAYPDZJUHT-UHFFFAOYSA-N	0	0	308.367	2.218	10	5		DEBERN
COCCN(CCC(=O)OC)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000133871363	196342232	/nfs/dbraw/zinc/34/22/32/196342232.db2.gz	JQQBTFVYVLUXMW-UHFFFAOYSA-N	0	0	316.741	2.264	10	5		DEBERN
O=[N+]([O-])c1cc(Cl)c(F)cc1NC[C@H]1CCCS1(=O)=O	ZINC000134170484	196367757	/nfs/dbraw/zinc/36/77/57/196367757.db2.gz	OAXGTLWDQAMWEE-SSDOTTSWSA-N	0	0	322.745	2.376	10	5		DEBERN
COC(=O)c1ccc([N+](=O)[O-])c(Sc2nccc(=O)[nH]2)c1	ZINC000134361173	196382141	/nfs/dbraw/zinc/38/21/41/196382141.db2.gz	DXTFMOZTFOAMOP-UHFFFAOYSA-N	0	0	307.287	2.028	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)CC(=O)c1ccco1	ZINC000155362882	224684130	/nfs/dbraw/zinc/68/41/30/224684130.db2.gz	WXQCNLABVMEGER-SECBINFHSA-N	0	0	317.301	2.283	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCO[C@H]2CC(C)C)n1	ZINC000191716640	225116497	/nfs/dbraw/zinc/11/64/97/225116497.db2.gz	PJASYAVPBJLROX-YPMHNXCESA-N	0	0	324.381	2.135	10	5		DEBERN
COC(=O)c1cc(C)nc(NCC(C2CC2)C2CC2)c1[N+](=O)[O-]	ZINC000553070668	424876783	/nfs/dbraw/zinc/87/67/83/424876783.db2.gz	XKTAZPOBVRSRTP-UHFFFAOYSA-N	0	0	319.361	2.933	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)Cn1ccnc1	ZINC000153806321	424860477	/nfs/dbraw/zinc/86/04/77/424860477.db2.gz	PNTLWXFHSXOTEJ-NSHDSACASA-N	0	0	302.334	2.166	10	5		DEBERN
Cn1c2ccccc2n(Cc2c(F)cccc2[N+](=O)[O-])c1=O	ZINC000505563920	269311242	/nfs/dbraw/zinc/31/12/42/269311242.db2.gz	JVPWBIRYAXHJPK-UHFFFAOYSA-N	0	0	301.277	2.436	10	5		DEBERN
CC(C)C(=O)N[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1	ZINC000301137304	277334808	/nfs/dbraw/zinc/33/48/08/277334808.db2.gz	BXHONYQAKAJEQF-LBPRGKRZSA-N	0	0	309.341	2.475	10	5		DEBERN
C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@H]1C[C@@]12CCOC2	ZINC000364941336	278038384	/nfs/dbraw/zinc/03/83/84/278038384.db2.gz	KNMQIGKJBAPUNJ-CKUKBARFSA-N	0	0	302.330	2.299	10	5		DEBERN
C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	ZINC000172101706	278038467	/nfs/dbraw/zinc/03/84/67/278038467.db2.gz	UHVCXTDEOHCSSI-OBEQPXDXSA-N	0	0	302.330	2.440	10	5		DEBERN
Cc1c(C(=O)N2[C@H](C)COC[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000131127268	278589576	/nfs/dbraw/zinc/58/95/76/278589576.db2.gz	QZLPUKOLQNTLOO-DTORHVGOSA-N	0	0	323.305	2.061	10	5		DEBERN
CCCN(CC(=O)OC)C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1	ZINC000185427791	278767309	/nfs/dbraw/zinc/76/73/09/278767309.db2.gz	BGJZAJYAUSZELP-ZRDIBKRKSA-N	0	0	320.345	2.410	10	5		DEBERN
CC(C)N(C(=O)COc1ccccc1[N+](=O)[O-])C1CCOCC1	ZINC000078182056	279288455	/nfs/dbraw/zinc/28/84/55/279288455.db2.gz	YCIJQCGULIZODC-UHFFFAOYSA-N	0	0	322.361	2.390	10	5		DEBERN
O=[N+]([O-])c1cnc2ccccc2c1N1CCC2(CC1)OCCO2	ZINC000291666070	280382956	/nfs/dbraw/zinc/38/29/56/280382956.db2.gz	PKFQPCQTVWYLNW-UHFFFAOYSA-N	0	0	315.329	2.486	10	5		DEBERN
Nc1ccc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1[N+](=O)[O-]	ZINC000113892049	295350733	/nfs/dbraw/zinc/35/07/33/295350733.db2.gz	BPLFDSNUFPLEIQ-CYBMUJFWSA-N	0	0	315.333	2.268	10	5		DEBERN
C[C@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CC[S@](=O)C1	ZINC000292088982	300295786	/nfs/dbraw/zinc/29/57/86/300295786.db2.gz	YNBYKZNUCLTWAY-SAHAZLINSA-N	0	0	319.386	2.348	10	5		DEBERN
COC(=O)CSc1c([N+](=O)[O-])cc([N+](=O)[O-])c2cccnc21	ZINC000584606774	337371710	/nfs/dbraw/zinc/37/17/10/337371710.db2.gz	PIYPYUBVSDZLDR-UHFFFAOYSA-N	0	0	323.286	2.316	10	5		DEBERN
O=[N+]([O-])c1ccc([N+](=O)[O-])c2c1ccc([N+](=O)[O-])c2[N+](=O)[O-]	ZINC000584659226	337378192	/nfs/dbraw/zinc/37/81/92/337378192.db2.gz	MKTSCAFKAFCYJB-UHFFFAOYSA-N	0	0	308.162	2.473	10	5		DEBERN
COC(=O)[C@H](c1ccccc1F)c1nc(OC)ccc1[N+](=O)[O-]	ZINC000584661874	337378448	/nfs/dbraw/zinc/37/84/48/337378448.db2.gz	SKBBGSGUJGEWHM-CYBMUJFWSA-N	0	0	320.276	2.442	10	5		DEBERN
COc1cc(F)c([N+](=O)[O-])c(NCc2ccnc3ccnn32)c1	ZINC000302045945	533996348	/nfs/dbraw/zinc/99/63/48/533996348.db2.gz	NCXMBXZUNHUEQL-UHFFFAOYSA-N	0	0	317.280	2.397	10	5		DEBERN
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(CCO)CC1	ZINC000188026050	534005835	/nfs/dbraw/zinc/00/58/35/534005835.db2.gz	QAOYHFZTBJNJFC-LLVKDONJSA-N	0	0	324.402	2.354	10	5		DEBERN
COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCC[C@@H]2CCO)c1	ZINC000302461490	534246881	/nfs/dbraw/zinc/24/68/81/534246881.db2.gz	RNOMKKRGYBEZBA-ZYHUDNBSSA-N	0	0	308.334	2.344	10	5		DEBERN
NC(=O)c1cc([N+](=O)[O-])cnc1NCCc1ccc(F)cc1F	ZINC000301229584	534474004	/nfs/dbraw/zinc/47/40/04/534474004.db2.gz	ITNLOZBFGWTJKP-UHFFFAOYSA-N	0	0	322.271	2.022	10	5		DEBERN
COCCCOC1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1	ZINC000153772444	523388643	/nfs/dbraw/zinc/38/86/43/523388643.db2.gz	PZHZKNARZGQEPE-UHFFFAOYSA-N	0	0	323.349	2.172	10	5		DEBERN
COC(=O)[C@@H](NCCCNc1ccc(C)cc1[N+](=O)[O-])C1CC1	ZINC000358825760	536453659	/nfs/dbraw/zinc/45/36/59/536453659.db2.gz	XHHANNHGSGCDBC-HNNXBMFYSA-N	0	0	321.377	2.246	10	5		DEBERN
CCS[C@H]1CC[C@]1(O)CNc1cc(CO)ccc1[N+](=O)[O-]	ZINC000302057007	529234800	/nfs/dbraw/zinc/23/48/00/529234800.db2.gz	QSPHZOSMMRYONM-KBPBESRZSA-N	0	0	312.391	2.146	10	5		DEBERN
CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H](C(C)(C)C)[C@@H](O)C1	ZINC000408332112	536144506	/nfs/dbraw/zinc/14/45/06/536144506.db2.gz	UVHFXPQOTCDADY-RYUDHWBXSA-N	0	0	310.398	2.353	10	5		DEBERN
CO[C@H]1CC[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000451107393	536759662	/nfs/dbraw/zinc/75/96/62/536759662.db2.gz	IMUPFLZEWYOKMA-OCCSQVGLSA-N	0	0	320.345	2.241	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2nccn2)cc1	ZINC000049760243	623254992	/nfs/dbraw/zinc/25/49/92/623254992.db2.gz	PZIXCIWYIJRDFJ-UHFFFAOYSA-N	0	0	324.300	2.131	10	5		DEBERN
C[C@@H](OC(=O)CNC(=O)C(C)(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000098161180	624702930	/nfs/dbraw/zinc/70/29/30/624702930.db2.gz	HKXNTYAUPHTELX-SNVBAGLBSA-N	0	0	308.334	2.361	10	5		DEBERN
C[C@H](CC(=O)OCCn1cnc([N+](=O)[O-])n1)c1cccc(F)c1	ZINC000176693332	624914200	/nfs/dbraw/zinc/91/42/00/624914200.db2.gz	SDQNNYLEKDISKD-SNVBAGLBSA-N	0	0	322.296	2.062	10	5		DEBERN
C[C@@H](CC(=O)OCCn1cnc([N+](=O)[O-])n1)c1cccc(F)c1	ZINC000176693312	624914261	/nfs/dbraw/zinc/91/42/61/624914261.db2.gz	SDQNNYLEKDISKD-JTQLQIEISA-N	0	0	322.296	2.062	10	5		DEBERN
CCOC(=O)[C@H](C)OC(=O)c1ccc(OCC)c([N+](=O)[O-])c1	ZINC000725917701	633130198	/nfs/dbraw/zinc/13/01/98/633130198.db2.gz	IDHKMUUKTZVRGR-VIFPVBQESA-N	0	0	311.290	2.102	10	5		DEBERN
O=[N+]([O-])c1cc(Cl)c(N2CCC[C@@](O)(CO)C2)c(Cl)c1	ZINC000313665701	633733618	/nfs/dbraw/zinc/73/36/18/633733618.db2.gz	HUSDKPPMFNRFES-LBPRGKRZSA-N	0	0	321.160	2.225	10	5		DEBERN
COCCCOC1CN(c2ccc(C(C)=O)cc2[N+](=O)[O-])C1	ZINC000128737584	635089023	/nfs/dbraw/zinc/08/90/23/635089023.db2.gz	HGUPUIFGJPCPIV-UHFFFAOYSA-N	0	0	308.334	2.039	10	5		DEBERN
O=[N+]([O-])c1ccc(NNC(=S)NCCc2cccnc2)cc1	ZINC000727691243	638243936	/nfs/dbraw/zinc/24/39/36/638243936.db2.gz	YROANCMWFFGUNU-UHFFFAOYSA-N	0	0	317.374	2.024	10	5		DEBERN
CCOc1ccc(C(=O)OC/C=C(\C)C(=O)OC)cc1[N+](=O)[O-]	ZINC000748165453	638520039	/nfs/dbraw/zinc/52/00/39/638520039.db2.gz	JCZXBRKCTMXREJ-JXMROGBWSA-N	0	0	323.301	2.270	10	5		DEBERN
CCNc1ccc(C(=O)OC/C=C(\C)C(=O)OC)cc1[N+](=O)[O-]	ZINC000748164771	638520245	/nfs/dbraw/zinc/52/02/45/638520245.db2.gz	QBQYMUCMQVOEJI-JXMROGBWSA-N	0	0	322.317	2.303	10	5		DEBERN
C/C(=C\C(=O)NCCc1ncc[nH]1)c1ccc([N+](=O)[O-])cc1	ZINC000752239290	639166075	/nfs/dbraw/zinc/16/60/75/639166075.db2.gz	GVXQKEOVZWCXNL-ZHACJKMWSA-N	0	0	300.318	2.080	10	5		DEBERN
C/C(=C/C(=O)O[C@H]1CCCN(C)C1=O)c1ccc([N+](=O)[O-])cc1	ZINC000752348773	639174444	/nfs/dbraw/zinc/17/44/44/639174444.db2.gz	GUJNBLZBXWHCIQ-BMSUMIBZSA-N	0	0	318.329	2.162	10	5		DEBERN
C/C(=C/C(=O)O[C@@H]1CCCN(C)C1=O)c1ccc([N+](=O)[O-])cc1	ZINC000752348776	639174862	/nfs/dbraw/zinc/17/48/62/639174862.db2.gz	GUJNBLZBXWHCIQ-IWMPZKFUSA-N	0	0	318.329	2.162	10	5		DEBERN
CCOC(=O)[C@@H](CC1CC1)NC(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000752385752	639178648	/nfs/dbraw/zinc/17/86/48/639178648.db2.gz	DXGFEHWNJCHMON-CYBMUJFWSA-N	0	0	320.345	2.365	10	5		DEBERN
COc1ccc(CN2CCO[C@H](C(F)F)C2)cc1[N+](=O)[O-]	ZINC000801562673	645416221	/nfs/dbraw/zinc/41/62/21/645416221.db2.gz	CDFNTQWKKWULIH-LBPRGKRZSA-N	0	0	302.277	2.069	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](C(F)F)C1	ZINC000801605898	645423105	/nfs/dbraw/zinc/42/31/05/645423105.db2.gz	GMUJFDJWWOHIPZ-LLVKDONJSA-N	0	0	315.276	2.401	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OC[C@]1(C)CNC(=O)C1	ZINC000802202641	645499078	/nfs/dbraw/zinc/49/90/78/645499078.db2.gz	SADFRDSHSKFAEU-BPLPYTOXSA-N	0	0	318.329	2.068	10	5		DEBERN
COC(=O)c1cc(C)nc(NC2CCC(C)(O)CC2)c1[N+](=O)[O-]	ZINC000804535638	645787198	/nfs/dbraw/zinc/78/71/98/645787198.db2.gz	MLQRBNZAJIWUOH-UHFFFAOYSA-N	0	0	323.349	2.190	10	5		DEBERN
C[C@H](OC[C@@H]1CCCO1)C(=O)OCCc1ccccc1[N+](=O)[O-]	ZINC000151257982	646321431	/nfs/dbraw/zinc/32/14/31/646321431.db2.gz	LOJFDARKUVPITC-JSGCOSHPSA-N	0	0	323.345	2.265	10	5		DEBERN
CCO[C@H]1C[C@H](N(C)Cn2nccc2[N+](=O)[O-])C12CCCC2	ZINC000156505674	646430004	/nfs/dbraw/zinc/43/00/04/646430004.db2.gz	COOBRWJVOUQINJ-STQMWFEESA-N	0	0	308.382	2.418	10	5		DEBERN
CCCOC(=O)CCNC(=O)c1ccc(OCC)c([N+](=O)[O-])c1	ZINC000730238087	646852692	/nfs/dbraw/zinc/85/26/92/646852692.db2.gz	OUZKVYNSNYCSJR-UHFFFAOYSA-N	0	0	324.333	2.067	10	5		DEBERN
COC(=O)c1ccc([N+](=O)[O-])c(OCC2(O)CCCCC2)c1	ZINC000153769071	647816976	/nfs/dbraw/zinc/81/69/76/647816976.db2.gz	HZBGUSFTQBLROO-UHFFFAOYSA-N	0	0	309.318	2.455	10	5		DEBERN
Cc1cc(S(=O)(=O)Oc2cccnc2[N+](=O)[O-])c(C)s1	ZINC000032549392	683878144	/nfs/dbraw/zinc/87/81/44/683878144.db2.gz	FTJCPMVULYHNSZ-UHFFFAOYSA-N	0	0	314.344	2.436	10	5		DEBERN
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1C[C@H]1C	ZINC000211095225	685103211	/nfs/dbraw/zinc/10/32/11/685103211.db2.gz	JBJIMBWGJVJSKG-HZGVNTEJSA-N	0	0	304.755	2.243	10	5		DEBERN
Cc1cccc(NCC(C)(C)CS(C)(=O)=O)c1[N+](=O)[O-]	ZINC000723852629	777188526	/nfs/dbraw/zinc/18/85/26/777188526.db2.gz	YEJYHWQBFXJYDJ-UHFFFAOYSA-N	0	0	300.380	2.386	10	5		DEBERN
CC(C)(CNc1ccc(F)cc1[N+](=O)[O-])CS(C)(=O)=O	ZINC000723878695	777197821	/nfs/dbraw/zinc/19/78/21/777197821.db2.gz	FQXBBTWJEIMIBG-UHFFFAOYSA-N	0	0	304.343	2.217	10	5		DEBERN
CC(=O)NC[C@H](C)OC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1	ZINC000588447972	777210354	/nfs/dbraw/zinc/21/03/54/777210354.db2.gz	OOZBCNWOWOBVDS-IEHMKBBKSA-N	0	0	306.318	2.066	10	5		DEBERN
COc1ccc(OC(=O)/C=C\c2ccncn2)cc1[N+](=O)[O-]	ZINC000588587392	777530810	/nfs/dbraw/zinc/53/08/10/777530810.db2.gz	FQGWPVAOEBOIOB-DJWKRKHSSA-N	0	0	301.258	2.012	10	5		DEBERN
CS(=O)(=O)[C@H]1C[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1	ZINC000714247963	792304366	/nfs/dbraw/zinc/30/43/66/792304366.db2.gz	TXGFBXATBLGQLN-KYZUINATSA-N	0	0	304.755	2.236	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCCC2(C1)OCCO2	ZINC000715643437	792503896	/nfs/dbraw/zinc/50/38/96/792503896.db2.gz	SHTFGWJWBIOTIO-GFCCVEGCSA-N	0	0	320.345	2.319	10	5		DEBERN
O=C(N[C@H]1CC12CC2)c1cc([N+](=O)[O-])ncc1Br	ZINC000715682664	792506325	/nfs/dbraw/zinc/50/63/25/792506325.db2.gz	OPCQFJGTYVUJRC-QMMMGPOBSA-N	0	0	312.123	2.035	10	5		DEBERN
Cn1c(C(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)ccc1[N+](=O)[O-]	ZINC000800084985	799308336	/nfs/dbraw/zinc/30/83/36/799308336.db2.gz	GMWCWQDNZDHBJR-GFCCVEGCSA-N	0	0	319.748	2.484	10	5		DEBERN
CO[C@@]1(CO)CCCN(c2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000401942517	801858881	/nfs/dbraw/zinc/85/88/81/801858881.db2.gz	PIOVSDYDZNPPRT-ZDUSSCGKSA-N	0	0	300.742	2.226	10	5		DEBERN
Cc1cc(S(=O)(=O)NCC[C@@H](C)F)cc([N+](=O)[O-])c1F	ZINC000705764577	1086624066	/nfs/dbraw/zinc/62/40/66/1086624066.db2.gz	MAUAXHXTXFIRRB-MRVPVSSYSA-N	0	0	308.306	2.069	10	5		DEBERN
C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ncc2Br)[C@H]1C	ZINC000706931749	1086656345	/nfs/dbraw/zinc/65/63/45/1086656345.db2.gz	XLHUEDBVPZLNSE-RQJHMYQMSA-N	0	0	314.139	2.233	10	5		DEBERN
O=[N+]([O-])c1cnc(N[C@@H]2CCCN3CCSC[C@@H]23)s1	ZINC000720410863	1089732951	/nfs/dbraw/zinc/73/29/51/1089732951.db2.gz	LARIFVCUOLZWKV-BDAKNGLRSA-N	0	0	300.409	2.043	10	5		DEBERN
C[C@@H]1CC[C@@H](C)N(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1	ZINC000076727749	185035990	/nfs/dbraw/zinc/03/59/90/185035990.db2.gz	HFQAARMLIDVUNE-GHMZBOCLSA-N	0	0	305.334	2.180	10	5		DEBERN
Cc1c(NC(=O)C(=O)N2C[C@@H](C)CC[C@H]2C)cccc1[N+](=O)[O-]	ZINC000076728625	185036174	/nfs/dbraw/zinc/03/61/74/185036174.db2.gz	GEGMJXGRQVXYQC-WDEREUQCSA-N	0	0	319.361	2.489	10	5		DEBERN
CC1(C)CN(c2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@@H](CO)O1	ZINC000163686833	197645333	/nfs/dbraw/zinc/64/53/33/197645333.db2.gz	CLGMPAQCSNZXNM-QMMMGPOBSA-N	0	0	318.732	2.363	10	5		DEBERN
COC(=O)[C@@H](C)Nc1ncc([N+](=O)[O-])c(C)c1Br	ZINC000165720169	197679952	/nfs/dbraw/zinc/67/99/52/197679952.db2.gz	WFEGSRDQTFOEGJ-ZCFIWIBFSA-N	0	0	318.127	2.034	10	5		DEBERN
CC[C@@H]1CO[C@@H](C)CN1C(=O)c1ccnc(Cl)c1[N+](=O)[O-]	ZINC000088802852	185266259	/nfs/dbraw/zinc/26/62/59/185266259.db2.gz	NMVGBFKSIWGFOY-DTWKUNHWSA-N	0	0	313.741	2.283	10	5		DEBERN
COC(=O)C[C@H](C)SCc1nc2ccccn2c1[N+](=O)[O-]	ZINC000090099666	185281884	/nfs/dbraw/zinc/28/18/84/185281884.db2.gz	SWXCIXSAELYXBI-VIFPVBQESA-N	0	0	309.347	2.427	10	5		DEBERN
COC(=O)C[C@H](C)[S@@](=O)Cc1ccc([N+](=O)[O-])cc1Cl	ZINC000090101495	185282100	/nfs/dbraw/zinc/28/21/00/185282100.db2.gz	HFEGOFJCDOCWFM-FFVOIRBGSA-N	0	0	319.766	2.449	10	5		DEBERN
COCc1cncc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1	ZINC000613184546	362031265	/nfs/dbraw/zinc/03/12/65/362031265.db2.gz	QEDOHDQTKWDHDB-UHFFFAOYSA-N	0	0	313.313	2.339	10	5		DEBERN
COC(=O)C1(CNC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1	ZINC000187891267	282293427	/nfs/dbraw/zinc/29/34/27/282293427.db2.gz	XZAHSQGXRFPMFZ-PKNBQFBNSA-N	0	0	318.329	2.068	10	5		DEBERN
CNc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1	ZINC000050638535	190680347	/nfs/dbraw/zinc/68/03/47/190680347.db2.gz	GFHCRCGTMLKUOY-SNVBAGLBSA-N	0	0	313.379	2.057	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@@H]1CCCO1	ZINC000069024174	190794346	/nfs/dbraw/zinc/79/43/46/190794346.db2.gz	MVPFFWVMEZUUIV-NSHDSACASA-N	0	0	309.322	2.246	10	5		DEBERN
O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1C[C@@H]2CC[C@H](O)[C@H]2C1	ZINC000252853514	282595752	/nfs/dbraw/zinc/59/57/52/282595752.db2.gz	GQMRFXUNHXLTST-HJIKLVIJSA-N	0	0	310.737	2.091	10	5		DEBERN
COc1cc(C(=O)N2CCOCC3(CC3)C2)cc([N+](=O)[O-])c1C	ZINC000616432927	362855094	/nfs/dbraw/zinc/85/50/94/362855094.db2.gz	AZAPIHAGXLIMLY-UHFFFAOYSA-N	0	0	320.345	2.164	10	5		DEBERN
CCC(C)(C)N(C)S(=O)(=O)c1cccc(NC)c1[N+](=O)[O-]	ZINC000127010519	185912487	/nfs/dbraw/zinc/91/24/87/185912487.db2.gz	WLVCNXKSLNEEAH-UHFFFAOYSA-N	0	0	315.395	2.446	10	5		DEBERN
C[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@@H](C)N1C	ZINC000141964946	186031562	/nfs/dbraw/zinc/03/15/62/186031562.db2.gz	CFSLMHOMAWHDHW-NXEZZACHSA-N	0	0	311.769	2.413	10	5		DEBERN
Cc1sc(C(=O)N[C@H](C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-]	ZINC000152548741	186083886	/nfs/dbraw/zinc/08/38/86/186083886.db2.gz	KQQBLPURTHFTMZ-SSDOTTSWSA-N	0	0	314.363	2.425	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](CCC(N)=O)C1	ZINC000171438783	186160480	/nfs/dbraw/zinc/16/04/80/186160480.db2.gz	NYSUEMKSEVRUSK-GFCCVEGCSA-N	0	0	319.361	2.021	10	5		DEBERN
CC(C)(NC(=O)NCC1(C)COC1)c1ccc([N+](=O)[O-])cc1	ZINC000175533404	198487521	/nfs/dbraw/zinc/48/75/21/198487521.db2.gz	DHOQJMSXWWGMIA-UHFFFAOYSA-N	0	0	307.350	2.166	10	5		DEBERN
CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@](O)(C(F)(F)F)C1	ZINC000287395084	219498651	/nfs/dbraw/zinc/49/86/51/219498651.db2.gz	RXRBJUBCNOFCQK-GFCCVEGCSA-N	0	0	318.251	2.301	10	5		DEBERN
COc1cc(N2CCC[C@@H](NC(=O)C(C)C)C2)ccc1[N+](=O)[O-]	ZINC000080975534	355398566	/nfs/dbraw/zinc/39/85/66/355398566.db2.gz	OEOFBVLAUUZNOZ-GFCCVEGCSA-N	0	0	321.377	2.344	10	5		DEBERN
CNS(=O)(=O)c1ccc(N[C@@H](C)C(C)(C)C)c([N+](=O)[O-])c1	ZINC000085705378	355495701	/nfs/dbraw/zinc/49/57/01/355495701.db2.gz	ZGLXSPMAPAMXJV-VIFPVBQESA-N	0	0	315.395	2.349	10	5		DEBERN
CCOC(=O)CCCOc1ccc(NC(C)=O)c([N+](=O)[O-])c1	ZINC000165753200	355975324	/nfs/dbraw/zinc/97/53/24/355975324.db2.gz	QPCYRKXPZSCQAG-UHFFFAOYSA-N	0	0	310.306	2.275	10	5		DEBERN
CN(C)c1ncccc1N(C)C(=O)c1ccccc1[N+](=O)[O-]	ZINC000079721806	191965658	/nfs/dbraw/zinc/96/56/58/191965658.db2.gz	LZTPLDYFJNQYAR-UHFFFAOYSA-N	0	0	300.318	2.332	10	5		DEBERN
CC[C@@H](CSC)NS(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000181616056	356087841	/nfs/dbraw/zinc/08/78/41/356087841.db2.gz	QHNSWEKSINGQBA-ZETCQYMHSA-N	0	0	310.422	2.076	10	5		DEBERN
CC(C)(NC(=O)N[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1	ZINC000080120724	192002659	/nfs/dbraw/zinc/00/26/59/192002659.db2.gz	KGSZFMQYLXLCDE-GFCCVEGCSA-N	0	0	307.350	2.308	10	5		DEBERN
COCCOC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1	ZINC000183376176	356169738	/nfs/dbraw/zinc/16/97/38/356169738.db2.gz	OAGXWUQAESUYGF-AWEZNQCLSA-N	0	0	308.378	2.388	10	5		DEBERN
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ncc([N+](=O)[O-])s1	ZINC000005715133	181276459	/nfs/dbraw/zinc/27/64/59/181276459.db2.gz	OUKHVHGUURTUQS-UHFFFAOYSA-N	0	0	308.275	2.141	10	5		DEBERN
CCOC(=O)CCCNC(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000081546589	192288245	/nfs/dbraw/zinc/28/82/45/192288245.db2.gz	UYMZWRADWWZMDE-UHFFFAOYSA-N	0	0	314.725	2.321	10	5		DEBERN
CCOCC(=O)Nc1ccc([N+](=O)[O-])cc1Br	ZINC000081565205	192293132	/nfs/dbraw/zinc/29/31/32/192293132.db2.gz	CNVIRAMVDCMSLN-UHFFFAOYSA-N	0	0	303.112	2.332	10	5		DEBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccc(C(F)F)cc1	ZINC000184615076	199741887	/nfs/dbraw/zinc/74/18/87/199741887.db2.gz	BVNXKATZWYQQIR-UHFFFAOYSA-N	0	0	324.287	2.354	10	5		DEBERN
CCc1nn(C)c(N2CC[C@@H](C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-]	ZINC000179603901	199061900	/nfs/dbraw/zinc/06/19/00/199061900.db2.gz	RJYFKYOZUZQGEF-SNVBAGLBSA-N	0	0	324.381	2.059	10	5		DEBERN
Cc1ccc(CN(C)C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)o1	ZINC000179942604	199096965	/nfs/dbraw/zinc/09/69/65/199096965.db2.gz	GQIIZULMCVQEFV-UHFFFAOYSA-N	0	0	318.285	2.497	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)OCC1CC1	ZINC000185748325	199884578	/nfs/dbraw/zinc/88/45/78/199884578.db2.gz	RACJOGZMCOCGBK-FLIBITNWSA-N	0	0	318.329	2.068	10	5		DEBERN
CC1(C)CC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)O1	ZINC000187342444	200097964	/nfs/dbraw/zinc/09/79/64/200097964.db2.gz	IEDTWYGOXNBOJJ-VIFPVBQESA-N	0	0	311.313	2.004	10	5		DEBERN
COC(=O)[C@@]1(C)CCCN1C(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000187633875	200137467	/nfs/dbraw/zinc/13/74/67/200137467.db2.gz	USZPHNSIGSJVFE-CYBMUJFWSA-N	0	0	312.347	2.132	10	5		DEBERN
C[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)c1ccncc1	ZINC000610526722	361417125	/nfs/dbraw/zinc/41/71/25/361417125.db2.gz	UACYYOLXEGRAHC-GFCCVEGCSA-N	0	0	315.329	2.289	10	5		DEBERN
O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCOCC2(CC2)C1	ZINC000611814893	361688607	/nfs/dbraw/zinc/68/86/07/361688607.db2.gz	FVAXPXPHELYLDX-UHFFFAOYSA-N	0	0	322.386	2.326	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ncn(C)n1	ZINC000275382170	212300766	/nfs/dbraw/zinc/30/07/66/212300766.db2.gz	AGXFKVVPRHPKDJ-UQSGXBNBSA-N	0	0	315.333	2.004	10	5		DEBERN
O=C(CCNc1cc(F)c(Cl)cc1[N+](=O)[O-])NC1CC1	ZINC000092996573	193191962	/nfs/dbraw/zinc/19/19/62/193191962.db2.gz	CKMARJFKSRSDGS-UHFFFAOYSA-N	0	0	301.705	2.468	10	5		DEBERN
CC(C)(CNCc1ccc([N+](=O)[O-])cc1Cl)S(C)(=O)=O	ZINC000093519799	193262909	/nfs/dbraw/zinc/26/29/09/193262909.db2.gz	DROPXIHYRFKNFR-UHFFFAOYSA-N	0	0	320.798	2.161	10	5		DEBERN
C[NH2+][C@]1(C(=O)[O-])CC[C@H](Oc2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000093834455	193314782	/nfs/dbraw/zinc/31/47/82/193314782.db2.gz	OOKVTIFRVFZICF-TVQRCGJNSA-N	0	0	314.725	2.222	10	5		DEBERN
C[C@](N)(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(F)(F)F	ZINC000094233199	193352945	/nfs/dbraw/zinc/35/29/45/193352945.db2.gz	PSGCTPKJMIOLSD-VIFPVBQESA-N	0	0	311.647	2.466	10	5		DEBERN
CCCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(NC)cc1C	ZINC000094780360	193397714	/nfs/dbraw/zinc/39/77/14/193397714.db2.gz	MVPJWEUZYYNCCE-UHFFFAOYSA-N	0	0	315.395	2.366	10	5		DEBERN
CC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1C)C(C)C	ZINC000094780586	193397786	/nfs/dbraw/zinc/39/77/86/193397786.db2.gz	LBYHQTOCDSPSDK-LLVKDONJSA-N	0	0	315.395	2.198	10	5		DEBERN
CCCCN1C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1=O	ZINC000008270604	181542191	/nfs/dbraw/zinc/54/21/91/181542191.db2.gz	YTFCTPGITKNWOS-LBPRGKRZSA-N	0	0	319.361	2.490	10	5		DEBERN
CC(C)(C)NC(=S)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	ZINC000009229595	181608092	/nfs/dbraw/zinc/60/80/92/181608092.db2.gz	UFPHLKMXSWHRDI-RMKNXTFCSA-N	0	0	307.375	2.397	10	5		DEBERN
COC(=O)CCCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C	ZINC000154617797	291591059	/nfs/dbraw/zinc/59/10/59/291591059.db2.gz	QFFFCVVDILAIQM-SNVBAGLBSA-N	0	0	306.318	2.216	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])s1)N1CCCC[C@H]1c1nc[nH]n1	ZINC000181382554	296227682	/nfs/dbraw/zinc/22/76/82/296227682.db2.gz	XKAAXWRXDWBCTK-QMMMGPOBSA-N	0	0	307.335	2.142	10	5		DEBERN
COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](C)[C@H](OC)C2)c1	ZINC000302532141	284572810	/nfs/dbraw/zinc/57/28/10/284572810.db2.gz	FPDYCZZMUVNTOU-IINYFYTJSA-N	0	0	308.334	2.243	10	5		DEBERN
C[C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])C1CCOCC1	ZINC000160169884	291662966	/nfs/dbraw/zinc/66/29/66/291662966.db2.gz	ACTYYWOQCYESRC-LBPRGKRZSA-N	0	0	321.377	2.186	10	5		DEBERN
COCCOCCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000040419091	183064741	/nfs/dbraw/zinc/06/47/41/183064741.db2.gz	ANLCEHDCCAGHDX-UHFFFAOYSA-N	0	0	316.741	2.031	10	5		DEBERN
O=c1[nH]cnc(Nc2ccccc2C(F)(F)F)c1[N+](=O)[O-]	ZINC000040588874	183105841	/nfs/dbraw/zinc/10/58/41/183105841.db2.gz	YOMOGFUQHWBGCI-UHFFFAOYSA-N	0	0	300.196	2.441	10	5		DEBERN
COCCCNc1ncnc(N2CCCCCC2)c1[N+](=O)[O-]	ZINC000040610017	183109125	/nfs/dbraw/zinc/10/91/25/183109125.db2.gz	XYGVQGPFTCUKSO-UHFFFAOYSA-N	0	0	309.370	2.214	10	5		DEBERN
C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1	ZINC000040724413	183124758	/nfs/dbraw/zinc/12/47/58/183124758.db2.gz	OFMWSHBMHGJOGV-MRVPVSSYSA-N	0	0	304.755	2.279	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1C[S@](=O)c1ccccc1N	ZINC000042194275	183240585	/nfs/dbraw/zinc/24/05/85/183240585.db2.gz	JHOPFSZHRBYNGD-OAQYLSRUSA-N	0	0	306.343	2.493	10	5		DEBERN
CC1(C)C[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000045136334	183483557	/nfs/dbraw/zinc/48/35/57/183483557.db2.gz	ITMCDFSMOAKYGK-SNVBAGLBSA-N	0	0	304.755	2.325	10	5		DEBERN
CN1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1=O	ZINC000159440866	197354384	/nfs/dbraw/zinc/35/43/84/197354384.db2.gz	GVERIFIODWTWDY-UHFFFAOYSA-N	0	0	314.139	2.225	10	5		DEBERN
Cc1cnn(C[C@@H]2CN(Cc3cccc([N+](=O)[O-])c3)CCO2)c1	ZINC000105891552	194159220	/nfs/dbraw/zinc/15/92/20/194159220.db2.gz	PCIBBKVNBJZPSB-INIZCTEOSA-N	0	0	316.361	2.001	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1N1CCO[C@](C)(c2cnn(C)c2)C1	ZINC000268429025	206705607	/nfs/dbraw/zinc/70/56/07/206705607.db2.gz	ZRWPPKZMLQDVCB-INIZCTEOSA-N	0	0	316.361	2.389	10	5		DEBERN
CC[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1NC	ZINC000050630653	183791021	/nfs/dbraw/zinc/79/10/21/183791021.db2.gz	VFAYUSAHIACIJQ-JTQLQIEISA-N	0	0	313.379	2.200	10	5		DEBERN
CCCCN(C)S(=O)(=O)c1ccc(NC)cc1[N+](=O)[O-]	ZINC000050632101	183791815	/nfs/dbraw/zinc/79/18/15/183791815.db2.gz	NCYNBSRYXNSFCX-UHFFFAOYSA-N	0	0	301.368	2.057	10	5		DEBERN
CCCN(CC)S(=O)(=O)c1c(F)cc([N+](=O)[O-])cc1NC	ZINC000050651637	183794818	/nfs/dbraw/zinc/79/48/18/183794818.db2.gz	GMUQREKQQOHAJE-UHFFFAOYSA-N	0	0	319.358	2.196	10	5		DEBERN
CC[C@@H](C)[C@H](C)NS(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F	ZINC000050671263	183797289	/nfs/dbraw/zinc/79/72/89/183797289.db2.gz	LHJVAUGXPXAKMM-SFYZADRCSA-N	0	0	319.358	2.029	10	5		DEBERN
NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1CCc2ccccc21	ZINC000110595986	194340907	/nfs/dbraw/zinc/34/09/07/194340907.db2.gz	HUPXRPIMBMSZFC-LLVKDONJSA-N	0	0	312.329	2.231	10	5		DEBERN
C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(NN)c1)c1cccs1	ZINC000054415933	183939050	/nfs/dbraw/zinc/93/90/50/183939050.db2.gz	JIPMDHDCIWHHRL-QMMMGPOBSA-N	0	0	306.347	2.433	10	5		DEBERN
CCC[NH2+][C@H](CCOc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000062539618	184241733	/nfs/dbraw/zinc/24/17/33/184241733.db2.gz	FPSGACRKSCCSFI-LLVKDONJSA-N	0	0	316.741	2.470	10	5		DEBERN
CNc1ccc([N+](=O)[O-])c(C(=O)NCCc2nccs2)c1	ZINC000063141375	184273280	/nfs/dbraw/zinc/27/32/80/184273280.db2.gz	OAGUPELIKBLEAT-UHFFFAOYSA-N	0	0	306.347	2.066	10	5		DEBERN
CC(C)[NH2+][C@@H](CCOc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-]	ZINC000069508144	184520964	/nfs/dbraw/zinc/52/09/64/184520964.db2.gz	ZLOGTTQBPXXNFD-NSHDSACASA-N	0	0	316.741	2.468	10	5		DEBERN
CC(C)[NH2+][C@H](CCOc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-]	ZINC000069508147	184520975	/nfs/dbraw/zinc/52/09/75/184520975.db2.gz	ZLOGTTQBPXXNFD-LLVKDONJSA-N	0	0	316.741	2.468	10	5		DEBERN
O=[N+]([O-])c1cc(Br)cnc1N1C[C@H]2CC[C@@H](C1)O2	ZINC000090909168	285083725	/nfs/dbraw/zinc/08/37/25/285083725.db2.gz	SSWDJGOTMHOJJX-DTORHVGOSA-N	0	0	314.139	2.120	10	5		DEBERN
CC(=O)C1(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1	ZINC000557105408	291858351	/nfs/dbraw/zinc/85/83/51/291858351.db2.gz	ZBYOJBFOGNMAAG-UHFFFAOYSA-N	0	0	315.329	2.104	10	5		DEBERN
Cc1cc([N+](=O)[O-])c(Cl)cc1NCCCS(C)(=O)=O	ZINC000159202751	197335950	/nfs/dbraw/zinc/33/59/50/197335950.db2.gz	BSUNASQRNBCKGC-UHFFFAOYSA-N	0	0	306.771	2.403	10	5		DEBERN
O=[N+]([O-])c1ccc(-c2nccn2C[C@H](O)C(F)(F)F)cc1	ZINC000158153565	197248849	/nfs/dbraw/zinc/24/88/49/197248849.db2.gz	HCKSKBYDQUHJST-JTQLQIEISA-N	0	0	301.224	2.382	10	5		DEBERN
CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1nnc(Cl)s1	ZINC000157231107	197171811	/nfs/dbraw/zinc/17/18/11/197171811.db2.gz	OKLUUIORNADBTL-UHFFFAOYSA-N	0	0	312.738	2.372	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@](O)(C(F)(F)F)C1	ZINC000157035489	197156915	/nfs/dbraw/zinc/15/69/15/197156915.db2.gz	DKWLHYLHJGWKSC-LBPRGKRZSA-N	0	0	318.251	2.043	10	5		DEBERN
COc1cnccc1[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N	ZINC000189695781	533139500	/nfs/dbraw/zinc/13/95/00/533139500.db2.gz	KANJMNPLIRMRID-SECBINFHSA-N	0	0	316.317	2.072	10	5		DEBERN
CC[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C1	ZINC000156585033	197125997	/nfs/dbraw/zinc/12/59/97/197125997.db2.gz	YDROLQVDHWUKEU-SNVBAGLBSA-N	0	0	314.363	2.024	10	5		DEBERN
CNc1ccc(S(=O)(=O)N[C@H](C)C(C)(C)C)cc1[N+](=O)[O-]	ZINC000123475184	195586209	/nfs/dbraw/zinc/58/62/09/195586209.db2.gz	ZIMJSDFOPAKJED-SECBINFHSA-N	0	0	315.395	2.349	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnc(N(C)C)nc1	ZINC000126044888	195804818	/nfs/dbraw/zinc/80/48/18/195804818.db2.gz	NHDIUIWOKQOXQK-UHFFFAOYSA-N	0	0	301.306	2.012	10	5		DEBERN
CC(=O)c1ccc(Cl)c(NC(=O)c2nn(C)cc2[N+](=O)[O-])c1	ZINC000355668366	133041161	/nfs/dbraw/zinc/04/11/61/133041161.db2.gz	GBHVMWLESKMDIA-UHFFFAOYSA-N	0	0	322.708	2.437	10	5		DEBERN
C[C@@H](C(=O)N1CCSC[C@H]1CCO)c1cccc([N+](=O)[O-])c1	ZINC000564723442	292107162	/nfs/dbraw/zinc/10/71/62/292107162.db2.gz	UJOZHRYVRVBYFJ-BXUZGUMPSA-N	0	0	324.402	2.025	10	5		DEBERN
O=C(NC[C@H]1C[C@@H]1c1ccccc1)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000188468263	145012715	/nfs/dbraw/zinc/01/27/15/145012715.db2.gz	DPKOCTGDBSPKBB-DGCLKSJQSA-N	0	0	313.313	2.229	10	5		DEBERN
Cc1cc(N2CCN(Cc3ccc(C)c([N+](=O)[O-])c3)CC2)n[nH]1	ZINC000189018557	145021121	/nfs/dbraw/zinc/02/11/21/145021121.db2.gz	SPWXTWVTGLNUNC-UHFFFAOYSA-N	0	0	315.377	2.257	10	5		DEBERN
COc1cnccc1[C@@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000189674795	145032025	/nfs/dbraw/zinc/03/20/25/145032025.db2.gz	OAFLXUBAWXYREU-LLVKDONJSA-N	0	0	315.329	2.418	10	5		DEBERN
CCN1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O	ZINC000191837496	145065633	/nfs/dbraw/zinc/06/56/33/145065633.db2.gz	HLNUVKOJHSIGLT-UHFFFAOYSA-N	0	0	315.329	2.476	10	5		DEBERN
CCOc1ccc(C(=O)N(C)c2ccn(C)n2)cc1[N+](=O)[O-]	ZINC000358455958	147137256	/nfs/dbraw/zinc/13/72/56/147137256.db2.gz	FATAEDZLEGNQSX-UHFFFAOYSA-N	0	0	304.306	2.004	10	5		DEBERN
O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[C@H]2C2CC2)c1	ZINC000372131627	148173375	/nfs/dbraw/zinc/17/33/75/148173375.db2.gz	IHYLXLCUMINKFR-AWEZNQCLSA-N	0	0	310.375	2.299	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[S@](=O)C(C)(C)C	ZINC000112301575	401737361	/nfs/dbraw/zinc/73/73/61/401737361.db2.gz	ZPNKHKAWMBRPPT-OAQYLSRUSA-N	0	0	312.391	2.180	10	5		DEBERN
O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2ccsc2)c1	ZINC000013725263	401803967	/nfs/dbraw/zinc/80/39/67/401803967.db2.gz	TXPGRFXEFBSDNN-UHFFFAOYSA-N	0	0	312.372	2.177	10	5		DEBERN
Cc1nn(C)c(C(=O)N2CCC[C@@H]2c2ccco2)c1[N+](=O)[O-]	ZINC000116039220	401840687	/nfs/dbraw/zinc/84/06/87/401840687.db2.gz	QLVGLZIZCMSFJY-SNVBAGLBSA-N	0	0	304.306	2.207	10	5		DEBERN
Cc1cc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)ccc1[N+](=O)[O-]	ZINC000116118090	401842463	/nfs/dbraw/zinc/84/24/63/401842463.db2.gz	DJFLPZBJMZADBG-ZDUSSCGKSA-N	0	0	314.345	2.266	10	5		DEBERN
CCCn1c(=O)[nH]nc1SCc1ccc(OC)c([N+](=O)[O-])c1	ZINC000042151828	401931858	/nfs/dbraw/zinc/93/18/58/401931858.db2.gz	RNOGNTLMTLLQJH-UHFFFAOYSA-N	0	0	324.362	2.191	10	5		DEBERN
CCC(C)(C)[C@H]1CCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000133398593	401884881	/nfs/dbraw/zinc/88/48/81/401884881.db2.gz	RVADIIKFPMZBMI-CYBMUJFWSA-N	0	0	321.377	2.184	10	5		DEBERN
Cc1cnn(CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1	ZINC000117810471	401885240	/nfs/dbraw/zinc/88/52/40/401885240.db2.gz	VHWWLNNCEOLURC-UHFFFAOYSA-N	0	0	313.317	2.011	10	5		DEBERN
Cc1ccc([C@H](C)OC(=O)C2=NN(C)C(=O)CC2)cc1[N+](=O)[O-]	ZINC000084808968	401910417	/nfs/dbraw/zinc/91/04/17/401910417.db2.gz	UJGKVPOEIKRSHI-JTQLQIEISA-N	0	0	319.317	2.116	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCC(=O)OC(C)C	ZINC000120146379	401979836	/nfs/dbraw/zinc/97/98/36/401979836.db2.gz	FILAMUBZIFLMNT-UHFFFAOYSA-N	0	0	308.334	2.365	10	5		DEBERN
Cc1sc(C(=O)Nc2cc(C(N)=O)ccc2F)cc1[N+](=O)[O-]	ZINC000044629733	401946035	/nfs/dbraw/zinc/94/60/35/401946035.db2.gz	UHISEWJHAQGCQG-UHFFFAOYSA-N	0	0	323.305	2.455	10	5		DEBERN
COC(=O)[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000050606971	402028892	/nfs/dbraw/zinc/02/88/92/402028892.db2.gz	JOOLTTYKBWMZSL-ZDUSSCGKSA-N	0	0	306.318	2.071	10	5		DEBERN
O=[N+]([O-])c1cc(CN2CCN(CC(F)(F)F)CC2)cs1	ZINC000054173158	402063630	/nfs/dbraw/zinc/06/36/30/402063630.db2.gz	FUNWYTVBPKFASS-UHFFFAOYSA-N	0	0	309.313	2.336	10	5		DEBERN
Cc1cccnc1CNc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1	ZINC000124674285	402191023	/nfs/dbraw/zinc/19/10/23/402191023.db2.gz	WRADGYKRGFBXHS-UHFFFAOYSA-N	0	0	321.358	2.314	10	5		DEBERN
Cc1cnn(C[C@@H]2CN(c3ccc([N+](=O)[O-])cc3)CCO2)c1	ZINC000108950286	402264872	/nfs/dbraw/zinc/26/48/72/402264872.db2.gz	FAMNPKPRORYHLP-HNNXBMFYSA-N	0	0	302.334	2.005	10	5		DEBERN
C[C@@H]1CN(C)C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000155692824	402264913	/nfs/dbraw/zinc/26/49/13/402264913.db2.gz	ABWRREUIUOZWOU-AOOOYVTPSA-N	0	0	311.769	2.413	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@@H]1CCOC1	ZINC000184543661	402273245	/nfs/dbraw/zinc/27/32/45/402273245.db2.gz	XKPFYTGKIRWBHJ-TZIYXEQSSA-N	0	0	304.346	2.493	10	5		DEBERN
Cc1c(CC(=O)N(C)[C@H](CO)CC(C)C)cccc1[N+](=O)[O-]	ZINC000184598503	402281977	/nfs/dbraw/zinc/28/19/77/402281977.db2.gz	DJWKDCFOFQYFFR-AWEZNQCLSA-N	0	0	308.378	2.311	10	5		DEBERN
CSc1ccc(C(=O)NCC2(CCO)CC2)cc1[N+](=O)[O-]	ZINC000157576277	402296894	/nfs/dbraw/zinc/29/68/94/402296894.db2.gz	ICIVYXDCCFETNF-UHFFFAOYSA-N	0	0	310.375	2.209	10	5		DEBERN
Cc1c(F)cc(S(=O)(=O)N(C)C2CCC2)cc1[N+](=O)[O-]	ZINC000184945970	402311389	/nfs/dbraw/zinc/31/13/89/402311389.db2.gz	CVWGOKCBGVWKQI-UHFFFAOYSA-N	0	0	302.327	2.215	10	5		DEBERN
CCc1ccc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)cc1F	ZINC000158866301	402312883	/nfs/dbraw/zinc/31/28/83/402312883.db2.gz	ZIKQFXXIKUXMKA-UHFFFAOYSA-N	0	0	321.312	2.315	10	5		DEBERN
CC(C)n1nnnc1CSCCOc1ccc([N+](=O)[O-])cc1	ZINC000176915269	402349606	/nfs/dbraw/zinc/34/96/06/402349606.db2.gz	KJUPIEPNYHXWOJ-UHFFFAOYSA-N	0	0	323.378	2.474	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(N[C@H]2CCCN(c3ncccn3)C2)n1	ZINC000178176052	402468206	/nfs/dbraw/zinc/46/82/06/402468206.db2.gz	BSQBQVIZYKLDLN-LBPRGKRZSA-N	0	0	314.349	2.169	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(Cc2nc3ccccc3nc2C)c1=O	ZINC000178227532	402473751	/nfs/dbraw/zinc/47/37/51/402473751.db2.gz	RCBNULOPAZDODF-UHFFFAOYSA-N	0	0	310.313	2.365	10	5		DEBERN
CO[C@@H]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2C1	ZINC000245627685	402475220	/nfs/dbraw/zinc/47/52/20/402475220.db2.gz	CSGJZNNKQUMKQF-QLFBSQMISA-N	0	0	320.345	2.003	10	5		DEBERN
C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C[C@@H]1CCCO1	ZINC000170688461	402514591	/nfs/dbraw/zinc/51/45/91/402514591.db2.gz	JJOKNDUCRYIUGB-RISCZKNCSA-N	0	0	307.350	2.033	10	5		DEBERN
COC(=O)c1cncc(NC(=O)c2cc([N+](=O)[O-])ccc2C)c1	ZINC000178398413	402494233	/nfs/dbraw/zinc/49/42/33/402494233.db2.gz	FPQZCBWQPIIGIJ-UHFFFAOYSA-N	0	0	315.285	2.337	10	5		DEBERN
Cc1c([C@H](C)NCc2cc(C(N)=O)co2)cccc1[N+](=O)[O-]	ZINC000187710163	402509253	/nfs/dbraw/zinc/50/92/53/402509253.db2.gz	OZZZIVZCGRASKH-JTQLQIEISA-N	0	0	303.318	2.446	10	5		DEBERN
O=C(NCCCc1ccccn1)c1ccc(F)cc1[N+](=O)[O-]	ZINC000178622927	402518383	/nfs/dbraw/zinc/51/83/83/402518383.db2.gz	AIMCLEIVTNMLEI-UHFFFAOYSA-N	0	0	303.293	2.492	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cccc(O)c1	ZINC000170802830	402526813	/nfs/dbraw/zinc/52/68/13/402526813.db2.gz	ZZKNGZYSWXASPC-VIFPVBQESA-N	0	0	301.302	2.495	10	5		DEBERN
Cn1cc([C@@H]2CCCN2C(=O)c2cc(F)ccc2[N+](=O)[O-])cn1	ZINC000171347862	402579781	/nfs/dbraw/zinc/57/97/81/402579781.db2.gz	VSLUGWUDIXAWIJ-ZDUSSCGKSA-N	0	0	318.308	2.445	10	5		DEBERN
Cc1ccc2c(n1)OCCN2C(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000180445212	402616823	/nfs/dbraw/zinc/61/68/23/402616823.db2.gz	AQSPKHDVBSNLER-UHFFFAOYSA-N	0	0	313.313	2.266	10	5		DEBERN
Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCc2ccccc21	ZINC000180491676	402617837	/nfs/dbraw/zinc/61/78/37/402617837.db2.gz	UHVDCACHPHJASC-CQSZACIVSA-N	0	0	312.329	2.379	10	5		DEBERN
Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccccc1[N+](=O)[O-]	ZINC000173505722	402700406	/nfs/dbraw/zinc/70/04/06/402700406.db2.gz	KMFZPICYJJCFOI-SNVBAGLBSA-N	0	0	316.361	2.306	10	5		DEBERN
Cc1nn(C)c(C)c1CCNC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000192719894	402746215	/nfs/dbraw/zinc/74/62/15/402746215.db2.gz	YVQWIIQVILZAPF-UHFFFAOYSA-N	0	0	317.349	2.309	10	5		DEBERN
Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2CCCC[C@H]21	ZINC000183356603	402758999	/nfs/dbraw/zinc/75/89/99/402758999.db2.gz	WQIPIJRRWVEILO-ZWNOBZJWSA-N	0	0	304.350	2.367	10	5		DEBERN
CSc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc1	ZINC000194302490	402790884	/nfs/dbraw/zinc/79/08/84/402790884.db2.gz	ISTYKTPOLIMRSB-UHFFFAOYSA-N	0	0	319.342	2.347	10	5		DEBERN
CC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCC1	ZINC000175693148	402825320	/nfs/dbraw/zinc/82/53/20/402825320.db2.gz	XMYKLMMRGKBBNX-UHFFFAOYSA-N	0	0	302.327	2.202	10	5		DEBERN
CC[C@@H](C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)C(=O)OC	ZINC000195224219	402837552	/nfs/dbraw/zinc/83/75/52/402837552.db2.gz	GOCFJJVGRAFUMB-NOZJJQNGSA-N	0	0	308.334	2.221	10	5		DEBERN
COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1C	ZINC000184352288	402837596	/nfs/dbraw/zinc/83/75/96/402837596.db2.gz	UAMDWUDJNFDATQ-ZDUSSCGKSA-N	0	0	319.317	2.046	10	5		DEBERN
C/C(=C\c1cccc([N+](=O)[O-])c1)CN1C[C@@H]2COC[C@H](C1)O2	ZINC000338967748	403302147	/nfs/dbraw/zinc/30/21/47/403302147.db2.gz	ULRSFJPPEBUIPI-QNTPUYCNSA-N	0	0	304.346	2.098	10	5		DEBERN
COC[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC(C)(C)O1	ZINC000285101758	403278039	/nfs/dbraw/zinc/27/80/39/403278039.db2.gz	QPYPNNYRZCJWSK-SNVBAGLBSA-N	0	0	315.757	2.273	10	5		DEBERN
CNC(=O)c1ccc(N(C)Cc2nc(C)cs2)c([N+](=O)[O-])c1	ZINC000301301651	403613756	/nfs/dbraw/zinc/61/37/56/403613756.db2.gz	VIFWSWHONKBXRP-UHFFFAOYSA-N	0	0	320.374	2.356	10	5		DEBERN
O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3ncccc3F)C2)cn1	ZINC000567013545	292283266	/nfs/dbraw/zinc/28/32/66/292283266.db2.gz	OYHQFPISGKRCFM-LLVKDONJSA-N	0	0	303.297	2.215	10	5		DEBERN
COC(=O)c1cc(NC[C@](C)(O)c2ccco2)ccc1[N+](=O)[O-]	ZINC000301426677	403628221	/nfs/dbraw/zinc/62/82/21/403628221.db2.gz	PDEQKZDDWGZJPY-HNNXBMFYSA-N	0	0	320.301	2.294	10	5		DEBERN
Cc1ccc(N[C@H]2CC(=O)N(CC(F)(F)F)C2)c([N+](=O)[O-])c1	ZINC000301452689	403632070	/nfs/dbraw/zinc/63/20/70/403632070.db2.gz	APCNCASAALDGBG-VIFPVBQESA-N	0	0	317.267	2.478	10	5		DEBERN
CNC(=O)c1ccc(N[C@H]2CCC[C@H](OC)C2)c([N+](=O)[O-])c1	ZINC000301790257	403679687	/nfs/dbraw/zinc/67/96/87/403679687.db2.gz	QZQCCSSMEOAIGM-RYUDHWBXSA-N	0	0	307.350	2.324	10	5		DEBERN
Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](NC(=O)C(C)C)C1	ZINC000301588484	403651374	/nfs/dbraw/zinc/65/13/74/403651374.db2.gz	SDCVHUXVQHKPIT-LBPRGKRZSA-N	0	0	306.366	2.039	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCO[C@@]2(CCOC2)C1	ZINC000249046017	292296673	/nfs/dbraw/zinc/29/66/73/292296673.db2.gz	VVSYEKJCEIZHRF-BBRMVZONSA-N	0	0	306.362	2.456	10	5		DEBERN
O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCCC23CCC3)cc1	ZINC000365533361	404685025	/nfs/dbraw/zinc/68/50/25/404685025.db2.gz	LOIUYEIWCNLTNZ-UHFFFAOYSA-N	0	0	324.402	2.486	10	5		DEBERN
C/C=C/C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)OCC	ZINC000361532355	405118060	/nfs/dbraw/zinc/11/80/60/405118060.db2.gz	GCRIGFWEDIBGOB-KQIUPUNMSA-N	0	0	320.345	2.151	10	5		DEBERN
COc1cc(NC(=O)COc2cccc([N+](=O)[O-])c2)ccc1O	ZINC000438092355	405231051	/nfs/dbraw/zinc/23/10/51/405231051.db2.gz	JGANEBQKPVXKJO-UHFFFAOYSA-N	0	0	318.285	2.327	10	5		DEBERN
CCOc1ccc(C(=O)N2CC[C@](C)(COC)C2)cc1[N+](=O)[O-]	ZINC000452804930	405246353	/nfs/dbraw/zinc/24/63/53/405246353.db2.gz	ZZUYRKLOEGDUEV-INIZCTEOSA-N	0	0	322.361	2.492	10	5		DEBERN
CN(CCCO)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1	ZINC000440537175	405316066	/nfs/dbraw/zinc/31/60/66/405316066.db2.gz	GADYQNNYMMJKTE-UHFFFAOYSA-N	0	0	317.345	2.387	10	5		DEBERN
COCCn1cc2c(n1)[C@H](Nc1ccc([N+](=O)[O-])nc1)CCC2	ZINC000445597605	405353101	/nfs/dbraw/zinc/35/31/01/405353101.db2.gz	UVENGLHYRYDCJB-CYBMUJFWSA-N	0	0	317.349	2.322	10	5		DEBERN
O=[N+]([O-])c1ccc(N2CCC(OC[C@H]3CCOC3)CC2)cn1	ZINC000561775006	405948682	/nfs/dbraw/zinc/94/86/82/405948682.db2.gz	JYPBBUNBAMBVDY-LBPRGKRZSA-N	0	0	307.350	2.012	10	5		DEBERN
COc1ccc(NC(=O)N[C@H]2CC[C@@H](OC)C2)cc1[N+](=O)[O-]	ZINC000471948773	406131452	/nfs/dbraw/zinc/13/14/52/406131452.db2.gz	NBJOAEPMUWCWHQ-GXSJLCMTSA-N	0	0	309.322	2.292	10	5		DEBERN
COC(=O)Cc1cc(Br)c(OC)cc1[N+](=O)[O-]	ZINC000575713253	406822253	/nfs/dbraw/zinc/82/22/53/406822253.db2.gz	YKTGYTDZBIPPJE-UHFFFAOYSA-N	0	0	304.096	2.081	10	5		DEBERN
Nc1nc(Cl)nc(Oc2cc(Cl)ccc2[N+](=O)[O-])n1	ZINC000129807544	196077430	/nfs/dbraw/zinc/07/74/30/196077430.db2.gz	URTPXCOXCCOAAQ-UHFFFAOYSA-N	0	0	302.077	2.461	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cccs2)cc1F	ZINC000129856563	196080687	/nfs/dbraw/zinc/08/06/87/196080687.db2.gz	ZZWHLMXGQBVQDX-UHFFFAOYSA-N	0	0	316.335	2.274	10	5		DEBERN
Cc1csc(C2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)n1	ZINC000131101982	196140919	/nfs/dbraw/zinc/14/09/19/196140919.db2.gz	PVOQQSOYRHVRJA-UHFFFAOYSA-N	0	0	321.362	2.103	10	5		DEBERN
CN(CC1CCC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131216911	196150190	/nfs/dbraw/zinc/15/01/90/196150190.db2.gz	WDUHJKWAFOARSL-UHFFFAOYSA-N	0	0	302.327	2.155	10	5		DEBERN
CCCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(NCC)c1	ZINC000131562295	196179940	/nfs/dbraw/zinc/17/99/40/196179940.db2.gz	QSGPESVHMJHEMA-UHFFFAOYSA-N	0	0	301.368	2.105	10	5		DEBERN
Cc1c(Br)c(N[C@@H](C)[C@@H](C)CO)ncc1[N+](=O)[O-]	ZINC000131664506	196188873	/nfs/dbraw/zinc/18/88/73/196188873.db2.gz	CWABYOXUCYBUFW-XPUUQOCRSA-N	0	0	318.171	2.490	10	5		DEBERN
CCNc1cc(S(=O)(=O)N[C@@H](C)C(C)C)ccc1[N+](=O)[O-]	ZINC000131860665	196204960	/nfs/dbraw/zinc/20/49/60/196204960.db2.gz	PGTZEYIYVYXADT-JTQLQIEISA-N	0	0	315.395	2.349	10	5		DEBERN
CNc1cc(S(=O)(=O)N(C)[C@@H](C)C2CC2)ccc1[N+](=O)[O-]	ZINC000131969230	196214490	/nfs/dbraw/zinc/21/44/90/196214490.db2.gz	XMTLIFFLYVPMPR-VIFPVBQESA-N	0	0	313.379	2.056	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCc2nc(C3CC3)cs2)n1	ZINC000191854885	225117597	/nfs/dbraw/zinc/11/75/97/225117597.db2.gz	ABNRMSQJKUHXCQ-UHFFFAOYSA-N	0	0	321.362	2.075	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccccc1-n1ccnn1	ZINC000193278937	225156804	/nfs/dbraw/zinc/15/68/04/225156804.db2.gz	XISMSXIEAQFJIT-UHFFFAOYSA-N	0	0	324.300	2.131	10	5		DEBERN
CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1cscn1	ZINC000302658036	230333939	/nfs/dbraw/zinc/33/39/39/230333939.db2.gz	OMKGKLVPQAQDMN-UHFFFAOYSA-N	0	0	313.360	2.067	10	5		DEBERN
COC(=O)c1ccsc1NC(=O)c1cc([N+](=O)[O-])cnc1C	ZINC000194049360	424872685	/nfs/dbraw/zinc/87/26/85/424872685.db2.gz	VVLKFPQPFWLXQQ-UHFFFAOYSA-N	0	0	321.314	2.399	10	5		DEBERN
O=C(NCc1nccs1)c1c[nH]c2ccc([N+](=O)[O-])cc21	ZINC000195253067	424881493	/nfs/dbraw/zinc/88/14/93/424881493.db2.gz	ZTQFTZHJJQWLPQ-UHFFFAOYSA-N	0	0	302.315	2.463	10	5		DEBERN
CC1(C)CC[C@@H](CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)O1	ZINC000580838133	424969983	/nfs/dbraw/zinc/96/99/83/424969983.db2.gz	WDLUTBUMRFUTIW-JTQLQIEISA-N	0	0	318.333	2.613	10	5		DEBERN
O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]2OCCC[C@H]2C1	ZINC000121112894	267420826	/nfs/dbraw/zinc/42/08/26/267420826.db2.gz	FFIGTZQVNPZPRP-HZMBPMFUSA-N	0	0	308.309	2.375	10	5		DEBERN
CC(=O)Nc1ccc(I)cc1[N+](=O)[O-]	ZINC000039953846	275493251	/nfs/dbraw/zinc/49/32/51/275493251.db2.gz	PLRRDWQISKEZPC-UHFFFAOYSA-N	0	0	306.059	2.158	10	5		DEBERN
CC(C)c1ccc(C(=O)N[C@@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-]	ZINC000187754195	276050840	/nfs/dbraw/zinc/05/08/40/276050840.db2.gz	AGWHFJKGKLNDDS-GFCCVEGCSA-N	0	0	319.361	2.069	10	5		DEBERN
CCOc1cccc(N2CCC[C@H](n3cncn3)C2)c1[N+](=O)[O-]	ZINC000273838934	276498730	/nfs/dbraw/zinc/49/87/30/276498730.db2.gz	HLIJFAMKABZANA-LBPRGKRZSA-N	0	0	317.349	2.427	10	5		DEBERN
CC(C)(C)OC(=O)N[C@H]1CCCN(c2ccncc2[N+](=O)[O-])C1	ZINC000087493423	277204065	/nfs/dbraw/zinc/20/40/65/277204065.db2.gz	XSOLWNRDLFVAFF-NSHDSACASA-N	0	0	322.365	2.483	10	5		DEBERN
Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000081578899	279136837	/nfs/dbraw/zinc/13/68/37/279136837.db2.gz	WNLQRRYAWGOKBH-GFCCVEGCSA-N	0	0	315.333	2.068	10	5		DEBERN
Cc1cc(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)ccc1[N+](=O)[O-]	ZINC000179350373	280324107	/nfs/dbraw/zinc/32/41/07/280324107.db2.gz	PLPVNPBNEVVDHZ-CYBMUJFWSA-N	0	0	315.333	2.389	10	5		DEBERN
Cc1cnc(N2CC(C)(C)O[C@@]3(CCCOC3)C2)c([N+](=O)[O-])c1	ZINC000408336478	302347654	/nfs/dbraw/zinc/34/76/54/302347654.db2.gz	AOCOHMOAVYIFJR-INIZCTEOSA-N	0	0	321.377	2.463	10	5		DEBERN
COC(=O)c1cc(N2CCC[C@H]([C@H](C)O)C2)cc(C)c1[N+](=O)[O-]	ZINC000301779472	533852095	/nfs/dbraw/zinc/85/20/95/533852095.db2.gz	MUEPLIDAXVOOQN-RYUDHWBXSA-N	0	0	322.361	2.287	10	5		DEBERN
CC1(C)CCC(NC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1	ZINC000153053943	520302097	/nfs/dbraw/zinc/30/20/97/520302097.db2.gz	PPQJHGDNTBQDJL-UHFFFAOYSA-N	0	0	309.370	2.059	10	5		DEBERN
CCCCC[C@H](C)NC(=O)Cn1cc([N+](=O)[O-])cc(C)c1=O	ZINC000155937197	520303768	/nfs/dbraw/zinc/30/37/68/520303768.db2.gz	WVXXIGIJBAGZNK-LBPRGKRZSA-N	0	0	309.366	2.150	10	5		DEBERN
CCCCOC[C@@H](O)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1	ZINC000193383249	528620975	/nfs/dbraw/zinc/62/09/75/528620975.db2.gz	AVXFWTXLDHYZSB-ZDUSSCGKSA-N	0	0	320.349	2.031	10	5		DEBERN
CN(Cc1ccc(Cl)nc1)C(=O)c1cccc([N+](=O)[O-])c1N	ZINC000175905078	623741155	/nfs/dbraw/zinc/74/11/55/623741155.db2.gz	CFCLCVXLIPQSHN-UHFFFAOYSA-N	0	0	320.736	2.498	10	5		DEBERN
CCC[C@@H](C(=O)OCCn1cnc([N+](=O)[O-])n1)c1ccccc1	ZINC000176681341	624898042	/nfs/dbraw/zinc/89/80/42/624898042.db2.gz	PBBLLWORHUWGKW-CYBMUJFWSA-N	0	0	318.333	2.313	10	5		DEBERN
CC(C)(C(=O)OCCn1cc([N+](=O)[O-])cn1)c1cccs1	ZINC000177789890	625090210	/nfs/dbraw/zinc/09/02/10/625090210.db2.gz	ZQRMVQXTQLVRBP-UHFFFAOYSA-N	0	0	309.347	2.374	10	5		DEBERN
CC(C)(C)OC(=O)NC[C@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1	ZINC000735487548	633513299	/nfs/dbraw/zinc/51/32/99/633513299.db2.gz	NGZULZLZDYBXMZ-LLVKDONJSA-N	0	0	322.365	2.341	10	5		DEBERN
C[C@H](OC[C@@H]1CCCO1)C(=O)OCc1csc([N+](=O)[O-])c1	ZINC000253386799	634190987	/nfs/dbraw/zinc/19/09/87/634190987.db2.gz	YBEIWYDHYBKSGT-ONGXEEELSA-N	0	0	315.347	2.284	10	5		DEBERN
CC[C@@H](Cc1ccc(C)cc1)OC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000744261621	638204430	/nfs/dbraw/zinc/20/44/30/638204430.db2.gz	YJWQBMQPHGZQMM-ZDUSSCGKSA-N	0	0	318.333	2.059	10	5		DEBERN
O=[N+]([O-])c1c(NC[C@@H](CO)c2ccccc2)nc2ccccn21	ZINC000749286414	638631814	/nfs/dbraw/zinc/63/18/14/638631814.db2.gz	NLXGMEUGDCEWBH-ZDUSSCGKSA-N	0	0	312.329	2.431	10	5		DEBERN
CC(=O)N1CSC[C@H]1C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1	ZINC000728167788	639045308	/nfs/dbraw/zinc/04/53/08/639045308.db2.gz	ULFPYVRGNJVZEY-ZANVPECISA-N	0	0	324.358	2.120	10	5		DEBERN
C/C(=C\C(=O)O[C@@H](C)c1nncn1C)c1ccc([N+](=O)[O-])cc1	ZINC000805529086	641985089	/nfs/dbraw/zinc/98/50/89/641985089.db2.gz	SJGSYIIADNYTHU-UQSGXBNBSA-N	0	0	316.317	2.431	10	5		DEBERN
O=C(NC[C@H]1CCC[C@H]1O)c1cc(Cl)c(F)c([N+](=O)[O-])c1	ZINC000900867548	642507813	/nfs/dbraw/zinc/50/78/13/642507813.db2.gz	OOJIIFFMYYJZHK-RDDDGLTNSA-N	0	0	316.716	2.278	10	5		DEBERN
C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1ccncc1	ZINC000801917780	645461526	/nfs/dbraw/zinc/46/15/26/645461526.db2.gz	PDMKFIVALHICPR-VIFPVBQESA-N	0	0	318.308	2.245	10	5		DEBERN
CCc1[nH]nc(C(=O)OC[C@@H]2Cc3ccccc32)c1[N+](=O)[O-]	ZINC000803455963	645656256	/nfs/dbraw/zinc/65/62/56/645656256.db2.gz	YLNUFGQXXKYQAC-JTQLQIEISA-N	0	0	301.302	2.377	10	5		DEBERN
CC/C=C\COC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000732498134	647608296	/nfs/dbraw/zinc/60/82/96/647608296.db2.gz	YBZPHYZDRAXYPD-BYCRGOAPSA-N	0	0	322.317	2.302	10	5		DEBERN
CC(C)OCCC(=O)OCCN(C)c1ccc([N+](=O)[O-])cc1	ZINC000064713536	648354123	/nfs/dbraw/zinc/35/41/23/648354123.db2.gz	WTZVAWGCIROZHT-UHFFFAOYSA-N	0	0	310.350	2.389	10	5		DEBERN
CO[C@@H]1CCC[C@H](OC(=O)COc2ccccc2[N+](=O)[O-])C1	ZINC000073071054	649601437	/nfs/dbraw/zinc/60/14/37/649601437.db2.gz	MSWOSFXTICOFPR-NEPJUHHUSA-N	0	0	309.318	2.474	10	5		DEBERN
CC(=O)N1CSC[C@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1	ZINC000349863936	685320978	/nfs/dbraw/zinc/32/09/78/685320978.db2.gz	PCGAOBNOLVPWCC-NSHDSACASA-N	0	0	320.330	2.239	10	5		DEBERN
C[C@@H](Cc1ccccc1)OC(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000077942428	683958164	/nfs/dbraw/zinc/95/81/64/683958164.db2.gz	YIFISRKFOUDHRX-LBPRGKRZSA-N	0	0	303.318	2.356	10	5		DEBERN
O=C(CCc1cccc([N+](=O)[O-])c1)OCCN1CCSCC1	ZINC000127895867	684167209	/nfs/dbraw/zinc/16/72/09/684167209.db2.gz	VFVPUUITCZCULN-UHFFFAOYSA-N	0	0	324.402	2.119	10	5		DEBERN
CC(=O)Nc1cccc(OC(=O)c2cc([N+](=O)[O-])cnc2C)c1	ZINC000194749941	685076837	/nfs/dbraw/zinc/07/68/37/685076837.db2.gz	FKLWTFPZHABRRO-UHFFFAOYSA-N	0	0	315.285	2.476	10	5		DEBERN
Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCOc2ccccc21	ZINC000195129913	685087725	/nfs/dbraw/zinc/08/77/25/685087725.db2.gz	SDBCDPSEXGJQGW-CQSZACIVSA-N	0	0	313.313	2.431	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccnc(C)n1	ZINC000588437605	777194147	/nfs/dbraw/zinc/19/41/47/777194147.db2.gz	IISNONUSIGFZFO-LUAWRHEFSA-N	0	0	312.329	2.413	10	5		DEBERN
Cn1c(C(=O)N2CCC=C(Br)C2)ccc1[N+](=O)[O-]	ZINC000404414605	777455397	/nfs/dbraw/zinc/45/53/97/777455397.db2.gz	XUYSEKABIUWUIL-UHFFFAOYSA-N	0	0	314.139	2.058	10	5		DEBERN
CCOc1ccc(NC(=O)c2nn(CC)cc2[N+](=O)[O-])cc1	ZINC000138484199	282099368	/nfs/dbraw/zinc/09/93/68/282099368.db2.gz	DHURKPKCBRFFCE-UHFFFAOYSA-N	0	0	304.306	2.462	10	5		DEBERN
C[C@H](CS(C)(=O)=O)Nc1ccc2scnc2c1[N+](=O)[O-]	ZINC000081904424	192336562	/nfs/dbraw/zinc/33/65/62/192336562.db2.gz	PNHKMPXGZWZBJF-SSDOTTSWSA-N	0	0	315.376	2.050	10	5		DEBERN
CC(=O)c1cc([N+](=O)[O-])cc(CCNC(=O)OC(C)(C)C)n1	ZINC000095767866	185384190	/nfs/dbraw/zinc/38/41/90/185384190.db2.gz	BJEJWAMPMJDQIF-UHFFFAOYSA-N	0	0	309.322	2.260	10	5		DEBERN
CCOC(=O)[C@@H](C)CN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CC1	ZINC000096759593	185386569	/nfs/dbraw/zinc/38/65/69/185386569.db2.gz	PGPLGHQZFWAXPV-NSHDSACASA-N	0	0	320.345	2.399	10	5		DEBERN
O=C(N[C@H]1CCOC1)c1c([N+](=O)[O-])cccc1C(F)(F)F	ZINC000612556221	361859958	/nfs/dbraw/zinc/85/99/58/361859958.db2.gz	QZXYHDXXCYPKAG-ZETCQYMHSA-N	0	0	304.224	2.132	10	5		DEBERN
COC(=O)[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1	ZINC000083170433	185215988	/nfs/dbraw/zinc/21/59/88/185215988.db2.gz	ZKPOXKBUHDRDMU-SNVBAGLBSA-N	0	0	319.317	2.121	10	5		DEBERN
CN(Cc1cscn1)C(=O)c1ccnc(Cl)c1[N+](=O)[O-]	ZINC000088805961	185266239	/nfs/dbraw/zinc/26/62/39/185266239.db2.gz	YXOQPULMDNPDIJ-UHFFFAOYSA-N	0	0	312.738	2.372	10	5		DEBERN
Cc1c(N)cccc1S(=O)(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000166025517	197686736	/nfs/dbraw/zinc/68/67/36/197686736.db2.gz	WJAGUMPMBJXTHX-UHFFFAOYSA-N	0	0	306.343	2.459	10	5		DEBERN
COC(=O)c1ccc([N+](=O)[O-])c(OCCCC(F)(F)F)n1	ZINC000166627163	197695811	/nfs/dbraw/zinc/69/58/11/197695811.db2.gz	VMLNLJPZKFBLIB-UHFFFAOYSA-N	0	0	308.212	2.498	10	5		DEBERN
Cc1cc(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)cc([N+](=O)[O-])c1	ZINC000181385424	199289169	/nfs/dbraw/zinc/28/91/69/199289169.db2.gz	OZHKHFVQDAUGDD-CYBMUJFWSA-N	0	0	315.333	2.389	10	5		DEBERN
CC1(C)CC[C@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])O1	ZINC000186220321	282270212	/nfs/dbraw/zinc/27/02/12/282270212.db2.gz	KDTNHNOGNRVYFW-GFCCVEGCSA-N	0	0	307.350	2.352	10	5		DEBERN
Cc1c([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2C)cnn1C	ZINC000194794366	282365824	/nfs/dbraw/zinc/36/58/24/282365824.db2.gz	FOVADCNVKSKZQF-JTQLQIEISA-N	0	0	302.334	2.436	10	5		DEBERN
Cc1cc(C(=O)NCC(=O)N2CCCC2(C)C)ccc1[N+](=O)[O-]	ZINC000183399743	199587785	/nfs/dbraw/zinc/58/77/85/199587785.db2.gz	MGQMKYNTDVUFIK-UHFFFAOYSA-N	0	0	319.361	2.034	10	5		DEBERN
C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H](C)N1C	ZINC000141954546	186031226	/nfs/dbraw/zinc/03/12/26/186031226.db2.gz	PMVZSHISEJEEKZ-NXEZZACHSA-N	0	0	311.769	2.413	10	5		DEBERN
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1csc(N)n1	ZINC000147519409	186040359	/nfs/dbraw/zinc/04/03/59/186040359.db2.gz	FSYPUICIMNWXTF-QMMMGPOBSA-N	0	0	306.347	2.467	10	5		DEBERN
O=[N+]([O-])c1ccccc1-c1nc(I)no1	ZINC000163903622	186141412	/nfs/dbraw/zinc/14/14/12/186141412.db2.gz	PMDPLPNYBQAHAD-UHFFFAOYSA-N	0	0	317.042	2.249	10	5		DEBERN
CSCCC(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1	ZINC000171484508	186167411	/nfs/dbraw/zinc/16/74/11/186167411.db2.gz	UQTZCLQTQMVIKN-UHFFFAOYSA-N	0	0	307.335	2.072	10	5		DEBERN
COc1cc(C(=O)NC[C@H]2CCCC[C@H]2O)cc([N+](=O)[O-])c1C	ZINC000188007703	186242738	/nfs/dbraw/zinc/24/27/38/186242738.db2.gz	TWSAPSBDODIRBA-BXUZGUMPSA-N	0	0	322.361	2.193	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](C)C1	ZINC000030493525	354125165	/nfs/dbraw/zinc/12/51/65/354125165.db2.gz	SCIFUFVYQFCIMM-SNVBAGLBSA-N	0	0	314.363	2.024	10	5		DEBERN
O=C(NCc1cnn(-c2ccccc2)c1)c1ccc([N+](=O)[O-])o1	ZINC000075475919	355088849	/nfs/dbraw/zinc/08/88/49/355088849.db2.gz	YABCMTXRCGJZNJ-UHFFFAOYSA-N	0	0	312.285	2.304	10	5		DEBERN
CNc1ccc(S(=O)(=O)NC[C@@H](C)C(C)C)cc1[N+](=O)[O-]	ZINC000081112874	192227967	/nfs/dbraw/zinc/22/79/67/192227967.db2.gz	AVZSEXHCPNNCOA-SNVBAGLBSA-N	0	0	315.395	2.207	10	5		DEBERN
CNc1ccc(S(=O)(=O)NC[C@H](C)C(C)C)c([N+](=O)[O-])c1	ZINC000081113094	192228409	/nfs/dbraw/zinc/22/84/09/192228409.db2.gz	YMVHLGQBUYRHQG-JTQLQIEISA-N	0	0	315.395	2.207	10	5		DEBERN
CO[C@H]1C[C@@H](CO)N(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1	ZINC000319792548	356442269	/nfs/dbraw/zinc/44/22/69/356442269.db2.gz	BBZMKOLHFKUBOG-UWVGGRQHSA-N	0	0	320.267	2.200	10	5		DEBERN
C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000081452100	192268987	/nfs/dbraw/zinc/26/89/87/192268987.db2.gz	ZVHURQXDGMJSED-LLVKDONJSA-N	0	0	322.361	2.326	10	5		DEBERN
O=[N+]([O-])c1nn(CCC[C@H]2CCOC2)cc1Br	ZINC000401074306	356725495	/nfs/dbraw/zinc/72/54/95/356725495.db2.gz	LIJYZRANPCKTNO-QMMMGPOBSA-N	0	0	304.144	2.371	10	5		DEBERN
CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@@H](O)CC(F)(F)C1	ZINC000588832536	357427172	/nfs/dbraw/zinc/42/71/72/357427172.db2.gz	QDVOXDHKERTCFH-JTQLQIEISA-N	0	0	300.261	2.004	10	5		DEBERN
COc1n[nH]c(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1	ZINC000179359783	199021121	/nfs/dbraw/zinc/02/11/21/199021121.db2.gz	WZCLUEOIKOLLKW-UHFFFAOYSA-N	0	0	319.321	2.271	10	5		DEBERN
CCS(=O)(=O)C1(CNc2c(F)cccc2[N+](=O)[O-])CC1	ZINC000596520714	358705758	/nfs/dbraw/zinc/70/57/58/358705758.db2.gz	HDRZDIZGPHGSLX-UHFFFAOYSA-N	0	0	302.327	2.113	10	5		DEBERN
COCCCCS(=O)(=O)Oc1ccc(C)c([N+](=O)[O-])c1	ZINC000185512575	199861392	/nfs/dbraw/zinc/86/13/92/199861392.db2.gz	LOONLJONXKJLCC-UHFFFAOYSA-N	0	0	303.336	2.038	10	5		DEBERN
COC(=O)[C@@]1(C)CCCN1C(=O)CCc1cccc([N+](=O)[O-])c1	ZINC000187651382	200140483	/nfs/dbraw/zinc/14/04/83/200140483.db2.gz	CRLWPMNLZLFNNA-MRXNPFEDSA-N	0	0	320.345	2.082	10	5		DEBERN
COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[C@@H](OC)C2)c1	ZINC000187774034	200155016	/nfs/dbraw/zinc/15/50/16/200155016.db2.gz	XKWQUPWXHKZTJF-YGRLFVJLSA-N	0	0	308.334	2.100	10	5		DEBERN
CCc1n[nH]c(C(=O)NC2C3CC4CC(C3)CC2C4)c1[N+](=O)[O-]	ZINC000188116135	200195739	/nfs/dbraw/zinc/19/57/39/200195739.db2.gz	XESLXIVYVBYDHH-UHFFFAOYSA-N	0	0	318.377	2.435	10	5		DEBERN
CC(=O)CCCc1cn(Cc2cccc([N+](=O)[O-])c2C)nn1	ZINC000603194453	360741397	/nfs/dbraw/zinc/74/13/97/360741397.db2.gz	BZXHASSXVCIDDV-UHFFFAOYSA-N	0	0	302.334	2.455	10	5		DEBERN
O=C1[C@H](Nc2ccc([N+](=O)[O-])nc2)CCN1C1CCCCC1	ZINC000610808451	361470302	/nfs/dbraw/zinc/47/03/02/361470302.db2.gz	RMTHSDQCRHTYNL-CYBMUJFWSA-N	0	0	304.350	2.335	10	5		DEBERN
COc1cc(C(=O)N(C)Cc2cc(C)on2)c([N+](=O)[O-])cc1F	ZINC000448681716	239518074	/nfs/dbraw/zinc/51/80/74/239518074.db2.gz	ORDMSPMPASJMPD-UHFFFAOYSA-N	0	0	323.280	2.311	10	5		DEBERN
CN1CCO[C@H](CNc2cc(F)c(Cl)cc2[N+](=O)[O-])C1	ZINC000091673907	193089244	/nfs/dbraw/zinc/08/92/44/193089244.db2.gz	SPNDZVYRHPIIJI-MRVPVSSYSA-N	0	0	303.721	2.130	10	5		DEBERN
CCNc1cc(C)c(S(=O)(=O)N[C@H]2C[C@H]2C)cc1[N+](=O)[O-]	ZINC000094780635	193397595	/nfs/dbraw/zinc/39/75/95/193397595.db2.gz	QSXHGKNTEFRBLM-SCZZXKLOSA-N	0	0	313.379	2.022	10	5		DEBERN
Cc1cc(N)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](C)C(C)C	ZINC000094780546	193397742	/nfs/dbraw/zinc/39/77/42/193397742.db2.gz	RWRFZMNJZSTMNF-SNVBAGLBSA-N	0	0	315.395	2.150	10	5		DEBERN
CCC[C@H](CC)NS(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1C	ZINC000094780557	193397768	/nfs/dbraw/zinc/39/77/68/193397768.db2.gz	DPGVOPXALSMZMV-JTQLQIEISA-N	0	0	315.395	2.342	10	5		DEBERN
CNc1cc(C)c(S(=O)(=O)NCCC2CC2)cc1[N+](=O)[O-]	ZINC000094780699	193398125	/nfs/dbraw/zinc/39/81/25/193398125.db2.gz	AGAUDHSUXDLIBP-UHFFFAOYSA-N	0	0	313.379	2.023	10	5		DEBERN
COC(=O)[C@]12CCC[C@@H]1CN(c1nccc(C)c1[N+](=O)[O-])C2	ZINC000302141384	284505027	/nfs/dbraw/zinc/50/50/27/284505027.db2.gz	FPFXSVJEDNGKSA-ABAIWWIYSA-N	0	0	305.334	2.078	10	5		DEBERN
CCn1nncc1CN(Cc1ccccc1[N+](=O)[O-])C1CC1	ZINC000459357796	248617774	/nfs/dbraw/zinc/61/77/74/248617774.db2.gz	ALGJIAXQHLZHHJ-UHFFFAOYSA-N	0	0	301.350	2.371	10	5		DEBERN
COc1ccc2nc(Nc3nc[nH]c(=O)c3[N+](=O)[O-])sc2c1	ZINC000040657631	183114812	/nfs/dbraw/zinc/11/48/12/183114812.db2.gz	XPEAAOHPRNLKEC-UHFFFAOYSA-N	0	0	319.302	2.040	10	5		DEBERN
CC(C)(C)NN=c1nc[nH]c(NCc2cccnc2)c1[N+](=O)[O-]	ZINC000040585515	183105734	/nfs/dbraw/zinc/10/57/34/183105734.db2.gz	FPAKKBJQKYRVSN-UHFFFAOYSA-N	0	0	317.353	2.107	10	5		DEBERN
CC(=O)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br	ZINC000040804712	183135783	/nfs/dbraw/zinc/13/57/83/183135783.db2.gz	NXJCUYQGNLZLBR-UHFFFAOYSA-N	0	0	301.096	2.275	10	5		DEBERN
Nc1ccccc1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1	ZINC000042192259	183239628	/nfs/dbraw/zinc/23/96/28/183239628.db2.gz	SYMNERJZFUYAMP-UHFFFAOYSA-N	0	0	306.343	2.193	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1C[S@@](=O)c1ccc(N)cc1	ZINC000042197134	183241175	/nfs/dbraw/zinc/24/11/75/183241175.db2.gz	REUYLKAMNTYZAI-NRFANRHFSA-N	0	0	306.343	2.493	10	5		DEBERN
Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCCCCC1	ZINC000050651107	183794035	/nfs/dbraw/zinc/79/40/35/183794035.db2.gz	ZWROKAICJWYDHR-UHFFFAOYSA-N	0	0	313.379	2.178	10	5		DEBERN
CCOC(C)(C)CNC(=O)c1ccnc(Cl)c1[N+](=O)[O-]	ZINC000159322985	197344543	/nfs/dbraw/zinc/34/45/43/197344543.db2.gz	VUUMIUNNWYKYPD-UHFFFAOYSA-N	0	0	301.730	2.188	10	5		DEBERN
CCOc1ccc(C(=O)Nc2c(C)cccc2[N+](=O)[O-])nn1	ZINC000061978223	184199322	/nfs/dbraw/zinc/19/93/22/184199322.db2.gz	MUFTYKPTHWHBAR-UHFFFAOYSA-N	0	0	302.290	2.344	10	5		DEBERN
CC(C)[NH2+][C@H](CCOc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)[O-]	ZINC000062595659	184244532	/nfs/dbraw/zinc/24/45/32/184244532.db2.gz	IRZYAMSXRBVTKO-LLVKDONJSA-N	0	0	316.741	2.468	10	5		DEBERN
CC[C@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1nccs1	ZINC000185702763	207367094	/nfs/dbraw/zinc/36/70/94/207367094.db2.gz	VFLWERCFNVDITI-QMMMGPOBSA-N	0	0	308.319	2.033	10	5		DEBERN
CCN(CC1CC1)S(=O)(=O)c1cc(NC)ccc1[N+](=O)[O-]	ZINC000069264464	184505903	/nfs/dbraw/zinc/50/59/03/184505903.db2.gz	QDFOJZDDMDTNGJ-UHFFFAOYSA-N	0	0	313.379	2.057	10	5		DEBERN
NC(=O)[C@H]1Cc2ccccc2CN1Cc1cccc([N+](=O)[O-])c1	ZINC000120109363	195098285	/nfs/dbraw/zinc/09/82/85/195098285.db2.gz	RJHSGGSWYCUAGN-MRXNPFEDSA-N	0	0	311.341	2.007	10	5		DEBERN
COC(=O)c1ccc([N+](=O)[O-])c(NCCCc2ccccn2)n1	ZINC000286202919	218846105	/nfs/dbraw/zinc/84/61/05/218846105.db2.gz	MIDIEAUTEUCNFB-UHFFFAOYSA-N	0	0	316.317	2.216	10	5		DEBERN
O=[N+]([O-])c1cc(F)c(Br)cc1NN1CCOCC1	ZINC000158184138	197251404	/nfs/dbraw/zinc/25/14/04/197251404.db2.gz	ZEJXJGSQJOBKJR-UHFFFAOYSA-N	0	0	320.118	2.156	10	5		DEBERN
CO[C@@H]1CC[C@@H]2OCCN(Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1	ZINC000157988402	197232896	/nfs/dbraw/zinc/23/28/96/197232896.db2.gz	XJHFUYYKFLSGMD-OAGGEKHMSA-N	0	0	306.362	2.363	10	5		DEBERN
CC[C@@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(NC)s1	ZINC000157581546	197199000	/nfs/dbraw/zinc/19/90/00/197199000.db2.gz	KORYBQPBACGVOB-SSDOTTSWSA-N	0	0	307.397	2.022	10	5		DEBERN
COC(=O)[C@@]12CCC[C@@H]1CN(c1cc(C)c([N+](=O)[O-])cn1)C2	ZINC000302163738	533152810	/nfs/dbraw/zinc/15/28/10/533152810.db2.gz	KIYWMMCDDFIGGO-IAQYHMDHSA-N	0	0	305.334	2.078	10	5		DEBERN
O=C(Nc1ncc[nH]1)c1cccc([N+](=O)[O-])c1Br	ZINC000156228415	197097227	/nfs/dbraw/zinc/09/72/27/197097227.db2.gz	PBCSMDMUNSGMGJ-UHFFFAOYSA-N	0	0	311.095	2.333	10	5		DEBERN
Cc1ccc(NCCCNC(=O)N[C@H]2C[C@@H]2C)c([N+](=O)[O-])c1	ZINC000154109763	196940328	/nfs/dbraw/zinc/94/03/28/196940328.db2.gz	JHRWOSPHJRREMQ-AAEUAGOBSA-N	0	0	306.366	2.413	10	5		DEBERN
CCOC(=O)c1cn2cc([N+](=O)[O-])c(C(F)(F)F)cc2n1	ZINC000504133875	257150506	/nfs/dbraw/zinc/15/05/06/257150506.db2.gz	JFFIGZRSZWDJOQ-UHFFFAOYSA-N	0	0	303.196	2.438	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CCN(CC(C)C)C(=O)[C@H]2C)n1	ZINC000547958986	285660469	/nfs/dbraw/zinc/66/04/69/285660469.db2.gz	YJQNLBXMGSKFNJ-CYBMUJFWSA-N	0	0	320.393	2.300	10	5		DEBERN
O=C(NC[C@H]1C[C@H]1c1ccccc1)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000188468242	145012826	/nfs/dbraw/zinc/01/28/26/145012826.db2.gz	DPKOCTGDBSPKBB-YPMHNXCESA-N	0	0	313.313	2.229	10	5		DEBERN
C[C@@H](C(=O)N(C)CC1CC(O)C1)c1ccc([N+](=O)[O-])cc1F	ZINC000188877366	145018908	/nfs/dbraw/zinc/01/89/08/145018908.db2.gz	JCNZWOCJSMBNEB-GRZMOONWSA-N	0	0	310.325	2.067	10	5		DEBERN
Cc1cc(N2CCC[C@H](c3ccnc(N)n3)C2)ncc1[N+](=O)[O-]	ZINC000192752824	145078423	/nfs/dbraw/zinc/07/84/23/145078423.db2.gz	JENJLCVASGGVTF-NSHDSACASA-N	0	0	314.349	2.054	10	5		DEBERN
Nc1ccc([N+](=O)[O-])c(N2CC[C@@H](Oc3cccnc3)C2)c1	ZINC000193477752	145086139	/nfs/dbraw/zinc/08/61/39/145086139.db2.gz	YLUYIHQTHITHAC-CYBMUJFWSA-N	0	0	300.318	2.230	10	5		DEBERN
CO[C@@H]1CC[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2C)C1	ZINC000359311219	147304868	/nfs/dbraw/zinc/30/48/68/147304868.db2.gz	SYETVBKPPDLWMB-QWHCGFSZSA-N	0	0	307.350	2.270	10	5		DEBERN
Nc1ccc(C(=O)Nc2cccc(-c3nc[nH]n3)c2)cc1[N+](=O)[O-]	ZINC000371639416	148125896	/nfs/dbraw/zinc/12/58/96/148125896.db2.gz	MIAVLQVEGGITBJ-UHFFFAOYSA-N	0	0	324.300	2.214	10	5		DEBERN
CCOC(=O)c1ccnc(NC[C@H]2CCCC[C@H]2O)c1[N+](=O)[O-]	ZINC000077237808	401807646	/nfs/dbraw/zinc/80/76/46/401807646.db2.gz	IGGOMZVGILKVLR-ZYHUDNBSSA-N	0	0	323.349	2.130	10	5		DEBERN
COc1ccc(OCc2nnc(C)n2C2CC2)c([N+](=O)[O-])c1	ZINC000130519302	401834577	/nfs/dbraw/zinc/83/45/77/401834577.db2.gz	QVBUCQXZIVPMKE-UHFFFAOYSA-N	0	0	304.306	2.417	10	5		DEBERN
COC(=O)c1cc([N+](=O)[O-])c(=O)n(C[C@@H](C)c2ccccc2)c1	ZINC000116611833	401855917	/nfs/dbraw/zinc/85/59/17/401855917.db2.gz	MUGAHBKMAGSEOK-LLVKDONJSA-N	0	0	316.313	2.347	10	5		DEBERN
CSC[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000134614657	401908725	/nfs/dbraw/zinc/90/87/25/401908725.db2.gz	ROJXWDDCHRVYGW-MRVPVSSYSA-N	0	0	322.433	2.172	10	5		DEBERN
CCOC(=O)CC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000089801725	401964952	/nfs/dbraw/zinc/96/49/52/401964952.db2.gz	NJRAQLCFCBMVFG-NSHDSACASA-N	0	0	308.334	2.365	10	5		DEBERN
C[C@H]1OCC[C@@H]1S(=O)(=O)Oc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000135547233	401944344	/nfs/dbraw/zinc/94/43/44/401944344.db2.gz	NXAIKLUBDAULAM-HQJQHLMTSA-N	0	0	321.738	2.134	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC1=CCCC1	ZINC000123688238	402141614	/nfs/dbraw/zinc/14/16/14/402141614.db2.gz	STYYMIYJGSVQFZ-UHFFFAOYSA-N	0	0	317.345	2.458	10	5		DEBERN
COC[C@@H](C)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl	ZINC000103428871	402187322	/nfs/dbraw/zinc/18/73/22/402187322.db2.gz	UESWRYLRNQVETE-SECBINFHSA-N	0	0	300.742	2.489	10	5		DEBERN
C[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(C)(C)C	ZINC000153754088	402168398	/nfs/dbraw/zinc/16/83/98/402168398.db2.gz	OKXFWKUECUEYSM-SNVBAGLBSA-N	0	0	300.380	2.449	10	5		DEBERN
Cc1cc(NC(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)ccc1[N+](=O)[O-]	ZINC000153832427	402173703	/nfs/dbraw/zinc/17/37/03/402173703.db2.gz	TVLWIYBXENBTFH-WDEREUQCSA-N	0	0	320.349	2.021	10	5		DEBERN
Cc1sc(C(=O)N(C)CCCn2ccnc2)cc1[N+](=O)[O-]	ZINC000155106993	402245791	/nfs/dbraw/zinc/24/57/91/402245791.db2.gz	HDNUTTFNWJJCAE-UHFFFAOYSA-N	0	0	308.363	2.324	10	5		DEBERN
CS(=O)(=O)c1cc(N[C@H]2CCCSC2)ccc1[N+](=O)[O-]	ZINC000125829974	402252474	/nfs/dbraw/zinc/25/24/74/402252474.db2.gz	XUDGPGRJNISOGR-JTQLQIEISA-N	0	0	316.404	2.306	10	5		DEBERN
O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccc(C(F)F)cc1	ZINC000184594893	402280883	/nfs/dbraw/zinc/28/08/83/402280883.db2.gz	NKFCIKUDSALRLT-UHFFFAOYSA-N	0	0	310.260	2.045	10	5		DEBERN
Cc1cc(NC(=O)Cn2cccn2)c2cc([N+](=O)[O-])ccc2n1	ZINC000161782598	402399067	/nfs/dbraw/zinc/39/90/67/402399067.db2.gz	PZMUCSHJDDOUHO-UHFFFAOYSA-N	0	0	311.301	2.287	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H](C)C(=O)OC(C)C	ZINC000162170063	402412316	/nfs/dbraw/zinc/41/23/16/402412316.db2.gz	PBGQJWTUFKSYNV-LLVKDONJSA-N	0	0	308.334	2.315	10	5		DEBERN
CCc1ccc(C(=O)N[C@H]2CCCn3ncnc32)cc1[N+](=O)[O-]	ZINC000177531790	402413237	/nfs/dbraw/zinc/41/32/37/402413237.db2.gz	WTCIKGVTXPOZMU-LBPRGKRZSA-N	0	0	315.333	2.014	10	5		DEBERN
CCOCCOCC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1	ZINC000177796167	402436617	/nfs/dbraw/zinc/43/66/17/402436617.db2.gz	BEBQQYAHWWMWRR-AWEZNQCLSA-N	0	0	310.350	2.215	10	5		DEBERN
Cc1cccc(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)c1[N+](=O)[O-]	ZINC000178338356	402486588	/nfs/dbraw/zinc/48/65/88/402486588.db2.gz	ASRHSHHDHQUJIF-ZBFHGGJFSA-N	0	0	312.325	2.291	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(CC(=O)c2ccc3c(c2)CCC3)c1=O	ZINC000178340093	402486854	/nfs/dbraw/zinc/48/68/54/402486854.db2.gz	FMXKCWSAVISLIO-UHFFFAOYSA-N	0	0	312.325	2.437	10	5		DEBERN
CNC(=O)Cc1nc(COc2cc([N+](=O)[O-])ccc2C)cs1	ZINC000178503136	402504863	/nfs/dbraw/zinc/50/48/63/402504863.db2.gz	GOBRLADFEDPOEP-UHFFFAOYSA-N	0	0	321.358	2.227	10	5		DEBERN
O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1Cc2ccccc2[C@@H]1O	ZINC000170993119	402547717	/nfs/dbraw/zinc/54/77/17/402547717.db2.gz	YETFTEDHZQEVDC-CABCVRRESA-N	0	0	313.313	2.375	10	5		DEBERN
O=C(c1cnn2c1CCCC2)N1CCc2c1cccc2[N+](=O)[O-]	ZINC000179082927	402570936	/nfs/dbraw/zinc/57/09/36/402570936.db2.gz	VXXWYGYHPHZZBY-UHFFFAOYSA-N	0	0	312.329	2.331	10	5		DEBERN
Cc1csc([C@H]2CN(c3ncc([N+](=O)[O-])s3)CCO2)n1	ZINC000190323186	402592361	/nfs/dbraw/zinc/59/23/61/402592361.db2.gz	SVZAMLYKLGPMPG-MRVPVSSYSA-N	0	0	312.376	2.394	10	5		DEBERN
O=C(CNc1ccccc1[N+](=O)[O-])NCc1ccc(Cl)cn1	ZINC000182132661	402668372	/nfs/dbraw/zinc/66/83/72/402668372.db2.gz	UYKSOHUUNKVGEX-UHFFFAOYSA-N	0	0	320.736	2.372	10	5		DEBERN
CC(C)[C@@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000172666261	402668884	/nfs/dbraw/zinc/66/88/84/402668884.db2.gz	OFOAJUMNGGAHKX-VIFPVBQESA-N	0	0	304.343	2.304	10	5		DEBERN
CCS[C@@H]1CCC[C@@H]1NC(=O)c1nn(CC)cc1[N+](=O)[O-]	ZINC000191653774	402684538	/nfs/dbraw/zinc/68/45/38/402684538.db2.gz	HZPGDGVACJFSLK-GXSJLCMTSA-N	0	0	312.395	2.215	10	5		DEBERN
CCn1cnnc1C1CCN(c2ncc([N+](=O)[O-])s2)CC1	ZINC000192451678	402729852	/nfs/dbraw/zinc/72/98/52/402729852.db2.gz	BJXMNLAZBOCBEY-UHFFFAOYSA-N	0	0	308.367	2.047	10	5		DEBERN
COc1ccc(NC(=O)COCc2cc(C)no2)c([N+](=O)[O-])c1	ZINC000193279845	402769437	/nfs/dbraw/zinc/76/94/37/402769437.db2.gz	FTCWITSOFAGEBW-UHFFFAOYSA-N	0	0	321.289	2.055	10	5		DEBERN
Cc1nn(C)c(C)c1CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1	ZINC000194395053	402795001	/nfs/dbraw/zinc/79/50/01/402795001.db2.gz	METSVDZIPONUBU-UHFFFAOYSA-N	0	0	316.361	2.226	10	5		DEBERN
COC(=O)c1coc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1	ZINC000184084599	402816702	/nfs/dbraw/zinc/81/67/02/402816702.db2.gz	IDBQABBUMRZVEH-SECBINFHSA-N	0	0	318.285	2.465	10	5		DEBERN
CC[C@H](NC(=O)NCCCC(=O)OC)c1cccc([N+](=O)[O-])c1	ZINC000175549508	402816923	/nfs/dbraw/zinc/81/69/23/402816923.db2.gz	GFVXOHQBCXOABO-ZDUSSCGKSA-N	0	0	323.349	2.298	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C(N)=O)ccc1F	ZINC000195289358	402840446	/nfs/dbraw/zinc/84/04/46/402840446.db2.gz	GGVRMFLEAYTKFF-UHFFFAOYSA-N	0	0	317.276	2.394	10	5		DEBERN
C[C@@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(C)(C)C	ZINC000183661252	402786302	/nfs/dbraw/zinc/78/63/02/402786302.db2.gz	MINMURLKTZUKGZ-LLVKDONJSA-N	0	0	314.407	2.491	10	5		DEBERN
Cc1nccn1C[C@@H]1CCCN1c1ncc(C)cc1[N+](=O)[O-]	ZINC000267267263	403030810	/nfs/dbraw/zinc/03/08/10/403030810.db2.gz	YNZNDIJYTZJQPN-ZDUSSCGKSA-N	0	0	301.350	2.472	10	5		DEBERN
O=C(CNc1ncc([N+](=O)[O-])cc1Cl)Nc1ccccn1	ZINC000301665125	403661000	/nfs/dbraw/zinc/66/10/00/403661000.db2.gz	LRRHGROOXNSBAJ-UHFFFAOYSA-N	0	0	307.697	2.089	10	5		DEBERN
CC(=O)c1ccc(NCC(=O)Nc2ccccn2)c([N+](=O)[O-])c1	ZINC000301678671	403663847	/nfs/dbraw/zinc/66/38/47/403663847.db2.gz	RQOZAFOBIHFYHL-UHFFFAOYSA-N	0	0	314.301	2.243	10	5		DEBERN
C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCO[C@@]2(CCOC2)C1	ZINC000347386282	403689629	/nfs/dbraw/zinc/68/96/29/403689629.db2.gz	XWYUUELOCFRKFI-DZXKJOIRSA-N	0	0	318.373	2.489	10	5		DEBERN
CC(=O)c1ccc(N2CCC[C@@H](c3nnc[nH]3)C2)c([N+](=O)[O-])c1	ZINC000374032669	404674283	/nfs/dbraw/zinc/67/42/83/404674283.db2.gz	NWRGJTXDXARVLU-GFCCVEGCSA-N	0	0	315.333	2.300	10	5		DEBERN
CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1	ZINC000367291792	404998517	/nfs/dbraw/zinc/99/85/17/404998517.db2.gz	VKCFTHFUBGQATO-XDMRBOTDSA-N	0	0	317.345	2.219	10	5		DEBERN
Cc1c([N+](=O)[O-])cc(C(=O)N2CCOCC[C@H]2C)cc1[N+](=O)[O-]	ZINC000367647791	405112759	/nfs/dbraw/zinc/11/27/59/405112759.db2.gz	ZXQACCOEVLVVLD-SECBINFHSA-N	0	0	323.305	2.062	10	5		DEBERN
COC(=O)c1cc(C)nc(N2CC3(C2)CCCC3)c1[N+](=O)[O-]	ZINC000367813803	405162449	/nfs/dbraw/zinc/16/24/49/405162449.db2.gz	KNBUONSKUOBPHJ-UHFFFAOYSA-N	0	0	305.334	2.465	10	5		DEBERN
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCCCCO1	ZINC000408287532	405162526	/nfs/dbraw/zinc/16/25/26/405162526.db2.gz	RPCOBRWSWDDIBY-UHFFFAOYSA-N	0	0	320.754	2.354	10	5		DEBERN
C[C@H]1C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1	ZINC000448699791	405438316	/nfs/dbraw/zinc/43/83/16/405438316.db2.gz	NHVOSKRGQJVVBF-JQWIXIFHSA-N	0	0	300.318	2.166	10	5		DEBERN
CCOc1ccc(C(=O)N[C@H](C)CC(C)(C)O)cc1[N+](=O)[O-]	ZINC000456092204	405496274	/nfs/dbraw/zinc/49/62/74/405496274.db2.gz	ZEEOZKUMQQESLD-SNVBAGLBSA-N	0	0	310.350	2.273	10	5		DEBERN
COC(=O)Cc1c(Br)cc(OC)cc1[N+](=O)[O-]	ZINC000575712777	406822137	/nfs/dbraw/zinc/82/21/37/406822137.db2.gz	QGWVKLAQFJIVLA-UHFFFAOYSA-N	0	0	304.096	2.081	10	5		DEBERN
COC(=O)Cc1cc([N+](=O)[O-])cc(OC)c1Br	ZINC000575711980	406822197	/nfs/dbraw/zinc/82/21/97/406822197.db2.gz	BNZVLESGJJRKJS-UHFFFAOYSA-N	0	0	304.096	2.081	10	5		DEBERN
COC(=O)c1cc([N+](=O)[O-])c(C)cc1I	ZINC000575714537	406822787	/nfs/dbraw/zinc/82/27/87/406822787.db2.gz	ICCSCAQTLSBESZ-UHFFFAOYSA-N	0	0	321.070	2.294	10	5		DEBERN
CC[C@@H]1CN(c2nc(C)cc(C)c2[N+](=O)[O-])C[C@]2(CCOC2)O1	ZINC000408335374	287213665	/nfs/dbraw/zinc/21/36/65/287213665.db2.gz	HARGBUCGQXKLPI-CJNGLKHVSA-N	0	0	321.377	2.381	10	5		DEBERN
COc1c(C)cc(CN(C)C(=O)c2n[nH]cc2[N+](=O)[O-])cc1C	ZINC000130577789	196092104	/nfs/dbraw/zinc/09/21/04/196092104.db2.gz	DNZALRXJTRRXKR-UHFFFAOYSA-N	0	0	318.333	2.216	10	5		DEBERN
Nc1cc(C(=O)NCCCC(F)(F)F)c([N+](=O)[O-])cc1F	ZINC000131105381	196140982	/nfs/dbraw/zinc/14/09/82/196140982.db2.gz	CEMWHXNTNNCZBU-UHFFFAOYSA-N	0	0	309.219	2.388	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CC=CCC2)cc1F	ZINC000131207953	196149488	/nfs/dbraw/zinc/14/94/88/196149488.db2.gz	KNXLZUCTSAPRQK-JTQLQIEISA-N	0	0	314.338	2.369	10	5		DEBERN
Cc1c[nH+]ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131225881	196151760	/nfs/dbraw/zinc/15/17/60/196151760.db2.gz	FNKAFMQBSMRVFW-UHFFFAOYSA-N	0	0	311.294	2.238	10	5		DEBERN
CC[C@](C)(CCO)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2	ZINC000131827883	196203271	/nfs/dbraw/zinc/20/32/71/196203271.db2.gz	BGERDCMKJYZOLF-OAHLLOKOSA-N	0	0	307.350	2.443	10	5		DEBERN
CC[C@@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(NC)c1	ZINC000131877915	196206024	/nfs/dbraw/zinc/20/60/24/196206024.db2.gz	HKRNVASWHRYDPB-SECBINFHSA-N	0	0	301.368	2.056	10	5		DEBERN
C[C@H]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)C1	ZINC000132011411	196218947	/nfs/dbraw/zinc/21/89/47/196218947.db2.gz	CEHWFVBSJLZPPV-IUCAKERBSA-N	0	0	302.327	2.201	10	5		DEBERN
CCNc1cc(S(=O)(=O)NC[C@@H](C)CC)ccc1[N+](=O)[O-]	ZINC000132444684	196256114	/nfs/dbraw/zinc/25/61/14/196256114.db2.gz	QMJTYTWUTZNKBV-JTQLQIEISA-N	0	0	315.395	2.351	10	5		DEBERN
Cc1nc(N)sc1C(=O)Nc1c(F)cc(F)cc1[N+](=O)[O-]	ZINC000132545579	196264795	/nfs/dbraw/zinc/26/47/95/196264795.db2.gz	PVPARWYKSQWTEH-UHFFFAOYSA-N	0	0	314.273	2.472	10	5		DEBERN
CC[C@H](CC1CC1)NS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1	ZINC000132715714	196278370	/nfs/dbraw/zinc/27/83/70/196278370.db2.gz	WZEZAXDNHHKGCW-SNVBAGLBSA-N	0	0	313.379	2.034	10	5		DEBERN
C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[S@](C)=O	ZINC000132929524	196296763	/nfs/dbraw/zinc/29/67/63/196296763.db2.gz	XWTAJNUGCMRMRY-FFVOIRBGSA-N	0	0	318.782	2.135	10	5		DEBERN
CC[S@@](=O)CCNc1c(F)cc([N+](=O)[O-])c2cccnc21	ZINC000133220528	196322778	/nfs/dbraw/zinc/32/27/78/196322778.db2.gz	DFEILDUQBSKQDB-NRFANRHFSA-N	0	0	311.338	2.463	10	5		DEBERN
COC(=O)[C@@H]1CCCCN1c1cc(F)cc(F)c1[N+](=O)[O-]	ZINC000133894143	196343955	/nfs/dbraw/zinc/34/39/55/196343955.db2.gz	MKWYXYRNFXULSK-JTQLQIEISA-N	0	0	300.261	2.405	10	5		DEBERN
Cc1ccc(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c(N)c1	ZINC000135066835	196442741	/nfs/dbraw/zinc/44/27/41/196442741.db2.gz	NONUMVZMJRHPKZ-UHFFFAOYSA-N	0	0	306.343	2.459	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccccn2)C2CC2)n1	ZINC000191480051	225112004	/nfs/dbraw/zinc/11/20/04/225112004.db2.gz	GEFSDQGWPSKJCN-UHFFFAOYSA-N	0	0	315.333	2.011	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCCSc2ccccc2)n1	ZINC000191474030	225112132	/nfs/dbraw/zinc/11/21/32/225112132.db2.gz	DYRWBRSQJOQHCD-UHFFFAOYSA-N	0	0	320.374	2.333	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCc3ccccc32)n1	ZINC000191611022	225112576	/nfs/dbraw/zinc/11/25/76/225112576.db2.gz	XTZYQNAHYOKEIT-GFCCVEGCSA-N	0	0	314.345	2.271	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCCc2cc(C)cc(C)c2)n1	ZINC000191631097	225115075	/nfs/dbraw/zinc/11/50/75/225115075.db2.gz	PTRUFDRBPLEXNN-UHFFFAOYSA-N	0	0	316.361	2.401	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(F)ccc2C(C)=O)n1	ZINC000191707284	225116049	/nfs/dbraw/zinc/11/60/49/225116049.db2.gz	LXLOUZRRJRVOLE-UHFFFAOYSA-N	0	0	320.280	2.405	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCCCCCSC)n1	ZINC000191716567	225116585	/nfs/dbraw/zinc/11/65/85/225116585.db2.gz	BHFGESVVVKSXNX-UHFFFAOYSA-N	0	0	300.384	2.074	10	5		DEBERN
COCc1csc(NC(=O)c2cccc(OC)c2[N+](=O)[O-])n1	ZINC000194374222	225179660	/nfs/dbraw/zinc/17/96/60/225179660.db2.gz	DWGLMNRTLWOSBI-UHFFFAOYSA-N	0	0	323.330	2.459	10	5		DEBERN
CC(C)Cn1ccnc1NC(=O)COc1ccc([N+](=O)[O-])cc1	ZINC000064661046	418485495	/nfs/dbraw/zinc/48/54/95/418485495.db2.gz	GNAPLACWAFSEHW-UHFFFAOYSA-N	0	0	318.333	2.465	10	5		DEBERN
COC(=O)c1cc(C)nc(NC[C@@H]2CCC[C@@H]2C)c1[N+](=O)[O-]	ZINC000553559544	424877777	/nfs/dbraw/zinc/87/77/77/424877777.db2.gz	NMAZJQISJWFHLL-ONGXEEELSA-N	0	0	307.350	2.933	10	5		DEBERN
Cc1cc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)on1	ZINC000195186673	424881686	/nfs/dbraw/zinc/88/16/86/424881686.db2.gz	CLCUFSJJCAAIRD-UHFFFAOYSA-N	0	0	300.274	2.303	10	5		DEBERN
CC(C)[C@@](C)(CO)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000398563030	269109355	/nfs/dbraw/zinc/10/93/55/269109355.db2.gz	MKEUHTGOHYNCQB-CYBMUJFWSA-N	0	0	300.742	2.385	10	5		DEBERN
CCCNC(=O)C1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1	ZINC000302823716	276264236	/nfs/dbraw/zinc/26/42/36/276264236.db2.gz	VHNGQPBIXIMCOC-UHFFFAOYSA-N	0	0	309.341	2.477	10	5		DEBERN
CC(=O)c1ccc(N2CCCC[C@@H]2CC(N)=O)c([N+](=O)[O-])c1	ZINC000301854650	278246705	/nfs/dbraw/zinc/24/67/05/278246705.db2.gz	HMQGBULFRIEAHL-GFCCVEGCSA-N	0	0	305.334	2.032	10	5		DEBERN
C[C@@H]1C[C@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000171071013	279008463	/nfs/dbraw/zinc/00/84/63/279008463.db2.gz	APJINFFMCAHQCB-DGCLKSJQSA-N	0	0	303.362	2.336	10	5		DEBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@]2(CC=CCC2)C1	ZINC000114437029	279109284	/nfs/dbraw/zinc/10/92/84/279109284.db2.gz	VOAFQWLBGPZNIB-MRXNPFEDSA-N	0	0	318.377	2.449	10	5		DEBERN
Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(C)cc([N+](=O)[O-])c1	ZINC000177723839	279136504	/nfs/dbraw/zinc/13/65/04/279136504.db2.gz	JZWZJQPHYRHPQZ-CYBMUJFWSA-N	0	0	315.333	2.068	10	5		DEBERN
Cc1c(C(=O)N2CCOCC[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000374985544	280208241	/nfs/dbraw/zinc/20/82/41/280208241.db2.gz	ZCODMVBBVURYIL-VIFPVBQESA-N	0	0	323.305	2.062	10	5		DEBERN
O=C(NC1CC1)c1ccc(N2CCCSCC2)c([N+](=O)[O-])c1	ZINC000264822431	295606914	/nfs/dbraw/zinc/60/69/14/295606914.db2.gz	GGTWKPURKWAYJT-UHFFFAOYSA-N	0	0	321.402	2.430	10	5		DEBERN
CNc1c(C(=O)NCCOCC2CCC2)cccc1[N+](=O)[O-]	ZINC000584146887	331842435	/nfs/dbraw/zinc/84/24/35/331842435.db2.gz	ZLCYETWIULWJRX-UHFFFAOYSA-N	0	0	307.350	2.183	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CCn3c(nnc3C3CC3)C2)n1	ZINC000582379564	336951953	/nfs/dbraw/zinc/95/19/53/336951953.db2.gz	LXXKPBDTZHXQRA-UHFFFAOYSA-N	0	0	314.349	2.096	10	5		DEBERN
CCOC(=O)[C@](O)(c1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000584595606	337374029	/nfs/dbraw/zinc/37/40/29/337374029.db2.gz	QTHQRKZCQRJKFG-INIZCTEOSA-N	0	0	301.298	2.394	10	5		DEBERN
COc1ccc(OCC(=O)NC2CCCCC2)c([N+](=O)[O-])c1	ZINC000007035615	524932081	/nfs/dbraw/zinc/93/20/81/524932081.db2.gz	PEFDQNXXJIZZAM-UHFFFAOYSA-N	0	0	308.334	2.431	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(CC(=O)N[C@H](C)CCCC(C)C)c1=O	ZINC000155912822	525572570	/nfs/dbraw/zinc/57/25/70/525572570.db2.gz	HEHNHJYLDPLXBZ-CYBMUJFWSA-N	0	0	323.393	2.396	10	5		DEBERN
CC(=O)c1ccc(NCc2cc(C(N)=O)co2)c([N+](=O)[O-])c1	ZINC000302431662	527316345	/nfs/dbraw/zinc/31/63/45/527316345.db2.gz	OTMNXLGBLFTXBF-UHFFFAOYSA-N	0	0	303.274	2.101	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](O)CC1	ZINC000294856370	527527025	/nfs/dbraw/zinc/52/70/25/527527025.db2.gz	NTRDZDUVHBNAKH-RUMSDORHSA-N	0	0	304.346	2.372	10	5		DEBERN
CC(C)c1nc([C@H]2CCCN2c2c([N+](=O)[O-])ncn2C)no1	ZINC000299576262	528320619	/nfs/dbraw/zinc/32/06/19/528320619.db2.gz	BLRXXNFHLGKSTP-SECBINFHSA-N	0	0	306.326	2.176	10	5		DEBERN
CCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])c1nc(C)cs1	ZINC000191628177	529104606	/nfs/dbraw/zinc/10/46/06/529104606.db2.gz	HZRTVRLLCQECTJ-UHFFFAOYSA-N	0	0	309.351	2.243	10	5		DEBERN
CCSCC[C@H](C)N(C)C(=O)c1nn(CC)cc1[N+](=O)[O-]	ZINC000191647531	529190773	/nfs/dbraw/zinc/19/07/73/529190773.db2.gz	KBXCJPULZQGMBQ-JTQLQIEISA-N	0	0	314.411	2.415	10	5		DEBERN
CCOc1cc(OCc2nsc(N(C)C)n2)ccc1[N+](=O)[O-]	ZINC000188592477	535688272	/nfs/dbraw/zinc/68/82/72/535688272.db2.gz	YMEGFFCDVBQJMN-UHFFFAOYSA-N	0	0	324.362	2.490	10	5		DEBERN
CC(=O)c1cc([N+](=O)[O-])ccc1N1CCO[C@H](C(F)F)C1	ZINC000804694751	623163799	/nfs/dbraw/zinc/16/37/99/623163799.db2.gz	UYRDPGDXZRLTHH-LBPRGKRZSA-N	0	0	300.261	2.268	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)n1ccccc1=NC(C)C	ZINC000255132331	623562075	/nfs/dbraw/zinc/56/20/75/623562075.db2.gz	FKRSANVMGYILPM-UHFFFAOYSA-N	0	0	300.318	2.097	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](O)c1ccccc1	ZINC000066290315	625078811	/nfs/dbraw/zinc/07/88/11/625078811.db2.gz	XTSHSTMXMBDRNZ-OAHLLOKOSA-N	0	0	300.314	2.367	10	5		DEBERN
C[C@H]1CO[C@H](c2ccccc2)CN1Cn1cc([N+](=O)[O-])cn1	ZINC000066795049	625838767	/nfs/dbraw/zinc/83/87/67/625838767.db2.gz	XLVKTUPMSUQQDB-WFASDCNBSA-N	0	0	302.334	2.211	10	5		DEBERN
COC(=O)[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C	ZINC000227751109	636613966	/nfs/dbraw/zinc/61/39/66/636613966.db2.gz	UGRUGHLDGMGEJM-JOYOIKCWSA-N	0	0	312.753	2.489	10	5		DEBERN
O=[N+]([O-])c1ccnn1CN1CCC[C@H]1c1ccc2c(c1)OCO2	ZINC000102921164	650290374	/nfs/dbraw/zinc/29/03/74/650290374.db2.gz	RYJFIOCKALATIR-LBPRGKRZSA-N	0	0	316.317	2.315	10	5		DEBERN
COCCc1noc(CN2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)n1	ZINC000103464271	637885912	/nfs/dbraw/zinc/88/59/12/637885912.db2.gz	KJSLLMNTECIDCW-JTQLQIEISA-N	0	0	318.333	2.118	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C(=O)N(C)C)C(C)C)c1	ZINC000745389187	638261845	/nfs/dbraw/zinc/26/18/45/638261845.db2.gz	YCBIXXAZIIAQKU-ZDUSSCGKSA-N	0	0	308.334	2.173	10	5		DEBERN
Cc1cc(Cl)c(S(=O)(=O)NC[C@@H]2C[C@H]2C)cc1[N+](=O)[O-]	ZINC000752234948	639165681	/nfs/dbraw/zinc/16/56/81/639165681.db2.gz	OLDPSZMINVRSRP-APPZFPTMSA-N	0	0	318.782	2.491	10	5		DEBERN
C/C(=C\C(=O)NC[C@@H]1CCC[C@H]1O)c1ccc([N+](=O)[O-])cc1	ZINC000752481928	639188677	/nfs/dbraw/zinc/18/86/77/639188677.db2.gz	TVXIBYBLDARRHG-ODLGNMLASA-N	0	0	304.346	2.275	10	5		DEBERN
C/C(=C/C(=O)N[C@H](CCO)C1CC1)c1ccc([N+](=O)[O-])cc1	ZINC000752581053	639199608	/nfs/dbraw/zinc/19/96/08/639199608.db2.gz	MRKPFCFWWWZNLV-JQPIKURYSA-N	0	0	304.346	2.275	10	5		DEBERN
C/C(=C/C(=O)N1CCC(CO)CC1)c1ccc([N+](=O)[O-])cc1	ZINC000752619314	639203067	/nfs/dbraw/zinc/20/30/67/639203067.db2.gz	RGDFOVZVUBWKIO-BENRWUELSA-N	0	0	304.346	2.229	10	5		DEBERN
O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCO[C@H](C(F)F)C1	ZINC000800908730	645319564	/nfs/dbraw/zinc/31/95/64/645319564.db2.gz	ZGODIQPHPNWAGZ-JTQLQIEISA-N	0	0	319.239	2.232	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCn2ccnc2C1	ZINC000168630681	646593283	/nfs/dbraw/zinc/59/32/83/646593283.db2.gz	UVVDRRNVWFHMJG-UHFFFAOYSA-N	0	0	306.709	2.101	10	5		DEBERN
CC[C@@H](CCO)Nc1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-]	ZINC000172642152	646745870	/nfs/dbraw/zinc/74/58/70/646745870.db2.gz	FJZSLNWYCDQIFE-HWPRWLFBSA-N	0	0	308.334	2.354	10	5		DEBERN
CCO[C@H]1C[C@@H](OC(=O)Cn2cc([N+](=O)[O-])cn2)C12CCCC2	ZINC000172672617	646746769	/nfs/dbraw/zinc/74/67/69/646746769.db2.gz	IITMFFNBECKGCH-QWHCGFSZSA-N	0	0	323.349	2.072	10	5		DEBERN
CCOc1ccc(C(=O)O[C@H]2C(=O)OCC2(C)C)cc1[N+](=O)[O-]	ZINC000731549692	647492313	/nfs/dbraw/zinc/49/23/13/647492313.db2.gz	OBZMCOAXANHNMN-LBPRGKRZSA-N	0	0	323.301	2.102	10	5		DEBERN
COC(=O)c1ccc(OCC2(O)CCCCC2)c([N+](=O)[O-])c1	ZINC000153641782	647589043	/nfs/dbraw/zinc/58/90/43/647589043.db2.gz	ZUMOVZCVRXVYBC-UHFFFAOYSA-N	0	0	309.318	2.455	10	5		DEBERN
Cc1ccc([C@H](C)OC(=O)CCCCNC(N)=O)cc1[N+](=O)[O-]	ZINC000119052121	684076354	/nfs/dbraw/zinc/07/63/54/684076354.db2.gz	ONYHOBWVGYUEIS-NSHDSACASA-N	0	0	323.349	2.346	10	5		DEBERN
CC(C)c1nc(C2(NCn3nccc3[N+](=O)[O-])CCCC2)no1	ZINC000132188574	684206638	/nfs/dbraw/zinc/20/66/38/684206638.db2.gz	BLQZOLPZIIQQDY-UHFFFAOYSA-N	0	0	320.353	2.314	10	5		DEBERN
CC(C)c1nnc(CN2CCc3cc([N+](=O)[O-])ccc32)n1C	ZINC000194986506	685083356	/nfs/dbraw/zinc/08/33/56/685083356.db2.gz	GOGCPMGMBGUHLT-UHFFFAOYSA-N	0	0	301.350	2.409	10	5		DEBERN
Cc1cc(CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)no1	ZINC000050707187	783633158	/nfs/dbraw/zinc/63/31/58/783633158.db2.gz	AOSXOOVSFMODPZ-UHFFFAOYSA-N	0	0	310.697	2.057	10	5		DEBERN
C[C@@H](Cn1ccnc1)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000038103192	1078217139	/nfs/dbraw/zinc/21/71/39/1078217139.db2.gz	KDXJQNSPVFFEME-VIFPVBQESA-N	0	0	308.725	2.263	10	5		DEBERN
COC(=O)[C@@H](C)NCc1ccc(Br)cc1[N+](=O)[O-]	ZINC000162149331	197548242	/nfs/dbraw/zinc/54/82/42/197548242.db2.gz	DPBZVSXFLKGFCY-SSDOTTSWSA-N	0	0	317.139	2.008	10	5		DEBERN
CSCC[C@@H](C)N(C)C(=O)c1cccc(NN)c1[N+](=O)[O-]	ZINC000162226157	197553589	/nfs/dbraw/zinc/55/35/89/197553589.db2.gz	HEUBATKUJMJBHS-SECBINFHSA-N	0	0	312.395	2.094	10	5		DEBERN
Cc1ccccc1NC(=O)Cn1cc([N+](=O)[O-])cc(C)c1=O	ZINC000096778122	185387076	/nfs/dbraw/zinc/38/70/76/185387076.db2.gz	FTRXLBBGUHJKBU-UHFFFAOYSA-N	0	0	301.302	2.012	10	5		DEBERN
CCc1ccccc1CNC(=O)c1nn(CC)cc1[N+](=O)[O-]	ZINC000191630297	529584663	/nfs/dbraw/zinc/58/46/63/529584663.db2.gz	QLUWZPAOCJZMTE-UHFFFAOYSA-N	0	0	302.334	2.304	10	5		DEBERN
CC[C@H](NC(=O)C[C@H]1COC(=O)C1)c1cccc([N+](=O)[O-])c1	ZINC000090466330	185297874	/nfs/dbraw/zinc/29/78/74/185297874.db2.gz	SGTHTZGFPHIRPG-MFKMUULPSA-N	0	0	306.318	2.115	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]2c2ccccc2F)cc1	ZINC000090558666	185303508	/nfs/dbraw/zinc/30/35/08/185303508.db2.gz	SETPGWQMFPPCFR-IURRXHLWSA-N	0	0	322.317	2.480	10	5		DEBERN
CCC1(CC)CN(c2nc(C)ccc2[N+](=O)[O-])CC[S@@]1=O	ZINC000184350300	282252774	/nfs/dbraw/zinc/25/27/74/282252774.db2.gz	CGWCBMXOWWUXJU-NRFANRHFSA-N	0	0	311.407	2.426	10	5		DEBERN
O=[N+]([O-])c1cccc2ncnc(N3CCO[C@H](C4CC4)C3)c21	ZINC000614410106	362375161	/nfs/dbraw/zinc/37/51/61/362375161.db2.gz	XSXFXDUQCFNBSW-ZDUSSCGKSA-N	0	0	300.318	2.153	10	5		DEBERN
CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C(=O)N(C)C)CC1	ZINC000286923943	219227538	/nfs/dbraw/zinc/22/75/38/219227538.db2.gz	LAGXJPXUEPGSIL-UHFFFAOYSA-N	0	0	319.361	2.102	10	5		DEBERN
CNc1ccc([N+](=O)[O-])cc1Cn1cc(Cl)c([N+](=O)[O-])n1	ZINC000070217600	190872770	/nfs/dbraw/zinc/87/27/70/190872770.db2.gz	WPQJOIQBAOTLRU-UHFFFAOYSA-N	0	0	311.685	2.443	10	5		DEBERN
C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H](C)N1C	ZINC000141957671	186031532	/nfs/dbraw/zinc/03/15/32/186031532.db2.gz	GIFIEWGUJGSYRG-NXEZZACHSA-N	0	0	311.769	2.413	10	5		DEBERN
O=[N+]([O-])c1cc(Br)ccc1NN1CCOCC1	ZINC000148509628	186044993	/nfs/dbraw/zinc/04/49/93/186044993.db2.gz	RFWIIFVVMAFOFN-UHFFFAOYSA-N	0	0	302.128	2.016	10	5		DEBERN
Cc1cc(S(=O)(=O)NOC(C)(C)C)cc([N+](=O)[O-])c1C	ZINC000148799893	186046039	/nfs/dbraw/zinc/04/60/39/186046039.db2.gz	BYGNUUCJTGSOQY-UHFFFAOYSA-N	0	0	302.352	2.220	10	5		DEBERN
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1C[C@H]2CCC[C@@H]2C1	ZINC000152573351	186086258	/nfs/dbraw/zinc/08/62/58/186086258.db2.gz	WBSIJXZRZNOPMR-NXEZZACHSA-N	0	0	314.338	2.155	10	5		DEBERN
Cc1cc(C)n(CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)n1	ZINC000171446703	186161160	/nfs/dbraw/zinc/16/11/60/186161160.db2.gz	MXKWUVUWBNNIDE-GFCCVEGCSA-N	0	0	314.345	2.386	10	5		DEBERN
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCCC[C@H]1c1nccs1	ZINC000172215177	198059698	/nfs/dbraw/zinc/05/96/98/198059698.db2.gz	CYLDLADSCJHWML-NSHDSACASA-N	0	0	321.362	2.002	10	5		DEBERN
Cn1cc([C@H]2CCN(C(=O)c3csc([N+](=O)[O-])c3)C2)cn1	ZINC000172258980	198066637	/nfs/dbraw/zinc/06/66/37/198066637.db2.gz	AWZIBYJCFGDAJC-VIFPVBQESA-N	0	0	306.347	2.020	10	5		DEBERN
CC(=O)N1CCC[C@H](CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1	ZINC000280132730	215399027	/nfs/dbraw/zinc/39/90/27/215399027.db2.gz	BHBRZQSQHJMZGH-LLVKDONJSA-N	0	0	317.349	2.142	10	5		DEBERN
CCC(CC)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000070828095	354888677	/nfs/dbraw/zinc/88/86/77/354888677.db2.gz	FHZCTOISWPMOAW-UHFFFAOYSA-N	0	0	302.352	2.070	10	5		DEBERN
CC(C)OC(=O)N1CCC(Nc2ccncc2[N+](=O)[O-])CC1	ZINC000075137745	355071429	/nfs/dbraw/zinc/07/14/29/355071429.db2.gz	BMNUJJJHKDUEHL-UHFFFAOYSA-N	0	0	308.338	2.411	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCSCC1	ZINC000075788951	355107100	/nfs/dbraw/zinc/10/71/00/355107100.db2.gz	DXKDQXFCDIYVJQ-UHFFFAOYSA-N	0	0	316.404	2.031	10	5		DEBERN
CS(=O)(=O)c1ccc(N2C[C@@H]3CC=CC[C@H]3C2)c([N+](=O)[O-])c1	ZINC000078371571	355257178	/nfs/dbraw/zinc/25/71/78/355257178.db2.gz	SUNQUIZNKSRAGS-RYUDHWBXSA-N	0	0	322.386	2.401	10	5		DEBERN
O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000093585018	355684657	/nfs/dbraw/zinc/68/46/57/355684657.db2.gz	FWBMDBCPNXKQRI-CZUORRHYSA-N	0	0	306.362	2.427	10	5		DEBERN
CCc1n[nH]c(C(=O)NCC=Cc2ccccc2)c1[N+](=O)[O-]	ZINC000255843909	356338265	/nfs/dbraw/zinc/33/82/65/356338265.db2.gz	KSYYDPYHACOADB-TWGQIWQCSA-N	0	0	300.318	2.324	10	5		DEBERN
Cc1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000005678202	181271502	/nfs/dbraw/zinc/27/15/02/181271502.db2.gz	APNJAFSQHXBUBX-RKDXNWHRSA-N	0	0	323.305	2.061	10	5		DEBERN
C[C@@H](C(=O)N(C)Cc1cnccn1)c1cccc([N+](=O)[O-])c1	ZINC000581641724	357219605	/nfs/dbraw/zinc/21/96/05/357219605.db2.gz	HJRXVBAUYLAARU-LLVKDONJSA-N	0	0	300.318	2.147	10	5		DEBERN
CCOC(=O)[C@H](C(=O)OC(C)(C)C)c1cnc([N+](=O)[O-])cc1C	ZINC000584643373	357290637	/nfs/dbraw/zinc/29/06/37/357290637.db2.gz	DVPTZUJCSXXXFM-GFCCVEGCSA-N	0	0	324.333	2.287	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H](C3N=NC(=O)O3)C2)n1	ZINC000585702005	357347316	/nfs/dbraw/zinc/34/73/16/357347316.db2.gz	ZTMIRMNSFRLHQI-JTQLQIEISA-N	0	0	319.321	2.079	10	5		DEBERN
CC(=O)c1ccc(NCC(C)(C)[C@]2(O)CCOC2)c([N+](=O)[O-])c1	ZINC000591988125	357810903	/nfs/dbraw/zinc/81/09/03/357810903.db2.gz	PFWRTKZAERTOCK-INIZCTEOSA-N	0	0	322.361	2.387	10	5		DEBERN
CC[C@@H](NCc1nc(COC)no1)c1cccc([N+](=O)[O-])c1	ZINC000180264453	199139189	/nfs/dbraw/zinc/13/91/89/199139189.db2.gz	PMYBSTUWGKKJKP-GFCCVEGCSA-N	0	0	306.322	2.365	10	5		DEBERN
Cc1c(C(=O)N2CCCC[C@H]2c2nc[nH]n2)cccc1[N+](=O)[O-]	ZINC000181177906	199261386	/nfs/dbraw/zinc/26/13/86/199261386.db2.gz	NWIZLHPKQNGGJN-ZDUSSCGKSA-N	0	0	315.333	2.389	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NC/C=C\c2ccccc2)n1	ZINC000427378867	236932642	/nfs/dbraw/zinc/93/26/42/236932642.db2.gz	FIPSFUJADLVZKT-TWGQIWQCSA-N	0	0	300.318	2.254	10	5		DEBERN
COc1ccc(C(=O)N(C)[C@@H](CO)CC(C)C)cc1[N+](=O)[O-]	ZINC000187123782	200065208	/nfs/dbraw/zinc/06/52/08/200065208.db2.gz	WZMAIQHOYHLTPA-GFCCVEGCSA-N	0	0	310.350	2.082	10	5		DEBERN
CC(=O)CCCc1cn(Cc2ccc(F)cc2[N+](=O)[O-])nn1	ZINC000603224586	360754531	/nfs/dbraw/zinc/75/45/31/360754531.db2.gz	RGWUGJQROKOKGN-UHFFFAOYSA-N	0	0	306.297	2.285	10	5		DEBERN
CN(C)c1noc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1	ZINC000193001631	200975811	/nfs/dbraw/zinc/97/58/11/200975811.db2.gz	VRFADEAYABVNHE-UHFFFAOYSA-N	0	0	317.349	2.208	10	5		DEBERN
C[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])c1ccncc1	ZINC000610525955	361417001	/nfs/dbraw/zinc/41/70/01/361417001.db2.gz	BULLUVQJYUXBDJ-GFCCVEGCSA-N	0	0	314.345	2.322	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)n1	ZINC000611616906	361645349	/nfs/dbraw/zinc/64/53/49/361645349.db2.gz	UUYCADYZVNVQGJ-AXTRIDKLSA-N	0	0	304.350	2.028	10	5		DEBERN
COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]([C@@H]3CCOC3)C2)c1	ZINC000611762158	361675887	/nfs/dbraw/zinc/67/58/87/361675887.db2.gz	PQHAULYXCBFTNC-CHWSQXEVSA-N	0	0	320.345	2.244	10	5		DEBERN
COC(=O)c1ccc([N+](=O)[O-])c(N2CCO[C@H](C(C)C)C2)c1	ZINC000611764997	361676968	/nfs/dbraw/zinc/67/69/68/361676968.db2.gz	YNEVQRKXYGWIHD-AWEZNQCLSA-N	0	0	308.334	2.243	10	5		DEBERN
Cn1cc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)nn1	ZINC000611930457	361706558	/nfs/dbraw/zinc/70/65/58/361706558.db2.gz	HCSWRPITOHEYLX-UHFFFAOYSA-N	0	0	313.317	2.273	10	5		DEBERN
CC(=O)N1CCC[C@H](C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])C1	ZINC000271795726	209223259	/nfs/dbraw/zinc/22/32/59/209223259.db2.gz	LEWPXBKTVAGLRO-YPMHNXCESA-N	0	0	319.361	2.031	10	5		DEBERN
CCc1[nH]nc(C(=O)Nc2ccc3c(C)n[nH]c3c2)c1[N+](=O)[O-]	ZINC000092139814	193167308	/nfs/dbraw/zinc/16/73/08/193167308.db2.gz	ZEZQZSOINOUYDM-UHFFFAOYSA-N	0	0	314.305	2.317	10	5		DEBERN
CC[C@@H](C)CN(CC)S(=O)(=O)c1cc(N)ccc1[N+](=O)[O-]	ZINC000093265193	193223229	/nfs/dbraw/zinc/22/32/29/193223229.db2.gz	AMLWUUCNCDBWHB-SNVBAGLBSA-N	0	0	315.395	2.234	10	5		DEBERN
COc1cc([N+](=O)[O-])ccc1NCc1cc(C(N)=O)cs1	ZINC000093686467	193290219	/nfs/dbraw/zinc/29/02/19/193290219.db2.gz	GSSQGOPTHZQWHB-UHFFFAOYSA-N	0	0	307.331	2.376	10	5		DEBERN
[NH3+][C@]1(C(=O)[O-])CCC[C@H](Oc2cc([N+](=O)[O-])ccc2Cl)C1	ZINC000093775525	193304714	/nfs/dbraw/zinc/30/47/14/193304714.db2.gz	PVRWNGMCDVKEPQ-TVQRCGJNSA-N	0	0	314.725	2.352	10	5		DEBERN
[NH3+][C@@]1(C(=O)[O-])CCC[C@H](Oc2cc([N+](=O)[O-])ccc2Cl)C1	ZINC000093775527	193305103	/nfs/dbraw/zinc/30/51/03/193305103.db2.gz	PVRWNGMCDVKEPQ-ZANVPECISA-N	0	0	314.725	2.352	10	5		DEBERN
O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1cn[nH]c1	ZINC000094188894	193347641	/nfs/dbraw/zinc/34/76/41/193347641.db2.gz	MMHKOECDJMETIQ-UHFFFAOYSA-N	0	0	311.095	2.333	10	5		DEBERN
CCC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(NC)cc1C	ZINC000094780364	193397651	/nfs/dbraw/zinc/39/76/51/193397651.db2.gz	BQBRPRLYDNXFTG-SNVBAGLBSA-N	0	0	315.395	2.412	10	5		DEBERN
CNc1cc(C)c(S(=O)(=O)N[C@H](C)C2CC2)cc1[N+](=O)[O-]	ZINC000094780528	193397988	/nfs/dbraw/zinc/39/79/88/193397988.db2.gz	HEYCNBILIOPRJK-SECBINFHSA-N	0	0	313.379	2.022	10	5		DEBERN
COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1csc([N+](=O)[O-])c1	ZINC000248794829	284209833	/nfs/dbraw/zinc/20/98/33/284209833.db2.gz	FAMCDISKKQMPSZ-XRNSZHNASA-N	0	0	324.358	2.070	10	5		DEBERN
COC(=O)CCCCCNC(=O)c1cccc([N+](=O)[O-])c1C	ZINC000024062121	182374657	/nfs/dbraw/zinc/37/46/57/182374657.db2.gz	DHFXCYGZEBYPFX-UHFFFAOYSA-N	0	0	308.334	2.366	10	5		DEBERN
Cc1ccc(CN(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])o1	ZINC000023994270	182371759	/nfs/dbraw/zinc/37/17/59/182371759.db2.gz	JENNQBYBEKAGLX-UHFFFAOYSA-N	0	0	310.331	2.317	10	5		DEBERN
COC(=O)CCOc1c(Br)cc(F)cc1[N+](=O)[O-]	ZINC000036969783	182857354	/nfs/dbraw/zinc/85/73/54/182857354.db2.gz	ZENVYVWHJRZGHH-UHFFFAOYSA-N	0	0	322.086	2.438	10	5		DEBERN
C[C@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000037911745	182936351	/nfs/dbraw/zinc/93/63/51/182936351.db2.gz	ABZHBCPAEXYVSD-QMMMGPOBSA-N	0	0	304.755	2.421	10	5		DEBERN
Cc1cc(C)n(-c2ncnc(NCc3ccco3)c2[N+](=O)[O-])n1	ZINC000040645580	183113705	/nfs/dbraw/zinc/11/37/05/183113705.db2.gz	CYNPNKRRUSKDTR-UHFFFAOYSA-N	0	0	314.305	2.392	10	5		DEBERN
O=[N+]([O-])c1c(NCCc2ccccc2)ncnc1-n1ccnc1	ZINC000040610361	183108774	/nfs/dbraw/zinc/10/87/74/183108774.db2.gz	ADYXFYNGYCXTPC-UHFFFAOYSA-N	0	0	310.317	2.225	10	5		DEBERN
CN(C)N=c1nc[nH]c(Nc2cccnc2Cl)c1[N+](=O)[O-]	ZINC000040629033	183110554	/nfs/dbraw/zinc/11/05/54/183110554.db2.gz	BWTKHDXWVDXXTM-UHFFFAOYSA-N	0	0	309.717	2.065	10	5		DEBERN
Nc1cc(=O)[nH]c(SCc2cc([N+](=O)[O-])ccc2Cl)n1	ZINC000041027068	183157817	/nfs/dbraw/zinc/15/78/17/183157817.db2.gz	ZQCFRKZWTXWGMR-UHFFFAOYSA-N	0	0	312.738	2.206	10	5		DEBERN
O=[N+]([O-])c1c(N(CCO)C2CCCCC2)nc2sccn21	ZINC000042525775	183280203	/nfs/dbraw/zinc/28/02/03/183280203.db2.gz	BSTBJHDMRIDCRA-UHFFFAOYSA-N	0	0	310.379	2.435	10	5		DEBERN
COC(=O)CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)C	ZINC000042712532	183301183	/nfs/dbraw/zinc/30/11/83/183301183.db2.gz	MGECWWCETQOQNO-UHFFFAOYSA-N	0	0	314.725	2.272	10	5		DEBERN
CCOc1ccc(C(=O)N[C@@H](C)c2nnc(C)o2)cc1[N+](=O)[O-]	ZINC000532904901	284739836	/nfs/dbraw/zinc/73/98/36/284739836.db2.gz	KPUULMFBHCYLON-QMMMGPOBSA-N	0	0	320.305	2.176	10	5		DEBERN
CCNc1ccc(S(=O)(=O)N2CC[C@H](C)C2)cc1[N+](=O)[O-]	ZINC000050669588	183796659	/nfs/dbraw/zinc/79/66/59/183796659.db2.gz	UZMSVDGUPPDPLC-JTQLQIEISA-N	0	0	313.379	2.057	10	5		DEBERN
CC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC)C(C)C	ZINC000050671501	183797658	/nfs/dbraw/zinc/79/76/58/183797658.db2.gz	XUSSCDKKVZSVAM-NSHDSACASA-N	0	0	315.395	2.349	10	5		DEBERN
CNc1c(Cl)cc(C(=O)NC2CCOCC2)cc1[N+](=O)[O-]	ZINC000050756470	183802467	/nfs/dbraw/zinc/80/24/67/183802467.db2.gz	XROXPXRKCCXIQH-UHFFFAOYSA-N	0	0	313.741	2.199	10	5		DEBERN
COC(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1	ZINC000052973841	183882467	/nfs/dbraw/zinc/88/24/67/183882467.db2.gz	YUHHUQDPAUWWIY-LLVKDONJSA-N	0	0	318.285	2.222	10	5		DEBERN
CC[C@H](C)CNC(=O)c1cc(Cl)c(NN)c([N+](=O)[O-])c1	ZINC000054492767	183941958	/nfs/dbraw/zinc/94/19/58/183941958.db2.gz	WECKLUMMYRCAOT-ZETCQYMHSA-N	0	0	300.746	2.310	10	5		DEBERN
O=c1c2ccccc2c2ccccc2c(=O)n1CCn1ccnc1	ZINC000058826060	184129569	/nfs/dbraw/zinc/12/95/69/184129569.db2.gz	JHKAPSWTXZPFDQ-UHFFFAOYSA-N	0	0	317.348	2.412	10	5		DEBERN
CC(=O)N1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1	ZINC000535720200	284905974	/nfs/dbraw/zinc/90/59/74/284905974.db2.gz	WMKRMAZIQZANGV-UHFFFAOYSA-N	0	0	314.345	2.202	10	5		DEBERN
CCC[NH2+][C@@H](CCOc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000062539614	184241618	/nfs/dbraw/zinc/24/16/18/184241618.db2.gz	FPSGACRKSCCSFI-NSHDSACASA-N	0	0	316.741	2.470	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C(=O)N2CCCCC2)c1	ZINC000173181701	207360447	/nfs/dbraw/zinc/36/04/47/207360447.db2.gz	WJUNEXGMRZNFLZ-GFCCVEGCSA-N	0	0	319.361	2.034	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NC(C)(C)c1nccs1	ZINC000116143533	194720151	/nfs/dbraw/zinc/72/01/51/194720151.db2.gz	FQSDVCXJGHEWKA-UHFFFAOYSA-N	0	0	306.347	2.420	10	5		DEBERN
CS(=O)(=O)CCc1ccc(Nc2ncccc2[N+](=O)[O-])cc1	ZINC000120153256	195106865	/nfs/dbraw/zinc/10/68/65/195106865.db2.gz	BCOKYJQDINFHJR-UHFFFAOYSA-N	0	0	321.358	2.321	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)NCCC2=CCCC2)s1	ZINC000159071662	197324505	/nfs/dbraw/zinc/32/45/05/197324505.db2.gz	PSZYQZNRAXXLAQ-UHFFFAOYSA-N	0	0	302.377	2.435	10	5		DEBERN
C[C@H]1OCC[C@@H]1N(C)C(=O)c1cc(F)c(F)cc1[N+](=O)[O-]	ZINC000159064183	197323337	/nfs/dbraw/zinc/32/33/37/197323337.db2.gz	VHMYEARTGYVUOZ-HQJQHLMTSA-N	0	0	300.261	2.122	10	5		DEBERN
CNC(=O)c1cc([N+](=O)[O-])ccc1NCCC1=CCOCC1	ZINC000158089110	197242335	/nfs/dbraw/zinc/24/23/35/197242335.db2.gz	ARJIFTGRQOEIAR-UHFFFAOYSA-N	0	0	305.334	2.103	10	5		DEBERN
O=[N+]([O-])c1ccc(-c2nnc(I)o2)cc1	ZINC000157935520	197228509	/nfs/dbraw/zinc/22/85/09/197228509.db2.gz	ULDZJSJVCFINNZ-UHFFFAOYSA-N	0	0	317.042	2.249	10	5		DEBERN
CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC(C)(C)C	ZINC000157266649	197174979	/nfs/dbraw/zinc/17/49/79/197174979.db2.gz	CHWQYDLGXHHENV-UHFFFAOYSA-N	0	0	315.395	2.351	10	5		DEBERN
CNc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC1CCC1	ZINC000157240256	197172722	/nfs/dbraw/zinc/17/27/22/197172722.db2.gz	VPWWKZBGHWNSPO-UHFFFAOYSA-N	0	0	313.379	2.105	10	5		DEBERN
CSC[C@H](C)CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000157196450	197169305	/nfs/dbraw/zinc/16/93/05/197169305.db2.gz	DSWVCABJTFNIHC-MRVPVSSYSA-N	0	0	322.383	2.011	10	5		DEBERN
Cc1ncsc1CN(C)C(=O)c1cccc(N)c1[N+](=O)[O-]	ZINC000157034859	197157150	/nfs/dbraw/zinc/15/71/50/197157150.db2.gz	MPXKXAZOVNJBHG-UHFFFAOYSA-N	0	0	306.347	2.214	10	5		DEBERN
CNc1cccc(C(=O)NCc2nc(C)cs2)c1[N+](=O)[O-]	ZINC000156975877	197153799	/nfs/dbraw/zinc/15/37/99/197153799.db2.gz	RXLKWJXZNIAVOB-UHFFFAOYSA-N	0	0	306.347	2.331	10	5		DEBERN
O=c1ccc2c(I)c([N+](=O)[O-])ccc2o1	ZINC000114999317	285221363	/nfs/dbraw/zinc/22/13/63/285221363.db2.gz	FXIZMDFKRKHHGE-UHFFFAOYSA-N	0	0	317.038	2.306	10	5		DEBERN
O=C([O-])CCC[NH2+]Cc1cc(Br)ccc1[N+](=O)[O-]	ZINC000122070118	195397557	/nfs/dbraw/zinc/39/75/57/195397557.db2.gz	WHSONCMDEOSYEQ-UHFFFAOYSA-N	0	0	317.139	2.312	10	5		DEBERN
COc1cc(N[C@@H]2CCc3nc(C)nn3C2)c([N+](=O)[O-])cc1F	ZINC000124801669	195680421	/nfs/dbraw/zinc/68/04/21/195680421.db2.gz	ZIFGFPGDZXWNQP-SECBINFHSA-N	0	0	321.312	2.069	10	5		DEBERN
COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](C)[C@H](OC)C2)c1	ZINC000302532142	292017610	/nfs/dbraw/zinc/01/76/10/292017610.db2.gz	FPDYCZZMUVNTOU-QMTHXVAHSA-N	0	0	308.334	2.243	10	5		DEBERN
Cc1sc(S(=O)(=O)NCCCC2CC2)cc1[N+](=O)[O-]	ZINC000547347781	285562060	/nfs/dbraw/zinc/56/20/60/285562060.db2.gz	BCBQQQABDKYECT-UHFFFAOYSA-N	0	0	304.393	2.433	10	5		DEBERN
CCc1n[nH]c(C(=O)NC[C@@H]2C[C@@H]2c2ccccc2)c1[N+](=O)[O-]	ZINC000171878387	144813586	/nfs/dbraw/zinc/81/35/86/144813586.db2.gz	YRDLYRRXNSHNBH-NWDGAFQWSA-N	0	0	314.345	2.414	10	5		DEBERN
Cc1nnc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)n1C1CC1	ZINC000183421943	144928794	/nfs/dbraw/zinc/92/87/94/144928794.db2.gz	QIYLMQFGFQRTDJ-UHFFFAOYSA-N	0	0	315.333	2.068	10	5		DEBERN
CC(C)c1nc2n(n1)C[C@@H](Nc1ncc([N+](=O)[O-])s1)CC2	ZINC000192451532	145073975	/nfs/dbraw/zinc/07/39/75/145073975.db2.gz	LKCIDDBIQCLZAU-QMMMGPOBSA-N	0	0	308.367	2.193	10	5		DEBERN
Cc1nc(CN(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)no1	ZINC000358509184	147148140	/nfs/dbraw/zinc/14/81/40/147148140.db2.gz	OSYIMFFQNGYYQQ-UHFFFAOYSA-N	0	0	316.273	2.305	10	5		DEBERN
C[C@H]1CCOCCN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1	ZINC000368065867	147824934	/nfs/dbraw/zinc/82/49/34/147824934.db2.gz	XAZYTIYZIVMVSH-JTQLQIEISA-N	0	0	314.288	2.324	10	5		DEBERN
O=[N+]([O-])c1ccc(N2CC[C@@H](c3nc(C4CC4)no3)C2)nc1	ZINC000375258873	148349118	/nfs/dbraw/zinc/34/91/18/148349118.db2.gz	SOWZDFYJXSZZAQ-SNVBAGLBSA-N	0	0	301.306	2.244	10	5		DEBERN
O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000127568079	401740502	/nfs/dbraw/zinc/74/05/02/401740502.db2.gz	FWCPFHAZIQBXGR-WBMJQRKESA-N	0	0	304.346	2.362	10	5		DEBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1C[C@@H]1c1ccccc1	ZINC000110453457	401690893	/nfs/dbraw/zinc/69/08/93/401690893.db2.gz	PEABQRFJAGOIGY-ZIAGYGMSSA-N	0	0	314.345	2.020	10	5		DEBERN
COc1cc(CN(C)C[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC	ZINC000128044634	401760722	/nfs/dbraw/zinc/76/07/22/401760722.db2.gz	TVHUVUMMFXIDNJ-LBPRGKRZSA-N	0	0	310.350	2.223	10	5		DEBERN
CCN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H](C)c1cccnc1	ZINC000115225545	401821529	/nfs/dbraw/zinc/82/15/29/401821529.db2.gz	AXGMDBMAXJJPSN-LBPRGKRZSA-N	0	0	317.349	2.186	10	5		DEBERN
CC(=O)c1cnc(NC(=O)COc2ccc([N+](=O)[O-])cc2)s1	ZINC000078796103	401866298	/nfs/dbraw/zinc/86/62/98/401866298.db2.gz	FOECBZWAHWKHAO-UHFFFAOYSA-N	0	0	321.314	2.271	10	5		DEBERN
CCC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1	ZINC000133284407	401881353	/nfs/dbraw/zinc/88/13/53/401881353.db2.gz	QNWRJQDBBRHCLW-UHFFFAOYSA-N	0	0	321.377	2.152	10	5		DEBERN
Cc1ccc([C@@H](C)OC(=O)C2=NN(C)C(=O)CC2)cc1[N+](=O)[O-]	ZINC000084808967	401910290	/nfs/dbraw/zinc/91/02/90/401910290.db2.gz	UJGKVPOEIKRSHI-SNVBAGLBSA-N	0	0	319.317	2.116	10	5		DEBERN
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(C2CC2)CC1	ZINC000038106731	401922447	/nfs/dbraw/zinc/92/24/47/401922447.db2.gz	XIQUWKMRWKZTMW-UHFFFAOYSA-N	0	0	309.753	2.168	10	5		DEBERN
CCOC(=O)C[C@H](C)CNC(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000089788347	401963754	/nfs/dbraw/zinc/96/37/54/401963754.db2.gz	MULSTUZXHGZWNX-QMMMGPOBSA-N	0	0	314.363	2.284	10	5		DEBERN
C[NH+](C)CC1CCC(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1	ZINC000119331533	401941816	/nfs/dbraw/zinc/94/18/16/401941816.db2.gz	PWECVAUDYRSUNX-UHFFFAOYSA-N	0	0	321.377	2.151	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CCC(C)C	ZINC000055281793	402078622	/nfs/dbraw/zinc/07/86/22/402078622.db2.gz	LRCCVXHOJKEHRF-UHFFFAOYSA-N	0	0	316.379	2.270	10	5		DEBERN
CCc1cccc(CC)c1NC(=O)Cn1ncc([N+](=O)[O-])c1N	ZINC000152207405	402081950	/nfs/dbraw/zinc/08/19/50/402081950.db2.gz	LEZCNHPCOFZYKT-UHFFFAOYSA-N	0	0	317.349	2.137	10	5		DEBERN
Cc1cccc(NC(=O)Cn2c(C)ccc([N+](=O)[O-])c2=O)c1	ZINC000096552860	402098887	/nfs/dbraw/zinc/09/88/87/402098887.db2.gz	LNLRMDYXBOLCJX-UHFFFAOYSA-N	0	0	301.302	2.012	10	5		DEBERN
Cc1cc(NC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)ccc1[N+](=O)[O-]	ZINC000153738261	402166752	/nfs/dbraw/zinc/16/67/52/402166752.db2.gz	YUNNCYAZBPFFNP-GHMZBOCLSA-N	0	0	320.349	2.069	10	5		DEBERN
CCOc1ccc(C(=O)N(C)[C@H](CO)CC(C)C)cc1[N+](=O)[O-]	ZINC000184592042	402280486	/nfs/dbraw/zinc/28/04/86/402280486.db2.gz	OBZGDTUYBZYZSI-ZDUSSCGKSA-N	0	0	324.377	2.473	10	5		DEBERN
Cc1ccc(/C=C/CC(=O)NCCn2cc([N+](=O)[O-])cn2)cc1	ZINC000157015825	402290967	/nfs/dbraw/zinc/29/09/67/402290967.db2.gz	BYDGTICEZVQLIA-NSCUHMNNSA-N	0	0	314.345	2.319	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](CCO)CC(C)C	ZINC000176297397	402298000	/nfs/dbraw/zinc/29/80/00/402298000.db2.gz	IUUVFJFUIHWTBP-LBPRGKRZSA-N	0	0	309.366	2.073	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCc2nc[nH]c2C1	ZINC000220541653	402301262	/nfs/dbraw/zinc/30/12/62/402301262.db2.gz	NYXADKGGPMXFBY-SNVBAGLBSA-N	0	0	300.318	2.370	10	5		DEBERN
C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000185411266	402351166	/nfs/dbraw/zinc/35/11/66/402351166.db2.gz	PTEXLVLYJXWHQY-LBPRGKRZSA-N	0	0	321.377	2.295	10	5		DEBERN
COC(=O)c1cc(I)cc([N+](=O)[O-])c1C	ZINC000160776399	402360350	/nfs/dbraw/zinc/36/03/50/402360350.db2.gz	WCXUFGRKJQPURS-UHFFFAOYSA-N	0	0	321.070	2.294	10	5		DEBERN
O=C(N[C@H]1CCCn2ncnc21)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000177532820	402413275	/nfs/dbraw/zinc/41/32/75/402413275.db2.gz	VINTYSHVABUESG-JTQLQIEISA-N	0	0	321.724	2.105	10	5		DEBERN
O=C(N[C@@H]1CCCn2ncnc21)c1cc(Cl)cc([N+](=O)[O-])c1	ZINC000177582160	402417992	/nfs/dbraw/zinc/41/79/92/402417992.db2.gz	FAJIWBUMAUHMFY-LLVKDONJSA-N	0	0	321.724	2.105	10	5		DEBERN
COc1cccc(CNC(=O)Cc2cccc([N+](=O)[O-])c2C)n1	ZINC000164082699	402459462	/nfs/dbraw/zinc/45/94/62/402459462.db2.gz	WNZPDGZXSIGISN-UHFFFAOYSA-N	0	0	315.329	2.166	10	5		DEBERN
CCN(C[C@@H](O)C(F)(F)F)C(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000189895609	402565825	/nfs/dbraw/zinc/56/58/25/402565825.db2.gz	AQPHULRLDZUGLL-LLVKDONJSA-N	0	0	320.267	2.289	10	5		DEBERN
CCC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000179466268	402590988	/nfs/dbraw/zinc/59/09/88/402590988.db2.gz	PYNICWKGKJMHBN-UHFFFAOYSA-N	0	0	321.377	2.152	10	5		DEBERN
Cc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000248835122	402610547	/nfs/dbraw/zinc/61/05/47/402610547.db2.gz	NUJBYWGPOZJAES-QWHCGFSZSA-N	0	0	305.378	2.458	10	5		DEBERN
COc1cc(C(=O)N2CC[C@@H](C)[C@@H](OC)C2)cc([N+](=O)[O-])c1C	ZINC000190781945	402622586	/nfs/dbraw/zinc/62/25/86/402622586.db2.gz	STXIJBYCUHTMAF-BMIGLBTASA-N	0	0	322.361	2.409	10	5		DEBERN
CS(=O)(=O)c1cc([N+](=O)[O-])c(SC2CCOCC2)s1	ZINC000181533908	402648711	/nfs/dbraw/zinc/64/87/11/402648711.db2.gz	DWFREVJNCANKOR-UHFFFAOYSA-N	0	0	323.417	2.331	10	5		DEBERN
Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000191356953	402663574	/nfs/dbraw/zinc/66/35/74/402663574.db2.gz	PDNYRGSCPNUVKG-GFCCVEGCSA-N	0	0	306.366	2.379	10	5		DEBERN
Cc1cc(NC(=O)NCC2(C)OCCCO2)ccc1[N+](=O)[O-]	ZINC000192254258	402720017	/nfs/dbraw/zinc/72/00/17/402720017.db2.gz	UWSHTFMXAGCINZ-UHFFFAOYSA-N	0	0	309.322	2.178	10	5		DEBERN
COC(=O)c1cc(C(=O)NCC2(C)CCC2)cc([N+](=O)[O-])c1	ZINC000175114889	402780234	/nfs/dbraw/zinc/78/02/34/402780234.db2.gz	BZEUYHDZRXWHJW-UHFFFAOYSA-N	0	0	306.318	2.301	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C=C[C@H](CO)C1	ZINC000183293667	402753973	/nfs/dbraw/zinc/75/39/73/402753973.db2.gz	JATUESOXYAPQHI-PMGKTQQESA-N	0	0	302.330	2.051	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@H](Cn2cccn2)C1	ZINC000183333605	402757775	/nfs/dbraw/zinc/75/77/75/402757775.db2.gz	JGSYSJHAHGDRRM-INIZCTEOSA-N	0	0	316.361	2.001	10	5		DEBERN
CC[C@@H](NC(=O)NCc1cnn(C)c1)c1cccc([N+](=O)[O-])c1	ZINC000175968313	402845200	/nfs/dbraw/zinc/84/52/00/402845200.db2.gz	IQBYNSASVARXTP-CQSZACIVSA-N	0	0	317.349	2.279	10	5		DEBERN
O=[N+]([O-])c1cnc(NCc2cccnc2-n2ccnc2)s1	ZINC000195508061	402848015	/nfs/dbraw/zinc/84/80/15/402848015.db2.gz	MSGLOINXTTXZIM-UHFFFAOYSA-N	0	0	302.319	2.244	10	5		DEBERN
CCn1cnnc1C1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1	ZINC000266832700	402995055	/nfs/dbraw/zinc/99/50/55/402995055.db2.gz	IJLUOQNUBWJPLW-UHFFFAOYSA-N	0	0	316.365	2.294	10	5		DEBERN
COC[C@@H]1CN(c2cc(OC)ccc2[N+](=O)[O-])CC(C)(C)O1	ZINC000284984418	403276461	/nfs/dbraw/zinc/27/64/61/403276461.db2.gz	LBDUDVWFVMWQQN-LBPRGKRZSA-N	0	0	310.350	2.234	10	5		DEBERN
C[C@]12CCN(C(=O)c3cccc([N+](=O)[O-])c3N)C[C@H]1C2(F)F	ZINC000293712367	403545083	/nfs/dbraw/zinc/54/50/83/403545083.db2.gz	RRVXRNPCRZTVCB-MFKMUULPSA-N	0	0	311.288	2.294	10	5		DEBERN
O=c1c([N+](=O)[O-])c(Oc2ccc(Cl)nc2)nc2ccccn12	ZINC000301767337	403675672	/nfs/dbraw/zinc/67/56/72/403675672.db2.gz	OBTDMURYYANUOY-UHFFFAOYSA-N	0	0	318.676	2.443	10	5		DEBERN
C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCS(=O)(=O)[C@H](C)C1	ZINC000347381892	403687289	/nfs/dbraw/zinc/68/72/89/403687289.db2.gz	XAYDAZQIFUHGGL-LLBKUYECSA-N	0	0	324.402	2.117	10	5		DEBERN
Cc1cc(N[C@H]2CCc3ncnn3C2)c2cccc([N+](=O)[O-])c2n1	ZINC000302035716	403705912	/nfs/dbraw/zinc/70/59/12/403705912.db2.gz	UMTMEOKCZWVBQA-NSHDSACASA-N	0	0	324.344	2.470	10	5		DEBERN
O=[N+]([O-])c1cc2c(ncnc2I)s1	ZINC000307542958	403953875	/nfs/dbraw/zinc/95/38/75/403953875.db2.gz	ULFCHHFSVDVKBK-UHFFFAOYSA-N	0	0	307.072	2.204	10	5		DEBERN
C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCO[C@H]([C@@H](C)O)C1	ZINC000414592935	404689621	/nfs/dbraw/zinc/68/96/21/404689621.db2.gz	ZWOASPBHRYLGQD-DKMNWPJTSA-N	0	0	306.362	2.080	10	5		DEBERN
Nc1ccc(N2CC(O)(c3ccc(F)cc3)C2)c([N+](=O)[O-])c1	ZINC000367420794	405043256	/nfs/dbraw/zinc/04/32/56/405043256.db2.gz	VFEPOLUZUIKRDO-UHFFFAOYSA-N	0	0	303.293	2.024	10	5		DEBERN
O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H]2CCC[C@H]21	ZINC000408158654	405126510	/nfs/dbraw/zinc/12/65/10/405126510.db2.gz	LTURKTYOMIWXDN-TVQRCGJNSA-N	0	0	300.318	2.486	10	5		DEBERN
C/C=C/C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)OCC	ZINC000361549484	405128145	/nfs/dbraw/zinc/12/81/45/405128145.db2.gz	KXMHUDPQGKSFGE-LQPUYASZSA-N	0	0	320.345	2.151	10	5		DEBERN
C[C@H]1OCCC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1	ZINC000408333001	405176680	/nfs/dbraw/zinc/17/66/80/405176680.db2.gz	YPJCMNAILULCLR-ABAIWWIYSA-N	0	0	304.346	2.295	10	5		DEBERN
COc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)ccc1O	ZINC000438114266	405232540	/nfs/dbraw/zinc/23/25/40/405232540.db2.gz	DRJFGUWEJZDNAR-UHFFFAOYSA-N	0	0	302.286	2.490	10	5		DEBERN
C/C(=C\c1nc(Cn2cncn2)no1)c1ccc([N+](=O)[O-])cc1	ZINC000445385608	405351367	/nfs/dbraw/zinc/35/13/67/405351367.db2.gz	NMSOIKTYOZXBEK-UXBLZVDNSA-N	0	0	312.289	2.178	10	5		DEBERN
CC(C)c1nc([C@H]2COCCN2c2ccc([N+](=O)[O-])nc2)no1	ZINC000450428363	405892468	/nfs/dbraw/zinc/89/24/68/405892468.db2.gz	HYQSBDOXLSAGAM-LLVKDONJSA-N	0	0	319.321	2.074	10	5		DEBERN
NC(=O)c1cc(Br)cc([N+](=O)[O-])c1OC(F)F	ZINC000575683491	406817800	/nfs/dbraw/zinc/81/78/00/406817800.db2.gz	QHCRURJHAIUZPK-UHFFFAOYSA-N	0	0	311.038	2.058	10	5		DEBERN
NC(=O)c1cc(Br)cc(OC(F)F)c1[N+](=O)[O-]	ZINC000575682791	406817915	/nfs/dbraw/zinc/81/79/15/406817915.db2.gz	CCUDNQXNEOCEBL-UHFFFAOYSA-N	0	0	311.038	2.058	10	5		DEBERN
NC(=O)c1cc([N+](=O)[O-])cc(Br)c1OC(F)F	ZINC000575683005	406817950	/nfs/dbraw/zinc/81/79/50/406817950.db2.gz	JXWACGWGABJILX-UHFFFAOYSA-N	0	0	311.038	2.058	10	5		DEBERN
NC(=O)c1ccc(OC(F)F)c(Br)c1[N+](=O)[O-]	ZINC000575682759	406818061	/nfs/dbraw/zinc/81/80/61/406818061.db2.gz	BCFHBJNRHPLYLC-UHFFFAOYSA-N	0	0	311.038	2.058	10	5		DEBERN
CCOC(=O)Cc1cc(Br)cc(OC)c1[N+](=O)[O-]	ZINC000575699088	406819881	/nfs/dbraw/zinc/81/98/81/406819881.db2.gz	CYPQGRIQSFJDIJ-UHFFFAOYSA-N	0	0	318.123	2.472	10	5		DEBERN
CCOc1cc(I)c(C=O)c([N+](=O)[O-])c1	ZINC000575698066	406819971	/nfs/dbraw/zinc/81/99/71/406819971.db2.gz	AEFIVYNFYXRZHU-UHFFFAOYSA-N	0	0	321.070	2.411	10	5		DEBERN
CCO[C@H](C)CNc1cc(C(=O)OC)c(F)cc1[N+](=O)[O-]	ZINC000130880558	196119617	/nfs/dbraw/zinc/11/96/17/196119617.db2.gz	CQWOWKNRWACBOY-MRVPVSSYSA-N	0	0	300.286	2.357	10	5		DEBERN
CC1(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)COC1	ZINC000130946744	196124955	/nfs/dbraw/zinc/12/49/55/196124955.db2.gz	MMGMPOCUVXZZRY-UHFFFAOYSA-N	0	0	318.251	2.380	10	5		DEBERN
C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)[C@@H]1C	ZINC000131241144	196153620	/nfs/dbraw/zinc/15/36/20/196153620.db2.gz	KJGNVRBGOXIAOH-KBVBSXBZSA-N	0	0	316.354	2.447	10	5		DEBERN
CCCNc1cc(S(=O)(=O)N(C)CC)ccc1[N+](=O)[O-]	ZINC000131882175	196207392	/nfs/dbraw/zinc/20/73/92/196207392.db2.gz	PXHNONUOJJPPSU-UHFFFAOYSA-N	0	0	301.368	2.057	10	5		DEBERN
NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1[C@@H]2c3ccccc3C[C@H]12	ZINC000132458881	196256875	/nfs/dbraw/zinc/25/68/75/196256875.db2.gz	CQXXYPRQXOGYMM-BPLDGKMQSA-N	0	0	324.340	2.087	10	5		DEBERN
CC(C)Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1[N+](=O)[O-]	ZINC000132488107	196259851	/nfs/dbraw/zinc/25/98/51/196259851.db2.gz	RUJXOGIEONUYHZ-MRVPVSSYSA-N	0	0	321.786	2.003	10	5		DEBERN
C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1)C1CCCC1	ZINC000132728050	196278778	/nfs/dbraw/zinc/27/87/78/196278778.db2.gz	CVSVTUGJIPSMBG-VIFPVBQESA-N	0	0	313.379	2.034	10	5		DEBERN
CC[C@H](CSC)Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	ZINC000133140830	196315017	/nfs/dbraw/zinc/31/50/17/196315017.db2.gz	CNSWQBJNYWEFCG-MRVPVSSYSA-N	0	0	311.363	2.479	10	5		DEBERN
Cc1cccc2[nH]cc(CCNC(=O)c3[nH]ncc3[N+](=O)[O-])c21	ZINC000134150362	196365820	/nfs/dbraw/zinc/36/58/20/196365820.db2.gz	PJRYGLZBAQBRBA-UHFFFAOYSA-N	0	0	313.317	2.080	10	5		DEBERN
CC[NH+](CC)CCOc1cc(F)c(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000135423223	196473217	/nfs/dbraw/zinc/47/32/17/196473217.db2.gz	BEANLCSNWLOKKQ-UHFFFAOYSA-N	0	0	300.286	2.153	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(C)c(OC)c2)n1	ZINC000191570512	225113842	/nfs/dbraw/zinc/11/38/42/225113842.db2.gz	VZNAEDDTRICPBB-UHFFFAOYSA-N	0	0	318.333	2.058	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NC(C)(C)c2nc(C)cs2)n1	ZINC000191619627	225114716	/nfs/dbraw/zinc/11/47/16/225114716.db2.gz	DFPZJJXETBJNHK-UHFFFAOYSA-N	0	0	323.378	2.241	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCc3c2cccc3F)n1	ZINC000191710087	225115886	/nfs/dbraw/zinc/11/58/86/225115886.db2.gz	MQHVXUWVMADSOT-UHFFFAOYSA-N	0	0	304.281	2.153	10	5		DEBERN
CC(=O)CCC(C)(C)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000354520572	425064000	/nfs/dbraw/zinc/06/40/00/425064000.db2.gz	KLRLIHODBDCRGG-UHFFFAOYSA-N	0	0	318.333	2.805	10	5		DEBERN
Nc1c(C(=O)NCCc2cc(F)ccc2F)cccc1[N+](=O)[O-]	ZINC000177031361	267550970	/nfs/dbraw/zinc/55/09/70/267550970.db2.gz	MDJATGZRCRHZFG-UHFFFAOYSA-N	0	0	321.283	2.428	10	5		DEBERN
CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C)CCN1CC(F)F	ZINC000270800623	268701840	/nfs/dbraw/zinc/70/18/40/268701840.db2.gz	NMHAPBDXJBGHGH-LLVKDONJSA-N	0	0	314.336	2.464	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@](C)(C(N)=O)C(C)C	ZINC000287932690	276828600	/nfs/dbraw/zinc/82/86/00/276828600.db2.gz	PNRPWDPVFOMJJW-PXUDHTSWSA-N	0	0	319.361	2.014	10	5		DEBERN
COC(=O)[C@@]12CCC[C@@H]1CN(c1nccc(C)c1[N+](=O)[O-])C2	ZINC000302141385	277114935	/nfs/dbraw/zinc/11/49/35/277114935.db2.gz	FPFXSVJEDNGKSA-IAQYHMDHSA-N	0	0	305.334	2.078	10	5		DEBERN
COC(=O)c1cc(N2C[C@H](C)O[C@@H](C)C2)cc(C)c1[N+](=O)[O-]	ZINC000267914107	277423644	/nfs/dbraw/zinc/42/36/44/277423644.db2.gz	CVQPRHJCLACBLL-QWRGUYRKSA-N	0	0	308.334	2.303	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCS[C@H]2COCC[C@H]21	ZINC000162519888	278745510	/nfs/dbraw/zinc/74/55/10/278745510.db2.gz	YASLQZICUGZIQO-KGLIPLIRSA-N	0	0	322.386	2.250	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCS[C@H]2COCC[C@@H]21	ZINC000162519635	280658450	/nfs/dbraw/zinc/65/84/50/280658450.db2.gz	YASLQZICUGZIQO-KBPBESRZSA-N	0	0	322.386	2.250	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(C)c2ccccc21	ZINC000110476486	293608425	/nfs/dbraw/zinc/60/84/25/293608425.db2.gz	QELZMIXXVVTQDC-UHFFFAOYSA-N	0	0	312.329	2.395	10	5		DEBERN
COc1ccc(O)cc1C(=O)NCc1ccccc1[N+](=O)[O-]	ZINC000188391883	534212546	/nfs/dbraw/zinc/21/25/46/534212546.db2.gz	JIXKOHGPZCRQJF-UHFFFAOYSA-N	0	0	302.286	2.239	10	5		DEBERN
O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC1(CCO)CC1	ZINC000187953727	534358522	/nfs/dbraw/zinc/35/85/22/534358522.db2.gz	ZVKZBJUIARXAOR-UHFFFAOYSA-N	0	0	321.377	2.066	10	5		DEBERN
CCCCNC(=O)Cc1noc(-c2ccc([N+](=O)[O-])cc2F)n1	ZINC000109447646	520631068	/nfs/dbraw/zinc/63/10/68/520631068.db2.gz	AWJIXVBSJXBICA-UHFFFAOYSA-N	0	0	322.296	2.243	10	5		DEBERN
CC(C)(C)CN(C(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccc1	ZINC000362892478	534603212	/nfs/dbraw/zinc/60/32/12/534603212.db2.gz	LGVGFNLRMSWGIF-UHFFFAOYSA-N	0	0	317.349	2.266	10	5		DEBERN
Cc1cncc(/C=C\c2nc(-c3c([N+](=O)[O-])ncn3C)no2)c1	ZINC000445577847	534678422	/nfs/dbraw/zinc/67/84/22/534678422.db2.gz	XXXWOGXUKYXQGQ-ARJAWSKDSA-N	0	0	312.289	2.252	10	5		DEBERN
COCCCCS(=O)(=O)Oc1cc([N+](=O)[O-])ccc1C	ZINC000133558730	523186100	/nfs/dbraw/zinc/18/61/00/523186100.db2.gz	FBUZBGPKGLRGED-UHFFFAOYSA-N	0	0	303.336	2.038	10	5		DEBERN
CSC1(CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1	ZINC000227993408	525341459	/nfs/dbraw/zinc/34/14/59/525341459.db2.gz	FLRWLWNETZELHE-UHFFFAOYSA-N	0	0	309.347	2.233	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(CC(=O)NCCC2=CCCCC2)c1=O	ZINC000155877242	525571986	/nfs/dbraw/zinc/57/19/86/525571986.db2.gz	RRWJBXHKGMEFNT-UHFFFAOYSA-N	0	0	319.361	2.072	10	5		DEBERN
CC(=O)NCCCN(C)c1ccc([N+](=O)[O-])c2cnccc21	ZINC000301290708	526735305	/nfs/dbraw/zinc/73/53/05/526735305.db2.gz	OZTJNYLAMQEYBN-UHFFFAOYSA-N	0	0	302.334	2.105	10	5		DEBERN
CC(C)CCN(C)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-]	ZINC000301901830	527710785	/nfs/dbraw/zinc/71/07/85/527710785.db2.gz	VWVBHDZOUATZGX-UHFFFAOYSA-N	0	0	300.380	2.481	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2CCOC)n1	ZINC000191721039	529154796	/nfs/dbraw/zinc/15/47/96/529154796.db2.gz	FZUXHTQKZPCJCC-UHFFFAOYSA-N	0	0	318.333	2.252	10	5		DEBERN
CCO[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])s2)C12CCOCC2	ZINC000192534512	535519196	/nfs/dbraw/zinc/51/91/96/535519196.db2.gz	BQVMMVJUVJTQNJ-VHSXEESVSA-N	0	0	313.379	2.437	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(Cc2cc(F)ccc2[N+](=O)[O-])c1=O	ZINC000178223847	625279983	/nfs/dbraw/zinc/27/99/83/625279983.db2.gz	YYYDLYLUAQVRSF-UHFFFAOYSA-N	0	0	307.237	2.161	10	5		DEBERN
C[C@H]1CO[C@@H](c2ccccc2)CN1Cn1cc([N+](=O)[O-])cn1	ZINC000066795051	625838835	/nfs/dbraw/zinc/83/88/35/625838835.db2.gz	XLVKTUPMSUQQDB-SWLSCSKDSA-N	0	0	302.334	2.211	10	5		DEBERN
CCc1cccc(CC(=O)OCCn2cc([N+](=O)[O-])cn2)c1	ZINC000178540479	635607363	/nfs/dbraw/zinc/60/73/63/635607363.db2.gz	LNPULQIMDBZYIF-UHFFFAOYSA-N	0	0	303.318	2.140	10	5		DEBERN
CCOc1ccc(C(=O)OCc2ccnn2C)cc1[N+](=O)[O-]	ZINC000747272290	638425437	/nfs/dbraw/zinc/42/54/37/638425437.db2.gz	HFFQIJJABWAOFT-UHFFFAOYSA-N	0	0	305.290	2.084	10	5		DEBERN
COc1cc(OCC(=O)OCC2CC=CC2)ccc1[N+](=O)[O-]	ZINC000750358342	638736751	/nfs/dbraw/zinc/73/67/51/638736751.db2.gz	SMDVHGWHYWWRFR-UHFFFAOYSA-N	0	0	307.302	2.492	10	5		DEBERN
C/C(=C/C(=O)OCC(=O)NCC(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000752353144	639174805	/nfs/dbraw/zinc/17/48/05/639174805.db2.gz	WOMHKKCTJJRIGZ-WQLSENKSSA-N	0	0	320.345	2.314	10	5		DEBERN
COC(=O)/C(C)=C\COC(=O)c1c(F)ccc([N+](=O)[O-])c1F	ZINC000752564949	639197660	/nfs/dbraw/zinc/19/76/60/639197660.db2.gz	IMVUHDCWERDSCP-ALCCZGGFSA-N	0	0	315.228	2.149	10	5		DEBERN
CC(C)[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1F)C(=O)N(C)C	ZINC000729708712	640830159	/nfs/dbraw/zinc/83/01/59/640830159.db2.gz	YSQYYKLPYBCLRR-GFCCVEGCSA-N	0	0	312.297	2.004	10	5		DEBERN
COC(=O)[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(C)c1F)C1CC1	ZINC000803462680	645657423	/nfs/dbraw/zinc/65/74/23/645657423.db2.gz	WIINSTLMNCMCJV-LBPRGKRZSA-N	0	0	311.265	2.151	10	5		DEBERN
CO[C@H]1CCC[C@@H](OC(=O)COc2cccc([N+](=O)[O-])c2)C1	ZINC000075537159	646400253	/nfs/dbraw/zinc/40/02/53/646400253.db2.gz	XIMJHGZGSLFLEX-GXTWGEPZSA-N	0	0	309.318	2.474	10	5		DEBERN
Cc1c(OC(=O)[C@H]2CCCN2C(=O)C(C)C)cccc1[N+](=O)[O-]	ZINC000055651697	646448377	/nfs/dbraw/zinc/44/83/77/646448377.db2.gz	IXLWHZWFZJAFDP-CYBMUJFWSA-N	0	0	320.345	2.456	10	5		DEBERN
CC(=O)N[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1	ZINC000172175919	646725071	/nfs/dbraw/zinc/72/50/71/646725071.db2.gz	JUVFHPDVJIBVBS-LBPRGKRZSA-N	0	0	311.769	2.349	10	5		DEBERN
CC(=O)N[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1	ZINC000172175914	646725131	/nfs/dbraw/zinc/72/51/31/646725131.db2.gz	JUVFHPDVJIBVBS-GFCCVEGCSA-N	0	0	311.769	2.349	10	5		DEBERN
CC(C)n1nnnc1CN1c2ccc([N+](=O)[O-])cc2C[C@H]1C	ZINC000170844422	648353887	/nfs/dbraw/zinc/35/38/87/648353887.db2.gz	ZTCGRDAOKPORNE-SNVBAGLBSA-N	0	0	302.338	2.113	10	5		DEBERN
Cc1cc(F)cc(C(=O)Nc2cnc(N(C)C)nc2)c1[N+](=O)[O-]	ZINC000125325586	684144787	/nfs/dbraw/zinc/14/47/87/684144787.db2.gz	XKIJDXLYPOWGMP-UHFFFAOYSA-N	0	0	319.296	2.151	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCc1noc(C)n1	ZINC000588438896	777195233	/nfs/dbraw/zinc/19/52/33/777195233.db2.gz	IDEGHPSMZRWIRU-CLFYSBASSA-N	0	0	303.274	2.433	10	5		DEBERN
CCOC(=O)[C@H](C)OC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1	ZINC000588447808	777210074	/nfs/dbraw/zinc/21/00/74/777210074.db2.gz	ACDRRFLTPXWLGF-JUDLJHIGSA-N	0	0	307.302	2.493	10	5		DEBERN
O=[N+]([O-])c1cc(Br)ccc1CNCc1cc[nH]n1	ZINC000162769756	800221021	/nfs/dbraw/zinc/22/10/21/800221021.db2.gz	XVWXYNDLRCESMM-UHFFFAOYSA-N	0	0	311.139	2.370	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2cncn2)cc1	ZINC000044697239	1078345329	/nfs/dbraw/zinc/34/53/29/1078345329.db2.gz	DMKOJDRIDYATPR-UHFFFAOYSA-N	0	0	324.300	2.131	10	5		DEBERN
CCn1c(C)nc([N+](=O)[O-])c1NC[C@]1(OC)CCSC1	ZINC000719244305	1091975846	/nfs/dbraw/zinc/97/58/46/1091975846.db2.gz	ZOILXTXRPDAATN-GFCCVEGCSA-N	0	0	300.384	2.054	10	5		DEBERN
CCn1nc(C)c([N+](=O)[O-])c1NC[C@]1(OC)CCSC1	ZINC000719241956	1091976103	/nfs/dbraw/zinc/97/61/03/1091976103.db2.gz	QTKJOCSKYCGQDI-GFCCVEGCSA-N	0	0	300.384	2.054	10	5		DEBERN
O=C(Cn1ccnc1[N+](=O)[O-])c1ccc(Br)s1	ZINC000702744200	1144808495	/nfs/dbraw/zinc/80/84/95/1144808495.db2.gz	TZAJHRNTYJTWOO-UHFFFAOYSA-N	0	0	316.136	2.498	10	5		DEBERN
C[C@H]1CC[C@H](C)N(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1	ZINC000076727743	185035835	/nfs/dbraw/zinc/03/58/35/185035835.db2.gz	HFQAARMLIDVUNE-QWRGUYRKSA-N	0	0	305.334	2.180	10	5		DEBERN
Cc1c([N+](=O)[O-])cc(C(=O)N(C)C[C@@H]2CCCO2)cc1[N+](=O)[O-]	ZINC000076967476	185062627	/nfs/dbraw/zinc/06/26/27/185062627.db2.gz	IYYPYNKWTFANJX-NSHDSACASA-N	0	0	323.305	2.062	10	5		DEBERN
COC(=O)C[C@H](C)Sc1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000078836824	185118317	/nfs/dbraw/zinc/11/83/17/185118317.db2.gz	PWBSPWDALNOMDW-QMMMGPOBSA-N	0	0	313.331	2.410	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCn2c3ccccc3nc21	ZINC000193800270	282167661	/nfs/dbraw/zinc/16/76/61/282167661.db2.gz	LJLGKBKTLPMPBK-UHFFFAOYSA-N	0	0	323.312	2.308	10	5		DEBERN
NC(=O)CCCNc1cc(Br)ccc1[N+](=O)[O-]	ZINC000087834199	185232913	/nfs/dbraw/zinc/23/29/13/185232913.db2.gz	YWQBJLJSYROPPG-UHFFFAOYSA-N	0	0	302.128	2.035	10	5		DEBERN
O=C(NC[C@H]1CCC[C@H]1CO)c1cc(Cl)cc([N+](=O)[O-])c1	ZINC000165746097	197681463	/nfs/dbraw/zinc/68/14/63/197681463.db2.gz	ZCZHAICBRCOKQP-ZJUUUORDSA-N	0	0	312.753	2.387	10	5		DEBERN
COC(=O)C[C@H](C)[S@](=O)Cc1ccc([N+](=O)[O-])cc1Cl	ZINC000090101501	185281962	/nfs/dbraw/zinc/28/19/62/185281962.db2.gz	HFEGOFJCDOCWFM-FHZGZLOMSA-N	0	0	319.766	2.449	10	5		DEBERN
CO[C@H](C)c1cccc(NC(=O)c2c([N+](=O)[O-])cnn2C)c1	ZINC000166221455	197690054	/nfs/dbraw/zinc/69/00/54/197690054.db2.gz	NDSXUZAZGVWYMA-SECBINFHSA-N	0	0	304.306	2.288	10	5		DEBERN
CC[C@H](NC(=O)NCc1ccnn1C)c1cccc([N+](=O)[O-])c1	ZINC000090526543	185300220	/nfs/dbraw/zinc/30/02/20/185300220.db2.gz	SPUVKSQYKUIUMT-AWEZNQCLSA-N	0	0	317.349	2.279	10	5		DEBERN
O=[N+]([O-])c1nn(Cc2ccc(Cl)nn2)cc1Br	ZINC000167275755	197706393	/nfs/dbraw/zinc/70/63/93/197706393.db2.gz	XEOXYSCWMFUTAA-UHFFFAOYSA-N	0	0	318.518	2.046	10	5		DEBERN
CCNc1cc(C)c(S(=O)(=O)NC2(C)CC2)cc1[N+](=O)[O-]	ZINC000168360706	197721889	/nfs/dbraw/zinc/72/18/89/197721889.db2.gz	ZUSVBUVYBJGHIY-UHFFFAOYSA-N	0	0	313.379	2.166	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2cc[nH]n2)C1	ZINC000170672264	197804878	/nfs/dbraw/zinc/80/48/78/197804878.db2.gz	IPEULKWGSZNIIQ-NSHDSACASA-N	0	0	315.333	2.041	10	5		DEBERN
C[C@@H](CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[S@](C)=O	ZINC000130415909	185965816	/nfs/dbraw/zinc/96/58/16/185965816.db2.gz	OHKFZGUMLCELOM-FFVOIRBGSA-N	0	0	301.324	2.072	10	5		DEBERN
CC[C@@H](Oc1c(Br)cccc1[N+](=O)[O-])C(N)=O	ZINC000133631796	186000919	/nfs/dbraw/zinc/00/09/19/186000919.db2.gz	CPVXTGUTYZOPQR-MRVPVSSYSA-N	0	0	303.112	2.000	10	5		DEBERN
CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C1CCC1	ZINC000138103408	186014236	/nfs/dbraw/zinc/01/42/36/186014236.db2.gz	HZSWZHNOJFESTK-SECBINFHSA-N	0	0	313.379	2.103	10	5		DEBERN
O=[N+]([O-])c1cnc(NCCc2ncc[nH]2)c(Br)c1	ZINC000139969801	186025118	/nfs/dbraw/zinc/02/51/18/186025118.db2.gz	LPIMNUVTXUVKRH-UHFFFAOYSA-N	0	0	312.127	2.130	10	5		DEBERN
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NOC(C)(C)C)c1C	ZINC000148833587	186046075	/nfs/dbraw/zinc/04/60/75/186046075.db2.gz	CUOGGRUQMZNJRV-UHFFFAOYSA-N	0	0	302.352	2.220	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(Cc2nc(-c3ccsc3)no2)c1=O	ZINC000155826159	186116333	/nfs/dbraw/zinc/11/63/33/186116333.db2.gz	LLPCRMTVYHEUMM-UHFFFAOYSA-N	0	0	318.314	2.225	10	5		DEBERN
CCc1ccc(C(=O)N2CCN3CCCC[C@@H]3C2)cc1[N+](=O)[O-]	ZINC000173349260	186179762	/nfs/dbraw/zinc/17/97/62/186179762.db2.gz	WYGFBNGIIIGKBI-OAHLLOKOSA-N	0	0	317.389	2.468	10	5		DEBERN
CCOCCS(=O)(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1	ZINC000175114341	198429903	/nfs/dbraw/zinc/42/99/03/198429903.db2.gz	JJWBMPMQJPMJLM-CYBMUJFWSA-N	0	0	316.379	2.002	10	5		DEBERN
CC(C)(C)C(=O)O[C@H](COC(=O)c1ccccc1)C[N+](=O)[O-]	ZINC000034644984	354162122	/nfs/dbraw/zinc/16/21/22/354162122.db2.gz	PTFOVGOQTRCHJP-LBPRGKRZSA-N	0	0	309.318	2.078	10	5		DEBERN
CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000057616678	354575370	/nfs/dbraw/zinc/57/53/70/354575370.db2.gz	CWEDGJMGTQWNBF-NSHDSACASA-N	0	0	311.725	2.198	10	5		DEBERN
Cc1nn(C)c(C)c1C[C@H](C)Nc1c([N+](=O)[O-])c(C)nn1C	ZINC000078399112	355259008	/nfs/dbraw/zinc/25/90/08/355259008.db2.gz	FHVXOTGOGICJEQ-QMMMGPOBSA-N	0	0	306.370	2.030	10	5		DEBERN
COc1cc(F)c([N+](=O)[O-])c(Sc2nnnn2C2CC2)c1	ZINC000092583960	355640440	/nfs/dbraw/zinc/64/04/40/355640440.db2.gz	QPKNJDTXDUKWRF-UHFFFAOYSA-N	0	0	311.298	2.215	10	5		DEBERN
O=[N+]([O-])c1ccc(F)cc1N1CCN(c2ccccn2)CC1	ZINC000141305331	355890208	/nfs/dbraw/zinc/89/02/08/355890208.db2.gz	CITARAWENUTXBO-UHFFFAOYSA-N	0	0	302.309	2.456	10	5		DEBERN
CC(=O)c1ccc(NC(=O)c2c([N+](=O)[O-])cnn2C)cc1Cl	ZINC000182798851	356146276	/nfs/dbraw/zinc/14/62/76/356146276.db2.gz	FUWPXBAHSRHHCH-UHFFFAOYSA-N	0	0	322.708	2.437	10	5		DEBERN
CCOC(=O)c1ccc([N+](=O)[O-])c(I)c1	ZINC000238263789	356302839	/nfs/dbraw/zinc/30/28/39/356302839.db2.gz	MSRUFHBQSPZQBA-UHFFFAOYSA-N	0	0	321.070	2.376	10	5		DEBERN
C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000081451137	192268572	/nfs/dbraw/zinc/26/85/72/192268572.db2.gz	GTCDLYAGDAHHLY-JTQLQIEISA-N	0	0	308.334	2.397	10	5		DEBERN
COC[C@@H](Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])C(C)C	ZINC000587984693	357385137	/nfs/dbraw/zinc/38/51/37/357385137.db2.gz	BAZSAEUKUVIREE-LLVKDONJSA-N	0	0	311.338	2.168	10	5		DEBERN
CCOC1CCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1	ZINC000587416327	357380973	/nfs/dbraw/zinc/38/09/73/357380973.db2.gz	XEEIMENSBZXITA-UHFFFAOYSA-N	0	0	323.349	2.090	10	5		DEBERN
O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CCCC[C@@H]1CO	ZINC000179233218	199002029	/nfs/dbraw/zinc/00/20/29/199002029.db2.gz	APABQAVXVADOPX-CHWSQXEVSA-N	0	0	322.361	2.031	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCC(=O)NC(C)C	ZINC000184970507	199789316	/nfs/dbraw/zinc/78/93/16/199789316.db2.gz	KOOKKBAZVGVUFN-ZRDIBKRKSA-N	0	0	319.361	2.029	10	5		DEBERN
CC[C@H](NC(=O)CCCC(=O)NC)c1cccc([N+](=O)[O-])c1	ZINC000180127329	199120529	/nfs/dbraw/zinc/12/05/29/199120529.db2.gz	WIRZYPAWROTIHO-ZDUSSCGKSA-N	0	0	307.350	2.078	10	5		DEBERN
C[C@H]1C[C@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)CC(C)(C)C1	ZINC000180489994	199166385	/nfs/dbraw/zinc/16/63/85/199166385.db2.gz	SGYRHDYGTYHLMF-RYUDHWBXSA-N	0	0	308.382	2.370	10	5		DEBERN
CC[C@H](NC(=O)COCCCOC)c1cccc([N+](=O)[O-])c1	ZINC000181206254	199265377	/nfs/dbraw/zinc/26/53/77/199265377.db2.gz	QCDPECZHGPMNBS-AWEZNQCLSA-N	0	0	310.350	2.215	10	5		DEBERN
COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@H](OC)C2)c1	ZINC000187774094	200155088	/nfs/dbraw/zinc/15/50/88/200155088.db2.gz	XKWQUPWXHKZTJF-IINYFYTJSA-N	0	0	308.334	2.100	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC1(C)OCCCO1	ZINC000192269853	200845222	/nfs/dbraw/zinc/84/52/22/200845222.db2.gz	LEKAITWEBUEGMQ-UHFFFAOYSA-N	0	0	309.322	2.178	10	5		DEBERN
COc1ccc([N+](=O)[O-])c(N2CC[C@H](c3cnn(C)c3)C2)c1	ZINC000610250088	361373902	/nfs/dbraw/zinc/37/39/02/361373902.db2.gz	ZUSWZEAHGHAEDV-NSHDSACASA-N	0	0	302.334	2.331	10	5		DEBERN
O=[N+]([O-])c1cnccc1N[C@H]1CCOC2(CCSCC2)C1	ZINC000610915434	361492943	/nfs/dbraw/zinc/49/29/43/361492943.db2.gz	QZXFXCBLNCWINO-NSHDSACASA-N	0	0	309.391	2.268	10	5		DEBERN
CCOc1ccc(C(=O)N2CCN(CC)[C@@H](C)C2)cc1[N+](=O)[O-]	ZINC000611087748	361523716	/nfs/dbraw/zinc/52/37/16/361523716.db2.gz	HATFQLUABNQDFD-LBPRGKRZSA-N	0	0	321.377	2.160	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)n1	ZINC000611616909	361645104	/nfs/dbraw/zinc/64/51/04/361645104.db2.gz	UUYCADYZVNVQGJ-XXILOJSOSA-N	0	0	304.350	2.028	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@](O)(C(F)(F)F)C2)n1	ZINC000611616821	361645191	/nfs/dbraw/zinc/64/51/91/361645191.db2.gz	MLOWDOMETRQNTM-LLVKDONJSA-N	0	0	305.256	2.110	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(NCC(=O)NC2CCCCC2)n1	ZINC000611616870	361645813	/nfs/dbraw/zinc/64/58/13/361645813.db2.gz	RMVZYBAYKQMCQT-UHFFFAOYSA-N	0	0	306.366	2.467	10	5		DEBERN
Cn1cc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)nn1	ZINC000611930419	361707302	/nfs/dbraw/zinc/70/73/02/361707302.db2.gz	BXAKAHPNWYYHQH-UHFFFAOYSA-N	0	0	313.317	2.273	10	5		DEBERN
Cc1ccc(CN2CC[C@@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-]	ZINC000093611733	193274458	/nfs/dbraw/zinc/27/44/58/193274458.db2.gz	JYTXRWLMTLICGN-LBPRGKRZSA-N	0	0	304.268	2.402	10	5		DEBERN
O=C(Nc1onc2c1CCC2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000008976445	181594035	/nfs/dbraw/zinc/59/40/35/181594035.db2.gz	LKMGSXCGRLJWNC-UHFFFAOYSA-N	0	0	318.245	2.232	10	5		DEBERN
CC(C)[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000021125377	182266293	/nfs/dbraw/zinc/26/62/93/182266293.db2.gz	VSZBZRVAXFNZII-SECBINFHSA-N	0	0	311.294	2.043	10	5		DEBERN
CCOc1ncnc(NCc2ccc3c(c2)OCO3)c1[N+](=O)[O-]	ZINC000040585236	183106166	/nfs/dbraw/zinc/10/61/66/183106166.db2.gz	WGKSTOFCCPUGSD-UHFFFAOYSA-N	0	0	318.289	2.124	10	5		DEBERN
COc1cccc(Nc2ncnc(-n3ccnc3)c2[N+](=O)[O-])c1	ZINC000040586964	183106287	/nfs/dbraw/zinc/10/62/87/183106287.db2.gz	DFGVMSRYJPLBGN-UHFFFAOYSA-N	0	0	312.289	2.323	10	5		DEBERN
Cc1c(C(=O)N[C@H](C)[C@H]2CCCO2)cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000046218154	183557905	/nfs/dbraw/zinc/55/79/05/183557905.db2.gz	OJQVVFJQKHBGRO-NOZJJQNGSA-N	0	0	323.305	2.109	10	5		DEBERN
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1nnc(Cl)s1	ZINC000159768141	197362629	/nfs/dbraw/zinc/36/26/29/197362629.db2.gz	YEDRREPYSRVSTL-UHFFFAOYSA-N	0	0	302.674	2.491	10	5		DEBERN
CCNc1ccc([N+](=O)[O-])c(S(=O)(=O)N(CC)C(C)C)c1	ZINC000050652001	183794586	/nfs/dbraw/zinc/79/45/86/183794586.db2.gz	AZUYPUVFXTXVDS-UHFFFAOYSA-N	0	0	315.395	2.446	10	5		DEBERN
NC(=O)c1ccsc1NC(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000054416344	183939111	/nfs/dbraw/zinc/93/91/11/183939111.db2.gz	HAXHVGLCOWVSBQ-UHFFFAOYSA-N	0	0	309.278	2.147	10	5		DEBERN
O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3CCCC[C@H]3O)cc2N1	ZINC000156860019	197145773	/nfs/dbraw/zinc/14/57/73/197145773.db2.gz	HZWLCCPZSWVRIU-IAQYHMDHSA-N	0	0	319.361	2.443	10	5		DEBERN
CC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1C1CC1	ZINC000061570396	184175030	/nfs/dbraw/zinc/17/50/30/184175030.db2.gz	PVAYRIYONSLDFG-UHFFFAOYSA-N	0	0	305.319	2.270	10	5		DEBERN
CNc1ccc(S(=O)(=O)NCCCC(C)C)c([N+](=O)[O-])c1	ZINC000062098033	184205803	/nfs/dbraw/zinc/20/58/03/184205803.db2.gz	BDLFSCUKAXFFCV-UHFFFAOYSA-N	0	0	315.395	2.351	10	5		DEBERN
COC(=O)[C@H](N)CCOc1c(Cl)cc([N+](=O)[O-])cc1Cl	ZINC000062595559	184244135	/nfs/dbraw/zinc/24/41/35/184244135.db2.gz	XUOCNHIKTOLVLU-SECBINFHSA-N	0	0	323.132	2.171	10	5		DEBERN
CCOC(=O)[C@H](CCOc1cc(Cl)ccc1[N+](=O)[O-])NC	ZINC000062595820	184244218	/nfs/dbraw/zinc/24/42/18/184244218.db2.gz	YHKHPSZWECMSTD-JTQLQIEISA-N	0	0	316.741	2.168	10	5		DEBERN
CC[N@H+](CC(=O)[O-])Cc1ccc(Br)cc1[N+](=O)[O-]	ZINC000158810527	197302812	/nfs/dbraw/zinc/30/28/12/197302812.db2.gz	KUDBNISDCOCJBV-UHFFFAOYSA-N	0	0	317.139	2.264	10	5		DEBERN
CCc1n[nH]c(C(=O)N[C@H](CC)c2nccs2)c1[N+](=O)[O-]	ZINC000185702251	207367526	/nfs/dbraw/zinc/36/75/26/207367526.db2.gz	KIFMXYZMANXBLG-MRVPVSSYSA-N	0	0	309.351	2.218	10	5		DEBERN
CCOC(=O)[C@](C)(COc1cc([N+](=O)[O-])ccc1Cl)NC	ZINC000069508001	184520636	/nfs/dbraw/zinc/52/06/36/184520636.db2.gz	IWNNHDAQECAAJL-ZDUSSCGKSA-N	0	0	316.741	2.168	10	5		DEBERN
COC[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1ccccc1	ZINC000539905002	285099453	/nfs/dbraw/zinc/09/94/53/285099453.db2.gz	CCVAZIMVRKVHSS-CYBMUJFWSA-N	0	0	303.318	2.051	10	5		DEBERN
CCN(CCO)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000158790491	197301829	/nfs/dbraw/zinc/30/18/29/197301829.db2.gz	JLGAQVNZUBMLJT-UHFFFAOYSA-N	0	0	307.119	2.315	10	5		DEBERN
O=[N+]([O-])c1cc(F)c(Br)cc1NCc1nc[nH]n1	ZINC000158104270	197243391	/nfs/dbraw/zinc/24/33/91/197243391.db2.gz	FOKLMFCUNUEZQN-UHFFFAOYSA-N	0	0	316.090	2.227	10	5		DEBERN
O=C1COc2cc([N+](=O)[O-])c(NCCC3=CCOCC3)cc2N1	ZINC000158041921	197239104	/nfs/dbraw/zinc/23/91/04/197239104.db2.gz	FDCFSGSRIIDQTK-UHFFFAOYSA-N	0	0	319.317	2.074	10	5		DEBERN
Nc1cccc(C(=O)N2CCc3sccc3C2)c1[N+](=O)[O-]	ZINC000156886961	197147849	/nfs/dbraw/zinc/14/78/49/197147849.db2.gz	YTJFVDVTAZIFRY-UHFFFAOYSA-N	0	0	303.343	2.437	10	5		DEBERN
COc1cnccc1[C@@H](C)NC(=O)Nc1ccncc1[N+](=O)[O-]	ZINC000188568270	533138342	/nfs/dbraw/zinc/13/83/42/533138342.db2.gz	FNIAFPGAZDDVDF-SECBINFHSA-N	0	0	317.305	2.276	10	5		DEBERN
COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)C[C@H]1CCCO1	ZINC000156111248	197088002	/nfs/dbraw/zinc/08/80/02/197088002.db2.gz	ADIHPKUBSXONJN-LLVKDONJSA-N	0	0	309.322	2.246	10	5		DEBERN
COCCONCc1ccc([N+](=O)[O-])cc1Br	ZINC000156092789	197086381	/nfs/dbraw/zinc/08/63/81/197086381.db2.gz	GEMCBBRWPBDKRR-UHFFFAOYSA-N	0	0	305.128	2.025	10	5		DEBERN
O=C(NC[C@H]1CCC[C@H]1CO)c1cccc(Cl)c1[N+](=O)[O-]	ZINC000155981820	197078651	/nfs/dbraw/zinc/07/86/51/197078651.db2.gz	MHBCMXLFNMKXNM-ZJUUUORDSA-N	0	0	312.753	2.387	10	5		DEBERN
C[C@H]1CC[C@@H](C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)O1	ZINC000155631680	197073593	/nfs/dbraw/zinc/07/35/93/197073593.db2.gz	KYALZEKCSOHJNJ-GWCFXTLKSA-N	0	0	316.317	2.287	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(-c2ncccn2)c1	ZINC000151935288	196749359	/nfs/dbraw/zinc/74/93/59/196749359.db2.gz	OHTYAGBERMEHQV-UHFFFAOYSA-N	0	0	324.300	2.131	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC([C@H]2CCOC2)C1	ZINC000373417956	533404746	/nfs/dbraw/zinc/40/47/46/533404746.db2.gz	OADQHIQHMKCYFH-BCNIOPEESA-N	0	0	316.357	2.493	10	5		DEBERN
Cc1c(CC(=O)NCCOCC2CCC2)cccc1[N+](=O)[O-]	ZINC000562275904	291973430	/nfs/dbraw/zinc/97/34/30/291973430.db2.gz	WXUMUXJQIQFXPZ-UHFFFAOYSA-N	0	0	306.362	2.379	10	5		DEBERN
CC(=O)c1ccc(N[C@@H]2CCc3nc[nH]c3C2)c([N+](=O)[O-])c1	ZINC000357583652	133086522	/nfs/dbraw/zinc/08/65/22/133086522.db2.gz	RLAUZGQQZJZRJJ-LLVKDONJSA-N	0	0	300.318	2.490	10	5		DEBERN
CC(C)NC(=O)c1ccc(NC[C@@H](CO)C2CC2)c([N+](=O)[O-])c1	ZINC000357783402	133099879	/nfs/dbraw/zinc/09/98/79/133099879.db2.gz	ONIFXDPREUKUCB-ZDUSSCGKSA-N	0	0	321.377	2.163	10	5		DEBERN
Cc1c(CNC(=O)Cc2cccc(O)c2)cccc1[N+](=O)[O-]	ZINC000360539634	133188558	/nfs/dbraw/zinc/18/85/58/133188558.db2.gz	ITOXWMACBQRJKA-UHFFFAOYSA-N	0	0	300.314	2.468	10	5		DEBERN
CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](CCO)C2)c1	ZINC000123045380	144696303	/nfs/dbraw/zinc/69/63/03/144696303.db2.gz	UGIDGDXZVZYHMN-JTQLQIEISA-N	0	0	310.375	2.161	10	5		DEBERN
Cc1ccc(CNc2nc(-c3nccn3C)no2)cc1[N+](=O)[O-]	ZINC000181528471	144906566	/nfs/dbraw/zinc/90/65/66/144906566.db2.gz	QXMNLVZEZQDGDJ-UHFFFAOYSA-N	0	0	314.305	2.299	10	5		DEBERN
Nc1ccc([N+](=O)[O-])c(N2CCO[C@H](c3cccc(O)c3)C2)c1	ZINC000192800708	145079498	/nfs/dbraw/zinc/07/94/98/145079498.db2.gz	XFWWMXJQGVEHEG-INIZCTEOSA-N	0	0	315.329	2.461	10	5		DEBERN
O=C(N[C@@H]1C[C@H]2OCCC[C@@H]12)c1cc(F)c(F)cc1[N+](=O)[O-]	ZINC000251889433	145196773	/nfs/dbraw/zinc/19/67/73/145196773.db2.gz	QFFHWJLHPOEOKM-HOCOFYGGSA-N	0	0	312.272	2.170	10	5		DEBERN
Cc1ccc([C@H](C)NC(=O)[C@H]2CC(F)(F)CN2)cc1[N+](=O)[O-]	ZINC000263081312	145323617	/nfs/dbraw/zinc/32/36/17/145323617.db2.gz	XOTXEWIKAAJRCQ-GXSJLCMTSA-N	0	0	313.304	2.078	10	5		DEBERN
O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cnn2c1CCCC2	ZINC000126396923	401692830	/nfs/dbraw/zinc/69/28/30/401692830.db2.gz	PGUCUIRHQUJNBF-UHFFFAOYSA-N	0	0	314.345	2.100	10	5		DEBERN
Cc1nn(C)c(NCC[C@H]2c3ccccc3NC2=O)c1[N+](=O)[O-]	ZINC000114708590	401807144	/nfs/dbraw/zinc/80/71/44/401807144.db2.gz	PFJUFWGVQMPDSF-NSHDSACASA-N	0	0	315.333	2.175	10	5		DEBERN
CC1(C)CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC000112707055	401755172	/nfs/dbraw/zinc/75/51/72/401755172.db2.gz	OFDGBFHYHJJVKW-UHFFFAOYSA-N	0	0	304.393	2.467	10	5		DEBERN
Cc1c([N+](=O)[O-])cc(C(=O)N2[C@H](C)COC[C@H]2C)cc1[N+](=O)[O-]	ZINC000130622543	401836245	/nfs/dbraw/zinc/83/62/45/401836245.db2.gz	UIPGUPAMCVKENL-RKDXNWHRSA-N	0	0	323.305	2.061	10	5		DEBERN
CC(C)N(CC(F)F)S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000134595556	401907796	/nfs/dbraw/zinc/90/77/96/401907796.db2.gz	IMBHUHXHZLZVKM-UHFFFAOYSA-N	0	0	314.335	2.321	10	5		DEBERN
O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCN(C2CC2)CC1	ZINC000038106735	401922182	/nfs/dbraw/zinc/92/21/82/401922182.db2.gz	JQHRBMXXVQRAHC-UHFFFAOYSA-N	0	0	309.753	2.168	10	5		DEBERN
CSc1ccc(C(=O)NC[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-]	ZINC000089162926	401937916	/nfs/dbraw/zinc/93/79/16/401937916.db2.gz	CQZCQDLTMSLNFJ-CMPLNLGQSA-N	0	0	310.375	2.208	10	5		DEBERN
O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCC[C@H]1CO	ZINC000151059652	402013669	/nfs/dbraw/zinc/01/36/69/402013669.db2.gz	CVANVHBNYVVVPY-FZMZJTMJSA-N	0	0	324.402	2.354	10	5		DEBERN
O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCC[C@@H]1CO	ZINC000151059551	402013731	/nfs/dbraw/zinc/01/37/31/402013731.db2.gz	CVANVHBNYVVVPY-RISCZKNCSA-N	0	0	324.402	2.354	10	5		DEBERN
Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)o1	ZINC000048983545	402010304	/nfs/dbraw/zinc/01/03/04/402010304.db2.gz	PPPVUFNIRRZNTH-JTQLQIEISA-N	0	0	317.301	2.312	10	5		DEBERN
C[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1	ZINC000054647566	402070468	/nfs/dbraw/zinc/07/04/68/402070468.db2.gz	ZAMJSQQDXNMMOE-BXUZGUMPSA-N	0	0	307.350	2.004	10	5		DEBERN
C[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CCOCC1	ZINC000122152552	402064131	/nfs/dbraw/zinc/06/41/31/402064131.db2.gz	FQDHKRGKSDTSOY-GFCCVEGCSA-N	0	0	306.362	2.316	10	5		DEBERN
C[C@@H](NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](C)CO	ZINC000097597561	402127974	/nfs/dbraw/zinc/12/79/74/402127974.db2.gz	SSBMJWRNNDAFOF-HTQZYQBOSA-N	0	0	301.730	2.387	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccnc1N(C)C	ZINC000067163867	402153513	/nfs/dbraw/zinc/15/35/13/402153513.db2.gz	HYBMVDPDIJAKEY-UHFFFAOYSA-N	0	0	314.345	2.294	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCn2ccnc2C1	ZINC000070231908	402258731	/nfs/dbraw/zinc/25/87/31/402258731.db2.gz	HZSLEVHSXXDEAB-UHFFFAOYSA-N	0	0	306.709	2.101	10	5		DEBERN
CC[C@@H](NC(=O)NCC1(C)COC1)c1cccc([N+](=O)[O-])c1	ZINC000176209471	402290702	/nfs/dbraw/zinc/29/07/02/402290702.db2.gz	JIBKVMIJSBDYOT-CYBMUJFWSA-N	0	0	307.350	2.382	10	5		DEBERN
Cc1c(F)cc(S(=O)(=O)N[C@H]2CC=CCC2)cc1[N+](=O)[O-]	ZINC000184779134	402299230	/nfs/dbraw/zinc/29/92/30/402299230.db2.gz	QHGUZZDAMJQSAT-JTQLQIEISA-N	0	0	314.338	2.429	10	5		DEBERN
Cc1nc2cc(NC(=O)c3c([N+](=O)[O-])cnn3C)ccc2o1	ZINC000160577642	402352100	/nfs/dbraw/zinc/35/21/00/402352100.db2.gz	GXOGLMAGQBUBMU-UHFFFAOYSA-N	0	0	301.262	2.030	10	5		DEBERN
CN(C)c1ncccc1N(C)C(=O)c1cccc([N+](=O)[O-])c1	ZINC000176798105	402338418	/nfs/dbraw/zinc/33/84/18/402338418.db2.gz	LHBFKIPAPZBFLJ-UHFFFAOYSA-N	0	0	300.318	2.332	10	5		DEBERN
CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCc2n[nH]cc21	ZINC000177382328	402396777	/nfs/dbraw/zinc/39/67/77/402396777.db2.gz	VEUAEWAPEVIBPC-LBPRGKRZSA-N	0	0	314.345	2.396	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1	ZINC000162576820	402424920	/nfs/dbraw/zinc/42/49/20/402424920.db2.gz	GFECAOHPZAPAOW-WDEREUQCSA-N	0	0	320.349	2.069	10	5		DEBERN
CCNC(=O)CCCC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1	ZINC000177813797	402438454	/nfs/dbraw/zinc/43/84/54/402438454.db2.gz	DPXSVIFBKXMYNE-CQSZACIVSA-N	0	0	321.377	2.469	10	5		DEBERN
COC(=O)[C@H]1CN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H](C)O1	ZINC000245538997	402469255	/nfs/dbraw/zinc/46/92/55/402469255.db2.gz	ZMSSIFRCZNTXBB-TYNCELHUSA-N	0	0	322.361	2.227	10	5		DEBERN
C[C@@H]1CC(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1	ZINC000179461736	402590529	/nfs/dbraw/zinc/59/05/29/402590529.db2.gz	JELJULAWOIBEFL-VXGBXAGGSA-N	0	0	306.362	2.457	10	5		DEBERN
O=C(Cc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1c1nc[nH]n1	ZINC000181184482	402637757	/nfs/dbraw/zinc/63/77/57/402637757.db2.gz	HJPFCTDJDDAMLN-CYBMUJFWSA-N	0	0	315.333	2.009	10	5		DEBERN
Cc1cnc(COC(=O)[C@H]2CCCO[C@H]2C)c(C)c1[N+](=O)[O-]	ZINC000192302657	402721582	/nfs/dbraw/zinc/72/15/82/402721582.db2.gz	RBLDWHITJWGLDH-RYUDHWBXSA-N	0	0	308.334	2.465	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1CN1CCN(c2cccnn2)CC1	ZINC000183314687	402755705	/nfs/dbraw/zinc/75/57/05/402755705.db2.gz	GDSYJFREPHHOGY-UHFFFAOYSA-N	0	0	313.361	2.015	10	5		DEBERN
CS[C@@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1	ZINC000265290614	402907970	/nfs/dbraw/zinc/90/79/70/402907970.db2.gz	CXUAARRJLNTXJN-PSASIEDQSA-N	0	0	310.379	2.175	10	5		DEBERN
Cn1cc([C@@]2(C)CN(c3ccc([N+](=O)[O-])cc3)CCO2)cn1	ZINC000268386169	403078511	/nfs/dbraw/zinc/07/85/11/403078511.db2.gz	KUVIIENNLUFYOQ-OAHLLOKOSA-N	0	0	302.334	2.080	10	5		DEBERN
CC(=O)c1cc(N2CCO[C@]3(CCCOC3)C2)ccc1[N+](=O)[O-]	ZINC000286683477	403541732	/nfs/dbraw/zinc/54/17/32/403541732.db2.gz	WZDJMDZWVLZONW-MRXNPFEDSA-N	0	0	320.345	2.183	10	5		DEBERN
Cc1cc(NCc2nc(-c3ccco3)n[nH]2)ncc1[N+](=O)[O-]	ZINC000301428523	403628115	/nfs/dbraw/zinc/62/81/15/403628115.db2.gz	IQECEJNTIXXIEU-UHFFFAOYSA-N	0	0	300.278	2.288	10	5		DEBERN
O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCCC12CCC2	ZINC000365536791	404685307	/nfs/dbraw/zinc/68/53/07/404685307.db2.gz	UJGHPOPZRXKGOA-UHFFFAOYSA-N	0	0	310.375	2.443	10	5		DEBERN
O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H]2CCC[C@@H]21	ZINC000408158656	405126671	/nfs/dbraw/zinc/12/66/71/405126671.db2.gz	LTURKTYOMIWXDN-ZANVPECISA-N	0	0	300.318	2.486	10	5		DEBERN
C[C@H]1CN(C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000408111762	405115140	/nfs/dbraw/zinc/11/51/40/405115140.db2.gz	DYKSLFCDMXNNFD-VIFPVBQESA-N	0	0	312.757	2.416	10	5		DEBERN
CCC[C@@](C)(O)CNC(=O)c1ccc(OCC)c([N+](=O)[O-])c1	ZINC000440559426	405317496	/nfs/dbraw/zinc/31/74/96/405317496.db2.gz	LNLDVOUKQDXTAV-OAHLLOKOSA-N	0	0	310.350	2.274	10	5		DEBERN
Cc1ccc(/C=C\c2nc(-c3c([N+](=O)[O-])ncn3C)no2)cn1	ZINC000445578061	405353287	/nfs/dbraw/zinc/35/32/87/405353287.db2.gz	BLYOHVPZJMCWMF-WAYWQWQTSA-N	0	0	312.289	2.252	10	5		DEBERN
CC(=O)CSCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C	ZINC000447351834	405411524	/nfs/dbraw/zinc/41/15/24/405411524.db2.gz	SZLQBPDJWRKLOQ-VIFPVBQESA-N	0	0	308.359	2.195	10	5		DEBERN
CC[C@@H]1C(=O)N(CC)CCN1c1nc(C)cc(C)c1[N+](=O)[O-]	ZINC000570622947	406417273	/nfs/dbraw/zinc/41/72/73/406417273.db2.gz	XIZMSQKXTWOETE-GFCCVEGCSA-N	0	0	306.366	2.054	10	5		DEBERN
CC1(C)CC(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1	ZINC000548373992	406508345	/nfs/dbraw/zinc/50/83/45/406508345.db2.gz	WDUCWOOHLUOLCX-UHFFFAOYSA-N	0	0	312.391	2.450	10	5		DEBERN
NC(=O)c1cc([N+](=O)[O-])c(Br)cc1OC(F)F	ZINC000575684422	406817826	/nfs/dbraw/zinc/81/78/26/406817826.db2.gz	VFGGCEZUNKULJN-UHFFFAOYSA-N	0	0	311.038	2.058	10	5		DEBERN
NC(=O)c1c(OC(F)F)ccc([N+](=O)[O-])c1Br	ZINC000575684852	406817994	/nfs/dbraw/zinc/81/79/94/406817994.db2.gz	XPQLHVFRVCMUSW-UHFFFAOYSA-N	0	0	311.038	2.058	10	5		DEBERN
COC(=O)c1cc(C)c([N+](=O)[O-])cc1I	ZINC000575714617	406822737	/nfs/dbraw/zinc/82/27/37/406822737.db2.gz	LFJKWHHREIKSOG-UHFFFAOYSA-N	0	0	321.070	2.294	10	5		DEBERN
COC(=O)c1cc(N(C)CCn2cccn2)cc(C)c1[N+](=O)[O-]	ZINC000130657193	196098527	/nfs/dbraw/zinc/09/85/27/196098527.db2.gz	BYYJWMUIRHUDBL-UHFFFAOYSA-N	0	0	318.333	2.023	10	5		DEBERN
C[C@H]1CC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2F)C1	ZINC000131937336	196211817	/nfs/dbraw/zinc/21/18/17/196211817.db2.gz	BSIXKWOROAFNNX-IUCAKERBSA-N	0	0	302.327	2.201	10	5		DEBERN
CCS(=O)(=O)C[C@H](C)Nc1cc([N+](=O)[O-])c(F)cc1F	ZINC000132224181	196237052	/nfs/dbraw/zinc/23/70/52/196237052.db2.gz	FSCWJILWUISODK-ZETCQYMHSA-N	0	0	308.306	2.108	10	5		DEBERN
CCS(=O)(=O)C[C@H](C)Nc1cc([N+](=O)[O-])c(C)cc1C	ZINC000132312601	196244071	/nfs/dbraw/zinc/24/40/71/196244071.db2.gz	BGFAZGJLFGPYJD-NSHDSACASA-N	0	0	300.380	2.447	10	5		DEBERN
Cc1c(F)cc(S(=O)(=O)N[C@@H](C)C(C)C)cc1[N+](=O)[O-]	ZINC000132613490	196271193	/nfs/dbraw/zinc/27/11/93/196271193.db2.gz	GLGJSFKDBVHMAM-VIFPVBQESA-N	0	0	304.343	2.365	10	5		DEBERN
CC[S@](=O)CCNc1c(F)cc([N+](=O)[O-])c2cccnc21	ZINC000133220736	196322297	/nfs/dbraw/zinc/32/22/97/196322297.db2.gz	DFEILDUQBSKQDB-OAQYLSRUSA-N	0	0	311.338	2.463	10	5		DEBERN
COc1cccc(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])n1	ZINC000134089007	196360083	/nfs/dbraw/zinc/36/00/83/196360083.db2.gz	KLQQUMXQIPZVFU-UHFFFAOYSA-N	0	0	305.265	2.068	10	5		DEBERN
O=C(NCC1(CCO)CC1)c1ccc([N+](=O)[O-])c2cccnc12	ZINC000188010046	225007029	/nfs/dbraw/zinc/00/70/29/225007029.db2.gz	MLEFOFSYYVDGIO-UHFFFAOYSA-N	0	0	315.329	2.035	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)c2ccccn2)n1	ZINC000191579092	225113701	/nfs/dbraw/zinc/11/37/01/225113701.db2.gz	INFHKWKNEUZKRF-SNVBAGLBSA-N	0	0	303.322	2.039	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccncc2)C2CC2)n1	ZINC000191782870	225117500	/nfs/dbraw/zinc/11/75/00/225117500.db2.gz	QMQJXLLJEIMALV-UHFFFAOYSA-N	0	0	315.333	2.011	10	5		DEBERN
C[C@H](Nc1ncccc1[N+](=O)[O-])C(=O)N1CCc2ccccc21	ZINC000301152081	229531355	/nfs/dbraw/zinc/53/13/55/229531355.db2.gz	DLWJYCHKIPLITH-NSHDSACASA-N	0	0	312.329	2.380	10	5		DEBERN
O=C(Nc1cc([C@@H]2CCCO2)[nH]n1)Nc1ccc([N+](=O)[O-])cc1	ZINC000357375281	424815683	/nfs/dbraw/zinc/81/56/83/424815683.db2.gz	MWXZYCIZCYIHCZ-LBPRGKRZSA-N	0	0	317.305	2.813	10	5		DEBERN
O=C(Nc1ccc2c(c1)OCC(=O)N2)c1csc([N+](=O)[O-])c1	ZINC000193443343	424869556	/nfs/dbraw/zinc/86/95/56/424869556.db2.gz	DAYFXSMCPXPLNU-UHFFFAOYSA-N	0	0	319.298	2.240	10	5		DEBERN
C=Cc1ccc(CCNc2ccc3ncc([N+](=O)[O-])n3n2)cc1	ZINC000461868391	425107739	/nfs/dbraw/zinc/10/77/39/425107739.db2.gz	SYYIWPGXGMTNER-UHFFFAOYSA-N	0	0	309.329	2.935	10	5		DEBERN
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCOc3ccccc32)c1	ZINC000074786412	267373844	/nfs/dbraw/zinc/37/38/44/267373844.db2.gz	LUTZEZRJUVMAJW-UHFFFAOYSA-N	0	0	320.326	2.183	10	5		DEBERN
CC(C)C(=O)N[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1	ZINC000301137303	277334601	/nfs/dbraw/zinc/33/46/01/277334601.db2.gz	BXHONYQAKAJEQF-GFCCVEGCSA-N	0	0	309.341	2.475	10	5		DEBERN
COc1cc(F)c([N+](=O)[O-])c(N2CCC(n3ccnn3)CC2)c1	ZINC000302006655	277822748	/nfs/dbraw/zinc/82/27/48/277822748.db2.gz	AJDZWAUVRNKZRU-UHFFFAOYSA-N	0	0	321.312	2.176	10	5		DEBERN
CCO[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])s2)C12CCOCC2	ZINC000192534525	279936853	/nfs/dbraw/zinc/93/68/53/279936853.db2.gz	BQVMMVJUVJTQNJ-UWVGGRQHSA-N	0	0	313.379	2.437	10	5		DEBERN
Cc1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)n(C)n1	ZINC000103375121	280345842	/nfs/dbraw/zinc/34/58/42/280345842.db2.gz	SRXLXTWPDXDHQQ-SNVBAGLBSA-N	0	0	300.318	2.228	10	5		DEBERN
CC[C@H]1CN(c2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@@H](C)O1	ZINC000302094811	281175978	/nfs/dbraw/zinc/17/59/78/281175978.db2.gz	NOOLFXHJUYWZCV-PWSUYJOCSA-N	0	0	308.334	2.385	10	5		DEBERN
CCC(CC)(CNC(=O)c1cc([N+](=O)[O-])cnc1C)C(=O)OC	ZINC000128634406	281891204	/nfs/dbraw/zinc/89/12/04/281891204.db2.gz	CDGLPBMRBXINHT-UHFFFAOYSA-N	0	0	323.349	2.007	10	5		DEBERN
Cc1nc2n(n1)CCC[C@H]2NC(=O)c1c(C)cccc1[N+](=O)[O-]	ZINC000194815559	302677996	/nfs/dbraw/zinc/67/79/96/302677996.db2.gz	QYALEKIIRAUBQQ-LLVKDONJSA-N	0	0	315.333	2.068	10	5		DEBERN
O=C(CCn1cc([N+](=O)[O-])cn1)NC/C=C/c1ccccc1	ZINC000171993859	325725572	/nfs/dbraw/zinc/72/55/72/325725572.db2.gz	INPDLVRNFPJZEI-QPJJXVBHSA-N	0	0	300.318	2.011	10	5		DEBERN
O=C(NCCCC1CC1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1	ZINC000580061587	332922715	/nfs/dbraw/zinc/92/27/15/332922715.db2.gz	BYXAEPXBVKYCPB-UHFFFAOYSA-N	0	0	317.349	2.461	10	5		DEBERN
COc1cc(F)c([N+](=O)[O-])c(NCc2nc(CO)cs2)c1	ZINC000302473976	533996155	/nfs/dbraw/zinc/99/61/55/533996155.db2.gz	USZYOQWHFDDECI-UHFFFAOYSA-N	0	0	313.310	2.303	10	5		DEBERN
C[C@H]1COCC[C@@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000192829689	534035238	/nfs/dbraw/zinc/03/52/38/534035238.db2.gz	DDWYULYVQXADMM-WPRPVWTQSA-N	0	0	304.306	2.082	10	5		DEBERN
COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCC[C@H]2CCO)c1	ZINC000302461486	534246631	/nfs/dbraw/zinc/24/66/31/534246631.db2.gz	RNOMKKRGYBEZBA-JQWIXIFHSA-N	0	0	308.334	2.344	10	5		DEBERN
Cc1nc(C[C@@H]2CCCN(c3ccc([N+](=O)[O-])cn3)C2)no1	ZINC000299635018	534411229	/nfs/dbraw/zinc/41/12/29/534411229.db2.gz	UOXSHPPDFOKZBP-NSHDSACASA-N	0	0	303.322	2.140	10	5		DEBERN
C[C@H]1CCOCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1	ZINC000367719236	524317200	/nfs/dbraw/zinc/31/72/00/524317200.db2.gz	HRJGOBASCZIAJY-ZDUSSCGKSA-N	0	0	321.377	2.424	10	5		DEBERN
CC(C)Oc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)nn1	ZINC000191315584	528183823	/nfs/dbraw/zinc/18/38/23/528183823.db2.gz	CSQFYSMQKYMFKA-UHFFFAOYSA-N	0	0	316.317	2.353	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC)cc2C)n1	ZINC000191592662	529154757	/nfs/dbraw/zinc/15/47/57/529154757.db2.gz	RYOQFLNNVBVJQW-UHFFFAOYSA-N	0	0	304.306	2.381	10	5		DEBERN
CCOc1cc(OCc2nnnn2C(C)C)ccc1[N+](=O)[O-]	ZINC000188585288	535688462	/nfs/dbraw/zinc/68/84/62/535688462.db2.gz	ODOIRKDBNSAURO-UHFFFAOYSA-N	0	0	307.310	2.140	10	5		DEBERN
CNS(=O)(=O)c1ccc(NC[C@@H](C)C(C)C)c([N+](=O)[O-])c1	ZINC000172615064	536319760	/nfs/dbraw/zinc/31/97/60/536319760.db2.gz	PWOLFIZWDMSLEP-SNVBAGLBSA-N	0	0	315.395	2.207	10	5		DEBERN
CC(=O)c1ccc([N+](=O)[O-])cc1NCCCN1CCCC1=O	ZINC000807915679	623549923	/nfs/dbraw/zinc/54/99/23/623549923.db2.gz	GYFUSDUJXGQRTO-UHFFFAOYSA-N	0	0	305.334	2.222	10	5		DEBERN
Cc1c(C(=O)OCCN2CCSCC2)cccc1[N+](=O)[O-]	ZINC000127723324	624891780	/nfs/dbraw/zinc/89/17/80/624891780.db2.gz	PUAVTQPHHASOGS-UHFFFAOYSA-N	0	0	310.375	2.109	10	5		DEBERN
Cc1nn(C)cc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000179541138	625796207	/nfs/dbraw/zinc/79/62/07/625796207.db2.gz	OPRJVJCBBNDLDB-UHFFFAOYSA-N	0	0	313.317	2.299	10	5		DEBERN
C[C@@H]1CO[C@H](c2ccccc2)CN1Cn1cc([N+](=O)[O-])cn1	ZINC000066795048	625839120	/nfs/dbraw/zinc/83/91/20/625839120.db2.gz	XLVKTUPMSUQQDB-DOMZBBRYSA-N	0	0	302.334	2.211	10	5		DEBERN
CCOC(=O)[C@@H](C)OC(=O)c1ccc(OCC)c([N+](=O)[O-])c1	ZINC000725917700	633130296	/nfs/dbraw/zinc/13/02/96/633130296.db2.gz	IDHKMUUKTZVRGR-SECBINFHSA-N	0	0	311.290	2.102	10	5		DEBERN
CN(CCOC(=O)Cc1ccoc1)c1ccc([N+](=O)[O-])cc1	ZINC000124980915	633464925	/nfs/dbraw/zinc/46/49/25/633464925.db2.gz	FZTZDVRPZHNNRJ-UHFFFAOYSA-N	0	0	304.302	2.410	10	5		DEBERN
C/C(=C\C(=O)NCc1noc(C)n1)c1ccc([N+](=O)[O-])cc1	ZINC000752387485	639179620	/nfs/dbraw/zinc/17/96/20/639179620.db2.gz	BNFIRUNIVPLRRB-VQHVLOKHSA-N	0	0	302.290	2.006	10	5		DEBERN
C/C(=C\C(=O)N(C)C[C@@H](O)C1CC1)c1ccc([N+](=O)[O-])cc1	ZINC000752524199	639193696	/nfs/dbraw/zinc/19/36/96/639193696.db2.gz	KUORJFLSWBCBCC-SLZMIMFISA-N	0	0	304.346	2.227	10	5		DEBERN
C/C(=C/C(=O)N[C@@H](CCO)C1CC1)c1ccc([N+](=O)[O-])cc1	ZINC000752581055	639200155	/nfs/dbraw/zinc/20/01/55/639200155.db2.gz	MRKPFCFWWWZNLV-WOLCWHLNSA-N	0	0	304.346	2.275	10	5		DEBERN
Cc1cc(C)n(CC(=O)OCc2c(F)cccc2[N+](=O)[O-])n1	ZINC000728990679	639678572	/nfs/dbraw/zinc/67/85/72/639678572.db2.gz	MVYCMPJEYJZENR-UHFFFAOYSA-N	0	0	307.281	2.291	10	5		DEBERN
CCOc1ccc(C(=O)O[C@H](C)c2nncn2C)cc1[N+](=O)[O-]	ZINC000805369350	641096198	/nfs/dbraw/zinc/09/61/98/641096198.db2.gz	UMPOFPCPUAMSPE-SECBINFHSA-N	0	0	320.305	2.040	10	5		DEBERN
C[C@H]1[C@@H](O)CCCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1	ZINC000908697749	644959748	/nfs/dbraw/zinc/95/97/48/644959748.db2.gz	VUGZMPNAJIUKPI-CPCISQLKSA-N	0	0	316.716	2.373	10	5		DEBERN
O=[N+]([O-])c1ccc2oc(CN3CCO[C@@H](C(F)F)C3)nc2c1	ZINC000801565143	645417318	/nfs/dbraw/zinc/41/73/18/645417318.db2.gz	CDUQSGHYDZHKFU-LLVKDONJSA-N	0	0	313.260	2.202	10	5		DEBERN
O=C(OCCn1cnc([N+](=O)[O-])n1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	ZINC000166860075	646538042	/nfs/dbraw/zinc/53/80/42/646538042.db2.gz	PFWRSIVXKGSXEV-YNEHKIRRSA-N	0	0	322.365	2.336	10	5		DEBERN
C[C@H]1CN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CCS1	ZINC000172902256	646753663	/nfs/dbraw/zinc/75/36/63/646753663.db2.gz	MTMOUQUMCGUZTO-NSHDSACASA-N	0	0	319.390	2.248	10	5		DEBERN
C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)N(C)CC1CC1	ZINC000153128198	647359456	/nfs/dbraw/zinc/35/94/56/647359456.db2.gz	PEWUXAIGUITTOV-NSHDSACASA-N	0	0	303.362	2.214	10	5		DEBERN
CNC(=O)c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2C)c1	ZINC000154074095	647884296	/nfs/dbraw/zinc/88/42/96/647884296.db2.gz	BOPMATUWGBJCGD-UHFFFAOYSA-N	0	0	314.297	2.482	10	5		DEBERN
COc1cccc([C@@H](C)OC(=O)Cn2ccc([N+](=O)[O-])n2)c1	ZINC000174858111	648056216	/nfs/dbraw/zinc/05/62/16/648056216.db2.gz	FFDSMGHRCUEUDL-SNVBAGLBSA-N	0	0	305.290	2.104	10	5		DEBERN
Cc1ccccc1[C@H](O)CNC(=O)c1cc([N+](=O)[O-])cnc1C	ZINC000112396541	651512469	/nfs/dbraw/zinc/51/24/69/651512469.db2.gz	AFEMMTUFDCXGTB-OAHLLOKOSA-N	0	0	315.329	2.070	10	5		DEBERN
Cc1noc(C)c1CN(C)C(=O)c1cc([N+](=O)[O-])cnc1C	ZINC000047644585	683911106	/nfs/dbraw/zinc/91/11/06/683911106.db2.gz	DKMCPPXEOYRRNI-UHFFFAOYSA-N	0	0	304.306	2.175	10	5		DEBERN
Cc1cc(NC(=O)CN2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)on1	ZINC000076940821	683948299	/nfs/dbraw/zinc/94/82/99/683948299.db2.gz	XIIFOVQWZHVZOP-JTQLQIEISA-N	0	0	316.317	2.281	10	5		DEBERN
C[C@H](OC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccc([N+](=O)[O-])cc1	ZINC000138335498	684246185	/nfs/dbraw/zinc/24/61/85/684246185.db2.gz	AZQKQYSMWJEBAM-VIFPVBQESA-N	0	0	320.261	2.004	10	5		DEBERN
CO[C@]1(CO)CCCN(c2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000401906006	801858080	/nfs/dbraw/zinc/85/80/80/801858080.db2.gz	HPDYMTQNVFHGMP-CYBMUJFWSA-N	0	0	300.742	2.226	10	5		DEBERN
Nc1c(C(=O)NCc2cnc(Cl)s2)cccc1[N+](=O)[O-]	ZINC000718881739	1088691128	/nfs/dbraw/zinc/69/11/28/1088691128.db2.gz	TWVKRUINRYAZRN-UHFFFAOYSA-N	0	0	312.738	2.217	10	5		DEBERN
CCn1c(C)nc([N+](=O)[O-])c1NC[C@@]1(OC)CCSC1	ZINC000719244306	1091975153	/nfs/dbraw/zinc/97/51/53/1091975153.db2.gz	ZOILXTXRPDAATN-LBPRGKRZSA-N	0	0	300.384	2.054	10	5		DEBERN
Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000081582164	282099929	/nfs/dbraw/zinc/09/99/29/282099929.db2.gz	ZHCOJPQWFAWAFK-VIFPVBQESA-N	0	0	321.362	2.130	10	5		DEBERN
CSCC[C@@H](C)N(C)C(=O)c1cc(NN)ccc1[N+](=O)[O-]	ZINC000162228042	197553836	/nfs/dbraw/zinc/55/38/36/197553836.db2.gz	ZFFYCPWBCAJRQB-SECBINFHSA-N	0	0	312.395	2.094	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(CC(=O)Nc2cccc(Cl)c2)c1=O	ZINC000096778140	185387115	/nfs/dbraw/zinc/38/71/15/185387115.db2.gz	CXAFNSYYEUHBPV-UHFFFAOYSA-N	0	0	321.720	2.357	10	5		DEBERN
CCc1ccccc1NC(=O)Cn1cc([N+](=O)[O-])cc(C)c1=O	ZINC000096778104	185387172	/nfs/dbraw/zinc/38/71/72/185387172.db2.gz	PQMYIKXELQMALO-UHFFFAOYSA-N	0	0	315.329	2.266	10	5		DEBERN
CNc1nc2nc[nH]c2c(Sc2ccc([N+](=O)[O-])cc2)n1	ZINC000165530510	197677587	/nfs/dbraw/zinc/67/75/87/197677587.db2.gz	JTBMESSAOPKZDA-UHFFFAOYSA-N	0	0	302.319	2.454	10	5		DEBERN
O=C1NCCC[C@@H]1Nc1cc(Br)ccc1[N+](=O)[O-]	ZINC000087834442	185232755	/nfs/dbraw/zinc/23/27/55/185232755.db2.gz	WSRUQUQLLSSCKL-QMMMGPOBSA-N	0	0	314.139	2.048	10	5		DEBERN
O=[N+]([O-])c1cc(S(=O)(=O)NCCC2CC2)ccc1Cl	ZINC000088456215	185251645	/nfs/dbraw/zinc/25/16/45/185251645.db2.gz	YDNDPSAPPJHCSW-UHFFFAOYSA-N	0	0	304.755	2.327	10	5		DEBERN
O=[N+]([O-])c1nn([C@H]2CCCCC[C@@H]2O)cc1Br	ZINC000088765779	185264542	/nfs/dbraw/zinc/26/45/42/185264542.db2.gz	WJQTWIVSOJGUGU-IUCAKERBSA-N	0	0	304.144	2.420	10	5		DEBERN
O=C(c1ccnc(Cl)c1[N+](=O)[O-])N1CCO[C@@H]2CCC[C@@H]21	ZINC000088805967	185266185	/nfs/dbraw/zinc/26/61/85/185266185.db2.gz	FBVUNVSONWIJFB-VHSXEESVSA-N	0	0	311.725	2.037	10	5		DEBERN
O=C(NCCc1cscn1)c1ccnc(Cl)c1[N+](=O)[O-]	ZINC000088806287	185266193	/nfs/dbraw/zinc/26/61/93/185266193.db2.gz	ZIBLDYRAGCATPI-UHFFFAOYSA-N	0	0	312.738	2.072	10	5		DEBERN
O=C(Nc1cccc(CO)c1)c1ccnc(Cl)c1[N+](=O)[O-]	ZINC000088803979	185266236	/nfs/dbraw/zinc/26/62/36/185266236.db2.gz	YGAIFMANVFLUMO-UHFFFAOYSA-N	0	0	307.693	2.388	10	5		DEBERN
COC(=O)C[C@H](C)[S@](=O)Cc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000090101513	185281899	/nfs/dbraw/zinc/28/18/99/185281899.db2.gz	ZKGMYVZVZZZQSE-FHZGZLOMSA-N	0	0	319.766	2.449	10	5		DEBERN
COc1nc(C)cc(=O)n1Cc1cc([N+](=O)[O-])ccc1Cl	ZINC000092836140	185345093	/nfs/dbraw/zinc/34/50/93/185345093.db2.gz	MWLZQQPPIMUADZ-UHFFFAOYSA-N	0	0	309.709	2.170	10	5		DEBERN
CCN(CC(F)F)S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-]	ZINC000186453323	282277227	/nfs/dbraw/zinc/27/72/27/282277227.db2.gz	HEDLOQFCOIMNBB-UHFFFAOYSA-N	0	0	322.333	2.487	10	5		DEBERN
COc1ccc(F)cc1CNc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000189103964	282307836	/nfs/dbraw/zinc/30/78/36/282307836.db2.gz	STBKVFSLRKCDOF-UHFFFAOYSA-N	0	0	319.292	2.454	10	5		DEBERN
COc1ccc(Oc2nc(Cl)nc(OC)n2)c([N+](=O)[O-])c1	ZINC000061514243	190694219	/nfs/dbraw/zinc/69/42/19/190694219.db2.gz	JTRNXSBZWXZEDR-UHFFFAOYSA-N	0	0	312.669	2.243	10	5		DEBERN
Cc1c(CN2CCN(c3cccnn3)CC2)cccc1[N+](=O)[O-]	ZINC000170649078	197800365	/nfs/dbraw/zinc/80/03/65/197800365.db2.gz	PHOHNJKZBOFWIN-UHFFFAOYSA-N	0	0	313.361	2.015	10	5		DEBERN
CCOC(=O)CC(=O)COc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000068815545	190784584	/nfs/dbraw/zinc/78/45/84/190784584.db2.gz	QYJFNPAHMUBBLJ-UHFFFAOYSA-N	0	0	301.682	2.149	10	5		DEBERN
Cn1nc(I)c2c1cccc2[N+](=O)[O-]	ZINC000616567832	362891746	/nfs/dbraw/zinc/89/17/46/362891746.db2.gz	FNGBLOAACABSNX-UHFFFAOYSA-N	0	0	303.059	2.086	10	5		DEBERN
CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C1CCC1	ZINC000138103316	186014539	/nfs/dbraw/zinc/01/45/39/186014539.db2.gz	HZSWZHNOJFESTK-VIFPVBQESA-N	0	0	313.379	2.103	10	5		DEBERN
C[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)N1C	ZINC000141954354	186031274	/nfs/dbraw/zinc/03/12/74/186031274.db2.gz	PMVZSHISEJEEKZ-UWVGGRQHSA-N	0	0	311.769	2.413	10	5		DEBERN
C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)N1C	ZINC000141956194	186031571	/nfs/dbraw/zinc/03/15/71/186031571.db2.gz	LDKDVBXLROBKTQ-UWVGGRQHSA-N	0	0	311.769	2.413	10	5		DEBERN
C[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1	ZINC000055280406	354491381	/nfs/dbraw/zinc/49/13/81/354491381.db2.gz	KHPPCLSQPCACBI-YPMHNXCESA-N	0	0	308.334	2.047	10	5		DEBERN
C[C@@H]1COC[C@@H](C)N1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1	ZINC000077138230	355184047	/nfs/dbraw/zinc/18/40/47/355184047.db2.gz	NGMVQSCLACETSB-NXEZZACHSA-N	0	0	303.318	2.326	10	5		DEBERN
C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccncc1	ZINC000074825913	191368002	/nfs/dbraw/zinc/36/80/02/191368002.db2.gz	CAXVOCYZVJPZFM-JTQLQIEISA-N	0	0	307.331	2.029	10	5		DEBERN
COC(=O)[C@@H]1CCCN(c2cc(OC)cc(F)c2[N+](=O)[O-])C1	ZINC000092648953	355641925	/nfs/dbraw/zinc/64/19/25/355641925.db2.gz	AFSWKUOZONUEMS-SECBINFHSA-N	0	0	312.297	2.132	10	5		DEBERN
COC(=O)c1cc(N(C)C2CCC(CO)CC2)ccc1[N+](=O)[O-]	ZINC000092680995	355646718	/nfs/dbraw/zinc/64/67/18/355646718.db2.gz	PAVAXDXERCNMJL-UHFFFAOYSA-N	0	0	322.361	2.369	10	5		DEBERN
O=C(NCCCc1ccccn1)NCc1cccc([N+](=O)[O-])c1	ZINC000179188987	356016910	/nfs/dbraw/zinc/01/69/10/356016910.db2.gz	YWUIEEMORKVLAS-UHFFFAOYSA-N	0	0	314.345	2.422	10	5		DEBERN
Cc1cnn(CCNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1	ZINC000185254626	356204238	/nfs/dbraw/zinc/20/42/38/356204238.db2.gz	BRXAGEIGNAITSR-LLVKDONJSA-N	0	0	320.324	2.159	10	5		DEBERN
C[C@H]1CC[C@H](O)CN1c1ncc([N+](=O)[O-])cc1Br	ZINC000399329622	283151478	/nfs/dbraw/zinc/15/14/78/283151478.db2.gz	NUMBUCDOQAGMLZ-CBAPKCEASA-N	0	0	316.155	2.102	10	5		DEBERN
CNc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)C(C)C	ZINC000081112997	192228026	/nfs/dbraw/zinc/22/80/26/192228026.db2.gz	MTIVMNZSJSZASZ-SNVBAGLBSA-N	0	0	315.395	2.207	10	5		DEBERN
Cc1ccnc(NC(=O)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	ZINC000005799067	181285059	/nfs/dbraw/zinc/28/50/59/181285059.db2.gz	ZPFFTPHCBOADHL-UHFFFAOYSA-N	0	0	316.273	2.388	10	5		DEBERN
O=[N+]([O-])c1ccc2ncnc(-n3cc(Br)cn3)c2c1	ZINC000081590764	192298274	/nfs/dbraw/zinc/29/82/74/192298274.db2.gz	KOYXVQNZWDNUJF-UHFFFAOYSA-N	0	0	320.106	2.486	10	5		DEBERN
COC(=O)c1ccc(OCCNc2ccc([N+](=O)[O-])nc2)cc1	ZINC000579879311	357045773	/nfs/dbraw/zinc/04/57/73/357045773.db2.gz	ZYVIHYHXWNMGPW-UHFFFAOYSA-N	0	0	317.301	2.267	10	5		DEBERN
CCO[C@H]1CCCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C1	ZINC000587484284	357381620	/nfs/dbraw/zinc/38/16/20/357381620.db2.gz	ZRCFGVUEARTBHX-NSHDSACASA-N	0	0	323.349	2.090	10	5		DEBERN
Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)cc1[N+](=O)[O-]	ZINC000181181049	199260982	/nfs/dbraw/zinc/26/09/82/199260982.db2.gz	OWLLXRWHHBDDHR-GFCCVEGCSA-N	0	0	315.333	2.389	10	5		DEBERN
O=[N+]([O-])c1cnn(CCSc2ccc(C(F)(F)F)nn2)c1	ZINC000186807102	200014384	/nfs/dbraw/zinc/01/43/84/200014384.db2.gz	WWKQEDFLCFSXEW-UHFFFAOYSA-N	0	0	319.268	2.392	10	5		DEBERN
Cc1ccc([C@H](C)NC(=O)N(C)CC2(CO)CC2)cc1[N+](=O)[O-]	ZINC000187282552	200088634	/nfs/dbraw/zinc/08/86/34/200088634.db2.gz	MABQURULGPPSGG-LBPRGKRZSA-N	0	0	321.377	2.378	10	5		DEBERN
CN(CC1(CO)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000187438700	200112441	/nfs/dbraw/zinc/11/24/41/200112441.db2.gz	OVODUXNNPWJXOR-UHFFFAOYSA-N	0	0	313.741	2.484	10	5		DEBERN
C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)C[C@@H]1CCCO1	ZINC000187809176	200159950	/nfs/dbraw/zinc/15/99/50/200159950.db2.gz	JBMOVWZJZYYVTA-RYUDHWBXSA-N	0	0	307.350	2.033	10	5		DEBERN
COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@@H](OC)C2)c1	ZINC000187774054	200155323	/nfs/dbraw/zinc/15/53/23/200155323.db2.gz	XKWQUPWXHKZTJF-HZMBPMFUSA-N	0	0	308.334	2.100	10	5		DEBERN
C[C@H]1OCCC[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1	ZINC000408333002	291198257	/nfs/dbraw/zinc/19/82/57/291198257.db2.gz	YPJCMNAILULCLR-IAQYHMDHSA-N	0	0	304.346	2.295	10	5		DEBERN
CN(CC1(CO)CC1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1	ZINC000189121671	200352058	/nfs/dbraw/zinc/35/20/58/200352058.db2.gz	CJTRPGJASSCVBA-UHFFFAOYSA-N	0	0	319.361	2.014	10	5		DEBERN
CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000189337770	200383767	/nfs/dbraw/zinc/38/37/67/200383767.db2.gz	DJNRHUCJGBOTPC-UONOGXRCSA-N	0	0	318.333	2.248	10	5		DEBERN
CN(CC(=O)N(C)C1CCCCC1)c1ccc([N+](=O)[O-])nc1	ZINC000609802288	361339474	/nfs/dbraw/zinc/33/94/74/361339474.db2.gz	NICDRAMRYVCAGB-UHFFFAOYSA-N	0	0	306.366	2.217	10	5		DEBERN
O=[N+]([O-])c1cnc(N[C@@H]2CCC[C@@H](O)C2)c(Br)c1	ZINC000610512803	361413572	/nfs/dbraw/zinc/41/35/72/361413572.db2.gz	VUOATDSSNJGDGH-VXNVDRBHSA-N	0	0	316.155	2.468	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CCN(c3ccccn3)CC2)n1	ZINC000611615519	361645094	/nfs/dbraw/zinc/64/50/94/361645094.db2.gz	OSQQBQUGFDEBSR-UHFFFAOYSA-N	0	0	313.361	2.328	10	5		DEBERN
CC[C@H]1CN(c2cc(OC)ccc2[N+](=O)[O-])C[C@]2(CCOC2)O1	ZINC000619504161	363814054	/nfs/dbraw/zinc/81/40/54/363814054.db2.gz	HMESBLWFXLUGKK-LRDDRELGSA-N	0	0	322.361	2.378	10	5		DEBERN
C[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC(=O)N1C	ZINC000619704910	363860795	/nfs/dbraw/zinc/86/07/95/363860795.db2.gz	ATXMWLUVKPSJOP-NSHDSACASA-N	0	0	321.377	2.439	10	5		DEBERN
CC1(C)CN(C/C=C/c2ccccc2[N+](=O)[O-])CCS1(=O)=O	ZINC000093735316	193298485	/nfs/dbraw/zinc/29/84/85/193298485.db2.gz	BSFKUFKWQKECMO-FNORWQNLSA-N	0	0	324.402	2.117	10	5		DEBERN
C[C@H](O)CCC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1	ZINC000094189009	193347708	/nfs/dbraw/zinc/34/77/08/193347708.db2.gz	KEPARFRYDRYMKZ-ZETCQYMHSA-N	0	0	317.139	2.457	10	5		DEBERN
C[C@@H](NC(=O)[C@](C)(N)C(F)(F)F)c1cccc([N+](=O)[O-])c1	ZINC000094234079	193352808	/nfs/dbraw/zinc/35/28/08/193352808.db2.gz	TYTRXXOXQSNGCT-HQJQHLMTSA-N	0	0	305.256	2.052	10	5		DEBERN
C[C@@](N)(C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F	ZINC000094232741	193353011	/nfs/dbraw/zinc/35/30/11/193353011.db2.gz	RRVXWQUYZIZYCC-SECBINFHSA-N	0	0	311.647	2.466	10	5		DEBERN
COC[C@H](O)CN(C)c1cc(Cl)c(Cl)cc1[N+](=O)[O-]	ZINC000095027597	193413611	/nfs/dbraw/zinc/41/36/11/193413611.db2.gz	MZZRFIHBFQOYPQ-SSDOTTSWSA-N	0	0	309.149	2.345	10	5		DEBERN
Nc1ccc(S(=O)(=O)Cc2ccc([N+](=O)[O-])c(F)c2)cc1	ZINC000094775637	193396718	/nfs/dbraw/zinc/39/67/18/193396718.db2.gz	WQQQXTKUKBWZFN-UHFFFAOYSA-N	0	0	310.306	2.290	10	5		DEBERN
CC[C@@H](C)CN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1C	ZINC000094780514	193397800	/nfs/dbraw/zinc/39/78/00/193397800.db2.gz	GUSWFKFDUPQBPK-SECBINFHSA-N	0	0	315.395	2.152	10	5		DEBERN
Cc1cc(N)c([N+](=O)[O-])cc1S(=O)(=O)N1CCCCCC1	ZINC000094780455	193397950	/nfs/dbraw/zinc/39/79/50/193397950.db2.gz	BSKYQRGZPSUIQC-UHFFFAOYSA-N	0	0	313.379	2.050	10	5		DEBERN
CCNc1cc(C)c(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-]	ZINC000094780392	193397968	/nfs/dbraw/zinc/39/79/68/193397968.db2.gz	YMEILNTZRJCUMC-UHFFFAOYSA-N	0	0	313.379	2.120	10	5		DEBERN
CCCN(C(C)C)S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1C	ZINC000094780509	193397989	/nfs/dbraw/zinc/39/79/89/193397989.db2.gz	WAJJMHLFZFSNNV-UHFFFAOYSA-N	0	0	315.395	2.295	10	5		DEBERN
O=C(C=Cc1cccc([N+](=O)[O-])c1)NC(=S)N1CCCCC1	ZINC000010402396	181668396	/nfs/dbraw/zinc/66/83/96/181668396.db2.gz	XAMDAGSPWQBNQB-BQYQJAHWSA-N	0	0	319.386	2.495	10	5		DEBERN
CC(=O)N1CCCC[C@@H]1C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-]	ZINC000271667139	209109915	/nfs/dbraw/zinc/10/99/15/209109915.db2.gz	BWOSOGJJCYGXPI-XHDPSFHLSA-N	0	0	319.361	2.173	10	5		DEBERN
CNS(=O)(=O)c1ccc(NCC2(C)CCC2)c([N+](=O)[O-])c1	ZINC000267665743	206206143	/nfs/dbraw/zinc/20/61/43/206206143.db2.gz	NPBDHMVKKSQEOY-UHFFFAOYSA-N	0	0	313.379	2.105	10	5		DEBERN
CCC[C@H]1C[C@H]1Nc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-]	ZINC000267754446	206262005	/nfs/dbraw/zinc/26/20/05/206262005.db2.gz	YBEFYVXJHCADQJ-JOYOIKCWSA-N	0	0	313.379	2.103	10	5		DEBERN
CN(Cc1ccccc1)c1ncnc(-n2ccnc2)c1[N+](=O)[O-]	ZINC000040573131	183104761	/nfs/dbraw/zinc/10/47/61/183104761.db2.gz	BMDSJLQWCFYKLH-UHFFFAOYSA-N	0	0	310.317	2.207	10	5		DEBERN
COC[C@H](O)CN(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000042287564	183249999	/nfs/dbraw/zinc/24/99/99/183249999.db2.gz	ZGWXWLUUWHJJAE-SECBINFHSA-N	0	0	308.256	2.057	10	5		DEBERN
CC[C@@H](C)N(C)S(=O)(=O)c1ccc(NC)c([N+](=O)[O-])c1	ZINC000050651300	183794004	/nfs/dbraw/zinc/79/40/04/183794004.db2.gz	NPBXIWBMIQOATN-SECBINFHSA-N	0	0	301.368	2.056	10	5		DEBERN
Cc1nc2cc(N[C@@H]3CCC(=O)NC3)c([N+](=O)[O-])cc2s1	ZINC000111021798	194384200	/nfs/dbraw/zinc/38/42/00/194384200.db2.gz	HPHWEQMPLKTSMG-MRVPVSSYSA-N	0	0	306.347	2.203	10	5		DEBERN
O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1COc2ccccc21	ZINC000058725885	184127093	/nfs/dbraw/zinc/12/70/93/184127093.db2.gz	TVQWFMWZLDUZNG-GFCCVEGCSA-N	0	0	314.297	2.224	10	5		DEBERN
CC(C)CCCNS(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F	ZINC000062098029	184206084	/nfs/dbraw/zinc/20/60/84/184206084.db2.gz	YTJMCGAXDJDLCS-UHFFFAOYSA-N	0	0	319.358	2.031	10	5		DEBERN
CCOC(=O)[C@@H](CCOc1cc([N+](=O)[O-])ccc1Cl)NC	ZINC000069508332	184521002	/nfs/dbraw/zinc/52/10/02/184521002.db2.gz	UCJGDKINZOUECF-LLVKDONJSA-N	0	0	316.741	2.168	10	5		DEBERN
C[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H](C)O1	ZINC000119785534	195036664	/nfs/dbraw/zinc/03/66/64/195036664.db2.gz	ITDGIIUZHQKAQW-NXEZZACHSA-N	0	0	303.318	2.326	10	5		DEBERN
CCC(C)(C)N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1	ZINC000157587113	197200034	/nfs/dbraw/zinc/20/00/34/197200034.db2.gz	UCSLVYQKEDGNQS-UHFFFAOYSA-N	0	0	307.397	2.048	10	5		DEBERN
COc1cnccc1[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000189659427	533136016	/nfs/dbraw/zinc/13/60/16/533136016.db2.gz	GSURWGNFKZUFPT-LLVKDONJSA-N	0	0	315.329	2.418	10	5		DEBERN
Nc1cccc(C(=O)N(CC(F)(F)F)C2CC2)c1[N+](=O)[O-]	ZINC000156951451	197151528	/nfs/dbraw/zinc/15/15/28/197151528.db2.gz	XTKCLDGQNAUQDT-UHFFFAOYSA-N	0	0	303.240	2.344	10	5		DEBERN
COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)[C@H]1CCCO1	ZINC000156112940	197088084	/nfs/dbraw/zinc/08/80/84/197088084.db2.gz	NTVSMUUJXRENQU-BXKDBHETSA-N	0	0	309.322	2.292	10	5		DEBERN
COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCCC[C@H]1O	ZINC000156127676	197089051	/nfs/dbraw/zinc/08/90/51/197089051.db2.gz	UEXNKVYYMWPXAS-ZWNOBZJWSA-N	0	0	323.349	2.276	10	5		DEBERN
CC[C@@H](CSC)N(C)C(=O)c1cccc(NN)c1[N+](=O)[O-]	ZINC000124730845	195673327	/nfs/dbraw/zinc/67/33/27/195673327.db2.gz	LACDDIOMWMJGAT-VIFPVBQESA-N	0	0	312.395	2.094	10	5		DEBERN
O=[N+]([O-])c1cc(Br)cnc1NCCc1cn[nH]c1	ZINC000357620743	133089081	/nfs/dbraw/zinc/08/90/81/133089081.db2.gz	IHGUESQJPZHVHY-UHFFFAOYSA-N	0	0	312.127	2.130	10	5		DEBERN
Nc1ccc(NC[C@@H]2CCC3(CCOCC3)[C@H]2O)c([N+](=O)[O-])c1	ZINC000376390658	133292945	/nfs/dbraw/zinc/29/29/45/133292945.db2.gz	FLCUMADJNPQYIJ-NHYWBVRUSA-N	0	0	321.377	2.157	10	5		DEBERN
CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccnn1C	ZINC000184678136	144947627	/nfs/dbraw/zinc/94/76/27/144947627.db2.gz	LDRJWVAUVVQXOA-ZDUSSCGKSA-N	0	0	316.361	2.213	10	5		DEBERN
CSc1cccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-]	ZINC000188086368	145006838	/nfs/dbraw/zinc/00/68/38/145006838.db2.gz	WCZHEMVJHQUITN-NSHDSACASA-N	0	0	321.402	2.237	10	5		DEBERN
O=C(Nc1cn(Cc2ccccc2)nn1)c1ccc([N+](=O)[O-])cc1	ZINC000188249981	145009549	/nfs/dbraw/zinc/00/95/49/145009549.db2.gz	GVCMDLYQVKWOJC-UHFFFAOYSA-N	0	0	323.312	2.487	10	5		DEBERN
CC(C)c1nc2n(n1)C[C@@H](Nc1cc(N)ccc1[N+](=O)[O-])CC2	ZINC000193413847	145085857	/nfs/dbraw/zinc/08/58/57/145085857.db2.gz	WLVPWVXKXJWSFU-NSHDSACASA-N	0	0	316.365	2.319	10	5		DEBERN
CCOc1ccc(C(=O)N[C@H](C)[C@@H]2CCOC2)cc1[N+](=O)[O-]	ZINC000358688957	147181843	/nfs/dbraw/zinc/18/18/43/147181843.db2.gz	WSWMFKMRBLNXNI-ZYHUDNBSSA-N	0	0	308.334	2.148	10	5		DEBERN
COC(=O)c1cc(OCc2ncc(C)cn2)ccc1[N+](=O)[O-]	ZINC000361072988	147438801	/nfs/dbraw/zinc/43/88/01/147438801.db2.gz	LAVSUYICGCSNQG-UHFFFAOYSA-N	0	0	303.274	2.059	10	5		DEBERN
C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCO[C@H](C2CC2)C1	ZINC000368786309	147838651	/nfs/dbraw/zinc/83/86/51/147838651.db2.gz	XRFNWRBQJFYNFM-NHYWBVRUSA-N	0	0	319.361	2.033	10	5		DEBERN
Cc1cnn(CCCCCn2cc([N+](=O)[O-])cc(C)c2=O)c1	ZINC000127176038	401723230	/nfs/dbraw/zinc/72/32/30/401723230.db2.gz	RINMXHXQMAAYBN-UHFFFAOYSA-N	0	0	304.350	2.440	10	5		DEBERN
COCc1csc(NC(=O)c2cc(OC)ccc2[N+](=O)[O-])n1	ZINC000115246140	401822012	/nfs/dbraw/zinc/82/20/12/401822012.db2.gz	OSJNTSYAFIWSMD-UHFFFAOYSA-N	0	0	323.330	2.459	10	5		DEBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H]1c1ccco1	ZINC000116040309	401840676	/nfs/dbraw/zinc/84/06/76/401840676.db2.gz	YOCGECUZJUFCRF-NSHDSACASA-N	0	0	304.306	2.056	10	5		DEBERN
CNC(=O)Cc1nc(COc2cc(C)ccc2[N+](=O)[O-])cs1	ZINC000081275633	401894954	/nfs/dbraw/zinc/89/49/54/401894954.db2.gz	BBNSJTXRPKSIAA-UHFFFAOYSA-N	0	0	321.358	2.227	10	5		DEBERN
C[C@H](CO)CSc1ncc(Br)cc1[N+](=O)[O-]	ZINC000085138037	401913069	/nfs/dbraw/zinc/91/30/69/401913069.db2.gz	XTHUVEFNLCYDDO-ZCFIWIBFSA-N	0	0	307.169	2.473	10	5		DEBERN
Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)[C@H]2CCCO2)cc1[N+](=O)[O-]	ZINC000046218171	401967878	/nfs/dbraw/zinc/96/78/78/401967878.db2.gz	AKQHJURTMDWWQT-NOZJJQNGSA-N	0	0	323.305	2.109	10	5		DEBERN
Cc1sc(C(=O)NCCCC(=O)OC(C)C)cc1[N+](=O)[O-]	ZINC000120570366	401994084	/nfs/dbraw/zinc/99/40/84/401994084.db2.gz	RCMIUSIPMUDTKY-UHFFFAOYSA-N	0	0	314.363	2.426	10	5		DEBERN
Cc1ccc(CNc2ncc([N+](=O)[O-])cc2C(N)=O)cc1F	ZINC000097220585	402118718	/nfs/dbraw/zinc/11/87/18/402118718.db2.gz	PHCNQWCIQUOYNG-UHFFFAOYSA-N	0	0	304.281	2.148	10	5		DEBERN
C[C@@H](CO)[C@@H](C)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000097597560	402127972	/nfs/dbraw/zinc/12/79/72/402127972.db2.gz	SSBMJWRNNDAFOF-JGVFFNPUSA-N	0	0	301.730	2.387	10	5		DEBERN
C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC000066327104	402130994	/nfs/dbraw/zinc/13/09/94/402130994.db2.gz	QOZLNYNNMZKOEH-DTORHVGOSA-N	0	0	304.393	2.323	10	5		DEBERN
Cc1nn(C)c(C)c1CCNC(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000067039974	402150622	/nfs/dbraw/zinc/15/06/22/402150622.db2.gz	CRBLBYZZEFBRAQ-UHFFFAOYSA-N	0	0	316.361	2.226	10	5		DEBERN
Cc1cc(C)n([C@H](C)C(=O)NCc2cccc([N+](=O)[O-])c2)n1	ZINC000067072689	402151575	/nfs/dbraw/zinc/15/15/75/402151575.db2.gz	JSRUJPLEFOGWPV-GFCCVEGCSA-N	0	0	302.334	2.286	10	5		DEBERN
CC(C)[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21	ZINC000185389361	402349420	/nfs/dbraw/zinc/34/94/20/402349420.db2.gz	FLCITEHCCLRGAV-SNVBAGLBSA-N	0	0	323.374	2.466	10	5		DEBERN
Cc1ccnc(N2CC[C@@H](C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-]	ZINC000176957396	402354313	/nfs/dbraw/zinc/35/43/13/402354313.db2.gz	LXMZZRSHADCSNA-LLVKDONJSA-N	0	0	307.350	2.466	10	5		DEBERN
Cc1nccn1C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1	ZINC000177137583	402373462	/nfs/dbraw/zinc/37/34/62/402373462.db2.gz	SRXIDTFODXXYOB-LLVKDONJSA-N	0	0	320.374	2.466	10	5		DEBERN
CC[C@@H](NC(=O)N1CCC[C@H]1CO)c1cccc([N+](=O)[O-])c1	ZINC000176696500	402329309	/nfs/dbraw/zinc/32/93/09/402329309.db2.gz	HCDJGYDKCBQZFE-UONOGXRCSA-N	0	0	307.350	2.212	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](c2ccco2)C1	ZINC000176805351	402338770	/nfs/dbraw/zinc/33/87/70/402338770.db2.gz	LHYGQVARVNRLSF-AWEZNQCLSA-N	0	0	317.301	2.105	10	5		DEBERN
Cc1cc(C[C@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)[nH]n1	ZINC000161924354	402404115	/nfs/dbraw/zinc/40/41/15/402404115.db2.gz	QDJWCLPFTAHGOR-ZETCQYMHSA-N	0	0	308.363	2.357	10	5		DEBERN
CC[C@H](NC(=O)[C@@H]1CC(=O)N(CC)C1)c1cccc([N+](=O)[O-])c1	ZINC000177786496	402436408	/nfs/dbraw/zinc/43/64/08/402436408.db2.gz	NMIVKQRFFGIPGI-OCCSQVGLSA-N	0	0	319.361	2.031	10	5		DEBERN
C[C@H]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@H](C)C1	ZINC000163518278	402451525	/nfs/dbraw/zinc/45/15/25/402451525.db2.gz	RPAIOWAOLUGELZ-NWDGAFQWSA-N	0	0	308.382	2.421	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CC1(O)CCCCCC1	ZINC000186945973	402473446	/nfs/dbraw/zinc/47/34/46/402473446.db2.gz	NIYWHWZSERZTHS-UHFFFAOYSA-N	0	0	321.377	2.456	10	5		DEBERN
O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000178336472	402486254	/nfs/dbraw/zinc/48/62/54/402486254.db2.gz	BQUXYYHRUBDCJJ-FZMZJTMJSA-N	0	0	310.375	2.424	10	5		DEBERN
O=C(N[C@H]1CCCOC1)c1cc([N+](=O)[O-])ccc1N1CCCC1	ZINC000170936431	402543024	/nfs/dbraw/zinc/54/30/24/402543024.db2.gz	UWIBJJJBLPCFSX-LBPRGKRZSA-N	0	0	319.361	2.104	10	5		DEBERN
Cc1cc(C(=O)N[C@H]2Cc3ccccc3[C@@H]2O)cc([N+](=O)[O-])c1	ZINC000178678074	402525188	/nfs/dbraw/zinc/52/51/88/402525188.db2.gz	OHMADAGOKAVBMW-HOTGVXAUSA-N	0	0	312.325	2.291	10	5		DEBERN
CC[C@@H](NC(=O)CC1OCCCO1)c1cccc([N+](=O)[O-])c1	ZINC000189480348	402539958	/nfs/dbraw/zinc/53/99/58/402539958.db2.gz	HCWIGEBWQARXMG-CYBMUJFWSA-N	0	0	308.334	2.315	10	5		DEBERN
O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](C(F)(F)F)C1	ZINC000179193295	402579302	/nfs/dbraw/zinc/57/93/02/402579302.db2.gz	AUPWJAWUWUVYBI-SNVBAGLBSA-N	0	0	319.283	2.031	10	5		DEBERN
C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCS1	ZINC000171608449	402600874	/nfs/dbraw/zinc/60/08/74/402600874.db2.gz	SECKKKDZGLLKOV-VIFPVBQESA-N	0	0	307.375	2.421	10	5		DEBERN
Cc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC000248835125	402610480	/nfs/dbraw/zinc/61/04/80/402610480.db2.gz	NUJBYWGPOZJAES-STQMWFEESA-N	0	0	305.378	2.458	10	5		DEBERN
CCc1n[nH]c(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)c1[N+](=O)[O-]	ZINC000171878391	402631501	/nfs/dbraw/zinc/63/15/01/402631501.db2.gz	YRDLYRRXNSHNBH-RYUDHWBXSA-N	0	0	314.345	2.414	10	5		DEBERN
Cc1c(NC(=O)NCC2(C)OCCCO2)cccc1[N+](=O)[O-]	ZINC000192168895	402715719	/nfs/dbraw/zinc/71/57/19/402715719.db2.gz	MYDBZAGSACNMPD-UHFFFAOYSA-N	0	0	309.322	2.178	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc([S@](C)=O)cc1	ZINC000173877767	402717165	/nfs/dbraw/zinc/71/71/65/402717165.db2.gz	FIAAIPHTCIPUFA-QFIPXVFZSA-N	0	0	319.342	2.288	10	5		DEBERN
Cc1c(C(=O)N[C@@H](C)C(C)C)nnn1-c1cccc([N+](=O)[O-])c1	ZINC000253599194	402669684	/nfs/dbraw/zinc/66/96/84/402669684.db2.gz	DCKDXEILOQEZET-JTQLQIEISA-N	0	0	317.349	2.258	10	5		DEBERN
CC(=O)NC1CN(C(=O)c2cc3ccccc3c3cccnc23)C1	ZINC000191484012	402672904	/nfs/dbraw/zinc/67/29/04/402672904.db2.gz	JZTCCNUTHFRSTE-UHFFFAOYSA-N	0	0	319.364	2.349	10	5		DEBERN
C[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCCO1	ZINC000183208770	402746797	/nfs/dbraw/zinc/74/67/97/402746797.db2.gz	DOCLPTRYRCHOCG-GXFFZTMASA-N	0	0	318.333	2.302	10	5		DEBERN
Cc1sc(C(=O)NCc2nnc(C)n2C2CC2)cc1[N+](=O)[O-]	ZINC000183443505	402767982	/nfs/dbraw/zinc/76/79/82/402767982.db2.gz	OCRWLTIWNWBPBL-UHFFFAOYSA-N	0	0	321.362	2.130	10	5		DEBERN
CC(C)CC[C@](C)(O)CNC(=O)Nc1ccncc1[N+](=O)[O-]	ZINC000183568413	402776779	/nfs/dbraw/zinc/77/67/79/402776779.db2.gz	UXBXELCLRCHPME-AWEZNQCLSA-N	0	0	310.354	2.299	10	5		DEBERN
O=C(N[C@@H]1COc2ccccc21)c1[nH]nc2ccc([N+](=O)[O-])cc21	ZINC000195009277	402826142	/nfs/dbraw/zinc/82/61/42/402826142.db2.gz	UYGILPYRBSLCJV-CYBMUJFWSA-N	0	0	324.296	2.335	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN2CCCC[C@H]2C1	ZINC000195050853	402828777	/nfs/dbraw/zinc/82/87/77/402828777.db2.gz	HRYCVXBGHTTXBY-AWEZNQCLSA-N	0	0	303.362	2.214	10	5		DEBERN
Cc1nn(C)c(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c1[N+](=O)[O-]	ZINC000194087494	402783334	/nfs/dbraw/zinc/78/33/34/402783334.db2.gz	SSOLHUAOYJHWCD-MRVPVSSYSA-N	0	0	320.271	2.051	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC(C)(C)OC1=O	ZINC000273314933	402993135	/nfs/dbraw/zinc/99/31/35/402993135.db2.gz	JDIWDZKWDIIWNB-AORWBKJGSA-N	0	0	318.329	2.208	10	5		DEBERN
COC(=O)c1cc(N2CCC([C@@H](C)O)CC2)cc(C)c1[N+](=O)[O-]	ZINC000268501630	403089235	/nfs/dbraw/zinc/08/92/35/403089235.db2.gz	SLGKDBSAXKXIOS-LLVKDONJSA-N	0	0	322.361	2.287	10	5		DEBERN
COc1ccccc1CCN(C)c1c([N+](=O)[O-])c(C)nn1C	ZINC000301217026	403601837	/nfs/dbraw/zinc/60/18/37/403601837.db2.gz	ZHYROCGQOJNIHM-UHFFFAOYSA-N	0	0	304.350	2.324	10	5		DEBERN
CC(=O)NCCCN(C)c1ccc2cc([N+](=O)[O-])ccc2n1	ZINC000301272618	403609276	/nfs/dbraw/zinc/60/92/76/403609276.db2.gz	HPUQLRRKAFETPB-UHFFFAOYSA-N	0	0	302.334	2.105	10	5		DEBERN
CNC(=O)[C@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000301296509	403612089	/nfs/dbraw/zinc/61/20/89/403612089.db2.gz	VWOSWSKANUOTNR-SNVBAGLBSA-N	0	0	317.267	2.328	10	5		DEBERN
CCOCc1ccc(Nc2ncc([N+](=O)[O-])cc2C(N)=O)cc1	ZINC000301421175	403627690	/nfs/dbraw/zinc/62/76/90/403627690.db2.gz	FAMOGHIGQPKJPQ-UHFFFAOYSA-N	0	0	316.317	2.369	10	5		DEBERN
CCCn1cc(Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])cn1	ZINC000301902654	403698523	/nfs/dbraw/zinc/69/85/23/403698523.db2.gz	WQOTVAWNHLRLBX-UHFFFAOYSA-N	0	0	324.362	2.348	10	5		DEBERN
CC[C@H]1CN(c2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H](C)O1	ZINC000302094810	403707903	/nfs/dbraw/zinc/70/79/03/403707903.db2.gz	NOOLFXHJUYWZCV-JQWIXIFHSA-N	0	0	308.334	2.385	10	5		DEBERN
CN(C)c1noc(-c2ccc([N+](=O)[O-])cc2Br)n1	ZINC000358583922	404768062	/nfs/dbraw/zinc/76/80/62/404768062.db2.gz	UFRNZPKAGRYSRE-UHFFFAOYSA-N	0	0	313.111	2.473	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC(=O)N3CCCC[C@H]23)n1	ZINC000407975278	405081409	/nfs/dbraw/zinc/08/14/09/405081409.db2.gz	HYKAAXXJZGEMSI-NWDGAFQWSA-N	0	0	304.350	2.172	10	5		DEBERN
C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000407990900	405084440	/nfs/dbraw/zinc/08/44/40/405084440.db2.gz	QXYXMMJPSMDHFX-OCCSQVGLSA-N	0	0	305.378	2.359	10	5		DEBERN
C[C@H]1C[C@@H]1CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1	ZINC000448700377	405438292	/nfs/dbraw/zinc/43/82/92/405438292.db2.gz	OYXGHSFGHXNTMG-GXSJLCMTSA-N	0	0	300.318	2.371	10	5		DEBERN
CCOc1ccc(C(=O)NC[C@@H]2CC[C@@H](C)O2)cc1[N+](=O)[O-]	ZINC000457463224	405852803	/nfs/dbraw/zinc/85/28/03/405852803.db2.gz	XQPDGBCONWTNMO-PWSUYJOCSA-N	0	0	308.334	2.291	10	5		DEBERN
O=C(Cc1cccc(O)c1)NCCOc1ccc([N+](=O)[O-])cc1	ZINC000518868226	406162358	/nfs/dbraw/zinc/16/23/58/406162358.db2.gz	XHJXRQCUVZKRDA-UHFFFAOYSA-N	0	0	316.313	2.038	10	5		DEBERN
NC(=O)c1cc(Br)c([N+](=O)[O-])cc1Br	ZINC000575694373	406818992	/nfs/dbraw/zinc/81/89/92/406818992.db2.gz	JLZWNGHVZUXDJI-UHFFFAOYSA-N	0	0	323.928	2.219	10	5		DEBERN
CNc1cc(C(=O)NCc2cncs2)c([N+](=O)[O-])cc1F	ZINC000128693893	195984173	/nfs/dbraw/zinc/98/41/73/195984173.db2.gz	HIHQKZOOIFXXQQ-UHFFFAOYSA-N	0	0	310.310	2.162	10	5		DEBERN
CCNc1cc(S(=O)(=O)NC2CCCC2)ccc1[N+](=O)[O-]	ZINC000131728651	196194704	/nfs/dbraw/zinc/19/47/04/196194704.db2.gz	YDBNHGXARUWSQN-UHFFFAOYSA-N	0	0	313.379	2.248	10	5		DEBERN
CNc1cc(S(=O)(=O)N(C)CCC(C)C)ccc1[N+](=O)[O-]	ZINC000132353442	196247932	/nfs/dbraw/zinc/24/79/32/196247932.db2.gz	QJQRWRIUWYMYMN-UHFFFAOYSA-N	0	0	315.395	2.303	10	5		DEBERN
C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl)[S@](C)=O	ZINC000134012505	196353488	/nfs/dbraw/zinc/35/34/88/196353488.db2.gz	MTOGMYZPSQWEQZ-FFVOIRBGSA-N	0	0	318.782	2.135	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1	ZINC000162577193	224730602	/nfs/dbraw/zinc/73/06/02/224730602.db2.gz	GFECAOHPZAPAOW-MNOVXSKESA-N	0	0	320.349	2.069	10	5		DEBERN
Cc1csc(CCNc2ccc3ncc([N+](=O)[O-])n3n2)n1	ZINC000611239413	422475584	/nfs/dbraw/zinc/47/55/84/422475584.db2.gz	BDALBVXPKHBWMX-UHFFFAOYSA-N	0	0	304.335	2.057	10	5		DEBERN
O=[N+]([O-])c1cnc2ccc(NCCCc3ccccc3F)nn21	ZINC000360064016	424835838	/nfs/dbraw/zinc/83/58/38/424835838.db2.gz	QNDFANCYUJBLSG-UHFFFAOYSA-N	0	0	315.308	2.821	10	5		DEBERN
O=[N+]([O-])c1nn(C[C@H]2CCCC[C@@H]2O)cc1Br	ZINC000393258005	269099267	/nfs/dbraw/zinc/09/92/67/269099267.db2.gz	HJYLTVZZIUYWIF-APPZFPTMSA-N	0	0	304.144	2.105	10	5		DEBERN
CC(C)[C@@H]1C[C@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000451917031	269141736	/nfs/dbraw/zinc/14/17/36/269141736.db2.gz	MAAXNAOSXOITDZ-JSGCOSHPSA-N	0	0	312.391	2.306	10	5		DEBERN
CCCC(=O)N[C@H]1CCCN(c2cc(N)ccc2[N+](=O)[O-])C1	ZINC000193404928	276223962	/nfs/dbraw/zinc/22/39/62/276223962.db2.gz	TUPTWRKOXANPDA-LBPRGKRZSA-N	0	0	306.366	2.062	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(N2CCC(Cc3nccn3C)CC2)n1	ZINC000178215109	281009762	/nfs/dbraw/zinc/00/97/62/281009762.db2.gz	WOJXURAEELMOFN-UHFFFAOYSA-N	0	0	315.377	2.491	10	5		DEBERN
CC[C@H]1CN(c2ncc(C)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1	ZINC000408337083	288302499	/nfs/dbraw/zinc/30/24/99/288302499.db2.gz	SHDHANIPZUQICY-SWLSCSKDSA-N	0	0	307.350	2.073	10	5		DEBERN
C[C@@H]1COC[C@@H](C)N1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12	ZINC000265880998	288373014	/nfs/dbraw/zinc/37/30/14/288373014.db2.gz	MRDSHMKFIDBXCI-NXEZZACHSA-N	0	0	303.318	2.326	10	5		DEBERN
COc1cccc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)n1	ZINC000130646543	281945082	/nfs/dbraw/zinc/94/50/82/281945082.db2.gz	WTTMBLNCRBSGLN-UHFFFAOYSA-N	0	0	315.329	2.247	10	5		DEBERN
C[C@H](C[NH+]1CCCCCC1)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000185421871	298586893	/nfs/dbraw/zinc/58/68/93/298586893.db2.gz	IZYCWSQNJKJKAB-GFCCVEGCSA-N	0	0	321.377	2.295	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)c1	ZINC000408172148	301852428	/nfs/dbraw/zinc/85/24/28/301852428.db2.gz	SIOPDSQCUWNKAJ-WOSRLPQWSA-N	0	0	306.362	2.269	10	5		DEBERN
Cc1ccnc(N2CCC[C@H](C(=O)N3CCCC3)C2)c1[N+](=O)[O-]	ZINC000408174703	302271463	/nfs/dbraw/zinc/27/14/63/302271463.db2.gz	LTXYBZAENCKRBP-ZDUSSCGKSA-N	0	0	318.377	2.137	10	5		DEBERN
CO[C@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[C@H]1C	ZINC000187450247	332968949	/nfs/dbraw/zinc/96/89/49/332968949.db2.gz	VRDUOFRJIZDHRT-RISCZKNCSA-N	0	0	307.350	2.161	10	5		DEBERN
O=c1c2cc3ccccc3cc2ncn1C[C@@H](O)C(F)(F)F	ZINC000158078100	527462663	/nfs/dbraw/zinc/46/26/63/527462663.db2.gz	JJLYOSVZRDHWPA-CYBMUJFWSA-N	0	0	308.259	2.473	10	5		DEBERN
CCCCn1nccc1NC(=O)c1nn(CC)cc1[N+](=O)[O-]	ZINC000191530977	527717160	/nfs/dbraw/zinc/71/71/60/527717160.db2.gz	ZQJPDEZGLOCXGX-UHFFFAOYSA-N	0	0	306.326	2.060	10	5		DEBERN
CCOCC[C@H](O)COc1ccc([N+](=O)[O-])c2ncccc12	ZINC000434637870	528870908	/nfs/dbraw/zinc/87/09/08/528870908.db2.gz	QJVWKVGQNYVVDJ-NSHDSACASA-N	0	0	306.318	2.309	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc(C3CC3)cs2)n1	ZINC000191523340	529155042	/nfs/dbraw/zinc/15/50/42/529155042.db2.gz	GWLSTUCRJFXTNJ-UHFFFAOYSA-N	0	0	307.335	2.397	10	5		DEBERN
CCC(=O)N[C@H]1CCCN(c2cc([N+](=O)[O-])ccc2C(C)=O)C1	ZINC000360954813	535326917	/nfs/dbraw/zinc/32/69/17/535326917.db2.gz	UOSMLVRWOKMEAY-LBPRGKRZSA-N	0	0	319.361	2.292	10	5		DEBERN
CCCn1nccc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-]	ZINC000079920662	535634250	/nfs/dbraw/zinc/63/42/50/535634250.db2.gz	CYULOEUIEXNQFB-UHFFFAOYSA-N	0	0	317.349	2.276	10	5		DEBERN
CC[C@](C)(O)CNc1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-]	ZINC000255590985	625371182	/nfs/dbraw/zinc/37/11/82/625371182.db2.gz	RIQKZXSIJUUTHE-LYASGUKUSA-N	0	0	308.334	2.354	10	5		DEBERN
O=C(CCc1cccc([N+](=O)[O-])c1)OCCc1cnccn1	ZINC000176740719	624944247	/nfs/dbraw/zinc/94/42/47/624944247.db2.gz	SNUGTSQCIMGDON-UHFFFAOYSA-N	0	0	301.302	2.103	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccccc1[N+](=O)[O-]	ZINC000046147673	633846441	/nfs/dbraw/zinc/84/64/41/633846441.db2.gz	KOARWBQQWAGYJV-UHFFFAOYSA-N	0	0	316.273	2.136	10	5		DEBERN
CC[S@@](=O)CCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000741422145	637981180	/nfs/dbraw/zinc/98/11/80/637981180.db2.gz	GOVQCNHDQBWSLG-HXUWFJFHSA-N	0	0	319.770	2.138	10	5		DEBERN
CC(=O)N1CC[C@](C)(C(=O)O[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1	ZINC000747113405	638408774	/nfs/dbraw/zinc/40/87/74/638408774.db2.gz	JFSOJTKWXCVYPG-ZBEGNZNMSA-N	0	0	320.345	2.458	10	5		DEBERN
C/C(=C\C(=O)NCCn1cccn1)c1ccc([N+](=O)[O-])cc1	ZINC000751476658	639086275	/nfs/dbraw/zinc/08/62/75/639086275.db2.gz	XVJLDLVVANJLAX-VAWYXSNFSA-N	0	0	300.318	2.011	10	5		DEBERN
C/C(=C/C(=O)NC[C@@H](O)c1ccco1)c1ccc([N+](=O)[O-])cc1	ZINC000752558231	639197981	/nfs/dbraw/zinc/19/79/81/639197981.db2.gz	FDUYDTAPRICIDV-RBJHHQRMSA-N	0	0	316.313	2.441	10	5		DEBERN
Cc1c(NC(=O)N2CCO[C@@H](C(F)F)C2)cccc1[N+](=O)[O-]	ZINC000801608197	645423448	/nfs/dbraw/zinc/42/34/48/645423448.db2.gz	PYLNDJVNWCJUOY-LLVKDONJSA-N	0	0	315.276	2.401	10	5		DEBERN
CCO[C@H]1C[C@@H](N(C)Cn2nccc2[N+](=O)[O-])C12CCCC2	ZINC000156505926	646429978	/nfs/dbraw/zinc/42/99/78/646429978.db2.gz	COOBRWJVOUQINJ-OLZOCXBDSA-N	0	0	308.382	2.418	10	5		DEBERN
CCO[C@@H]1C[C@@H](OC(=O)Cn2cc([N+](=O)[O-])cn2)C12CCCC2	ZINC000172672614	646747157	/nfs/dbraw/zinc/74/71/57/646747157.db2.gz	IITMFFNBECKGCH-CHWSQXEVSA-N	0	0	323.349	2.072	10	5		DEBERN
C[C@H](COc1ccccc1)OC(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000077941760	683958070	/nfs/dbraw/zinc/95/80/70/683958070.db2.gz	LVQBEIAKMWDXDV-GFCCVEGCSA-N	0	0	319.317	2.192	10	5		DEBERN
COC(=O)[C@@H]1C[C@@H]1C(=O)Oc1cc([N+](=O)[O-])c(Cl)cc1C	ZINC000118295741	684071037	/nfs/dbraw/zinc/07/10/37/684071037.db2.gz	GSTXGGQGHLOIIU-SFYZADRCSA-N	0	0	313.693	2.271	10	5		DEBERN
CNC(=O)Cc1nc(CNc2ccc(F)c([N+](=O)[O-])c2)cs1	ZINC000129280647	684178110	/nfs/dbraw/zinc/17/81/10/684178110.db2.gz	NAABIIVVZNFTMR-UHFFFAOYSA-N	0	0	324.337	2.091	10	5		DEBERN
CCO[C@H]1C[C@H](OC(=O)CCn2cc([N+](=O)[O-])cn2)C12CCC2	ZINC000130580072	684190341	/nfs/dbraw/zinc/19/03/41/684190341.db2.gz	BYGBSZZQRCEOQL-STQMWFEESA-N	0	0	323.349	2.072	10	5		DEBERN
CC(C)c1nc(C2(NCn3cc([N+](=O)[O-])cn3)CCCC2)no1	ZINC000132173417	684205941	/nfs/dbraw/zinc/20/59/41/684205941.db2.gz	KAZCWHNUVPKZTK-UHFFFAOYSA-N	0	0	320.353	2.314	10	5		DEBERN
Cc1c(CCC(=O)OCCc2ccccc2[N+](=O)[O-])cnn1C	ZINC000133691113	684222066	/nfs/dbraw/zinc/22/20/66/684222066.db2.gz	HFISJBYFKVWWDZ-UHFFFAOYSA-N	0	0	317.345	2.355	10	5		DEBERN
C[C@@H](OC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccc([N+](=O)[O-])cc1	ZINC000138335612	684246348	/nfs/dbraw/zinc/24/63/48/684246348.db2.gz	AZQKQYSMWJEBAM-SECBINFHSA-N	0	0	320.261	2.004	10	5		DEBERN
COc1cccc(C(=O)OCCn2c(C)ncc2[N+](=O)[O-])c1F	ZINC000156175993	684286085	/nfs/dbraw/zinc/28/60/85/684286085.db2.gz	ZWFWPCFAMSNJJJ-UHFFFAOYSA-N	0	0	323.280	2.104	10	5		DEBERN
CC(C)c1nnc(COc2ccc(C=O)cc2[N+](=O)[O-])n1C	ZINC000194667051	685073561	/nfs/dbraw/zinc/07/35/61/685073561.db2.gz	CZSMBMJKOQLCEN-UHFFFAOYSA-N	0	0	304.306	2.238	10	5		DEBERN
CC(C)N1CC[C@H](N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)C1=O	ZINC000246608170	685133282	/nfs/dbraw/zinc/13/32/82/685133282.db2.gz	WQXJBBCZWZOAHS-ABAIWWIYSA-N	0	0	303.362	2.355	10	5		DEBERN
Cc1cc(NC/C=C\CNC(=O)OC(C)(C)C)ncc1[N+](=O)[O-]	ZINC000588432550	777168592	/nfs/dbraw/zinc/16/85/92/777168592.db2.gz	CLQUVILSZUTCHM-WAYWQWQTSA-N	0	0	322.365	2.213	10	5		DEBERN
C[C@H](Cn1ccnc1)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000038103193	1078217349	/nfs/dbraw/zinc/21/73/49/1078217349.db2.gz	KDXJQNSPVFFEME-SECBINFHSA-N	0	0	308.725	2.263	10	5		DEBERN
C[C@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])CCO1	ZINC000720446731	1089934144	/nfs/dbraw/zinc/93/41/44/1089934144.db2.gz	GQYFOOWIZLLKEQ-QMMMGPOBSA-N	0	0	316.155	2.368	10	5		DEBERN
C[C@@H]1CC[C@H](C)CN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000076727753	185035786	/nfs/dbraw/zinc/03/57/86/185035786.db2.gz	HFQAARMLIDVUNE-WDEREUQCSA-N	0	0	305.334	2.180	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](C)CC[C@H]1C	ZINC000076731092	185036858	/nfs/dbraw/zinc/03/68/58/185036858.db2.gz	OKPHVPVSJFYNMU-CMPLNLGQSA-N	0	0	319.361	2.489	10	5		DEBERN
CC[C@H](C)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N	ZINC000088311807	185245218	/nfs/dbraw/zinc/24/52/18/185245218.db2.gz	MFQBBOGXFMMHEW-UWVGGRQHSA-N	0	0	315.395	2.280	10	5		DEBERN
CC[C@H](NS(=O)(=O)N(CC)CC)c1cccc([N+](=O)[O-])c1	ZINC000090222857	185287275	/nfs/dbraw/zinc/28/72/75/185287275.db2.gz	HNYCYMKZOXMNMX-ZDUSSCGKSA-N	0	0	315.395	2.222	10	5		DEBERN
CC[C@H](NC(=O)N(CCO)C1CC1)c1cccc([N+](=O)[O-])c1	ZINC000090688249	185309560	/nfs/dbraw/zinc/30/95/60/185309560.db2.gz	RHZFFCGEAUUSKD-AWEZNQCLSA-N	0	0	307.350	2.212	10	5		DEBERN
CCC[C@H]1CC(=O)N(C(=O)c2ccnc(Cl)c2[N+](=O)[O-])C1	ZINC000166892206	197700605	/nfs/dbraw/zinc/70/06/05/197700605.db2.gz	BGVVBAJHRNBWQS-QMMMGPOBSA-N	0	0	311.725	2.432	10	5		DEBERN
CC(C)[C@H](C)CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-]	ZINC000179571723	282229414	/nfs/dbraw/zinc/22/94/14/282229414.db2.gz	DQGBKFXVXUXCAP-GFCCVEGCSA-N	0	0	314.407	2.349	10	5		DEBERN
O=[N+]([O-])c1ccccc1-c1noc(CNCC(F)(F)F)n1	ZINC000092442702	185318721	/nfs/dbraw/zinc/31/87/21/185318721.db2.gz	MZYNXNMTNXXPJE-UHFFFAOYSA-N	0	0	302.212	2.297	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(CO)c(F)c1	ZINC000170855549	197837560	/nfs/dbraw/zinc/83/75/60/197837560.db2.gz	MWRYHEAXDPQVOX-UHFFFAOYSA-N	0	0	318.304	2.465	10	5		DEBERN
CC(C)CCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N	ZINC000147862534	186042146	/nfs/dbraw/zinc/04/21/46/186042146.db2.gz	FUAVMEHYRINICO-UHFFFAOYSA-N	0	0	315.395	2.282	10	5		DEBERN
CCCc1cc(=O)[nH]c(Sc2cc(N)cc([N+](=O)[O-])c2)n1	ZINC000149544751	186051024	/nfs/dbraw/zinc/05/10/24/186051024.db2.gz	FNRHSTCCQDDCTF-UHFFFAOYSA-N	0	0	306.347	2.364	10	5		DEBERN
CCO[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C12CCC2	ZINC000152553069	186084360	/nfs/dbraw/zinc/08/43/60/186084360.db2.gz	YMRSRJSFDWCEKE-KBPBESRZSA-N	0	0	319.361	2.376	10	5		DEBERN
COC(=O)c1cc(N2CCC(C)(O)CC2)cc(C)c1[N+](=O)[O-]	ZINC000177842387	186192359	/nfs/dbraw/zinc/19/23/59/186192359.db2.gz	XLIUZBAVBWBWOC-UHFFFAOYSA-N	0	0	308.334	2.041	10	5		DEBERN
CCc1n[nH]c(C(=O)N[C@@H]2CCOc3ccccc32)c1[N+](=O)[O-]	ZINC000171368404	197925108	/nfs/dbraw/zinc/92/51/08/197925108.db2.gz	TYGFZVHUCBWZOI-LLVKDONJSA-N	0	0	316.317	2.134	10	5		DEBERN
Cc1sc(C(=O)N2CCC[C@H](n3cncn3)C2)cc1[N+](=O)[O-]	ZINC000171662380	197962472	/nfs/dbraw/zinc/96/24/72/197962472.db2.gz	FYUDFUXNOPLRAC-JTQLQIEISA-N	0	0	321.362	2.034	10	5		DEBERN
O=c1[nH]c(NC[C@H]2CCCC[C@H]2O)nc2ccc([N+](=O)[O-])cc12	ZINC000287285297	219427462	/nfs/dbraw/zinc/42/74/62/219427462.db2.gz	LYWQHVKNWHTFFK-NOZJJQNGSA-N	0	0	318.333	2.207	10	5		DEBERN
COc1cc(F)c([N+](=O)[O-])c(N2CC[C@@](O)(C(F)(F)F)C2)c1	ZINC000080647560	355377157	/nfs/dbraw/zinc/37/71/57/355377157.db2.gz	YWCOWMGUMRVEBF-NSHDSACASA-N	0	0	324.230	2.246	10	5		DEBERN
NC(=O)[C@@H](CNc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1	ZINC000091481266	355597973	/nfs/dbraw/zinc/59/79/73/355597973.db2.gz	HOFDVYQCJCYASZ-GFCCVEGCSA-N	0	0	317.320	2.490	10	5		DEBERN
NC(=O)[C@H](CNc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1	ZINC000091481265	355598323	/nfs/dbraw/zinc/59/83/23/355598323.db2.gz	HOFDVYQCJCYASZ-LBPRGKRZSA-N	0	0	317.320	2.490	10	5		DEBERN
O=[N+]([O-])c1ccc(N2CCC[C@H](c3nncn3C3CC3)C2)nc1	ZINC000092826010	355652521	/nfs/dbraw/zinc/65/25/21/355652521.db2.gz	QOXCREVPNCXREL-NSHDSACASA-N	0	0	314.349	2.300	10	5		DEBERN
COCCOCC(C)(C)c1ccc(NC(C)=O)cc1[N+](=O)[O-]	ZINC000113732195	355759714	/nfs/dbraw/zinc/75/97/14/355759714.db2.gz	IYAKGFXKXACMQC-UHFFFAOYSA-N	0	0	310.350	2.494	10	5		DEBERN
Nc1ccc(CCc2ccc(N)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000143367037	355898352	/nfs/dbraw/zinc/89/83/52/355898352.db2.gz	RZWBDUKSVSEUHS-UHFFFAOYSA-N	0	0	302.290	2.453	10	5		DEBERN
CCOC(=O)C(Cc1c(F)cccc1[N+](=O)[O-])C(=O)OCC	ZINC000166945927	355976757	/nfs/dbraw/zinc/97/67/57/355976757.db2.gz	FCMHJBPSIMWYAS-UHFFFAOYSA-N	0	0	313.281	2.019	10	5		DEBERN
CCOC(=O)CN(C(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C	ZINC000005325517	181229783	/nfs/dbraw/zinc/22/97/83/181229783.db2.gz	CZFNGPVJIKSCID-UHFFFAOYSA-N	0	0	308.334	2.399	10	5		DEBERN
Cc1nn(C)c(C)c1CCCNC(=O)c1ccccc1[N+](=O)[O-]	ZINC000182245358	356117065	/nfs/dbraw/zinc/11/70/65/356117065.db2.gz	HQUJWHAVFITSIQ-UHFFFAOYSA-N	0	0	316.361	2.308	10	5		DEBERN
Cc1ccc(NC(=O)c2ccc3nnn(C)c3c2)cc1[N+](=O)[O-]	ZINC000182325465	356121835	/nfs/dbraw/zinc/12/18/35/356121835.db2.gz	OMGBDWUBJGTKAN-UHFFFAOYSA-N	0	0	311.301	2.437	10	5		DEBERN
CC(=O)[C@@H](C)CCCCc1nc(-c2c([N+](=O)[O-])ncn2C)no1	ZINC000350888309	356582799	/nfs/dbraw/zinc/58/27/99/356582799.db2.gz	JPGXLKDHMNCMDE-VIFPVBQESA-N	0	0	321.337	2.316	10	5		DEBERN
COC[C@H](NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C(C)C	ZINC000086707757	192595332	/nfs/dbraw/zinc/59/53/32/192595332.db2.gz	RBVMYSACIKMYCG-JTQLQIEISA-N	0	0	315.757	2.231	10	5		DEBERN
C[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@H](C)[S@@]1=O	ZINC000589865065	357502417	/nfs/dbraw/zinc/50/24/17/357502417.db2.gz	OOGBVYGDOXTQRO-JVHXITMCSA-N	0	0	319.386	2.489	10	5		DEBERN
CC(=O)N1CC[C@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1	ZINC000596235177	358648366	/nfs/dbraw/zinc/64/83/66/358648366.db2.gz	SNUIHKVLBMGJBO-GFCCVEGCSA-N	0	0	314.345	2.423	10	5		DEBERN
CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H]2CC[C@@H](C1)[S@]2=O	ZINC000599168420	359422997	/nfs/dbraw/zinc/42/29/97/359422997.db2.gz	VFEFXRKNLKMHTC-IFMYKAFSSA-N	0	0	322.386	2.287	10	5		DEBERN
O=[N+]([O-])c1ccccc1/C=C/CN1CCO[C@@]2(CCOC2)C1	ZINC000187549980	200126344	/nfs/dbraw/zinc/12/63/44/200126344.db2.gz	MZDRORUKKLAPDE-WMHVBEDNSA-N	0	0	304.346	2.099	10	5		DEBERN
C[C@@H]1C[C@H](O)CCN1c1ncc([N+](=O)[O-])cc1Br	ZINC000601213931	359968410	/nfs/dbraw/zinc/96/84/10/359968410.db2.gz	NFPNKKKGRAYRNO-VXNVDRBHSA-N	0	0	316.155	2.102	10	5		DEBERN
CO[C@H]1C[C@@H](c2nc(C)no2)N(c2ccc([N+](=O)[O-])cc2F)C1	ZINC000190086024	200485583	/nfs/dbraw/zinc/48/55/83/200485583.db2.gz	WNGPZPOYWJFTCK-GWCFXTLKSA-N	0	0	322.296	2.392	10	5		DEBERN
Cc1ccncc1N1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1	ZINC000619589504	363835422	/nfs/dbraw/zinc/83/54/22/363835422.db2.gz	IDRRIMOSHHUCBL-UHFFFAOYSA-N	0	0	313.361	2.328	10	5		DEBERN
C[C@H]1[C@H](C(F)(F)F)CCN1c1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000359887114	291298415	/nfs/dbraw/zinc/29/84/15/291298415.db2.gz	OIYQMOWECGJWHL-IONNQARKSA-N	0	0	317.267	2.471	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC1([S@@](C)=O)CC1	ZINC000281732681	216508158	/nfs/dbraw/zinc/50/81/58/216508158.db2.gz	HYCBXPBKBLGXQA-XBFAEUMISA-N	0	0	322.386	2.025	10	5		DEBERN
C[NH2+][C@@]1(C(=O)[O-])CC[C@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)C1	ZINC000093847078	193317821	/nfs/dbraw/zinc/31/78/21/193317821.db2.gz	QJCZDMXFQSKNRJ-ZANVPECISA-N	0	0	314.725	2.222	10	5		DEBERN
O=[N+]([O-])c1ccc2[nH]c(NCCOCC(F)(F)F)nc2c1	ZINC000094771938	193396391	/nfs/dbraw/zinc/39/63/91/193396391.db2.gz	XIADTUNFOLXMEJ-UHFFFAOYSA-N	0	0	304.228	2.462	10	5		DEBERN
CNc1cc(C)c(S(=O)(=O)NCCC(C)C)cc1[N+](=O)[O-]	ZINC000094780375	193397624	/nfs/dbraw/zinc/39/76/24/193397624.db2.gz	NMCJFPBGWDUTSJ-UHFFFAOYSA-N	0	0	315.395	2.269	10	5		DEBERN
CCCCNS(=O)(=O)c1cc([N+](=O)[O-])c(NC)cc1C	ZINC000094780372	193397881	/nfs/dbraw/zinc/39/78/81/193397881.db2.gz	PWDDRCXLAISAMR-UHFFFAOYSA-N	0	0	301.368	2.023	10	5		DEBERN
CCNc1cc(C)c(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-]	ZINC000094780410	193398076	/nfs/dbraw/zinc/39/80/76/193398076.db2.gz	JXOKYFLBSHUUKD-UHFFFAOYSA-N	0	0	315.395	2.412	10	5		DEBERN
CCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(NCC)cc1C	ZINC000094780512	193398158	/nfs/dbraw/zinc/39/81/58/193398158.db2.gz	RXCMSODCNZPJBF-UHFFFAOYSA-N	0	0	315.395	2.366	10	5		DEBERN
CC[C@H](C)CN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1C	ZINC000094780515	193398162	/nfs/dbraw/zinc/39/81/62/193398162.db2.gz	GUSWFKFDUPQBPK-VIFPVBQESA-N	0	0	315.395	2.152	10	5		DEBERN
CNc1ccc(S(=O)(=O)N2CCC(C)(C)C2)c([N+](=O)[O-])c1	ZINC000094810469	193399748	/nfs/dbraw/zinc/39/97/48/193399748.db2.gz	OMEGUPAFKHSZEH-UHFFFAOYSA-N	0	0	313.379	2.057	10	5		DEBERN
COC(=O)[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000175371537	284322665	/nfs/dbraw/zinc/32/26/65/284322665.db2.gz	DOPXITVBHQGXJX-CYBMUJFWSA-N	0	0	306.318	2.071	10	5		DEBERN
CO[C@H]1CC[C@H](NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1	ZINC000530355561	284407146	/nfs/dbraw/zinc/40/71/46/284407146.db2.gz	QXILHNDDCCULFN-STQMWFEESA-N	0	0	319.361	2.230	10	5		DEBERN
Cc1cc(CCNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)on1	ZINC000454964414	246292763	/nfs/dbraw/zinc/29/27/63/246292763.db2.gz	PHUKOBKUNKNHRG-NSHDSACASA-N	0	0	318.333	2.494	10	5		DEBERN
C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2cnccn2)CC1	ZINC000027633997	182483027	/nfs/dbraw/zinc/48/30/27/182483027.db2.gz	PYFCEISSOIMRNC-ZDUSSCGKSA-N	0	0	313.361	2.268	10	5		DEBERN
O=c1[nH]cnc(Nc2cccc(Br)c2)c1[N+](=O)[O-]	ZINC000040659838	183114985	/nfs/dbraw/zinc/11/49/85/183114985.db2.gz	BPCZRZKINIRDSO-UHFFFAOYSA-N	0	0	311.095	2.184	10	5		DEBERN
CN(C)N=c1nc[nH]c(Nc2cc(F)ccc2F)c1[N+](=O)[O-]	ZINC000040628964	183110733	/nfs/dbraw/zinc/11/07/33/183110733.db2.gz	JKXRUERBYKKWDU-UHFFFAOYSA-N	0	0	310.264	2.295	10	5		DEBERN
COc1ccccc1Nc1[nH]cnc(=NN(C)C)c1[N+](=O)[O-]	ZINC000040628715	183110851	/nfs/dbraw/zinc/11/08/51/183110851.db2.gz	JOIQEXODHNJAMK-UHFFFAOYSA-N	0	0	304.310	2.026	10	5		DEBERN
CC(=O)N1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1	ZINC000493382953	249288242	/nfs/dbraw/zinc/28/82/42/249288242.db2.gz	JCLGQFXKUFNDPW-JTQLQIEISA-N	0	0	311.769	2.301	10	5		DEBERN
COC[C@@H](O)CN(C)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000042525633	183280345	/nfs/dbraw/zinc/28/03/45/183280345.db2.gz	WEHLNENEFYQDOQ-VIFPVBQESA-N	0	0	308.256	2.057	10	5		DEBERN
C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(N)cc1[N+](=O)[O-]	ZINC000050641025	183793532	/nfs/dbraw/zinc/79/35/32/183793532.db2.gz	CXRSDPJULFSXJA-MWLCHTKSSA-N	0	0	313.379	2.034	10	5		DEBERN
CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC(C)C	ZINC000050652137	183794590	/nfs/dbraw/zinc/79/45/90/183794590.db2.gz	NLZGEGPLLJSFRG-UHFFFAOYSA-N	0	0	315.395	2.303	10	5		DEBERN
CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)C(C)C	ZINC000050657607	183795672	/nfs/dbraw/zinc/79/56/72/183795672.db2.gz	AXMHNXDPRQOKKX-JTQLQIEISA-N	0	0	315.395	2.302	10	5		DEBERN
CCCNc1ccc(S(=O)(=O)N[C@H]2C[C@@H]2C)c([N+](=O)[O-])c1	ZINC000052302033	183857660	/nfs/dbraw/zinc/85/76/60/183857660.db2.gz	DHQRIUGZPBTPMY-ONGXEEELSA-N	0	0	313.379	2.103	10	5		DEBERN
NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1CCc2ccccc21	ZINC000110595989	194341879	/nfs/dbraw/zinc/34/18/79/194341879.db2.gz	HUPXRPIMBMSZFC-NSHDSACASA-N	0	0	312.329	2.231	10	5		DEBERN
Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@@H](C)c1ccccc1	ZINC000064332173	184295031	/nfs/dbraw/zinc/29/50/31/184295031.db2.gz	GFBYCICZUMZTOM-NSHDSACASA-N	0	0	302.334	2.319	10	5		DEBERN
CC[C@@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1nccs1	ZINC000185702784	207367764	/nfs/dbraw/zinc/36/77/64/207367764.db2.gz	VFLWERCFNVDITI-MRVPVSSYSA-N	0	0	308.319	2.033	10	5		DEBERN
CC(C)[NH2+][C@H](COc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-]	ZINC000069508125	184521076	/nfs/dbraw/zinc/52/10/76/184521076.db2.gz	PBTRHHIVLNCZIO-SNVBAGLBSA-N	0	0	302.714	2.078	10	5		DEBERN
O=C(NCc1ccc(=O)[nH]c1)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000118697711	194916355	/nfs/dbraw/zinc/91/63/55/194916355.db2.gz	KAOAUIQJPHQKHX-UHFFFAOYSA-N	0	0	312.285	2.107	10	5		DEBERN
CN(CC1(O)CCOCC1)c1cccc(Cl)c1[N+](=O)[O-]	ZINC000161968883	197532942	/nfs/dbraw/zinc/53/29/42/197532942.db2.gz	KTMQHTRCHHEFTG-UHFFFAOYSA-N	0	0	300.742	2.226	10	5		DEBERN
Cc1ccc2[nH]c(Sc3ncnc(N)c3[N+](=O)[O-])nc2c1	ZINC000158854300	197306458	/nfs/dbraw/zinc/30/64/58/197306458.db2.gz	PDIXJQCJOTZUPA-UHFFFAOYSA-N	0	0	302.319	2.303	10	5		DEBERN
CNc1cccc(Sc2ncnc3[nH]cnc32)c1[N+](=O)[O-]	ZINC000158827362	197304420	/nfs/dbraw/zinc/30/44/20/197304420.db2.gz	IQCZZTCYVGIOMD-UHFFFAOYSA-N	0	0	302.319	2.454	10	5		DEBERN
C[C@@H](CO)N(C)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000158798591	197302066	/nfs/dbraw/zinc/30/20/66/197302066.db2.gz	HJHWNJWSMUQSGI-LURJTMIESA-N	0	0	307.119	2.313	10	5		DEBERN
COC(=O)CCNc1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000158103630	197243990	/nfs/dbraw/zinc/24/39/90/197243990.db2.gz	APXQGSKUKIXRSJ-UHFFFAOYSA-N	0	0	321.102	2.471	10	5		DEBERN
O=[N+]([O-])c1ccccc1N1CCC(c2ccnn2CCO)CC1	ZINC000301089015	285162370	/nfs/dbraw/zinc/16/23/70/285162370.db2.gz	FMHDIMKVMBSGFY-UHFFFAOYSA-N	0	0	316.361	2.168	10	5		DEBERN
CCCNc1sc(S(=O)(=O)N(C)CC)cc1[N+](=O)[O-]	ZINC000157558246	197197703	/nfs/dbraw/zinc/19/77/03/197197703.db2.gz	GWAOIIWGMFMYAO-UHFFFAOYSA-N	0	0	307.397	2.119	10	5		DEBERN
O=[N+]([O-])c1cnc(NCC2(CCO)CC2)c(Br)c1	ZINC000157232868	197171372	/nfs/dbraw/zinc/17/13/72/197171372.db2.gz	ZWBBYRYWLZNIBO-UHFFFAOYSA-N	0	0	316.155	2.327	10	5		DEBERN
CCNc1cccc(C(=O)NCc2cscn2)c1[N+](=O)[O-]	ZINC000157033326	197156291	/nfs/dbraw/zinc/15/62/91/197156291.db2.gz	KDWKJVLJKOHVDK-UHFFFAOYSA-N	0	0	306.347	2.413	10	5		DEBERN
CCCn1nccc1NC(=O)c1ccc([N+](=O)[O-])c(OC)c1	ZINC000154110635	196940665	/nfs/dbraw/zinc/94/06/65/196940665.db2.gz	YAMKFRALVXQXCQ-UHFFFAOYSA-N	0	0	304.306	2.462	10	5		DEBERN
NNc1ccncc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000121992394	195386845	/nfs/dbraw/zinc/38/68/45/195386845.db2.gz	WRGYUBLTZYXWEU-UHFFFAOYSA-N	0	0	307.697	2.181	10	5		DEBERN
O=[N+]([O-])c1ccc(Br)cc1CNCc1cc[nH]n1	ZINC000122086160	195399924	/nfs/dbraw/zinc/39/99/24/195399924.db2.gz	XEAAKJSBOBTBBA-UHFFFAOYSA-N	0	0	311.139	2.370	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(Cc2cnn(-c3ccccc3)c2)c1=O	ZINC000127320877	195866860	/nfs/dbraw/zinc/86/68/60/195866860.db2.gz	UFQCATRJAUVJTH-UHFFFAOYSA-N	0	0	310.313	2.299	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000127736916	195905270	/nfs/dbraw/zinc/90/52/70/195905270.db2.gz	GQYIYGDAKIRIFL-QMTHXVAHSA-N	0	0	310.375	2.424	10	5		DEBERN
O=C(NC1(C(F)(F)F)CCOCC1)c1csc([N+](=O)[O-])c1	ZINC000359889856	133151262	/nfs/dbraw/zinc/15/12/62/133151262.db2.gz	MKMGATLKNYIUQE-UHFFFAOYSA-N	0	0	324.280	2.498	10	5		DEBERN
CCOc1ccc(C(=O)NCCC[C@H](O)CC)cc1[N+](=O)[O-]	ZINC000360307748	133174945	/nfs/dbraw/zinc/17/49/45/133174945.db2.gz	FBOJXFSTKCYHCL-GFCCVEGCSA-N	0	0	310.350	2.274	10	5		DEBERN
O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCCC12CCC2	ZINC000373181859	133381323	/nfs/dbraw/zinc/38/13/23/133381323.db2.gz	WVTBKTSXGPVRAA-UHFFFAOYSA-N	0	0	303.318	2.078	10	5		DEBERN
O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccco1	ZINC000193591132	145087171	/nfs/dbraw/zinc/08/71/71/145087171.db2.gz	WJBKVNHMEDCGRA-JTQLQIEISA-N	0	0	303.274	2.266	10	5		DEBERN
CC(C)[C@@H]1C[C@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000248470731	145156915	/nfs/dbraw/zinc/15/69/15/145156915.db2.gz	IIPOLIGNSSHFTF-KWCYVHTRSA-N	0	0	318.377	2.295	10	5		DEBERN
Cn1cc([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)C2)cn1	ZINC000116118220	401842431	/nfs/dbraw/zinc/84/24/31/401842431.db2.gz	IZMINPGLSCAQPD-SECBINFHSA-N	0	0	306.347	2.020	10	5		DEBERN
COC(=O)[C@](C)(NC(=O)c1cc([N+](=O)[O-])c(C)s1)C1CC1	ZINC000130002581	401814926	/nfs/dbraw/zinc/81/49/26/401814926.db2.gz	OORLDNJXWODBSK-CYBMUJFWSA-N	0	0	312.347	2.036	10	5		DEBERN
O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1	ZINC000044696664	401947680	/nfs/dbraw/zinc/94/76/80/401947680.db2.gz	RYEIBTRMNDWYOI-RKDXNWHRSA-N	0	0	320.271	2.029	10	5		DEBERN
CCCN(C)S(=O)(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1	ZINC000121295250	402026569	/nfs/dbraw/zinc/02/65/69/402026569.db2.gz	BMNJDENILVDLFY-CYBMUJFWSA-N	0	0	315.395	2.222	10	5		DEBERN
O=[N+]([O-])c1cnc(N2CCC[C@@H](Cn3cncn3)C2)c(Cl)c1	ZINC000122997567	402105687	/nfs/dbraw/zinc/10/56/87/402105687.db2.gz	VJHPUIQJTOWVRU-SNVBAGLBSA-N	0	0	322.756	2.151	10	5		DEBERN
COCCc1cc(NC(=O)c2cccc(C)c2[N+](=O)[O-])n(C)n1	ZINC000123127830	402112177	/nfs/dbraw/zinc/11/21/77/402112177.db2.gz	AQHJYFSSWWZDGE-UHFFFAOYSA-N	0	0	318.333	2.078	10	5		DEBERN
C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccn1	ZINC000066327351	402131213	/nfs/dbraw/zinc/13/12/13/402131213.db2.gz	ZDOFLNIJMYUABC-QMMMGPOBSA-N	0	0	313.360	2.091	10	5		DEBERN
CCOC(=O)C(C)(C)NC(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000066529383	402135509	/nfs/dbraw/zinc/13/55/09/402135509.db2.gz	AEDCWNAWDPGNTJ-UHFFFAOYSA-N	0	0	300.336	2.036	10	5		DEBERN
CCn1cc(C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)cn1	ZINC000124020294	402159957	/nfs/dbraw/zinc/15/99/57/402159957.db2.gz	KGJWIINSKFOFCV-UHFFFAOYSA-N	0	0	318.333	2.424	10	5		DEBERN
CC[C@@H](O)CCNc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-]	ZINC000154669401	402225479	/nfs/dbraw/zinc/22/54/79/402225479.db2.gz	UQOYLOLWOXMCTC-HOSRBBHYSA-N	0	0	308.334	2.354	10	5		DEBERN
Cc1cccc([N+](=O)[O-])c1N1CCO[C@@H](Cn2cccn2)C1	ZINC000108949528	402264837	/nfs/dbraw/zinc/26/48/37/402264837.db2.gz	IZYXVSJIQGOTQO-CYBMUJFWSA-N	0	0	302.334	2.005	10	5		DEBERN
COC(=O)N[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)C	ZINC000108153132	402247619	/nfs/dbraw/zinc/24/76/19/402247619.db2.gz	YBOLGZRTMPHHDK-GFCCVEGCSA-N	0	0	309.322	2.222	10	5		DEBERN
CCCCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000070828181	402265232	/nfs/dbraw/zinc/26/52/32/402265232.db2.gz	RFVPUWKXXXGMBN-UHFFFAOYSA-N	0	0	316.379	2.414	10	5		DEBERN
O=[N+]([O-])c1ccn(CCN2CCCC[C@@H]2c2nccs2)n1	ZINC000176222836	402291975	/nfs/dbraw/zinc/29/19/75/402291975.db2.gz	ZJYRNQMATRZDSV-LLVKDONJSA-N	0	0	307.379	2.475	10	5		DEBERN
Cc1ccc([C@@H](C)OC(=O)CN2CCCC2=O)cc1[N+](=O)[O-]	ZINC000176940526	402352860	/nfs/dbraw/zinc/35/28/60/402352860.db2.gz	DQCIJCJJSSAMPC-LLVKDONJSA-N	0	0	306.318	2.130	10	5		DEBERN
Cc1nccn1C[C@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000177216491	402382055	/nfs/dbraw/zinc/38/20/55/402382055.db2.gz	PPMSTXFCNTWNKO-OAHLLOKOSA-N	0	0	314.345	2.405	10	5		DEBERN
COc1c(F)cc(S(=O)(=O)N[C@H](C)C(C)C)cc1[N+](=O)[O-]	ZINC000186191969	402409004	/nfs/dbraw/zinc/40/90/04/402409004.db2.gz	PDNAGLTVEUDYFG-MRVPVSSYSA-N	0	0	320.342	2.065	10	5		DEBERN
CC(=O)N[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C1	ZINC000162856198	402433981	/nfs/dbraw/zinc/43/39/81/402433981.db2.gz	GIDNSWNGHZXZDN-GFCCVEGCSA-N	0	0	320.349	2.036	10	5		DEBERN
C[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCC1=O	ZINC000186548388	402441177	/nfs/dbraw/zinc/44/11/77/402441177.db2.gz	DIXGQWMRBFVXCZ-JTQLQIEISA-N	0	0	317.345	2.220	10	5		DEBERN
C[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCC1=O	ZINC000186548367	402441215	/nfs/dbraw/zinc/44/12/15/402441215.db2.gz	DIXGQWMRBFVXCZ-SNVBAGLBSA-N	0	0	317.345	2.220	10	5		DEBERN
CC(C)c1ccc(C(=O)N[C@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-]	ZINC000187754215	402510666	/nfs/dbraw/zinc/51/06/66/402510666.db2.gz	AGWHFJKGKLNDDS-LBPRGKRZSA-N	0	0	319.361	2.069	10	5		DEBERN
Cc1nc(N2CC[C@H](C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-]	ZINC000178056950	402456160	/nfs/dbraw/zinc/45/61/60/402456160.db2.gz	HKJXECRELVNWEE-NSHDSACASA-N	0	0	307.350	2.466	10	5		DEBERN
CO[C@@H]1C[C@H](c2nc(C)no2)N(c2ccc([N+](=O)[O-])cc2)C1	ZINC000190084726	402574555	/nfs/dbraw/zinc/57/45/55/402574555.db2.gz	PQXUGJLOQZCTCH-CHWSQXEVSA-N	0	0	304.306	2.253	10	5		DEBERN
O=[N+]([O-])c1c(N[C@@H]2Cc3ccccc3[C@@H]2O)nc2sccn21	ZINC000170982589	402547124	/nfs/dbraw/zinc/54/71/24/402547124.db2.gz	OXTXVBDGPRAYMI-MNOVXSKESA-N	0	0	316.342	2.374	10	5		DEBERN
CC1(C)COCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000171203194	402567131	/nfs/dbraw/zinc/56/71/31/402567131.db2.gz	WNKVSWMZXUAECH-UHFFFAOYSA-N	0	0	303.318	2.327	10	5		DEBERN
CCC[C@@]1(C)C(=O)NCCN1Cc1ccc([N+](=O)[O-])cc1C	ZINC000189040277	402530145	/nfs/dbraw/zinc/53/01/45/402530145.db2.gz	METJTDKITBYEGT-INIZCTEOSA-N	0	0	305.378	2.394	10	5		DEBERN
CC(C)[C@@H](C)CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000178720006	402530304	/nfs/dbraw/zinc/53/03/04/402530304.db2.gz	HHKSETKBVKKSDB-NSHDSACASA-N	0	0	300.380	2.306	10	5		DEBERN
CC[C@H](NC(=O)CC1OCCCO1)c1cccc([N+](=O)[O-])c1	ZINC000189480332	402540046	/nfs/dbraw/zinc/54/00/46/402540046.db2.gz	HCWIGEBWQARXMG-ZDUSSCGKSA-N	0	0	308.334	2.315	10	5		DEBERN
C[C@@H](NC(=O)N1CCN(C2CC2)CC1)c1cccc([N+](=O)[O-])c1	ZINC000171643323	402605105	/nfs/dbraw/zinc/60/51/05/402605105.db2.gz	JYMJSEMSNQLGHZ-GFCCVEGCSA-N	0	0	318.377	2.145	10	5		DEBERN
CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H](C)C1	ZINC000182846246	402721531	/nfs/dbraw/zinc/72/15/31/402721531.db2.gz	FBFZHKXJBMVGMR-DGCLKSJQSA-N	0	0	321.377	2.103	10	5		DEBERN
COC(=O)[C@@H]1CCCN1C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1	ZINC000182496444	402694437	/nfs/dbraw/zinc/69/44/37/402694437.db2.gz	QCCYHCKZSCAUOE-VNDWYCCKSA-N	0	0	318.329	2.162	10	5		DEBERN
CCc1cc(N2CC(CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000182942680	402728428	/nfs/dbraw/zinc/72/84/28/402728428.db2.gz	YCYGEKCTGOCFNE-UHFFFAOYSA-N	0	0	314.345	2.043	10	5		DEBERN
CCc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)nc(C)n1	ZINC000174232948	402733003	/nfs/dbraw/zinc/73/30/03/402733003.db2.gz	DNPVSKMNKLGEHG-UHFFFAOYSA-N	0	0	301.306	2.211	10	5		DEBERN
C[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCO1	ZINC000183150455	402742867	/nfs/dbraw/zinc/74/28/67/402742867.db2.gz	OYRLLSNGIYPOGC-ZWNOBZJWSA-N	0	0	318.333	2.302	10	5		DEBERN
O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1COc2ccccc21	ZINC000194624424	402806137	/nfs/dbraw/zinc/80/61/37/402806137.db2.gz	ABANYPLXZBFDGM-LLVKDONJSA-N	0	0	320.326	2.007	10	5		DEBERN
CCC1(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CCC1	ZINC000175463436	402808929	/nfs/dbraw/zinc/80/89/29/402808929.db2.gz	VTIQYWXRBQDAIS-UHFFFAOYSA-N	0	0	306.318	2.235	10	5		DEBERN
O=C1C[C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)CN1C1CC1	ZINC000272425789	402935518	/nfs/dbraw/zinc/93/55/18/402935518.db2.gz	FMSWLYUSIITHCW-QMMMGPOBSA-N	0	0	310.741	2.066	10	5		DEBERN
CC1(C)SC[C@@H]1Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000276375016	403168680	/nfs/dbraw/zinc/16/86/80/403168680.db2.gz	CACUCSRIYOHZOI-NSHDSACASA-N	0	0	316.404	2.304	10	5		DEBERN
CC1(C)SC[C@H]1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-]	ZINC000283634683	403211426	/nfs/dbraw/zinc/21/14/26/403211426.db2.gz	PPHLAPOPAZGCII-SNVBAGLBSA-N	0	0	302.302	2.497	10	5		DEBERN
CC[C@@H]1CN(c2ncccc2[N+](=O)[O-])CCN1CC(F)F	ZINC000270822642	403228358	/nfs/dbraw/zinc/22/83/58/403228358.db2.gz	RYAZYYUZFYVMLH-SNVBAGLBSA-N	0	0	300.309	2.156	10	5		DEBERN
COC[C@H]1CN(c2cc(OC)ccc2[N+](=O)[O-])CC(C)(C)O1	ZINC000284984412	403276240	/nfs/dbraw/zinc/27/62/40/403276240.db2.gz	LBDUDVWFVMWQQN-GFCCVEGCSA-N	0	0	310.350	2.234	10	5		DEBERN
O=[N+]([O-])c1ccc(NC[C@H](CO)Cc2ccccn2)c(F)c1	ZINC000301529561	403642628	/nfs/dbraw/zinc/64/26/28/403642628.db2.gz	HEGCYFLUYUOHNL-LLVKDONJSA-N	0	0	305.309	2.392	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(N2CCO[C@@H](c3nccs3)C2)n1	ZINC000123915938	292287691	/nfs/dbraw/zinc/28/76/91/292287691.db2.gz	JPPDEXNQWKFYTP-LLVKDONJSA-N	0	0	306.347	2.333	10	5		DEBERN
CO[C@H]1CCC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1	ZINC000301766433	403675552	/nfs/dbraw/zinc/67/55/52/403675552.db2.gz	IBOQRPMWEGPCPO-ZJUUUORDSA-N	0	0	321.333	2.295	10	5		DEBERN
O=C1CCC(=O)N1C1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1	ZINC000301817012	403685214	/nfs/dbraw/zinc/68/52/14/403685214.db2.gz	DYTMHKWHHICMLM-UHFFFAOYSA-N	0	0	317.345	2.467	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCS(=O)(=O)[C@H](C)C1	ZINC000156179187	292295565	/nfs/dbraw/zinc/29/55/65/292295565.db2.gz	QXNNVVKQQATNNO-VXGBXAGGSA-N	0	0	312.391	2.083	10	5		DEBERN
C[C@]1(O)CCCC[C@H]1[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1	ZINC000408030136	405093745	/nfs/dbraw/zinc/09/37/45/405093745.db2.gz	KEDURGGMJKRFKM-NOLJZWGESA-N	0	0	321.377	2.469	10	5		DEBERN
C[C@]1(O)CCCC[C@H]1[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1	ZINC000408030134	405093948	/nfs/dbraw/zinc/09/39/48/405093948.db2.gz	KEDURGGMJKRFKM-BJJXKVORSA-N	0	0	321.377	2.469	10	5		DEBERN
Cn1c(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)ccc1[N+](=O)[O-]	ZINC000407961349	405076495	/nfs/dbraw/zinc/07/64/95/405076495.db2.gz	DKEAGIMOSBVULT-BZPMIXESSA-N	0	0	321.377	2.089	10	5		DEBERN
Cc1n[nH]c(C(=O)N2CC3(CCCC3)OC(C)(C)C2)c1[N+](=O)[O-]	ZINC000408428742	405204344	/nfs/dbraw/zinc/20/43/44/405204344.db2.gz	VQJBPUCJWCLYOR-UHFFFAOYSA-N	0	0	322.365	2.190	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccccc2)cc1F	ZINC000129848284	196079995	/nfs/dbraw/zinc/07/99/95/196079995.db2.gz	AZVSMNASRMHLNT-UHFFFAOYSA-N	0	0	310.306	2.212	10	5		DEBERN
CCCCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(NCC)c1	ZINC000131475993	196172416	/nfs/dbraw/zinc/17/24/16/196172416.db2.gz	KYAXXBSGVPKLHP-UHFFFAOYSA-N	0	0	315.395	2.495	10	5		DEBERN
CNc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1[N+](=O)[O-]	ZINC000131685270	196191067	/nfs/dbraw/zinc/19/10/67/196191067.db2.gz	LRXAAMXLUMAJQR-UHFFFAOYSA-N	0	0	313.379	2.057	10	5		DEBERN
CCNc1cc(S(=O)(=O)N(C)[C@H](C)CC)ccc1[N+](=O)[O-]	ZINC000131877520	196206617	/nfs/dbraw/zinc/20/66/17/196206617.db2.gz	MLRUJXHCWZVJCG-SNVBAGLBSA-N	0	0	315.395	2.446	10	5		DEBERN
C[C@@H](N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1)C(C)(C)C	ZINC000132077333	196223666	/nfs/dbraw/zinc/22/36/66/196223666.db2.gz	WBABSMHLQFQFKF-SECBINFHSA-N	0	0	315.395	2.232	10	5		DEBERN
CC(C)C[C@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1	ZINC000132335142	196246978	/nfs/dbraw/zinc/24/69/78/196246978.db2.gz	VLVWZDPCYWAYLB-JTQLQIEISA-N	0	0	315.395	2.232	10	5		DEBERN
Cc1cc(=O)[nH]cc1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1	ZINC000133743830	196333311	/nfs/dbraw/zinc/33/33/11/196333311.db2.gz	FHSMDISBMMWJOL-UHFFFAOYSA-N	0	0	315.329	2.257	10	5		DEBERN
Cc1cc([N+](=O)[O-])c(Cl)cc1N[C@@H](C)CS(C)(=O)=O	ZINC000135439025	196473690	/nfs/dbraw/zinc/47/36/90/196473690.db2.gz	COXBNVRWRKLBRX-QMMMGPOBSA-N	0	0	306.771	2.402	10	5		DEBERN
Cc1nn(C)c(C)c1C[C@H](C)Nc1cc(CO)ccc1[N+](=O)[O-]	ZINC000302033408	230049566	/nfs/dbraw/zinc/04/95/66/230049566.db2.gz	KYGLNLZEICUAJT-JTQLQIEISA-N	0	0	318.377	2.481	10	5		DEBERN
O=[N+]([O-])c1cnc2ccc(NCC(F)(F)c3ccccc3)nn21	ZINC000357618188	424817708	/nfs/dbraw/zinc/81/77/08/424817708.db2.gz	NZEJWECOLJEGCH-UHFFFAOYSA-N	0	0	319.271	2.841	10	5		DEBERN
CCS(=O)(=O)C[C@@H](C)N(C)Cc1ccc([N+](=O)[O-])cc1C	ZINC000183348750	276388259	/nfs/dbraw/zinc/38/82/59/276388259.db2.gz	BHHSTZYAOLRQIY-GFCCVEGCSA-N	0	0	314.407	2.158	10	5		DEBERN
COC(=O)c1cc(N2CCO[C@H](C)[C@H]2C)cc(C)c1[N+](=O)[O-]	ZINC000268837068	277152443	/nfs/dbraw/zinc/15/24/43/277152443.db2.gz	URKYFGRMIKNHBZ-GHMZBOCLSA-N	0	0	308.334	2.303	10	5		DEBERN
COc1cc(N2CCN(CC(F)F)CC2)c([N+](=O)[O-])cc1F	ZINC000268236336	277381883	/nfs/dbraw/zinc/38/18/83/277381883.db2.gz	UBKNLZVBRSITBS-UHFFFAOYSA-N	0	0	319.283	2.130	10	5		DEBERN
Cc1c([N+](=O)[O-])cc(C(=O)N2CCOCC[C@@H]2C)cc1[N+](=O)[O-]	ZINC000367647792	278609462	/nfs/dbraw/zinc/60/94/62/278609462.db2.gz	ZXQACCOEVLVVLD-VIFPVBQESA-N	0	0	323.305	2.062	10	5		DEBERN
O=[N+]([O-])c1nccc(I)c1OC1CC1	ZINC000095735926	280383869	/nfs/dbraw/zinc/38/38/69/280383869.db2.gz	XZBPIKXGFRXIIX-UHFFFAOYSA-N	0	0	306.059	2.136	10	5		DEBERN
Cc1cc(C)n([C@@H](C)C(=O)NCc2cccc([N+](=O)[O-])c2)n1	ZINC000067072688	281517462	/nfs/dbraw/zinc/51/74/62/281517462.db2.gz	JSRUJPLEFOGWPV-LBPRGKRZSA-N	0	0	302.334	2.286	10	5		DEBERN
C[C@@H]1COC[C@H](C)N1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12	ZINC000265880996	288376512	/nfs/dbraw/zinc/37/65/12/288376512.db2.gz	MRDSHMKFIDBXCI-AOOOYVTPSA-N	0	0	303.318	2.326	10	5		DEBERN
Cc1ccnc(N2CCC[C@H](NC(=O)C(C)C)C2)c1[N+](=O)[O-]	ZINC000301293057	302271267	/nfs/dbraw/zinc/27/12/67/302271267.db2.gz	OEALEUAIWBQACJ-LBPRGKRZSA-N	0	0	306.366	2.039	10	5		DEBERN
Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc(C)c1[N+](=O)[O-]	ZINC000177713682	302677881	/nfs/dbraw/zinc/67/78/81/302677881.db2.gz	UQRFIPUKEFERKH-GFCCVEGCSA-N	0	0	315.333	2.068	10	5		DEBERN
CC(C)(C)OC(=O)N(c1ccc([N+](=O)[O-])c([O-])c1)[C@H]1CC[NH2+]C1	ZINC000584654159	337377712	/nfs/dbraw/zinc/37/77/12/337377712.db2.gz	QNMJEBJRDQCMNB-NSHDSACASA-N	0	0	323.349	2.404	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NCCN(C)c1ccccc1	ZINC000053643297	501006158	/nfs/dbraw/zinc/00/61/58/501006158.db2.gz	ARZUAJPXTVMUJM-UHFFFAOYSA-N	0	0	314.345	2.164	10	5		DEBERN
C[C@@H]1C[C@@H](C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1	ZINC000246100244	525187251	/nfs/dbraw/zinc/18/72/51/525187251.db2.gz	JELJULAWOIBEFL-DABQJJPHSA-N	0	0	306.362	2.457	10	5		DEBERN
Cc1ccccc1SCC(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000122582755	525337551	/nfs/dbraw/zinc/33/75/51/525337551.db2.gz	XWVSRZMNESZNPI-UHFFFAOYSA-N	0	0	320.374	2.008	10	5		DEBERN
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@H](C)CO	ZINC000248837253	536135364	/nfs/dbraw/zinc/13/53/64/536135364.db2.gz	NEQNICWSAXVHKM-YRGRVCCFSA-N	0	0	308.378	2.297	10	5		DEBERN
Cc1nn(CN2CCC[C@H]2Cn2ccnc2C)c(C)c1[N+](=O)[O-]	ZINC000176076959	624661355	/nfs/dbraw/zinc/66/13/55/624661355.db2.gz	BSMSBEHGPXKDHQ-AWEZNQCLSA-N	0	0	318.381	2.035	10	5		DEBERN
Cn1ccsc1=NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000255849559	625862032	/nfs/dbraw/zinc/86/20/32/625862032.db2.gz	WWRJZSYRBASSBM-UHFFFAOYSA-N	0	0	302.315	2.217	10	5		DEBERN
CN(CCCNC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])nc1	ZINC000736298202	633592752	/nfs/dbraw/zinc/59/27/52/633592752.db2.gz	APKAAJGWKPFJJF-UHFFFAOYSA-N	0	0	310.354	2.341	10	5		DEBERN
CCOc1ccc(C(=O)NC(C)(C)CC(=O)OC)cc1[N+](=O)[O-]	ZINC000741196475	637949855	/nfs/dbraw/zinc/94/98/55/637949855.db2.gz	LARZSROVQMQOQQ-UHFFFAOYSA-N	0	0	324.333	2.065	10	5		DEBERN
CC(=O)N1CC[C@@](C)(C(=O)O[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1	ZINC000747113403	638408939	/nfs/dbraw/zinc/40/89/39/638408939.db2.gz	JFSOJTKWXCVYPG-MEDUHNTESA-N	0	0	320.345	2.458	10	5		DEBERN
CCNc1ccc(C(=O)OC/C=C(/C)C(=O)OC)cc1[N+](=O)[O-]	ZINC000748164774	638520221	/nfs/dbraw/zinc/52/02/21/638520221.db2.gz	QBQYMUCMQVOEJI-YFHOEESVSA-N	0	0	322.317	2.303	10	5		DEBERN
CC(=CC(=O)NCc1cc(C)n[nH]1)c1ccc([N+](=O)[O-])cc1	ZINC000752387886	639179762	/nfs/dbraw/zinc/17/97/62/639179762.db2.gz	VAFYCGXLBNBVCW-JXMROGBWSA-N	0	0	300.318	2.346	10	5		DEBERN
C/C(=C/C(=O)NC[C@@](C)(O)C1CC1)c1ccc([N+](=O)[O-])cc1	ZINC000752494096	639190312	/nfs/dbraw/zinc/19/03/12/639190312.db2.gz	GBCNOBOEJYXXMM-HGPCXVNDSA-N	0	0	304.346	2.275	10	5		DEBERN
C/C(=C/C(=O)NC[C@@H]1COC(C)(C)O1)c1ccc([N+](=O)[O-])cc1	ZINC000752559101	639198110	/nfs/dbraw/zinc/19/81/10/639198110.db2.gz	FSIQHNSXEBHRBO-KOTGUFOOSA-N	0	0	320.345	2.266	10	5		DEBERN
CC(C)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)N(C)C	ZINC000729706542	640829216	/nfs/dbraw/zinc/82/92/16/640829216.db2.gz	QTVDXIZXCWGKEB-GFCCVEGCSA-N	0	0	312.297	2.004	10	5		DEBERN
Cc1nn(C)c(C(=O)OC[C@@H]2Cc3ccccc32)c1[N+](=O)[O-]	ZINC000803309163	645634344	/nfs/dbraw/zinc/63/43/44/645634344.db2.gz	QHNYOTOXCVHBMB-NSHDSACASA-N	0	0	301.302	2.133	10	5		DEBERN
CC(C)(C(=O)OC[C@@H]1Cc2ccccc21)n1cc([N+](=O)[O-])cn1	ZINC000803332760	645635861	/nfs/dbraw/zinc/63/58/61/645635861.db2.gz	SWNCHSHWHJQVNJ-LBPRGKRZSA-N	0	0	315.329	2.410	10	5		DEBERN
CC(C)(C(=O)OC[C@H]1Cc2ccccc21)n1cc([N+](=O)[O-])cn1	ZINC000803332758	645636304	/nfs/dbraw/zinc/63/63/04/645636304.db2.gz	SWNCHSHWHJQVNJ-GFCCVEGCSA-N	0	0	315.329	2.410	10	5		DEBERN
CC(C)(C)OCC[C@H]1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000804210928	645741551	/nfs/dbraw/zinc/74/15/51/645741551.db2.gz	BFYCOBJFWYFVGS-GFCCVEGCSA-N	0	0	321.333	2.225	10	5		DEBERN
CN(C)c1ncccc1CNC(=O)c1cc(F)ccc1[N+](=O)[O-]	ZINC000063504973	646773760	/nfs/dbraw/zinc/77/37/60/646773760.db2.gz	KXADUAKUXLVNDN-UHFFFAOYSA-N	0	0	318.308	2.125	10	5		DEBERN
COc1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1	ZINC000064241116	648036469	/nfs/dbraw/zinc/03/64/69/648036469.db2.gz	SVMSPTKLHPWIRV-UHFFFAOYSA-N	0	0	315.328	2.433	10	5		DEBERN
O=C(OCC(F)(F)F)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000064444379	648335494	/nfs/dbraw/zinc/33/54/94/648335494.db2.gz	WEYJRIXRTKONFI-UHFFFAOYSA-N	0	0	315.207	2.500	10	5		DEBERN
COc1ccccc1[C@H](O)CNC(=O)c1ccccc1[N+](=O)[O-]	ZINC000041453767	683889911	/nfs/dbraw/zinc/88/99/11/683889911.db2.gz	LDOWWPZPOWDIOC-CQSZACIVSA-N	0	0	316.313	2.067	10	5		DEBERN
COc1ccccc1[C@@H](O)CNC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000041453506	683890313	/nfs/dbraw/zinc/89/03/13/683890313.db2.gz	XKZPGZLPCCIZKL-AWEZNQCLSA-N	0	0	316.313	2.067	10	5		DEBERN
CCC(=O)N1CC[C@@H](C(=O)O[C@H](C)c2ccc([N+](=O)[O-])cc2)C1	ZINC000123182121	684122597	/nfs/dbraw/zinc/12/25/97/684122597.db2.gz	CLPRKGJGGTYKBE-DGCLKSJQSA-N	0	0	320.345	2.458	10	5		DEBERN
Cc1nnc(COc2ccc([N+](=O)[O-])cc2C=O)n1C1CC1	ZINC000130521750	684189841	/nfs/dbraw/zinc/18/98/41/684189841.db2.gz	ZBYURXMSVROELC-UHFFFAOYSA-N	0	0	302.290	2.221	10	5		DEBERN
COC(=O)[C@H]1CCCN1C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1	ZINC000588436357	777181839	/nfs/dbraw/zinc/18/18/39/777181839.db2.gz	QCCYHCKZSCAUOE-IWMPZKFUSA-N	0	0	318.329	2.162	10	5		DEBERN
CCOC(=O)CN(CC)C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1	ZINC000588437516	777194209	/nfs/dbraw/zinc/19/42/09/777194209.db2.gz	ZQCWXMJBGQBSHD-BENRWUELSA-N	0	0	320.345	2.410	10	5		DEBERN
Cc1cn(C[C@](C)(O)C(F)(F)C(F)(F)F)nc1[N+](=O)[O-]	ZINC000724038206	787346562	/nfs/dbraw/zinc/34/65/62/787346562.db2.gz	XYQIKPRQBVKFOW-ZETCQYMHSA-N	0	0	303.187	2.048	10	5		DEBERN
Cn1cnc([N+](=O)[O-])c1NCc1ncc(Br)s1	ZINC000714937890	792360343	/nfs/dbraw/zinc/36/03/43/792360343.db2.gz	ZUDLPWPZTIPNNL-UHFFFAOYSA-N	0	0	318.156	2.159	10	5		DEBERN
O=C(Nc1ncc(Br)s1)c1cc([N+](=O)[O-])c[nH]1	ZINC000037437159	1078201044	/nfs/dbraw/zinc/20/10/44/1078201044.db2.gz	BFTIZVXQDOAKKK-UHFFFAOYSA-N	0	0	317.124	2.394	10	5		DEBERN
Cc1nc2ccccn2c1CNC(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000075300903	1080238637	/nfs/dbraw/zinc/23/86/37/1080238637.db2.gz	NIKFMOPRQZYSSF-UHFFFAOYSA-N	0	0	324.340	2.410	10	5		DEBERN
C[C@@H](F)CCNC(=O)c1cc([N+](=O)[O-])ncc1Br	ZINC000702569736	1086444351	/nfs/dbraw/zinc/44/43/51/1086444351.db2.gz	JZFFXFAPWSYOHK-ZCFIWIBFSA-N	0	0	320.118	2.230	10	5		DEBERN
O=[N+]([O-])c1cnc2ccccc2c1N1CC[C@H](C2OCCO2)C1	ZINC000718995127	1088750440	/nfs/dbraw/zinc/75/04/40/1088750440.db2.gz	WPPJTHGSWHLEFQ-NSHDSACASA-N	0	0	315.329	2.342	10	5		DEBERN
O=[N+]([O-])c1cnc(N[C@H]2CCCN3CCSC[C@H]23)s1	ZINC000720410864	1089732620	/nfs/dbraw/zinc/73/26/20/1089732620.db2.gz	LARIFVCUOLZWKV-DTWKUNHWSA-N	0	0	300.409	2.043	10	5		DEBERN
CC[C@@H](C)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N	ZINC000088311768	185245154	/nfs/dbraw/zinc/24/51/54/185245154.db2.gz	FUSXYGBAZIHMMR-NXEZZACHSA-N	0	0	315.395	2.280	10	5		DEBERN
O=C(Nc1ncccc1Br)c1ccc([N+](=O)[O-])[nH]1	ZINC000088447724	185251301	/nfs/dbraw/zinc/25/13/01/185251301.db2.gz	XFDIRSMMHKONNB-UHFFFAOYSA-N	0	0	311.095	2.333	10	5		DEBERN
COC(=O)[C@H](C)CSc1c([N+](=O)[O-])c(C(C)C)nn1C	ZINC000090103962	185282523	/nfs/dbraw/zinc/28/25/23/185282523.db2.gz	XIDIALXWOKZROO-MRVPVSSYSA-N	0	0	301.368	2.353	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCOC3(CCCC3)C2)n1	ZINC000191677607	282333302	/nfs/dbraw/zinc/33/33/02/282333302.db2.gz	GTQYOEUJISSFDY-NSHDSACASA-N	0	0	322.365	2.033	10	5		DEBERN
O=C(CC1=CSC2=NCCN12)Nc1cccc([N+](=O)[O-])c1	ZINC000170574852	197779187	/nfs/dbraw/zinc/77/91/87/197779187.db2.gz	DQACZGDIOUVBPJ-UHFFFAOYSA-N	0	0	304.331	2.183	10	5		DEBERN
CCCNc1ccc(S(=O)(=O)N[C@H](C)CC)c([N+](=O)[O-])c1	ZINC000050637345	190680365	/nfs/dbraw/zinc/68/03/65/190680365.db2.gz	ZCOILNLPOKPKSB-SNVBAGLBSA-N	0	0	315.395	2.494	10	5		DEBERN
CCNc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C(C)C	ZINC000050639731	190680631	/nfs/dbraw/zinc/68/06/31/190680631.db2.gz	UDBVZOABNFCEFC-UHFFFAOYSA-N	0	0	301.368	2.056	10	5		DEBERN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)sc1Cl	ZINC000107551350	185483857	/nfs/dbraw/zinc/48/38/57/185483857.db2.gz	UWSJUXMRKXENQV-UHFFFAOYSA-N	0	0	310.784	2.484	10	5		DEBERN
CCOc1ccc(C(=O)N[C@@]2(CC)CCOC2)cc1[N+](=O)[O-]	ZINC000616690606	362910828	/nfs/dbraw/zinc/91/08/28/362910828.db2.gz	VNHBHGQPOBQGLX-HNNXBMFYSA-N	0	0	308.334	2.292	10	5		DEBERN
CC[C@](C)(CO)Nc1ncc(Br)cc1[N+](=O)[O-]	ZINC000083876392	192387788	/nfs/dbraw/zinc/38/77/88/192387788.db2.gz	GPULJWZJKXXNRJ-SNVBAGLBSA-N	0	0	304.144	2.325	10	5		DEBERN
CCCOC(=O)CN1c2cc([N+](=O)[O-])ccc2O[C@H](CC)C1=O	ZINC000071505004	190986496	/nfs/dbraw/zinc/98/64/96/190986496.db2.gz	YZCRIJVVMQXPCI-GFCCVEGCSA-N	0	0	322.317	2.052	10	5		DEBERN
COCCCCS(=O)(=O)Oc1cccc([N+](=O)[O-])c1C	ZINC000133657907	186004229	/nfs/dbraw/zinc/00/42/29/186004229.db2.gz	JJWXORLSWIWKIC-UHFFFAOYSA-N	0	0	303.336	2.038	10	5		DEBERN
C[C@H](CO[C@H]1CCOC1)Nc1ncc([N+](=O)[O-])cc1Cl	ZINC000133718842	186009404	/nfs/dbraw/zinc/00/94/04/186009404.db2.gz	SCGRACNOXNDEOF-SCZZXKLOSA-N	0	0	301.730	2.249	10	5		DEBERN
CC(C)CCCCNS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1	ZINC000147660386	186041002	/nfs/dbraw/zinc/04/10/02/186041002.db2.gz	SGPHZZMEUCUYQQ-UHFFFAOYSA-N	0	0	315.395	2.282	10	5		DEBERN
CCOc1nc(N)nc(Oc2ccc([N+](=O)[O-])cc2Cl)n1	ZINC000147841920	186042117	/nfs/dbraw/zinc/04/21/17/186042117.db2.gz	JGQUTDXZMBYRJW-UHFFFAOYSA-N	0	0	311.685	2.206	10	5		DEBERN
CCNc1sc(S(=O)(=O)N(C)C2CCC2)cc1[N+](=O)[O-]	ZINC000144250492	186035340	/nfs/dbraw/zinc/03/53/40/186035340.db2.gz	VHJYCOVWQRONAE-UHFFFAOYSA-N	0	0	319.408	2.261	10	5		DEBERN
COC(=O)CCCCCNC(=O)c1cc(C)cc([N+](=O)[O-])c1	ZINC000149832434	186053161	/nfs/dbraw/zinc/05/31/61/186053161.db2.gz	KNIYNPXDBCPIJT-UHFFFAOYSA-N	0	0	308.334	2.366	10	5		DEBERN
COc1ccc2oc3c(OC)c(O)c(OC)c(O)c3c(=O)c2c1	ZINC000014648842	290904489	/nfs/dbraw/zinc/90/44/89/290904489.db2.gz	DDZOJPRABMAJAZ-UHFFFAOYSA-N	0	0	318.281	2.383	10	5	biogenic,in-vitro	DEBERN
Cc1c(C(=O)N[C@H]2CCCOC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]	ZINC000171677517	197965354	/nfs/dbraw/zinc/96/53/54/197965354.db2.gz	ORBFXPUBBAXQLV-JTQLQIEISA-N	0	0	323.305	2.029	10	5		DEBERN
CN(c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C)[C@H]1CCSC1	ZINC000289304742	186610605	/nfs/dbraw/zinc/61/06/05/186610605.db2.gz	IYFPWMLCCMQESW-LBPRGKRZSA-N	0	0	319.390	2.332	10	5		DEBERN
O=c1c([N+](=O)[O-])c(N2C[C@@H]3CC=CC[C@H]3C2)nc2ccccn21	ZINC000078372130	355257200	/nfs/dbraw/zinc/25/72/00/355257200.db2.gz	IWIVMWSJUWHAMF-RYUDHWBXSA-N	0	0	312.329	2.005	10	5		DEBERN
CCOC(=O)c1ccnc(N[C@@H]2CCCC[C@@H]2CO)c1[N+](=O)[O-]	ZINC000077209842	191674696	/nfs/dbraw/zinc/67/46/96/191674696.db2.gz	YDHCJLGVUSZJQI-ZYHUDNBSSA-N	0	0	323.349	2.130	10	5		DEBERN
Cc1cc2c(I)nn(C)c2cc1[N+](=O)[O-]	ZINC000115062872	355767026	/nfs/dbraw/zinc/76/70/26/355767026.db2.gz	BRLWGORQAVLAHI-UHFFFAOYSA-N	0	0	317.086	2.395	10	5		DEBERN
COc1ccc(CSCC(=O)N[C@H]2C[C@H]2C)cc1[N+](=O)[O-]	ZINC000171052943	355996091	/nfs/dbraw/zinc/99/60/91/355996091.db2.gz	MALXVUSVVUSBSM-KOLCDFICSA-N	0	0	310.375	2.361	10	5		DEBERN
O=c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1Cc1ccccn1	ZINC000005380881	181237129	/nfs/dbraw/zinc/23/71/29/181237129.db2.gz	OVCJZWFKMIXTOG-UHFFFAOYSA-N	0	0	308.297	2.262	10	5		DEBERN
C[C@@H](NCc1nsc(N(C)C)n1)c1cccc([N+](=O)[O-])c1	ZINC000180441445	356050970	/nfs/dbraw/zinc/05/09/70/356050970.db2.gz	RGNLWIXVKDCPSE-SECBINFHSA-N	0	0	307.379	2.363	10	5		DEBERN
O=[N+]([O-])c1ccc(Cn2cc(I)cn2)o1	ZINC000079903841	191983457	/nfs/dbraw/zinc/98/34/57/191983457.db2.gz	DCZXPSIWNFPBNA-UHFFFAOYSA-N	0	0	319.058	2.037	10	5		DEBERN
COCc1ccc(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)o1	ZINC000193588407	356227096	/nfs/dbraw/zinc/22/70/96/356227096.db2.gz	ZVSDIIJUPWKHDS-UHFFFAOYSA-N	0	0	320.301	2.273	10	5		DEBERN
Cc1cc(NC(=O)NCCCN2CCCC2=O)ccc1[N+](=O)[O-]	ZINC000193573167	356227335	/nfs/dbraw/zinc/22/73/35/356227335.db2.gz	YINJTCFAHIBEPS-UHFFFAOYSA-N	0	0	320.349	2.037	10	5		DEBERN
COc1ccc(OCc2nnc(C(C)C)n2C)c([N+](=O)[O-])c1	ZINC000194668572	356243218	/nfs/dbraw/zinc/24/32/18/356243218.db2.gz	DGDCGGXJFYOXED-UHFFFAOYSA-N	0	0	306.322	2.434	10	5		DEBERN
CN(C[C@@H]1CCCOC1)C(=O)c1ccnc(Cl)c1[N+](=O)[O-]	ZINC000088806275	192644552	/nfs/dbraw/zinc/64/45/52/192644552.db2.gz	JJNBBAHVTAQYSN-VIFPVBQESA-N	0	0	313.741	2.142	10	5		DEBERN
COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C)c2ccncc2)n1	ZINC000587992955	357386052	/nfs/dbraw/zinc/38/60/52/357386052.db2.gz	ZZBZENPGFLKEBP-JTQLQIEISA-N	0	0	316.317	2.387	10	5		DEBERN
COC(=O)c1ccc(OCCc2ccccn2)c([N+](=O)[O-])c1	ZINC000587073471	357380464	/nfs/dbraw/zinc/38/04/64/357380464.db2.gz	FGWLZEUIWIFWRZ-UHFFFAOYSA-N	0	0	302.286	2.398	10	5		DEBERN
C[C@@H]1C[C@@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)CC(C)(C)C1	ZINC000180490012	199166164	/nfs/dbraw/zinc/16/61/64/199166164.db2.gz	SGYRHDYGTYHLMF-VXGBXAGGSA-N	0	0	308.382	2.370	10	5		DEBERN
CO[C@@](C)(CO)CNc1ccc(Br)cc1[N+](=O)[O-]	ZINC000594590342	358298756	/nfs/dbraw/zinc/29/87/56/358298756.db2.gz	XUJXROMILFCGDV-LLVKDONJSA-N	0	0	319.155	2.167	10	5		DEBERN
CCCC1(O)CN(c2ncc(Br)cc2[N+](=O)[O-])C1	ZINC000089655383	192836307	/nfs/dbraw/zinc/83/63/07/192836307.db2.gz	TVRREMBYIFQBPB-UHFFFAOYSA-N	0	0	316.155	2.104	10	5		DEBERN
CCOC(=O)CC[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000089803087	192874133	/nfs/dbraw/zinc/87/41/33/192874133.db2.gz	XAITYQXDJUDFEL-NSHDSACASA-N	0	0	308.334	2.365	10	5		DEBERN
C[C@H]1OCC[C@H]1S(=O)(=O)Oc1c(Cl)cccc1[N+](=O)[O-]	ZINC000190272542	291235085	/nfs/dbraw/zinc/23/50/85/291235085.db2.gz	WPYMFWNLAYYZMT-GMSGAONNSA-N	0	0	321.738	2.134	10	5		DEBERN
O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCCCC1CC1	ZINC000609865847	361344523	/nfs/dbraw/zinc/34/45/23/361344523.db2.gz	KHGBCQRZEMWHHE-UHFFFAOYSA-N	0	0	319.361	2.021	10	5		DEBERN
C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccncc1	ZINC000610526397	361416962	/nfs/dbraw/zinc/41/69/62/361416962.db2.gz	PUUOVSZPAZITFA-SECBINFHSA-N	0	0	318.308	2.245	10	5		DEBERN
CC(=O)N(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1	ZINC000610771350	361463910	/nfs/dbraw/zinc/46/39/10/361463910.db2.gz	GCLDXKNKDBIVFZ-UHFFFAOYSA-N	0	0	314.301	2.225	10	5		DEBERN
Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCOc2ccccc21	ZINC000180600919	283677655	/nfs/dbraw/zinc/67/76/55/283677655.db2.gz	NVNBZEPPWWEHKL-LBPRGKRZSA-N	0	0	313.313	2.431	10	5		DEBERN
C[C@@H](c1ccccc1[N+](=O)[O-])N1CCO[C@H](C(=O)C2CC2)C1	ZINC000619781699	363876018	/nfs/dbraw/zinc/87/60/18/363876018.db2.gz	FVMHMSMCWNHVOZ-NHYWBVRUSA-N	0	0	304.346	2.336	10	5		DEBERN
COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000190702884	284205452	/nfs/dbraw/zinc/20/54/52/284205452.db2.gz	XXXIWKYBTMGHTI-BNOWGMLFSA-N	0	0	318.329	2.009	10	5		DEBERN
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1NN)c1cccs1	ZINC000161553347	197503399	/nfs/dbraw/zinc/50/33/99/197503399.db2.gz	AXIINKVHEYEXDE-QMMMGPOBSA-N	0	0	306.347	2.433	10	5		DEBERN
Cc1cc(C)c(CNC(=O)c2cccc([N+](=O)[O-])c2C)c(=O)[nH]1	ZINC000016510385	182047846	/nfs/dbraw/zinc/04/78/46/182047846.db2.gz	HVLSAGDKCKBXIN-UHFFFAOYSA-N	0	0	315.329	2.138	10	5		DEBERN
Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-]	ZINC000017325888	182083394	/nfs/dbraw/zinc/08/33/94/182083394.db2.gz	BPZZCJIZNYQMOD-IUCAKERBSA-N	0	0	323.305	2.061	10	5		DEBERN
O=[N+]([O-])c1c(N2CCC[C@H]2Cn2ccnc2)nc2sccn21	ZINC000267355046	206007508	/nfs/dbraw/zinc/00/75/08/206007508.db2.gz	HDACTMCYPZIWOA-JTQLQIEISA-N	0	0	318.362	2.170	10	5		DEBERN
CNC(=O)Cc1nc(CSc2ccc([N+](=O)[O-])cn2)cs1	ZINC000160284635	291665592	/nfs/dbraw/zinc/66/55/92/291665592.db2.gz	XOKCOTCTLUYGEN-UHFFFAOYSA-N	0	0	324.387	2.027	10	5		DEBERN
Cc1cnn(C)c1C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1	ZINC000038506291	183000317	/nfs/dbraw/zinc/00/03/17/183000317.db2.gz	BVMRWQYGYFCCEG-UHFFFAOYSA-N	0	0	317.330	2.499	10	5		DEBERN
Cc1ccc2nc(Nc3nc[nH]c(=O)c3[N+](=O)[O-])sc2c1	ZINC000040650531	183114076	/nfs/dbraw/zinc/11/40/76/183114076.db2.gz	GVBMLYSQWVNTNU-UHFFFAOYSA-N	0	0	303.303	2.340	10	5		DEBERN
CCNc1ncnc(Nc2ccc3c(c2)OCCO3)c1[N+](=O)[O-]	ZINC000040596282	183107338	/nfs/dbraw/zinc/10/73/38/183107338.db2.gz	GEPDRWAJCOPZJL-UHFFFAOYSA-N	0	0	317.305	2.331	10	5		DEBERN
Nc1ncnc(Nc2ccccc2Br)c1[N+](=O)[O-]	ZINC000040608708	183109080	/nfs/dbraw/zinc/10/90/80/183109080.db2.gz	XWNUXRYQVSYTHO-UHFFFAOYSA-N	0	0	310.111	2.473	10	5		DEBERN
Nc1ccccc1OCC[S@@](=O)c1ccc([N+](=O)[O-])cc1	ZINC000040970188	183152881	/nfs/dbraw/zinc/15/28/81/183152881.db2.gz	QKXLTQCUJQCGLF-NRFANRHFSA-N	0	0	306.343	2.364	10	5		DEBERN
COC[C@H](C)N(C)c1ncc(Br)cc1[N+](=O)[O-]	ZINC000042520164	183279597	/nfs/dbraw/zinc/27/95/97/183279597.db2.gz	FFHPCWZEXVGSSF-ZETCQYMHSA-N	0	0	304.144	2.223	10	5		DEBERN
CO[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccccc1	ZINC000042750471	183304166	/nfs/dbraw/zinc/30/41/66/183304166.db2.gz	SLIIZJUWIYTYPN-OAHLLOKOSA-N	0	0	315.329	2.416	10	5		DEBERN
Cc1cc(NS(=O)(=O)c2ccc(N)cc2)ccc1[N+](=O)[O-]	ZINC000043571939	183372786	/nfs/dbraw/zinc/37/27/86/183372786.db2.gz	QMPLODGXDUMDMB-UHFFFAOYSA-N	0	0	307.331	2.286	10	5		DEBERN
Cc1cnc(N2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)c([N+](=O)[O-])c1	ZINC000284447118	218031194	/nfs/dbraw/zinc/03/11/94/218031194.db2.gz	AYOZRDDWNBFJIW-XJKCOSOUSA-N	0	0	321.377	2.055	10	5		DEBERN
CCC[C@@H](C)NS(=O)(=O)c1cc(NC)ccc1[N+](=O)[O-]	ZINC000050632777	183791621	/nfs/dbraw/zinc/79/16/21/183791621.db2.gz	CRXFPDCUKGDKAM-SECBINFHSA-N	0	0	301.368	2.103	10	5		DEBERN
CC[C@@H](C)CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1NC	ZINC000050652697	183795071	/nfs/dbraw/zinc/79/50/71/183795071.db2.gz	UMYXRFLMPWALFI-SNVBAGLBSA-N	0	0	315.395	2.303	10	5		DEBERN
CC[C@@H](C)CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NC	ZINC000050652694	183795127	/nfs/dbraw/zinc/79/51/27/183795127.db2.gz	VARVOKCULZAZGC-SNVBAGLBSA-N	0	0	315.395	2.303	10	5		DEBERN
CCNc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](C)C1	ZINC000050669585	183796532	/nfs/dbraw/zinc/79/65/32/183796532.db2.gz	ALPXXVROGVZKAZ-SNVBAGLBSA-N	0	0	313.379	2.057	10	5		DEBERN
CC(=O)N1CCN(c2ccc3ncccc3c2[N+](=O)[O-])[C@H](C)C1	ZINC000534270338	284825798	/nfs/dbraw/zinc/82/57/98/284825798.db2.gz	VTVJXDCEVXAXDI-LLVKDONJSA-N	0	0	314.345	2.200	10	5		DEBERN
COC(=O)[C@H](C)CN(C)C(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000111010631	194381617	/nfs/dbraw/zinc/38/16/17/194381617.db2.gz	XRELWSLMFAGRAY-MRVPVSSYSA-N	0	0	314.725	2.129	10	5		DEBERN
O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1COc2ccccc21	ZINC000058970412	184132819	/nfs/dbraw/zinc/13/28/19/184132819.db2.gz	OCDOJSOBAFQVON-CYBMUJFWSA-N	0	0	313.313	2.257	10	5		DEBERN
COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)Nc1ccccn1	ZINC000059381685	184138123	/nfs/dbraw/zinc/13/81/23/184138123.db2.gz	ZHFRCAMNUZHLTH-UHFFFAOYSA-N	0	0	316.317	2.317	10	5		DEBERN
C[NH2+][C@@](C)(C[C@@H](C)Oc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000068658223	184496692	/nfs/dbraw/zinc/49/66/92/184496692.db2.gz	DKNYISXSMNDZPX-OQPBUACISA-N	0	0	316.741	2.468	10	5		DEBERN
C[NH2+][C@](C)(CCCOc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-]	ZINC000069508066	184520626	/nfs/dbraw/zinc/52/06/26/184520626.db2.gz	ZIGKFQNCTFYBEJ-CYBMUJFWSA-N	0	0	316.741	2.470	10	5		DEBERN
Cc1ccc(NC(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)cc1[N+](=O)[O-]	ZINC000119147849	194983103	/nfs/dbraw/zinc/98/31/03/194983103.db2.gz	FMIPDDSRPRZIBI-MNOVXSKESA-N	0	0	320.349	2.021	10	5		DEBERN
C[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H](C)CO1	ZINC000119861094	195051776	/nfs/dbraw/zinc/05/17/76/195051776.db2.gz	WKZQAGBYWHJMSN-NXEZZACHSA-N	0	0	303.318	2.326	10	5		DEBERN
C[C@H](CO)N(C)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000158798727	197302102	/nfs/dbraw/zinc/30/21/02/197302102.db2.gz	HJHWNJWSMUQSGI-ZCFIWIBFSA-N	0	0	307.119	2.313	10	5		DEBERN
O=[N+]([O-])c1ccc2[nH]c(N3CCC4(C3)CCOCC4)nc2c1	ZINC000278374394	285140328	/nfs/dbraw/zinc/14/03/28/285140328.db2.gz	DTAICNXSHWCLKV-UHFFFAOYSA-N	0	0	302.334	2.478	10	5		DEBERN
O=[N+]([O-])c1cnc2ccc(N3CCC4(CCOCC4)CC3)nn21	ZINC000376462356	285185359	/nfs/dbraw/zinc/18/53/59/285185359.db2.gz	PHPJYKYXCNAURM-UHFFFAOYSA-N	0	0	317.349	2.035	10	5		DEBERN
Cc1cc(Br)cn(Cc2ccc([N+](=O)[O-])o2)c1=O	ZINC000156944552	197151857	/nfs/dbraw/zinc/15/18/57/197151857.db2.gz	FTYSDIIYTZNHHA-UHFFFAOYSA-N	0	0	313.107	2.469	10	5		DEBERN
COc1cnccc1[C@@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-]	ZINC000189550097	533139862	/nfs/dbraw/zinc/13/98/62/533139862.db2.gz	IWJSIJNXVXVRMB-SECBINFHSA-N	0	0	316.317	2.072	10	5		DEBERN
CCCN(C1CC1)S(=O)(=O)c1cc([N+](=O)[O-])c(NC)s1	ZINC000125416142	195746346	/nfs/dbraw/zinc/74/63/46/195746346.db2.gz	PHHMCIJDFKFYST-UHFFFAOYSA-N	0	0	319.408	2.261	10	5		DEBERN
COc1cccc(C(=O)N2CC[C@@H](C)[C@@H](OC)C2)c1[N+](=O)[O-]	ZINC000192912835	533401599	/nfs/dbraw/zinc/40/15/99/533401599.db2.gz	ZOTOIADJYVNTOY-MFKMUULPSA-N	0	0	308.334	2.100	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(C[S@](C)=O)no1	ZINC000356961443	533405811	/nfs/dbraw/zinc/40/58/11/533405811.db2.gz	IONBMEPCRAMUPD-OEAKIKGJSA-N	0	0	307.331	2.417	10	5		DEBERN
Cc1cc(C(=O)N2CCN3CCCC[C@@H]3C2)ccc1[N+](=O)[O-]	ZINC000195077034	132544194	/nfs/dbraw/zinc/54/41/94/132544194.db2.gz	MIYYIEWRZHDOFA-CQSZACIVSA-N	0	0	303.362	2.214	10	5		DEBERN
Cc1cc(NCCc2cn[nH]c2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000357630787	133090094	/nfs/dbraw/zinc/09/00/94/133090094.db2.gz	QXOCYGZDQONSDK-UHFFFAOYSA-N	0	0	324.344	2.160	10	5		DEBERN
O=[N+]([O-])c1ccc(N2CCO[C@@H](COc3ccccc3)C2)nc1	ZINC000357743830	133096883	/nfs/dbraw/zinc/09/68/83/133096883.db2.gz	HSILMZMGGXDAOK-OAHLLOKOSA-N	0	0	315.329	2.274	10	5		DEBERN
Cc1ccc([C@H](C)NC(=O)NCCc2cn[nH]c2)cc1[N+](=O)[O-]	ZINC000357957496	133111965	/nfs/dbraw/zinc/11/19/65/133111965.db2.gz	LYZLIKCOROEPKS-NSHDSACASA-N	0	0	317.349	2.229	10	5		DEBERN
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](CO)C1CC1	ZINC000359775232	133143972	/nfs/dbraw/zinc/14/39/72/133143972.db2.gz	PUXATOUQPFVLRX-JQWIXIFHSA-N	0	0	324.402	2.210	10	5		DEBERN
CNC(=O)c1ccc(NCCOCC2CCC2)c([N+](=O)[O-])c1	ZINC000564649957	292103423	/nfs/dbraw/zinc/10/34/23/292103423.db2.gz	AVRIXTWETROQMC-UHFFFAOYSA-N	0	0	307.350	2.183	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NCCC[C@@H]1CCCCO1	ZINC000183422858	144928893	/nfs/dbraw/zinc/92/88/93/144928893.db2.gz	GYTAOGYACQBRMI-ZDUSSCGKSA-N	0	0	307.350	2.377	10	5		DEBERN
COc1cccc(N2CC[C@H](c3cnn(C)c3)C2)c1[N+](=O)[O-]	ZINC000185430868	144962320	/nfs/dbraw/zinc/96/23/20/144962320.db2.gz	KLGXMAGUSPHBGM-NSHDSACASA-N	0	0	302.334	2.331	10	5		DEBERN
C[N@H+](CCC(=O)[O-])CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000262681078	145299855	/nfs/dbraw/zinc/29/98/55/145299855.db2.gz	VYANOGTVIWUKHQ-UHFFFAOYSA-N	0	0	319.317	2.199	10	5		DEBERN
CCOc1ccc(-c2nc(-c3nccn3C)no2)cc1[N+](=O)[O-]	ZINC000356942636	147007162	/nfs/dbraw/zinc/00/71/62/147007162.db2.gz	AIFMWYFQDFSJTH-UHFFFAOYSA-N	0	0	315.289	2.444	10	5		DEBERN
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)CC(=O)OC	ZINC000360646715	147366128	/nfs/dbraw/zinc/36/61/28/147366128.db2.gz	LZYIFEJSLVXOGZ-CYBMUJFWSA-N	0	0	322.361	2.185	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCCCO1	ZINC000408286820	148584987	/nfs/dbraw/zinc/58/49/87/148584987.db2.gz	NFTZBZQFGPTSQO-UHFFFAOYSA-N	0	0	300.336	2.009	10	5		DEBERN
C[C@@H]1CN(C)C[C@H](C)N1C(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000127199876	401724347	/nfs/dbraw/zinc/72/43/47/401724347.db2.gz	GTZHFXXSCWTRHK-AOOOYVTPSA-N	0	0	311.769	2.413	10	5		DEBERN
Cc1cccc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)n1	ZINC000127426507	401734675	/nfs/dbraw/zinc/73/46/75/401734675.db2.gz	DWUHFZSDOJVKCQ-UHFFFAOYSA-N	0	0	313.360	2.185	10	5		DEBERN
Cc1sc(C(=O)NCC[S@@](=O)C(C)(C)C)cc1[N+](=O)[O-]	ZINC000112302607	401737357	/nfs/dbraw/zinc/73/73/57/401737357.db2.gz	SCHGVAJNCUDENI-FQEVSTJZSA-N	0	0	318.420	2.242	10	5		DEBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)c1ccc2c(c1)OCCCO2	ZINC000000084592	401687839	/nfs/dbraw/zinc/68/78/39/401687839.db2.gz	CPPZCSLIQJUUPB-UHFFFAOYSA-N	0	0	317.301	2.144	10	5		DEBERN
O=C(Nc1nc(-c2ccccn2)cs1)c1n[nH]cc1[N+](=O)[O-]	ZINC000126883113	401711895	/nfs/dbraw/zinc/71/18/95/401711895.db2.gz	BGHLARWSXFQTMZ-UHFFFAOYSA-N	0	0	316.302	2.089	10	5		DEBERN
COCCCOC1CN(c2ccc3ncccc3c2[N+](=O)[O-])C1	ZINC000128751227	401790399	/nfs/dbraw/zinc/79/03/99/401790399.db2.gz	YTADRJQOWBUBOC-UHFFFAOYSA-N	0	0	317.345	2.385	10	5		DEBERN
CCCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000030493611	401863471	/nfs/dbraw/zinc/86/34/71/401863471.db2.gz	LBVVZJXJITWDAB-UHFFFAOYSA-N	0	0	302.352	2.024	10	5		DEBERN
C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCO1	ZINC000117601139	401880157	/nfs/dbraw/zinc/88/01/57/401880157.db2.gz	VYLCSELFFWUKKC-ZANVPECISA-N	0	0	312.753	2.474	10	5		DEBERN
CC[C@@H](NC(=O)c1c[nH]c(=O)cc1C)c1cccc([N+](=O)[O-])c1	ZINC000133558290	401890605	/nfs/dbraw/zinc/89/06/05/401890605.db2.gz	IXYMYUALYDVWOW-CQSZACIVSA-N	0	0	315.329	2.473	10	5		DEBERN
C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(F)cc1[N+](=O)[O-]	ZINC000134351011	401902090	/nfs/dbraw/zinc/90/20/90/401902090.db2.gz	OFRZOSBFNSKYKL-ZYHUDNBSSA-N	0	0	307.325	2.043	10	5		DEBERN
O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@H](Oc2cccnc2)C1	ZINC000135700225	401951088	/nfs/dbraw/zinc/95/10/88/401951088.db2.gz	DASKMFNHEFKSLP-CYBMUJFWSA-N	0	0	313.313	2.283	10	5		DEBERN
O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCCC1CCCC1	ZINC000045075179	401954008	/nfs/dbraw/zinc/95/40/08/401954008.db2.gz	WWJQMXHFGRPSIX-UHFFFAOYSA-N	0	0	319.361	2.021	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2CCCC[C@H]21	ZINC000046488207	401970180	/nfs/dbraw/zinc/97/01/80/401970180.db2.gz	MJEPYGSGOCGPAN-ZIAGYGMSSA-N	0	0	305.334	2.082	10	5		DEBERN
CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000049730511	402021192	/nfs/dbraw/zinc/02/11/92/402021192.db2.gz	GPIBPUANBNMESE-MRVWCRGKSA-N	0	0	308.382	2.368	10	5		DEBERN
O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N(CCCCO)C1CC1	ZINC000121672442	402047934	/nfs/dbraw/zinc/04/79/34/402047934.db2.gz	MQWDNPATFWPWPS-UHFFFAOYSA-N	0	0	317.345	2.453	10	5		DEBERN
Cn1nccc1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1	ZINC000152176013	402080225	/nfs/dbraw/zinc/08/02/25/402080225.db2.gz	XKKOULBONHGBST-OAHLLOKOSA-N	0	0	300.362	2.439	10	5		DEBERN
COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC([C@@H](C)O)CC1	ZINC000123034868	402107126	/nfs/dbraw/zinc/10/71/26/402107126.db2.gz	QTJGCBSHVJEBQA-SNVBAGLBSA-N	0	0	323.349	2.228	10	5		DEBERN
C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccnc1	ZINC000066327421	402131062	/nfs/dbraw/zinc/13/10/62/402131062.db2.gz	FVFAIGUWXFKOOC-QMMMGPOBSA-N	0	0	313.360	2.091	10	5		DEBERN
Cc1sc(C(=O)N2CCN(C)C[C@H]2C(C)C)cc1[N+](=O)[O-]	ZINC000154040681	402188518	/nfs/dbraw/zinc/18/85/18/402188518.db2.gz	TURZOPSRBAEPGP-LBPRGKRZSA-N	0	0	311.407	2.377	10	5		DEBERN
CCc1nc(CNC(=O)Nc2ccncc2[N+](=O)[O-])cs1	ZINC000124637979	402189165	/nfs/dbraw/zinc/18/91/65/402189165.db2.gz	NTAFLITZMKDPFE-UHFFFAOYSA-N	0	0	307.335	2.330	10	5		DEBERN
O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC(c2cc[nH]n2)CC1	ZINC000125281014	402223695	/nfs/dbraw/zinc/22/36/95/402223695.db2.gz	XJTHMZXFGOFIAH-UHFFFAOYSA-N	0	0	314.345	2.267	10	5		DEBERN
COC(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000068768352	402205121	/nfs/dbraw/zinc/20/51/21/402205121.db2.gz	GKYRLIRERPGJNO-UHFFFAOYSA-N	0	0	314.297	2.311	10	5		DEBERN
O=C(c1cccc([N+](=O)[O-])c1)N1CCC(c2cc[nH]n2)CC1	ZINC000125078179	402211934	/nfs/dbraw/zinc/21/19/34/402211934.db2.gz	MUFPMUGBCIFVFS-UHFFFAOYSA-N	0	0	300.318	2.338	10	5		DEBERN
CC(C)C[C@@H](CO)N(C)C(=O)CCc1cccc([N+](=O)[O-])c1	ZINC000184622450	402285567	/nfs/dbraw/zinc/28/55/67/402285567.db2.gz	RTPTZDWZPODZMR-HNNXBMFYSA-N	0	0	308.378	2.393	10	5		DEBERN
CC1(CNC(=O)NCCNc2ccccc2[N+](=O)[O-])CCC1	ZINC000176633042	402325161	/nfs/dbraw/zinc/32/51/61/402325161.db2.gz	QFHQABDBZJBAEU-UHFFFAOYSA-N	0	0	306.366	2.496	10	5		DEBERN
Cc1c(NC(=O)C(=O)NCC2(C)CCC2)cccc1[N+](=O)[O-]	ZINC000176340390	402300919	/nfs/dbraw/zinc/30/09/19/402300919.db2.gz	FSAANSLWTHVNEX-UHFFFAOYSA-N	0	0	305.334	2.148	10	5		DEBERN
C/C=C/C[C@@H](CO)Nc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1	ZINC000184808920	402301324	/nfs/dbraw/zinc/30/13/24/402301324.db2.gz	XBZYLOMJUKLCLR-ZWNMCFTASA-N	0	0	308.334	2.429	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCc2nc[nH]c2C1	ZINC000220541725	402302173	/nfs/dbraw/zinc/30/21/73/402302173.db2.gz	NYXADKGGPMXFBY-JTQLQIEISA-N	0	0	300.318	2.370	10	5		DEBERN
CCOC(=O)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000160489111	402347358	/nfs/dbraw/zinc/34/73/58/402347358.db2.gz	OCUXPXMEDZVETN-SSDOTTSWSA-N	0	0	300.336	2.036	10	5		DEBERN
CC(=O)N[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C1	ZINC000162856083	402433954	/nfs/dbraw/zinc/43/39/54/402433954.db2.gz	GIDNSWNGHZXZDN-LBPRGKRZSA-N	0	0	320.349	2.036	10	5		DEBERN
CC[C@H](NC(=O)c1c[nH]c(C)cc1=O)c1cccc([N+](=O)[O-])c1	ZINC000177788695	402436112	/nfs/dbraw/zinc/43/61/12/402436112.db2.gz	VLCYNZBXAAYQKJ-AWEZNQCLSA-N	0	0	315.329	2.473	10	5		DEBERN
CC[C@@H](NC(=O)[C@@H]1CC(=O)N(CC)C1)c1cccc([N+](=O)[O-])c1	ZINC000177786512	402436151	/nfs/dbraw/zinc/43/61/51/402436151.db2.gz	NMIVKQRFFGIPGI-TZMCWYRMSA-N	0	0	319.361	2.031	10	5		DEBERN
CC1(CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCC1	ZINC000164304086	402461053	/nfs/dbraw/zinc/46/10/53/402461053.db2.gz	RJEJSBSVZJBHSF-UHFFFAOYSA-N	0	0	312.391	2.247	10	5		DEBERN
CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@@H](C)C1	ZINC000245696261	402480185	/nfs/dbraw/zinc/48/01/85/402480185.db2.gz	LAURDKJOGNTFPJ-SMDDNHRTSA-N	0	0	321.377	2.103	10	5		DEBERN
O=C(N[C@H]1CCCOC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1	ZINC000178383242	402492357	/nfs/dbraw/zinc/49/23/57/402492357.db2.gz	KMCAVBPCWSTPGN-ZDUSSCGKSA-N	0	0	319.361	2.448	10	5		DEBERN
O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCOC1	ZINC000170936446	402543018	/nfs/dbraw/zinc/54/30/18/402543018.db2.gz	RTSSDLJIDYGGOH-ZDUSSCGKSA-N	0	0	307.350	2.082	10	5		DEBERN
COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1csc([N+](=O)[O-])c1	ZINC000189862760	402563326	/nfs/dbraw/zinc/56/33/26/402563326.db2.gz	FAMCDISKKQMPSZ-QRTLGDNMSA-N	0	0	324.358	2.070	10	5		DEBERN
Cc1csc([C@@H]2COCCN2c2ncccc2[N+](=O)[O-])n1	ZINC000189135559	402531264	/nfs/dbraw/zinc/53/12/64/402531264.db2.gz	OCAGIWNKFYCJBA-NSHDSACASA-N	0	0	306.347	2.333	10	5		DEBERN
CCOCCOCCN(C)c1ncc([N+](=O)[O-])cc1Cl	ZINC000190258967	402588563	/nfs/dbraw/zinc/58/85/63/402588563.db2.gz	UZIOCZOSWXRNRS-UHFFFAOYSA-N	0	0	303.746	2.133	10	5		DEBERN
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[C@@H](O)C1CCCCC1	ZINC000191265546	402655522	/nfs/dbraw/zinc/65/55/22/402655522.db2.gz	ZQYUBOYYVZOGJT-CQSZACIVSA-N	0	0	318.329	2.132	10	5		DEBERN
CC(C)[C@@H](C)CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000172446714	402656340	/nfs/dbraw/zinc/65/63/40/402656340.db2.gz	YKHJGTUMYQTYDQ-NSHDSACASA-N	0	0	317.349	2.197	10	5		DEBERN
COC[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccco1	ZINC000173771324	402711612	/nfs/dbraw/zinc/71/16/12/402711612.db2.gz	SAICDZGZFPROJN-GFCCVEGCSA-N	0	0	305.290	2.009	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc([S@@](C)=O)cc1	ZINC000173877779	402717107	/nfs/dbraw/zinc/71/71/07/402717107.db2.gz	FIAAIPHTCIPUFA-JOCHJYFZSA-N	0	0	319.342	2.288	10	5		DEBERN
CC(C)[C@@H](C)CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21	ZINC000172578482	402663711	/nfs/dbraw/zinc/66/37/11/402663711.db2.gz	DPEIAHOXCYPXFF-JTQLQIEISA-N	0	0	317.345	2.458	10	5		DEBERN
CC(=O)N[C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1	ZINC000255106138	402678852	/nfs/dbraw/zinc/67/88/52/402678852.db2.gz	XPXNLUSZSBIASA-IJVDHGTGSA-N	0	0	303.362	2.209	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCc3c2cccc3C)n1	ZINC000191580964	402679835	/nfs/dbraw/zinc/67/98/35/402679835.db2.gz	SNQJSLCSUQJHGP-UHFFFAOYSA-N	0	0	300.318	2.323	10	5		DEBERN
CC[C@@H](NC(=O)N[C@H](C)c1nc[nH]n1)c1cccc([N+](=O)[O-])c1	ZINC000183213814	402747434	/nfs/dbraw/zinc/74/74/34/402747434.db2.gz	YOYNIQOWRSKPEY-BXKDBHETSA-N	0	0	318.337	2.224	10	5		DEBERN
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)C2CC2)c1	ZINC000183475889	402770837	/nfs/dbraw/zinc/77/08/37/402770837.db2.gz	ZASJSUVSNXZYQD-UHFFFAOYSA-N	0	0	304.755	2.340	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(-n2cncn2)nc1	ZINC000195256832	402839277	/nfs/dbraw/zinc/83/92/77/402839277.db2.gz	XQLRIPLONAISRJ-UHFFFAOYSA-N	0	0	324.300	2.131	10	5		DEBERN
Cc1nn(C)c(N[C@H]2CCN(c3ccccc3)C2)c1[N+](=O)[O-]	ZINC000264405563	402875312	/nfs/dbraw/zinc/87/53/12/402875312.db2.gz	NENMDLJCLWRSKS-LBPRGKRZSA-N	0	0	301.350	2.328	10	5		DEBERN
CCn1cnnc1[C@H]1CCCN(c2cc(C)c([N+](=O)[O-])cn2)C1	ZINC000266830013	402994686	/nfs/dbraw/zinc/99/46/86/402994686.db2.gz	HCAXLFORKROFMM-LBPRGKRZSA-N	0	0	316.365	2.294	10	5		DEBERN
COC(=O)c1cc(N2CCC[C@](C)(O)C2)cc(C)c1[N+](=O)[O-]	ZINC000271008898	403253295	/nfs/dbraw/zinc/25/32/95/403253295.db2.gz	XNRHJGVQQODTNG-HNNXBMFYSA-N	0	0	308.334	2.041	10	5		DEBERN
CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(CC(F)F)CC1	ZINC000286317217	403498470	/nfs/dbraw/zinc/49/84/70/403498470.db2.gz	PVMCFWZGTDWAMA-UHFFFAOYSA-N	0	0	313.304	2.185	10	5		DEBERN
CSC[C@@H](C)N(C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000301348145	403618446	/nfs/dbraw/zinc/61/84/46/403618446.db2.gz	UGSUYPWISWHDQD-SECBINFHSA-N	0	0	318.420	2.186	10	5		DEBERN
Cn1ncnc1CNc1cc(Br)ccc1[N+](=O)[O-]	ZINC000301663227	403660830	/nfs/dbraw/zinc/66/08/30/403660830.db2.gz	KKNWGYGXKUJJCJ-UHFFFAOYSA-N	0	0	312.127	2.098	10	5		DEBERN
Cc1cc(N[C@@H](C)c2nnc3n2CCCC3)ncc1[N+](=O)[O-]	ZINC000301710223	403668226	/nfs/dbraw/zinc/66/82/26/403668226.db2.gz	JWMLHIAFBHHJSR-JTQLQIEISA-N	0	0	302.338	2.399	10	5		DEBERN
CNC(=O)[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)C(C)C	ZINC000301796129	403680561	/nfs/dbraw/zinc/68/05/61/403680561.db2.gz	SYEUFDXNWPOCEV-AWEZNQCLSA-N	0	0	302.334	2.326	10	5		DEBERN
CNC(=O)[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)C(C)C	ZINC000301796130	403680766	/nfs/dbraw/zinc/68/07/66/403680766.db2.gz	SYEUFDXNWPOCEV-CQSZACIVSA-N	0	0	302.334	2.326	10	5		DEBERN
C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCS(=O)(=O)[C@@H](C)C1	ZINC000347381893	403687403	/nfs/dbraw/zinc/68/74/03/403687403.db2.gz	XAYDAZQIFUHGGL-RPHSKFLZSA-N	0	0	324.402	2.117	10	5		DEBERN
CC(=O)N(C)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])n1C	ZINC000344917347	404445102	/nfs/dbraw/zinc/44/51/02/404445102.db2.gz	VNTRYDVKJWAYOV-UHFFFAOYSA-N	0	0	316.317	2.168	10	5		DEBERN
O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCCC23CCC3)c1	ZINC000365532537	404685245	/nfs/dbraw/zinc/68/52/45/404685245.db2.gz	JHDHENFJEDIPSF-UHFFFAOYSA-N	0	0	310.375	2.443	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])cc1)N1CC(O)(c2ccc(F)cc2)C1	ZINC000375775306	404744130	/nfs/dbraw/zinc/74/41/30/404744130.db2.gz	DEKJIMBJTQYYAX-UHFFFAOYSA-N	0	0	316.288	2.078	10	5		DEBERN
CO[C@@]1(C)CCCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1	ZINC000377214118	404834364	/nfs/dbraw/zinc/83/43/64/404834364.db2.gz	KWWKRZUVETUIOV-AWEZNQCLSA-N	0	0	305.338	2.033	10	5		DEBERN
C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000407990898	405084915	/nfs/dbraw/zinc/08/49/15/405084915.db2.gz	QXYXMMJPSMDHFX-JSGCOSHPSA-N	0	0	305.378	2.359	10	5		DEBERN
C/C=C/C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC	ZINC000361540497	405121743	/nfs/dbraw/zinc/12/17/43/405121743.db2.gz	ZHJMGNGKNFFAIJ-LYKUJDHUSA-N	0	0	320.345	2.151	10	5		DEBERN
Cc1sc(C(=O)N2CCN(C3CCC3)CC2)cc1[N+](=O)[O-]	ZINC000408148331	405123320	/nfs/dbraw/zinc/12/33/20/405123320.db2.gz	BOLHMRURQVHENQ-UHFFFAOYSA-N	0	0	309.391	2.275	10	5		DEBERN
Cc1ccc(S(=O)(=O)N2CCCCCO2)cc1[N+](=O)[O-]	ZINC000408288700	405163065	/nfs/dbraw/zinc/16/30/65/405163065.db2.gz	ZPLYLPXCEGCCCV-UHFFFAOYSA-N	0	0	300.336	2.009	10	5		DEBERN
CCOc1ccc(C(=O)N2CC[C@@](C)(COC)C2)cc1[N+](=O)[O-]	ZINC000452804931	405246175	/nfs/dbraw/zinc/24/61/75/405246175.db2.gz	ZZUYRKLOEGDUEV-MRXNPFEDSA-N	0	0	322.361	2.492	10	5		DEBERN
C[C@@H]1C[C@H]1CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1	ZINC000448700378	405438302	/nfs/dbraw/zinc/43/83/02/405438302.db2.gz	OYXGHSFGHXNTMG-KOLCDFICSA-N	0	0	300.318	2.371	10	5		DEBERN
CN1CCO[C@H](CN(CC2CC2)c2ccc(F)cc2[N+](=O)[O-])C1	ZINC000571057671	406473873	/nfs/dbraw/zinc/47/38/73/406473873.db2.gz	CATGIYGRCDDHHE-AWEZNQCLSA-N	0	0	323.368	2.281	10	5		DEBERN
NC(=O)c1cc(OC(F)F)c(Br)c([N+](=O)[O-])c1	ZINC000575682983	406818015	/nfs/dbraw/zinc/81/80/15/406818015.db2.gz	JBTKBULKUXDFQA-UHFFFAOYSA-N	0	0	311.038	2.058	10	5		DEBERN
NC(=O)c1cc(Br)c(OC(F)F)cc1[N+](=O)[O-]	ZINC000575683541	406818099	/nfs/dbraw/zinc/81/80/99/406818099.db2.gz	QLJDWIJXQAQSKF-UHFFFAOYSA-N	0	0	311.038	2.058	10	5		DEBERN
CCOc1c(C=O)cc(I)cc1[N+](=O)[O-]	ZINC000575697830	406819624	/nfs/dbraw/zinc/81/96/24/406819624.db2.gz	NRESLWYRJJHTTD-UHFFFAOYSA-N	0	0	321.070	2.411	10	5		DEBERN
COC(=O)c1c(I)cc(C)cc1[N+](=O)[O-]	ZINC000575714625	406822772	/nfs/dbraw/zinc/82/27/72/406822772.db2.gz	LQRZCUJXWHWDRA-UHFFFAOYSA-N	0	0	321.070	2.294	10	5		DEBERN
CC[C@@H]1CCCCN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000067949448	287017975	/nfs/dbraw/zinc/01/79/75/287017975.db2.gz	USMUYZPNRJTCGV-SNVBAGLBSA-N	0	0	313.379	2.011	10	5		DEBERN
Cc1nn(C(C)C)c(N[C@@H](C)CC[S@@](C)=O)c1[N+](=O)[O-]	ZINC000128834234	195995785	/nfs/dbraw/zinc/99/57/85/195995785.db2.gz	FSMUDNFAQUUNPP-LXGOIASLSA-N	0	0	302.400	2.250	10	5		DEBERN
CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1)C(C)C	ZINC000131200963	196149088	/nfs/dbraw/zinc/14/90/88/196149088.db2.gz	LDQPCBSWKXEMQI-LLVKDONJSA-N	0	0	304.343	2.447	10	5		DEBERN
CCCN(CCC)S(=O)(=O)c1ccc([N+](=O)[O-])c(NC)c1	ZINC000131767168	196197498	/nfs/dbraw/zinc/19/74/98/196197498.db2.gz	XZEIGPSSYSJFJO-UHFFFAOYSA-N	0	0	315.395	2.447	10	5		DEBERN
CNc1cc(S(=O)(=O)N(C)[C@H](C)C(C)C)ccc1[N+](=O)[O-]	ZINC000131961895	196214301	/nfs/dbraw/zinc/21/43/01/196214301.db2.gz	NUTWTUDSSQDKAD-SNVBAGLBSA-N	0	0	315.395	2.302	10	5		DEBERN
C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)C1	ZINC000131988007	196216661	/nfs/dbraw/zinc/21/66/61/196216661.db2.gz	RKWSFVALCFJZTM-BDAKNGLRSA-N	0	0	302.327	2.201	10	5		DEBERN
Nc1c([N+](=O)[O-])cnn1Cc1sccc1Br	ZINC000132156564	196231926	/nfs/dbraw/zinc/23/19/26/196231926.db2.gz	GOGNQELAYTZMBT-UHFFFAOYSA-N	0	0	303.141	2.246	10	5		DEBERN
CC(C)C[C@@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1	ZINC000132334933	196247258	/nfs/dbraw/zinc/24/72/58/196247258.db2.gz	VLVWZDPCYWAYLB-SNVBAGLBSA-N	0	0	315.395	2.232	10	5		DEBERN
CNc1cc(S(=O)(=O)N2CCCC2(C)C)ccc1[N+](=O)[O-]	ZINC000132569411	196266854	/nfs/dbraw/zinc/26/68/54/196266854.db2.gz	VNRUBQIKRZBFJT-UHFFFAOYSA-N	0	0	313.379	2.200	10	5		DEBERN
COC(=O)CCCCCNC(=O)c1ccc(F)cc1[N+](=O)[O-]	ZINC000132655277	196273342	/nfs/dbraw/zinc/27/33/42/196273342.db2.gz	NARCIALPNCXDDV-UHFFFAOYSA-N	0	0	312.297	2.197	10	5		DEBERN
CC[C@H](C)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1	ZINC000132858753	196291114	/nfs/dbraw/zinc/29/11/14/196291114.db2.gz	IVVHXFAZFSRYKE-UWVGGRQHSA-N	0	0	315.395	2.280	10	5		DEBERN
C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl)[S@@](C)=O	ZINC000134012912	196352933	/nfs/dbraw/zinc/35/29/33/196352933.db2.gz	MTOGMYZPSQWEQZ-FHZGZLOMSA-N	0	0	318.782	2.135	10	5		DEBERN
COc1cc(S(=O)(=O)N[C@H](C)C(C)(C)C)ccc1[N+](=O)[O-]	ZINC000150813985	196588219	/nfs/dbraw/zinc/58/82/19/196588219.db2.gz	HWWDLLPREVSHGM-SECBINFHSA-N	0	0	316.379	2.316	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(OC)ccc2F)n1	ZINC000191664562	225115476	/nfs/dbraw/zinc/11/54/76/225115476.db2.gz	MMIDXKJLFVWACF-UHFFFAOYSA-N	0	0	308.269	2.211	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCS[C@H](C(C)C)C2)n1	ZINC000191830347	225117354	/nfs/dbraw/zinc/11/73/54/225117354.db2.gz	QTPXLYRTYBCKHI-NSHDSACASA-N	0	0	312.395	2.025	10	5		DEBERN
O=[N+]([O-])c1cnc(N2CCC(c3noc(C4CC4)n3)CC2)nc1	ZINC000302186035	230149369	/nfs/dbraw/zinc/14/93/69/230149369.db2.gz	UYXRWICHRLGHMR-UHFFFAOYSA-N	0	0	316.321	2.029	10	5		DEBERN
COC(=O)c1cc(NC(=O)c2ccn(C)c2C)cc([N+](=O)[O-])c1	ZINC000195270314	424881594	/nfs/dbraw/zinc/88/15/94/424881594.db2.gz	QZSVOXZNEKKWJH-UHFFFAOYSA-N	0	0	317.301	2.281	10	5		DEBERN
CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1	ZINC000195322421	424882177	/nfs/dbraw/zinc/88/21/77/424882177.db2.gz	NRVSKWHYYFHMAI-LLVKDONJSA-N	0	0	321.402	2.237	10	5		DEBERN
O=C(NC(=O)c1ccnc([N+](=O)[O-])c1)c1ccc(Cl)cc1	ZINC000199599828	424883995	/nfs/dbraw/zinc/88/39/95/424883995.db2.gz	ISLYYBIXNOZNMB-UHFFFAOYSA-N	0	0	305.677	2.213	10	5		DEBERN
CN(Cc1ccc(N)nc1)c1ncnc2sc([N+](=O)[O-])cc21	ZINC000342853859	424968900	/nfs/dbraw/zinc/96/89/00/424968900.db2.gz	SURVEODQFXVNPQ-UHFFFAOYSA-N	0	0	316.346	2.213	10	5		DEBERN
CC(C)c1csc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)n1	ZINC000178393779	267577144	/nfs/dbraw/zinc/57/71/44/267577144.db2.gz	CEHSLKOYNMVVHE-UHFFFAOYSA-N	0	0	324.366	2.193	10	5		DEBERN
C[C@H]1[C@@H](C(F)(F)F)CCN1c1ccc2ncc([N+](=O)[O-])n2n1	ZINC000359857755	278534206	/nfs/dbraw/zinc/53/42/06/278534206.db2.gz	QOWOGYUHOZASBT-YUMQZZPRSA-N	0	0	315.255	2.415	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCSc2ncccc21	ZINC000173305019	279158224	/nfs/dbraw/zinc/15/82/24/279158224.db2.gz	IJMMVMSYQKKXFH-UHFFFAOYSA-N	0	0	316.342	2.446	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]2COCC[C@@H]21	ZINC000408001384	280191586	/nfs/dbraw/zinc/19/15/86/280191586.db2.gz	PLBQBPWHCQMQTB-HZMBPMFUSA-N	0	0	308.309	2.375	10	5		DEBERN
C[C@H]1CCN(c2cc(CO)ccc2[N+](=O)[O-])C[C@@H]1n1ccnc1	ZINC000302068602	290590058	/nfs/dbraw/zinc/59/00/58/290590058.db2.gz	VAGINPQEEJHXPS-LRDDRELGSA-N	0	0	316.361	2.371	10	5		DEBERN
C[C@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CC[S@@](=O)C1	ZINC000292088977	300295626	/nfs/dbraw/zinc/29/56/26/300295626.db2.gz	YNBYKZNUCLTWAY-KPWVOAKYSA-N	0	0	319.386	2.348	10	5		DEBERN
Cc1cc(C(=O)N2CCCC[C@H]2c2nc[nH]n2)cc([N+](=O)[O-])c1	ZINC000181385440	301093045	/nfs/dbraw/zinc/09/30/45/301093045.db2.gz	OZHKHFVQDAUGDD-ZDUSSCGKSA-N	0	0	315.333	2.389	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](C)O[C@@]3(CCCOC3)C2)n1	ZINC000408340238	301205424	/nfs/dbraw/zinc/20/54/24/301205424.db2.gz	USCBMCWZHSXJQN-CJNGLKHVSA-N	0	0	321.377	2.381	10	5		DEBERN
Cn1cnc([N+](=O)[O-])c1N1CCC[C@@]2(C1)OCc1ccccc12	ZINC000408335433	303020565	/nfs/dbraw/zinc/02/05/65/303020565.db2.gz	UYULBBLZBFHDFC-INIZCTEOSA-N	0	0	314.345	2.354	10	5		DEBERN
CCN1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1=O	ZINC000190551919	500593377	/nfs/dbraw/zinc/59/33/77/500593377.db2.gz	JZKYVHYGWAITOI-UHFFFAOYSA-N	0	0	319.361	2.154	10	5		DEBERN
CC(=O)c1ccc(Oc2cncc(C(N)=O)c2)c([N+](=O)[O-])c1	ZINC000302052509	527330270	/nfs/dbraw/zinc/33/02/70/527330270.db2.gz	PDLJVTMAJBWDMR-UHFFFAOYSA-N	0	0	301.258	2.084	10	5		DEBERN
CCCC(=O)N[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000299667922	527952371	/nfs/dbraw/zinc/95/23/71/527952371.db2.gz	MRADBNOACIABIB-ZDUSSCGKSA-N	0	0	319.361	2.116	10	5		DEBERN
CCOC(=O)c1cc(NC[C@@H](CO)C2CC2)ccc1[N+](=O)[O-]	ZINC000357813642	535681527	/nfs/dbraw/zinc/68/15/27/535681527.db2.gz	TUCDGVQBGJYKHF-NSHDSACASA-N	0	0	308.334	2.202	10	5		DEBERN
CCOC(=O)C(C)(C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000066530833	625124745	/nfs/dbraw/zinc/12/47/45/625124745.db2.gz	JINZKNSWEGNTGY-UHFFFAOYSA-N	0	0	314.725	2.320	10	5		DEBERN
COC(=O)/C(C)=C\COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	ZINC000748162403	638518845	/nfs/dbraw/zinc/51/88/45/638518845.db2.gz	FEUYNMVEVDNZHU-PAUBHIBZSA-N	0	0	305.286	2.271	10	5		DEBERN
O=[N+]([O-])c1ccc(NC[C@H](CO)c2ccccc2)c2nonc21	ZINC000749285485	638632100	/nfs/dbraw/zinc/63/21/00/638632100.db2.gz	FYCGESMEECGOLD-LLVKDONJSA-N	0	0	314.301	2.319	10	5		DEBERN
C/C(=C/C(=O)NCCc1ncc[nH]1)c1ccc([N+](=O)[O-])cc1	ZINC000752239289	639166337	/nfs/dbraw/zinc/16/63/37/639166337.db2.gz	GVXQKEOVZWCXNL-KHPPLWFESA-N	0	0	300.318	2.080	10	5		DEBERN
C/C(=C/C(=O)O[C@@H](C(N)=O)C(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000752356331	639174565	/nfs/dbraw/zinc/17/45/65/639174565.db2.gz	UOQJZRNXINDZIP-QQBNSCQMSA-N	0	0	306.318	2.051	10	5		DEBERN
C/C(=C/C(=O)N1CC[C@H]([C@@H](C)O)C1)c1ccc([N+](=O)[O-])cc1	ZINC000752771889	639218577	/nfs/dbraw/zinc/21/85/77/639218577.db2.gz	MOJHFRCBDCJFOL-KRFXKNSESA-N	0	0	304.346	2.227	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](CO)C(C)C	ZINC000805311544	640813525	/nfs/dbraw/zinc/81/35/25/640813525.db2.gz	XGYIKWKYQCRNKQ-BCNIOPEESA-N	0	0	306.362	2.379	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C)c1nncn1C	ZINC000805530027	641990170	/nfs/dbraw/zinc/99/01/70/641990170.db2.gz	AYTLZFNMIAKXGX-UQSGXBNBSA-N	0	0	316.317	2.431	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H]1CC(=O)N(C)[C@@H]1C	ZINC000806068588	644495973	/nfs/dbraw/zinc/49/59/73/644495973.db2.gz	MXJKQAZDNIKEQE-KCSRWMALSA-N	0	0	318.329	2.161	10	5		DEBERN
C[C@@H](C(=O)N1CCO[C@H](C(F)F)C1)c1cccc([N+](=O)[O-])c1	ZINC000801009664	645329999	/nfs/dbraw/zinc/32/99/99/645329999.db2.gz	RIAMGEZGQBUATF-SKDRFNHKSA-N	0	0	314.288	2.191	10	5		DEBERN
COc1cc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)ccc1O	ZINC000801981156	645472356	/nfs/dbraw/zinc/47/23/56/645472356.db2.gz	JIFSRZWSHCAKRM-UHFFFAOYSA-N	0	0	321.264	2.283	10	5		DEBERN
O=C(Cn1cnc([N+](=O)[O-])n1)O[C@@H]1CCc2cc(Cl)ccc21	ZINC000803293211	645632448	/nfs/dbraw/zinc/63/24/48/645632448.db2.gz	HUZRJMHUZFIRJJ-LLVKDONJSA-N	0	0	322.708	2.070	10	5		DEBERN
Cc1nc([N+](=O)[O-])cn1CCC(=O)OC[C@H]1Cc2ccccc21	ZINC000803320636	645634196	/nfs/dbraw/zinc/63/41/96/645634196.db2.gz	XCEAADBOCGULDX-CYBMUJFWSA-N	0	0	315.329	2.373	10	5		DEBERN
COC(=O)c1cc(C)nc(Oc2ccc(F)nc2)c1[N+](=O)[O-]	ZINC000804564215	645790253	/nfs/dbraw/zinc/79/02/53/645790253.db2.gz	PFFBADKCOAYUHA-UHFFFAOYSA-N	0	0	307.237	2.411	10	5		DEBERN
C[C@@H](OC(=O)COc1cccc([N+](=O)[O-])c1)C1CCOCC1	ZINC000151458086	646387710	/nfs/dbraw/zinc/38/77/10/646387710.db2.gz	HQYGFCCMBHHJLP-LLVKDONJSA-N	0	0	309.318	2.332	10	5		DEBERN
CCO[C@@H]1C[C@H](N(C)Cn2cc([N+](=O)[O-])cn2)C12CCCC2	ZINC000156505075	646430072	/nfs/dbraw/zinc/43/00/72/646430072.db2.gz	LXEQGOQBZOPRBF-UONOGXRCSA-N	0	0	308.382	2.418	10	5		DEBERN
CC(C)[C@H](C)CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-]	ZINC000172581002	646744088	/nfs/dbraw/zinc/74/40/88/646744088.db2.gz	IIXZIRMJVRKNEV-LLVKDONJSA-N	0	0	308.334	2.194	10	5		DEBERN
COc1cccc([C@H](C)OC(=O)Cn2cc([N+](=O)[O-])cn2)c1	ZINC000174858511	648055808	/nfs/dbraw/zinc/05/58/08/648055808.db2.gz	JYQKZNZBMQAQFC-JTQLQIEISA-N	0	0	305.290	2.104	10	5		DEBERN
CN(CCOC(=O)C1=COCCC1)c1ccc([N+](=O)[O-])cc1	ZINC000076903054	683947447	/nfs/dbraw/zinc/94/74/47/683947447.db2.gz	UMWXONMDBLYXPH-UHFFFAOYSA-N	0	0	306.318	2.269	10	5		DEBERN
C[C@@H]1CC[C@@H](C(=O)OCCN(C)c2ccc([N+](=O)[O-])cc2)O1	ZINC000123651694	684126935	/nfs/dbraw/zinc/12/69/35/684126935.db2.gz	FXFDHEIDUXZGCD-RISCZKNCSA-N	0	0	308.334	2.142	10	5		DEBERN
O=[N+]([O-])c1cnc(N[C@@H]2CC23CC(O)C3)c(Br)c1	ZINC000724911259	777517718	/nfs/dbraw/zinc/51/77/18/777517718.db2.gz	QHJIHMCAPGMJBT-PUDKOPFASA-N	0	0	314.139	2.078	10	5		DEBERN
C[C@@H](Cn1cccn1)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000038103168	1078217309	/nfs/dbraw/zinc/21/73/09/1078217309.db2.gz	ADGSILOTPHCFLQ-VIFPVBQESA-N	0	0	308.725	2.263	10	5		DEBERN
Cc1ccc([C@H](C)OC(=O)[C@@H]2CCN(C)C(=O)C2)cc1[N+](=O)[O-]	ZINC000084808363	1082157301	/nfs/dbraw/zinc/15/73/01/1082157301.db2.gz	PZVOTMVHKVLHJN-WCQYABFASA-N	0	0	320.345	2.376	10	5		DEBERN
CO[C@]1(CNc2ccc([N+](=O)[O-])c(N)c2F)CCSC1	ZINC000719259655	1088914384	/nfs/dbraw/zinc/91/43/84/1088914384.db2.gz	NGCVJTJAMWWKGT-LBPRGKRZSA-N	0	0	301.343	2.250	10	5		DEBERN
O=C(c1cccnc1C1CC1)N1CCc2ncc([N+](=O)[O-])cc2C1	ZINC000612315873	361790871	/nfs/dbraw/zinc/79/08/71/361790871.db2.gz	FBKQHFXDXIZCBL-UHFFFAOYSA-N	0	0	324.340	2.461	10	5		DEBERN
CSC[C@](C)(O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000077105169	185108742	/nfs/dbraw/zinc/10/87/42/185108742.db2.gz	NAUULBGTEJSSBD-GFCCVEGCSA-N	0	0	318.782	2.092	10	5		DEBERN
CNc1cc(S(=O)(=O)N2C[C@H](C)C[C@@H]2C)ccc1[N+](=O)[O-]	ZINC000165095257	197669264	/nfs/dbraw/zinc/66/92/64/197669264.db2.gz	ABCQFOGOTRSTQH-ZJUUUORDSA-N	0	0	313.379	2.056	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C	ZINC000153717354	282173366	/nfs/dbraw/zinc/17/33/66/282173366.db2.gz	UOTNWTYMNHCAOG-HNNXBMFYSA-N	0	0	305.378	2.315	10	5		DEBERN
O=C1NCCC[C@H]1Nc1cc(Br)ccc1[N+](=O)[O-]	ZINC000087834441	185232703	/nfs/dbraw/zinc/23/27/03/185232703.db2.gz	WSRUQUQLLSSCKL-MRVPVSSYSA-N	0	0	314.139	2.048	10	5		DEBERN
CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000088198101	185241776	/nfs/dbraw/zinc/24/17/76/185241776.db2.gz	LRHAJXPDRUSKRP-GFCCVEGCSA-N	0	0	315.333	2.014	10	5		DEBERN
O=[N+]([O-])c1cc(-c2c[nH]c([C@@H]3COCCN3)n2)ccc1Cl	ZINC000088373061	185247413	/nfs/dbraw/zinc/24/74/13/185247413.db2.gz	QVFMLXQIWGNWOW-NSHDSACASA-N	0	0	308.725	2.299	10	5		DEBERN
CCC[C@H](N[C@H]1C=CS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1	ZINC000088854532	185267332	/nfs/dbraw/zinc/26/73/32/185267332.db2.gz	IWCWTBDZKYJQMG-JSGCOSHPSA-N	0	0	310.375	2.336	10	5		DEBERN
COC(=O)C[C@@H](C)SCc1nc2ccccn2c1[N+](=O)[O-]	ZINC000090099667	185281930	/nfs/dbraw/zinc/28/19/30/185281930.db2.gz	SWXCIXSAELYXBI-SECBINFHSA-N	0	0	309.347	2.427	10	5		DEBERN
CCOC(=O)c1ccnc(NCCOCC2CCC2)c1[N+](=O)[O-]	ZINC000613184838	362031477	/nfs/dbraw/zinc/03/14/77/362031477.db2.gz	BIYYJVWYHISZJM-UHFFFAOYSA-N	0	0	323.349	2.395	10	5		DEBERN
O=[N+]([O-])c1ccc(OC[C@@H](O)C(F)(F)F)c2cccnc21	ZINC000184581625	282255088	/nfs/dbraw/zinc/25/50/88/282255088.db2.gz	MITFHYQUOSLVCN-SNVBAGLBSA-N	0	0	302.208	2.445	10	5		DEBERN
CCN(CC(F)F)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000186448777	282276528	/nfs/dbraw/zinc/27/65/28/282276528.db2.gz	DDJVDHKZPMKHLU-UHFFFAOYSA-N	0	0	308.306	2.179	10	5		DEBERN
O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cn2ccnc2s1	ZINC000188356937	282298214	/nfs/dbraw/zinc/29/82/14/282298214.db2.gz	YATOXEQKVISBNY-UHFFFAOYSA-N	0	0	316.342	2.277	10	5		DEBERN
CCCNc1ccc(S(=O)(=O)NCC(C)C)c([N+](=O)[O-])c1	ZINC000050637664	190680166	/nfs/dbraw/zinc/68/01/66/190680166.db2.gz	VMCASFHJTJIRHL-UHFFFAOYSA-N	0	0	315.395	2.351	10	5		DEBERN
CCCN(CCC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1NC	ZINC000050639405	190680540	/nfs/dbraw/zinc/68/05/40/190680540.db2.gz	KSFKGUKHIYRLOP-UHFFFAOYSA-N	0	0	315.395	2.447	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cccc(O)c1	ZINC000170802833	197827241	/nfs/dbraw/zinc/82/72/41/197827241.db2.gz	ZZKNGZYSWXASPC-SECBINFHSA-N	0	0	301.302	2.495	10	5		DEBERN
CNc1ccc([N+](=O)[O-])c(Sc2nnc(N(C)C)s2)n1	ZINC000149463206	186050214	/nfs/dbraw/zinc/05/02/14/186050214.db2.gz	OMAYERRLCQTHKK-UHFFFAOYSA-N	0	0	312.380	2.100	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(C2OCCO2)CC1	ZINC000171215917	197900342	/nfs/dbraw/zinc/90/03/42/197900342.db2.gz	UZYBKGONJFUROH-UHFFFAOYSA-N	0	0	320.345	2.128	10	5		DEBERN
COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1C	ZINC000184352267	290918261	/nfs/dbraw/zinc/91/82/61/290918261.db2.gz	UAMDWUDJNFDATQ-CYBMUJFWSA-N	0	0	319.317	2.046	10	5		DEBERN
Cc1ccc([C@@H](C)OC(=O)C(=O)c2cnn(C)c2)cc1[N+](=O)[O-]	ZINC000176939142	198639609	/nfs/dbraw/zinc/63/96/09/198639609.db2.gz	YMCQKGUIGPNVNG-SNVBAGLBSA-N	0	0	317.301	2.124	10	5		DEBERN
CSCCCC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1	ZINC000129579872	355835972	/nfs/dbraw/zinc/83/59/72/355835972.db2.gz	MEDPNVUYSFWMCD-UHFFFAOYSA-N	0	0	323.418	2.387	10	5		DEBERN
CS(=O)(=O)[C@@H]1CCC[C@H]1Nc1cc([N+](=O)[O-])c(F)cc1F	ZINC000086673769	192589485	/nfs/dbraw/zinc/58/94/85/192589485.db2.gz	UWDVOIPGAILEGT-BXKDBHETSA-N	0	0	320.317	2.251	10	5		DEBERN
CCOC(=O)[C@@H](C(=O)OC(C)(C)C)c1cnc([N+](=O)[O-])cc1C	ZINC000584643377	357290605	/nfs/dbraw/zinc/29/06/05/357290605.db2.gz	DVPTZUJCSXXXFM-LBPRGKRZSA-N	0	0	324.333	2.287	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H](C3N=NC(=O)O3)C2)n1	ZINC000585702006	357346844	/nfs/dbraw/zinc/34/68/44/357346844.db2.gz	ZTMIRMNSFRLHQI-SNVBAGLBSA-N	0	0	319.321	2.079	10	5		DEBERN
CC(=O)c1cc(NCC(C)(C)[C@@]2(O)CCOC2)ccc1[N+](=O)[O-]	ZINC000591987366	357810596	/nfs/dbraw/zinc/81/05/96/357810596.db2.gz	JFBQYNSAMUXADD-MRXNPFEDSA-N	0	0	322.361	2.387	10	5		DEBERN
NC(=O)[C@@H]1Cc2ccccc2CN1Cc1csc([N+](=O)[O-])c1	ZINC000080319245	283334656	/nfs/dbraw/zinc/33/46/56/283334656.db2.gz	RGFRUUDSBCSFGD-ZDUSSCGKSA-N	0	0	317.370	2.069	10	5		DEBERN
Cc1cnc(CCN(C)C(=O)c2c(N)cccc2[N+](=O)[O-])s1	ZINC000180877623	199222281	/nfs/dbraw/zinc/22/22/81/199222281.db2.gz	CWPPRERSKMOKEF-UHFFFAOYSA-N	0	0	320.374	2.257	10	5		DEBERN
COC(=O)[C@]1(C)CCCN1C(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000187633858	200137349	/nfs/dbraw/zinc/13/73/49/200137349.db2.gz	USZPHNSIGSJVFE-ZDUSSCGKSA-N	0	0	312.347	2.132	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(OCC(C)C)CC2)n1	ZINC000191560215	200721888	/nfs/dbraw/zinc/72/18/88/200721888.db2.gz	XQOHMVSLYMVCFD-UHFFFAOYSA-N	0	0	324.381	2.088	10	5		DEBERN
CN(c1ncc([N+](=O)[O-])s1)[C@H]1CCN(c2ccccc2)C1=O	ZINC000192457243	200881553	/nfs/dbraw/zinc/88/15/53/200881553.db2.gz	IDDLMRSUPHAPGD-NSHDSACASA-N	0	0	318.358	2.293	10	5		DEBERN
Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](CO)c1ccccc1	ZINC000446248519	238686452	/nfs/dbraw/zinc/68/64/52/238686452.db2.gz	ODZFNBCLGJRJLZ-CQSZACIVSA-N	0	0	314.341	2.409	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2CC(=O)N(C3CC3)C2)n1	ZINC000611617493	361645601	/nfs/dbraw/zinc/64/56/01/361645601.db2.gz	CHOXGXUHEVQXKM-NSHDSACASA-N	0	0	304.350	2.029	10	5		DEBERN
CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])C1	ZINC000271795722	209223588	/nfs/dbraw/zinc/22/35/88/209223588.db2.gz	LEWPXBKTVAGLRO-DGCLKSJQSA-N	0	0	319.361	2.031	10	5		DEBERN
Cn1ncc(CNc2ccc3scnc3c2[N+](=O)[O-])c1N	ZINC000093435770	193251303	/nfs/dbraw/zinc/25/13/03/193251303.db2.gz	UXGDZTNDSFLERV-UHFFFAOYSA-N	0	0	304.335	2.132	10	5		DEBERN
CCOC(=O)[C@H](N)CSCc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000093633094	193277420	/nfs/dbraw/zinc/27/74/20/193277420.db2.gz	SVBQYDIKWRGAOL-SNVBAGLBSA-N	0	0	318.782	2.372	10	5		DEBERN
C[NH2+][C@@]1(C(=O)[O-])CC[C@H](Oc2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000093847162	193316915	/nfs/dbraw/zinc/31/69/15/193316915.db2.gz	TWAJMSMENIINJV-ZANVPECISA-N	0	0	314.725	2.222	10	5		DEBERN
CC1(C)CCC[C@H](S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1[NH3+]	ZINC000094281657	193355922	/nfs/dbraw/zinc/35/59/22/193355922.db2.gz	PDYNMAULHYZPTM-QWHCGFSZSA-N	0	0	312.391	2.275	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN(C2CC2)CC1	ZINC000094062498	193342685	/nfs/dbraw/zinc/34/26/85/193342685.db2.gz	UUIIOXPLXJKGJV-UHFFFAOYSA-N	0	0	317.389	2.440	10	5		DEBERN
CC1=CC(=O)N(c2ccc(Br)c([N+](=O)[O-])c2)C1=O	ZINC000094188771	193347673	/nfs/dbraw/zinc/34/76/73/193347673.db2.gz	YCHKKLHUHKNFLT-UHFFFAOYSA-N	0	0	311.091	2.177	10	5		DEBERN
C[C@@H](NC(=O)[C@@](C)(N)C(F)(F)F)c1cccc([N+](=O)[O-])c1	ZINC000094234081	193352967	/nfs/dbraw/zinc/35/29/67/193352967.db2.gz	TYTRXXOXQSNGCT-RDDDGLTNSA-N	0	0	305.256	2.052	10	5		DEBERN
Cc1cscc1CNC(=O)c1cc(NN)ccc1[N+](=O)[O-]	ZINC000094884955	193405379	/nfs/dbraw/zinc/40/53/79/193405379.db2.gz	PUPIOHAYKQRMOH-UHFFFAOYSA-N	0	0	306.347	2.180	10	5		DEBERN
CC[C@@H](C)[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1C	ZINC000094780576	193398119	/nfs/dbraw/zinc/39/81/19/193398119.db2.gz	ARNJYTRMAYBEQT-PSASIEDQSA-N	0	0	315.395	2.198	10	5		DEBERN
CC[C@H](C)[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1C	ZINC000094780579	193398124	/nfs/dbraw/zinc/39/81/24/193398124.db2.gz	ARNJYTRMAYBEQT-WPRPVWTQSA-N	0	0	315.395	2.198	10	5		DEBERN
CO[C@@]1(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCSC1	ZINC000096364383	193616154	/nfs/dbraw/zinc/61/61/54/193616154.db2.gz	FWOUBDYYSURMRH-NFBGWVBBSA-N	0	0	322.386	2.246	10	5		DEBERN
CNc1c(Cl)cc(C(=O)N(C)[C@@H]2CCOC2)cc1[N+](=O)[O-]	ZINC000161063588	197461375	/nfs/dbraw/zinc/46/13/75/197461375.db2.gz	YKJXOGBGLXEOGK-SECBINFHSA-N	0	0	313.741	2.151	10	5		DEBERN
CC(=O)c1c(C)cccc1NC(=O)Cn1cc([N+](=O)[O-])nc1C	ZINC000157614829	291632218	/nfs/dbraw/zinc/63/22/18/291632218.db2.gz	WRTNVYSKHOGVKU-UHFFFAOYSA-N	0	0	316.317	2.249	10	5		DEBERN
O=C(NO[C@@H]1CCCCO1)c1c[nH]c2ccc([N+](=O)[O-])cc21	ZINC000101669645	193834833	/nfs/dbraw/zinc/83/48/33/193834833.db2.gz	PQXTYBBQDDZWOE-CYBMUJFWSA-N	0	0	305.290	2.264	10	5		DEBERN
COC(=O)N[C@@H](C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)C(C)C	ZINC000101933272	193849906	/nfs/dbraw/zinc/84/99/06/193849906.db2.gz	YAIHJTMQGBONJU-ZWNOBZJWSA-N	0	0	323.349	2.153	10	5		DEBERN
C=COCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000040413913	183062990	/nfs/dbraw/zinc/06/29/90/183062990.db2.gz	SRGFQTFSWFCGGW-UHFFFAOYSA-N	0	0	320.754	2.077	10	5		DEBERN
COCCNc1ncnc(Nc2ccccc2C)c1[N+](=O)[O-]	ZINC000040648018	183114194	/nfs/dbraw/zinc/11/41/94/183114194.db2.gz	DUNPRZJEJYOIPR-UHFFFAOYSA-N	0	0	303.322	2.495	10	5		DEBERN
O=c1[nH]cnc(N(Cc2ccccc2)c2ccccn2)c1[N+](=O)[O-]	ZINC000040659849	183114890	/nfs/dbraw/zinc/11/48/90/183114890.db2.gz	DEZPVYNCCMRTHG-UHFFFAOYSA-N	0	0	323.312	2.411	10	5		DEBERN
CCc1onc(C)c1C(=O)NCCc1ccc([N+](=O)[O-])cc1	ZINC000105370236	194100285	/nfs/dbraw/zinc/10/02/85/194100285.db2.gz	CLTHQEQQUIASEJ-UHFFFAOYSA-N	0	0	303.318	2.426	10	5		DEBERN
Cc1cnn(C[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3)CCO2)c1	ZINC000105891516	194159631	/nfs/dbraw/zinc/15/96/31/194159631.db2.gz	NZTONMFNDMVWIX-INIZCTEOSA-N	0	0	316.361	2.001	10	5		DEBERN
CCC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC	ZINC000050632735	183791848	/nfs/dbraw/zinc/79/18/48/183791848.db2.gz	UUKPAESLJQQITR-SNVBAGLBSA-N	0	0	315.395	2.494	10	5		DEBERN
C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N	ZINC000050641047	183793511	/nfs/dbraw/zinc/79/35/11/183793511.db2.gz	YGBFCNPDROSDMD-BXKDBHETSA-N	0	0	313.379	2.034	10	5		DEBERN
CNc1cc([N+](=O)[O-])cc(F)c1S(=O)(=O)N(C)CC(C)C	ZINC000050652194	183794583	/nfs/dbraw/zinc/79/45/83/183794583.db2.gz	CFRINJIMEMUACY-UHFFFAOYSA-N	0	0	319.358	2.052	10	5		DEBERN
C[C@H]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2N)C1	ZINC000050653680	183795175	/nfs/dbraw/zinc/79/51/75/183795175.db2.gz	IWXUYEYSFIGBNX-UWVGGRQHSA-N	0	0	313.379	2.034	10	5		DEBERN
CCC(CC)N(C)S(=O)(=O)c1ccc(NC)cc1[N+](=O)[O-]	ZINC000050657485	183795522	/nfs/dbraw/zinc/79/55/22/183795522.db2.gz	JGTFSGTZRHQXQQ-UHFFFAOYSA-N	0	0	315.395	2.446	10	5		DEBERN
CCC[C@H](C)N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NC	ZINC000050658671	183796072	/nfs/dbraw/zinc/79/60/72/183796072.db2.gz	GAWPFHMQWHMZHS-JTQLQIEISA-N	0	0	315.395	2.446	10	5		DEBERN
C[C@H](N(C)S(=O)(=O)c1ccc(N)cc1[N+](=O)[O-])C(C)(C)C	ZINC000050670068	183797096	/nfs/dbraw/zinc/79/70/96/183797096.db2.gz	QYRWNLRGFDZXDG-VIFPVBQESA-N	0	0	315.395	2.232	10	5		DEBERN
C[C@@](COc1cc(Cl)ccc1[N+](=O)[O-])([NH2+]C1CC1)C(=O)[O-]	ZINC000051625880	183831854	/nfs/dbraw/zinc/83/18/54/183831854.db2.gz	ZSIAJHNVJNGLIQ-ZDUSSCGKSA-N	0	0	314.725	2.222	10	5		DEBERN
CN(C)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	ZINC000059505240	184138807	/nfs/dbraw/zinc/13/88/07/184138807.db2.gz	FHLTZLNWCFPCOE-UHFFFAOYSA-N	0	0	311.297	2.461	10	5		DEBERN
O=C1CN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CCN1	ZINC000015168234	296336868	/nfs/dbraw/zinc/33/68/68/296336868.db2.gz	AHKVUVYLGRSBHU-UHFFFAOYSA-N	0	0	323.658	2.203	10	5		DEBERN
O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)[C@@H]1CCOC1	ZINC000119609123	195001710	/nfs/dbraw/zinc/00/17/10/195001710.db2.gz	ADZACZTZFHJCMY-SSDOTTSWSA-N	0	0	315.123	2.332	10	5		DEBERN
Cc1cc(CCNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)on1	ZINC000557147901	291859623	/nfs/dbraw/zinc/85/96/23/291859623.db2.gz	HGIHSXKWJZLQON-LLVKDONJSA-N	0	0	303.318	2.354	10	5		DEBERN
CCCn1c(=O)[nH]nc1Sc1cccc(NC)c1[N+](=O)[O-]	ZINC000158863711	197307612	/nfs/dbraw/zinc/30/76/12/197307612.db2.gz	AKKBPVUISBLYGJ-UHFFFAOYSA-N	0	0	309.351	2.083	10	5		DEBERN
CSC(C)(C)CNC(=O)c1cc(N)c(F)cc1[N+](=O)[O-]	ZINC000157275597	197175820	/nfs/dbraw/zinc/17/58/20/197175820.db2.gz	QJPCDSHELOLWET-UHFFFAOYSA-N	0	0	301.343	2.188	10	5		DEBERN
COCCc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n(C)n1	ZINC000156760347	197138154	/nfs/dbraw/zinc/13/81/54/197138154.db2.gz	TVAKGCZQUKGOIK-UHFFFAOYSA-N	0	0	318.333	2.078	10	5		DEBERN
Nc1cc(C(=O)NC[C@@H]2CCCCS2)c([N+](=O)[O-])cc1F	ZINC000156595613	197126314	/nfs/dbraw/zinc/12/63/14/197126314.db2.gz	VRLUVRPHDZBUEG-QMMMGPOBSA-N	0	0	313.354	2.332	10	5		DEBERN
COc1cnccc1[C@H](C)NC(=O)Nc1ccncc1[N+](=O)[O-]	ZINC000188568244	533149182	/nfs/dbraw/zinc/14/91/82/533149182.db2.gz	FNIAFPGAZDDVDF-VIFPVBQESA-N	0	0	317.305	2.276	10	5		DEBERN
COc1cc(N[C@H]2CCc3nc(C)nn3C2)c([N+](=O)[O-])cc1F	ZINC000124801898	195680855	/nfs/dbraw/zinc/68/08/55/195680855.db2.gz	ZIFGFPGDZXWNQP-VIFPVBQESA-N	0	0	321.312	2.069	10	5		DEBERN
COc1ccc(OC)c(Cn2cc([N+](=O)[O-])cc(C)c2=O)c1	ZINC000127220484	195858430	/nfs/dbraw/zinc/85/84/30/195858430.db2.gz	WYKBUCBVRLEQJV-UHFFFAOYSA-N	0	0	304.302	2.130	10	5		DEBERN
O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000127770954	195909075	/nfs/dbraw/zinc/90/90/75/195909075.db2.gz	IDFTTWWEIADZOW-BBRMVZONSA-N	0	0	304.346	2.362	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc([C@@H](C)NC(N)=O)no1	ZINC000362299848	533380853	/nfs/dbraw/zinc/38/08/53/533380853.db2.gz	RNBSLLVQUAZCER-UFGYOYAJSA-N	0	0	317.305	2.268	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOC[C@@H](C)C1	ZINC000374922407	533405971	/nfs/dbraw/zinc/40/59/71/533405971.db2.gz	ZPOBMZPXPXPNGP-OQZOHAQUSA-N	0	0	304.346	2.493	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC(F)(F)F)C1CC1	ZINC000194283438	132537439	/nfs/dbraw/zinc/53/74/39/132537439.db2.gz	YQSBTQHEUKUASM-UHFFFAOYSA-N	0	0	303.240	2.465	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1CNc1nnc(-c2cnn(C)c2)o1	ZINC000195022184	132543753	/nfs/dbraw/zinc/54/37/53/132543753.db2.gz	KNEWOFJDEFSWOE-UHFFFAOYSA-N	0	0	314.305	2.299	10	5		DEBERN
O=[N+]([O-])c1ccc(N2CCO[C@@H](COc3ccccc3)C2)cn1	ZINC000357749584	133097342	/nfs/dbraw/zinc/09/73/42/133097342.db2.gz	RJZAPMMDBZZOLE-OAHLLOKOSA-N	0	0	315.329	2.274	10	5		DEBERN
CCOc1ccc(C(=O)NC[C@H]2CCCC[C@H]2O)cc1[N+](=O)[O-]	ZINC000077151776	144571748	/nfs/dbraw/zinc/57/17/48/144571748.db2.gz	QVEXXWHFFLZVHT-TZMCWYRMSA-N	0	0	322.361	2.274	10	5		DEBERN
C[C@H](CCNc1ncnc2sc([N+](=O)[O-])cc21)[S@@](C)=O	ZINC000312241964	145354697	/nfs/dbraw/zinc/35/46/97/145354697.db2.gz	GYYIPJJHZPQLQG-JLPJYYFKSA-N	0	0	314.392	2.169	10	5		DEBERN
Cc1ccc([C@@H](C)NC(=O)NC[C@@H](CO)C2CC2)cc1[N+](=O)[O-]	ZINC000358903725	147228272	/nfs/dbraw/zinc/22/82/72/147228272.db2.gz	POSHVFOQOIVHND-RISCZKNCSA-N	0	0	321.377	2.282	10	5		DEBERN
COC(=O)c1cc(C(=O)N2CCCC2(C)C)cc([N+](=O)[O-])c1	ZINC000077354474	401811617	/nfs/dbraw/zinc/81/16/17/401811617.db2.gz	YEUHKCRDOKYLKK-UHFFFAOYSA-N	0	0	306.318	2.396	10	5		DEBERN
Cc1cc2[nH]nc(I)c2c([N+](=O)[O-])c1	ZINC000014983785	401814638	/nfs/dbraw/zinc/81/46/38/401814638.db2.gz	LUSCPZSEFPJDOQ-UHFFFAOYSA-N	0	0	303.059	2.384	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])o1)N1CCO[C@@H](c2cccc(O)c2)C1	ZINC000135270687	401933219	/nfs/dbraw/zinc/93/32/19/401933219.db2.gz	FPUGSPJBHONCRR-CYBMUJFWSA-N	0	0	318.285	2.107	10	5		DEBERN
Cn1nccc1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1	ZINC000047457612	401982393	/nfs/dbraw/zinc/98/23/93/401982393.db2.gz	HBHWUTQPLFPEMS-UHFFFAOYSA-N	0	0	316.342	2.473	10	5		DEBERN
O=Cc1ccc(OCC(=O)NCCC2=CCCC2)c([N+](=O)[O-])c1	ZINC000152490415	402097570	/nfs/dbraw/zinc/09/75/70/402097570.db2.gz	ZXRHOAQAEMZTFB-UHFFFAOYSA-N	0	0	318.329	2.403	10	5		DEBERN
CC(C)Oc1ccc(F)cc1NC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000066433077	402133359	/nfs/dbraw/zinc/13/33/59/402133359.db2.gz	LKGLXQCMSRNRBS-UHFFFAOYSA-N	0	0	322.296	2.356	10	5		DEBERN
Cc1sc(C(=O)NCc2cccc(N(C)C)n2)cc1[N+](=O)[O-]	ZINC000153395450	402142644	/nfs/dbraw/zinc/14/26/44/402142644.db2.gz	CJYSOCGRPQHFTN-UHFFFAOYSA-N	0	0	320.374	2.356	10	5		DEBERN
Cc1ccn2ncc(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)c2n1	ZINC000068664314	402203543	/nfs/dbraw/zinc/20/35/43/402203543.db2.gz	DHSJTLDJXKCVIP-UHFFFAOYSA-N	0	0	323.312	2.149	10	5		DEBERN
Cc1sc(C(=O)NC[C@@H](C)Cn2ccnc2)cc1[N+](=O)[O-]	ZINC000153738660	402167167	/nfs/dbraw/zinc/16/71/67/402167167.db2.gz	GULTZRULBDDRHJ-SECBINFHSA-N	0	0	308.363	2.227	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])s1)N1CCC(Cn2cccn2)CC1	ZINC000126037177	402261425	/nfs/dbraw/zinc/26/14/25/402261425.db2.gz	YZMVYXUCZQMOKK-UHFFFAOYSA-N	0	0	320.374	2.405	10	5		DEBERN
Cc1nc(CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)no1	ZINC000176332650	402300620	/nfs/dbraw/zinc/30/06/20/402300620.db2.gz	LRTPTCVFOJYDMS-VIFPVBQESA-N	0	0	319.321	2.155	10	5		DEBERN
COc1cc(N[C@H](C)CN2CCCC2=O)c([N+](=O)[O-])cc1F	ZINC000176929414	402351982	/nfs/dbraw/zinc/35/19/82/402351982.db2.gz	LOPWYCAYYHAZAT-SECBINFHSA-N	0	0	311.313	2.165	10	5		DEBERN
COc1cccc(NC2CCN(CC[NH+](C)C)CC2)c1[N+](=O)[O-]	ZINC000185172666	402330488	/nfs/dbraw/zinc/33/04/88/402330488.db2.gz	JEZFFPBAHUALDZ-UHFFFAOYSA-N	0	0	322.409	2.041	10	5		DEBERN
C[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CCC1=O	ZINC000186544293	402440960	/nfs/dbraw/zinc/44/09/60/402440960.db2.gz	OPYPQMQHTTXGBT-JTQLQIEISA-N	0	0	308.359	2.124	10	5		DEBERN
CN(Cc1ccc(F)cc1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000186756149	402462263	/nfs/dbraw/zinc/46/22/63/402462263.db2.gz	JJNCFEGRIHUOQB-UHFFFAOYSA-N	0	0	305.265	2.107	10	5		DEBERN
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000164991827	402472075	/nfs/dbraw/zinc/47/20/75/402472075.db2.gz	UMBXTMUJODNMEC-CYBMUJFWSA-N	0	0	321.377	2.151	10	5		DEBERN
CC1(C)CC[C@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)O1	ZINC000187373825	402496842	/nfs/dbraw/zinc/49/68/42/402496842.db2.gz	NEZKXMUPRSBBPU-CYBMUJFWSA-N	0	0	308.334	2.047	10	5		DEBERN
C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](Cn2cccn2)C1	ZINC000247178526	402559571	/nfs/dbraw/zinc/55/95/71/402559571.db2.gz	NJRLHBGNJKLMLG-XJKSGUPXSA-N	0	0	316.361	2.253	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2ccncc2)[nH]n1	ZINC000170829798	402530321	/nfs/dbraw/zinc/53/03/21/402530321.db2.gz	GOYGQFSUWPFGCM-UHFFFAOYSA-N	0	0	324.300	2.336	10	5		DEBERN
CCOCCOCCN(C)c1cc(OC)c(F)cc1[N+](=O)[O-]	ZINC000190262281	402588537	/nfs/dbraw/zinc/58/85/37/402588537.db2.gz	RODLCHACGKTQSO-UHFFFAOYSA-N	0	0	316.329	2.232	10	5		DEBERN
COc1cc(N2CCC3(CC2)OCCO3)c([N+](=O)[O-])cc1F	ZINC000301612659	286228701	/nfs/dbraw/zinc/22/87/01/286228701.db2.gz	GDNYCYOJDXKNRZ-UHFFFAOYSA-N	0	0	312.297	2.086	10	5		DEBERN
C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F	ZINC000248619187	402599507	/nfs/dbraw/zinc/59/95/07/402599507.db2.gz	ZSUYXEWPEANRPO-GMTAPVOTSA-N	0	0	310.325	2.473	10	5		DEBERN
CCc1n[nH]c(C(=O)NCC=Cc2ccccc2)c1[N+](=O)[O-]	ZINC000171856998	402629267	/nfs/dbraw/zinc/62/92/67/402629267.db2.gz	KSYYDPYHACOADB-RMKNXTFCSA-N	0	0	300.318	2.324	10	5		DEBERN
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)C(C)C	ZINC000172665705	402668889	/nfs/dbraw/zinc/66/88/89/402668889.db2.gz	RTCLWZNFANJTBU-JTQLQIEISA-N	0	0	316.379	2.174	10	5		DEBERN
Cc1ccc2c(c1)[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H](C)C2	ZINC000182212457	402672573	/nfs/dbraw/zinc/67/25/73/402672573.db2.gz	CWPJNLIMUAFPLK-ZBEGNZNMSA-N	0	0	314.345	2.149	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2cccn2)nc1	ZINC000192675046	402743614	/nfs/dbraw/zinc/74/36/14/402743614.db2.gz	ANKOXOCLRSOIPO-UHFFFAOYSA-N	0	0	324.300	2.131	10	5		DEBERN
CCn1nc(C)c([N+](=O)[O-])c1NCc1nnc(C2CCC2)n1C	ZINC000192765427	402748825	/nfs/dbraw/zinc/74/88/25/402748825.db2.gz	AOAGFRFIQPERFN-UHFFFAOYSA-N	0	0	319.369	2.128	10	5		DEBERN
CCn1cnnc1[C@@H]1CCCN(c2cc(N)ccc2[N+](=O)[O-])C1	ZINC000192801892	402750903	/nfs/dbraw/zinc/75/09/03/402750903.db2.gz	LTKNHDKFCWFHOK-LLVKDONJSA-N	0	0	316.365	2.172	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1CN(C1CC1)[C@@H]1CCS(=O)(=O)C1	ZINC000183269153	402751562	/nfs/dbraw/zinc/75/15/62/402751562.db2.gz	CJBGRVQLWJJMTQ-OAHLLOKOSA-N	0	0	324.402	2.055	10	5		DEBERN
Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1c(C)cccc1[N+](=O)[O-]	ZINC000194815577	402817014	/nfs/dbraw/zinc/81/70/14/402817014.db2.gz	QYALEKIIRAUBQQ-NSHDSACASA-N	0	0	315.333	2.068	10	5		DEBERN
CC[C@H](C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)C(=O)OC	ZINC000195224231	402837551	/nfs/dbraw/zinc/83/75/51/402837551.db2.gz	GOCFJJVGRAFUMB-TVQRCGJNSA-N	0	0	308.334	2.221	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCn2ncnc21	ZINC000175861544	402839244	/nfs/dbraw/zinc/83/92/44/402839244.db2.gz	MHDXEICSEQJHNR-LLVKDONJSA-N	0	0	316.321	2.151	10	5		DEBERN
CCc1nnc([C@@H]2CN(c3ccc([N+](=O)[O-])c(C)c3)CCO2)[nH]1	ZINC000271411308	402868247	/nfs/dbraw/zinc/86/82/47/402868247.db2.gz	TUMJTEQCXKRTBK-ZDUSSCGKSA-N	0	0	317.349	2.162	10	5		DEBERN
CCN(CC(F)F)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000273399581	403001337	/nfs/dbraw/zinc/00/13/37/403001337.db2.gz	GJNFJJWTEZJQKH-UHFFFAOYSA-N	0	0	312.269	2.010	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[C@H]1O	ZINC000273445600	403005357	/nfs/dbraw/zinc/00/53/57/403005357.db2.gz	SADCZNCTCFYNQB-ODLGNMLASA-N	0	0	304.346	2.275	10	5		DEBERN
CC(C)(C)[C@H](O)CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000268599750	403097555	/nfs/dbraw/zinc/09/75/55/403097555.db2.gz	HISACYRIPPXLQD-LLVKDONJSA-N	0	0	300.742	2.385	10	5		DEBERN
CC(=O)c1cc(NCCCCN2CCOCC2)ccc1[N+](=O)[O-]	ZINC000339975388	403512323	/nfs/dbraw/zinc/51/23/23/403512323.db2.gz	IKPMGOHAIKMKNU-UHFFFAOYSA-N	0	0	321.377	2.322	10	5		DEBERN
O=c1[nH]c(NC[C@@H]2CCCC[C@@H]2O)nc2ccc([N+](=O)[O-])cc12	ZINC000287285314	403567889	/nfs/dbraw/zinc/56/78/89/403567889.db2.gz	LYWQHVKNWHTFFK-ZANVPECISA-N	0	0	318.333	2.207	10	5		DEBERN
O=[N+]([O-])c1ccc(N[C@H]2CCN(c3ncccc3F)C2)cn1	ZINC000567013546	292283233	/nfs/dbraw/zinc/28/32/33/292283233.db2.gz	OYHQFPISGKRCFM-NSHDSACASA-N	0	0	303.297	2.215	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)c1	ZINC000408172150	292286179	/nfs/dbraw/zinc/28/61/79/292286179.db2.gz	SIOPDSQCUWNKAJ-ZENOOKHLSA-N	0	0	306.362	2.269	10	5		DEBERN
COC(=O)C=Cc1ccc(N[C@@H](C)c2nc[nH]n2)c([N+](=O)[O-])c1	ZINC000301908131	403700004	/nfs/dbraw/zinc/70/00/04/403700004.db2.gz	AGQOXSCZAUCGHK-DNQSNQRASA-N	0	0	317.305	2.072	10	5		DEBERN
O=[N+]([O-])c1ccc(CO)cc1N1CCO[C@@H](c2ccco2)C1	ZINC000302031954	403706608	/nfs/dbraw/zinc/70/66/08/403706608.db2.gz	KKQTVZNZMBDEBE-OAHLLOKOSA-N	0	0	304.302	2.258	10	5		DEBERN
COc1cc([N+](=O)[O-])cc(I)c1OC	ZINC000307464312	403952982	/nfs/dbraw/zinc/95/29/82/403952982.db2.gz	LITARPWPZLHSOO-UHFFFAOYSA-N	0	0	309.059	2.217	10	5		DEBERN
Cc1cc([C@H]2CCCN2c2ccc3ncc([N+](=O)[O-])n3n2)no1	ZINC000367221270	404971616	/nfs/dbraw/zinc/97/16/16/404971616.db2.gz	HBJYOBGDIVEMEU-LLVKDONJSA-N	0	0	314.305	2.275	10	5		DEBERN
C[C@H]1CCOCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000378511079	404987407	/nfs/dbraw/zinc/98/74/07/404987407.db2.gz	XLUGDPNSALEOMM-NSHDSACASA-N	0	0	318.333	2.256	10	5		DEBERN
O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O	ZINC000407961565	405076642	/nfs/dbraw/zinc/07/66/42/405076642.db2.gz	IBTHDDDBMNBLJO-IACUBPJLSA-N	0	0	307.350	2.079	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C1CCOCC1	ZINC000408129374	405118462	/nfs/dbraw/zinc/11/84/62/405118462.db2.gz	OYJLYJKDNBUKKO-OAHLLOKOSA-N	0	0	319.361	2.329	10	5		DEBERN
CC1CCC(O)(CN2CCc3ncc([N+](=O)[O-])cc3C2)CC1	ZINC000408198734	405136620	/nfs/dbraw/zinc/13/66/20/405136620.db2.gz	OKOQSKJVMLSZMO-UHFFFAOYSA-N	0	0	305.378	2.289	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CCCN(C(=O)C3CC3)CC2)n1	ZINC000408403123	405197082	/nfs/dbraw/zinc/19/70/82/405197082.db2.gz	CXWABJGKOQTUCM-UHFFFAOYSA-N	0	0	318.377	2.055	10	5		DEBERN
CCOc1ccc(C(=O)NCCC(C)(C)CO)cc1[N+](=O)[O-]	ZINC000452845792	405250287	/nfs/dbraw/zinc/25/02/87/405250287.db2.gz	WUPZSEFTGYHXIO-UHFFFAOYSA-N	0	0	310.350	2.132	10	5		DEBERN
COc1cc(CN(C)CCCO)c([N+](=O)[O-])cc1OC(F)F	ZINC000440941892	405331903	/nfs/dbraw/zinc/33/19/03/405331903.db2.gz	SLOJOFJWHQESEC-UHFFFAOYSA-N	0	0	320.292	2.019	10	5		DEBERN
CC(C)(C(=O)N[C@@H]1CCCC(F)(F)C1)n1cc([N+](=O)[O-])cn1	ZINC000493898378	405608113	/nfs/dbraw/zinc/60/81/13/405608113.db2.gz	WDIZPZNWGORTPD-SECBINFHSA-N	0	0	316.308	2.221	10	5		DEBERN
O=C(NCCCC1CC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1	ZINC000559125914	405720280	/nfs/dbraw/zinc/72/02/80/405720280.db2.gz	IVECTVPFAUJGQE-UHFFFAOYSA-N	0	0	321.381	2.328	10	5		DEBERN
COCCCN(Cc1ccncc1)c1ccc([N+](=O)[O-])nc1	ZINC000450393758	405873570	/nfs/dbraw/zinc/87/35/70/405873570.db2.gz	QXJXUSONPRRSFV-UHFFFAOYSA-N	0	0	302.334	2.428	10	5		DEBERN
CCOC(=O)C(C)(C)n1cc(Nc2ccc([N+](=O)[O-])nc2)cn1	ZINC000450394937	405874136	/nfs/dbraw/zinc/87/41/36/405874136.db2.gz	SBRXZNGFDHXIGR-UHFFFAOYSA-N	0	0	319.321	2.228	10	5		DEBERN
CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1c1ccc([N+](=O)[O-])nc1	ZINC000450365064	405857973	/nfs/dbraw/zinc/85/79/73/405857973.db2.gz	MWERSPJVZNZUCL-QWHCGFSZSA-N	0	0	306.366	2.216	10	5		DEBERN
COc1cccc2c1CCN(c1ncc([N+](=O)[O-])c(C)n1)CC2	ZINC000450489192	405927291	/nfs/dbraw/zinc/92/72/91/405927291.db2.gz	ZGSXNOASRSNVKM-UHFFFAOYSA-N	0	0	314.345	2.307	10	5		DEBERN
O=C(N[C@@H]1CCCC(F)(F)C1)c1cc([N+](=O)[O-])c[nH]c1=O	ZINC000488956776	406364127	/nfs/dbraw/zinc/36/41/27/406364127.db2.gz	ROFGZLXUKXRNBV-SSDOTTSWSA-N	0	0	301.249	2.003	10	5		DEBERN
NC(=O)c1c(Br)ccc(OC(F)F)c1[N+](=O)[O-]	ZINC000575684430	406817790	/nfs/dbraw/zinc/81/77/90/406817790.db2.gz	VKCLUVVHNVQURE-UHFFFAOYSA-N	0	0	311.038	2.058	10	5		DEBERN
COC(=O)c1cc(I)cc(C)c1[N+](=O)[O-]	ZINC000575713954	406822186	/nfs/dbraw/zinc/82/21/86/406822186.db2.gz	AHTNUZKYPSWDBI-UHFFFAOYSA-N	0	0	321.070	2.294	10	5		DEBERN
COc1c(C=O)cc(I)cc1[N+](=O)[O-]	ZINC000575728100	406825505	/nfs/dbraw/zinc/82/55/05/406825505.db2.gz	PATXDXHAKXXHLL-UHFFFAOYSA-N	0	0	307.043	2.021	10	5		DEBERN
COc1cccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)n1	ZINC000128926995	196004649	/nfs/dbraw/zinc/00/46/49/196004649.db2.gz	XHYGZGJXEHDHNN-UHFFFAOYSA-N	0	0	302.290	2.320	10	5		DEBERN
CC[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131173723	196146340	/nfs/dbraw/zinc/14/63/40/196146340.db2.gz	UBPONNFNTXEXTF-VIFPVBQESA-N	0	0	302.327	2.297	10	5		DEBERN
CCN(CC1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131228862	196151426	/nfs/dbraw/zinc/15/14/26/196151426.db2.gz	GSGYDYNXAXIEJJ-UHFFFAOYSA-N	0	0	302.327	2.155	10	5		DEBERN
CCNc1ccc(C(=O)NCc2cncs2)cc1[N+](=O)[O-]	ZINC000131732881	196194650	/nfs/dbraw/zinc/19/46/50/196194650.db2.gz	OMCCQWGFKSAGEN-UHFFFAOYSA-N	0	0	306.347	2.413	10	5		DEBERN
C[C@H]1C[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000131753367	196196444	/nfs/dbraw/zinc/19/64/44/196196444.db2.gz	FZCYPACFXHJOTA-JGVFFNPUSA-N	0	0	304.755	2.183	10	5		DEBERN
C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])C1	ZINC000131955135	196213466	/nfs/dbraw/zinc/21/34/66/196213466.db2.gz	SMFUMDZAIVKQAK-WPRPVWTQSA-N	0	0	302.327	2.201	10	5		DEBERN
CCC(CC)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(NC)c1	ZINC000131960762	196214516	/nfs/dbraw/zinc/21/45/16/196214516.db2.gz	LQGJQUGVYSQMBH-UHFFFAOYSA-N	0	0	315.395	2.446	10	5		DEBERN
C[C@H](N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1)C(C)(C)C	ZINC000132077130	196224293	/nfs/dbraw/zinc/22/42/93/196224293.db2.gz	WBABSMHLQFQFKF-VIFPVBQESA-N	0	0	315.395	2.232	10	5		DEBERN
O=[N+]([O-])c1ccc(F)c(F)c1N1CCCC2(C1)OCCO2	ZINC000134217853	196371497	/nfs/dbraw/zinc/37/14/97/196371497.db2.gz	OBLODQROHQWOML-UHFFFAOYSA-N	0	0	300.261	2.216	10	5		DEBERN
C[C@H](C(=O)N(C)CC1(CO)CC1)c1ccc([N+](=O)[O-])cc1F	ZINC000189130517	225043950	/nfs/dbraw/zinc/04/39/50/225043950.db2.gz	ODTBMNSGLLSHJW-JTQLQIEISA-N	0	0	310.325	2.068	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(C)cc2C)n1	ZINC000191500998	225110721	/nfs/dbraw/zinc/11/07/21/225110721.db2.gz	IIZPWNNEFOXLNN-UHFFFAOYSA-N	0	0	302.334	2.358	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2cccc(O)c2)n1	ZINC000191857511	225117478	/nfs/dbraw/zinc/11/74/78/225117478.db2.gz	HJARULYQQRUEAP-SECBINFHSA-N	0	0	304.306	2.008	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)n1	ZINC000191888714	225119182	/nfs/dbraw/zinc/11/91/82/225119182.db2.gz	RJSVGTNVZNXJSX-TUAOUCFPSA-N	0	0	306.366	2.462	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)CNc2ccccc2)n1	ZINC000191958964	225120330	/nfs/dbraw/zinc/12/03/30/225120330.db2.gz	GXZJQVYNAIJTCW-NSHDSACASA-N	0	0	317.349	2.042	10	5		DEBERN
O=[N+]([O-])c1cccnc1NCc1ccnc(O[C@H]2CCOC2)c1	ZINC000301872549	229952584	/nfs/dbraw/zinc/95/25/84/229952584.db2.gz	HRUIGMZZGSTDAZ-LBPRGKRZSA-N	0	0	316.317	2.165	10	5		DEBERN
Cc1nn(C)c(C)c1C[C@@H](C)Nc1cc(CO)ccc1[N+](=O)[O-]	ZINC000302033409	230049444	/nfs/dbraw/zinc/04/94/44/230049444.db2.gz	KYGLNLZEICUAJT-SNVBAGLBSA-N	0	0	318.377	2.481	10	5		DEBERN
Cn1nc(CNc2ccc3ncc([N+](=O)[O-])n3n2)c2ccccc21	ZINC000612666772	422484036	/nfs/dbraw/zinc/48/40/36/422484036.db2.gz	JVQCTZWSHKGXGP-UHFFFAOYSA-N	0	0	323.316	2.136	10	5		DEBERN
CC(C)c1nnc2n1CCN(C(=O)c1ccc([N+](=O)[O-])o1)[C@@H]2C	ZINC000364753601	276076635	/nfs/dbraw/zinc/07/66/35/276076635.db2.gz	GICIAPQBCBCSGJ-SECBINFHSA-N	0	0	319.321	2.120	10	5		DEBERN
COC(=O)c1cc(N2C[C@@H](C)O[C@H](C)C2)cc(C)c1[N+](=O)[O-]	ZINC000267914098	277423559	/nfs/dbraw/zinc/42/35/59/277423559.db2.gz	CVQPRHJCLACBLL-GHMZBOCLSA-N	0	0	308.334	2.303	10	5		DEBERN
CCCCN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CCC[C@@H](C)C1	ZINC000359256922	278678758	/nfs/dbraw/zinc/67/87/58/278678758.db2.gz	GXBYQTWIKMCIJR-CHWSQXEVSA-N	0	0	323.397	2.394	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H](C)CC[C@@H]1C	ZINC000076731083	281017595	/nfs/dbraw/zinc/01/75/95/281017595.db2.gz	OKPHVPVSJFYNMU-PWSUYJOCSA-N	0	0	319.361	2.489	10	5		DEBERN
C[C@@H]1OCC[C@@H]1S(=O)(=O)Oc1c(Cl)cccc1[N+](=O)[O-]	ZINC000190272592	297610755	/nfs/dbraw/zinc/61/07/55/297610755.db2.gz	WPYMFWNLAYYZMT-XVKPBYJWSA-N	0	0	321.738	2.134	10	5		DEBERN
CSCCCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000172406614	325729878	/nfs/dbraw/zinc/72/98/78/325729878.db2.gz	GVKRHECOJQWRET-UHFFFAOYSA-N	0	0	323.418	2.387	10	5		DEBERN
C[C@@H](C(=O)N1CCCn2nccc21)c1cccc([N+](=O)[O-])c1	ZINC000574350684	326146349	/nfs/dbraw/zinc/14/63/49/326146349.db2.gz	BFVRLTDUCHVJAJ-LLVKDONJSA-N	0	0	300.318	2.332	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C)c1nccs1	ZINC000183505781	333185363	/nfs/dbraw/zinc/18/53/63/333185363.db2.gz	DLWUNKUDUCVXEG-QMMMGPOBSA-N	0	0	306.347	2.288	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c1=O	ZINC000246215347	525572129	/nfs/dbraw/zinc/57/21/29/525572129.db2.gz	CNGVWTYEAAXPDF-ZKYQVNSYSA-N	0	0	321.377	2.006	10	5		DEBERN
CC(=O)c1ccc(OCc2nnnn2C(C)(C)C)c([N+](=O)[O-])c1	ZINC000361592742	534871693	/nfs/dbraw/zinc/87/16/93/534871693.db2.gz	WLZGWERMMJSJJR-UHFFFAOYSA-N	0	0	319.321	2.118	10	5		DEBERN
O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CCCC[C@@H]1CO	ZINC000151092449	526516493	/nfs/dbraw/zinc/51/64/93/526516493.db2.gz	XGMLKMKPMZCSNQ-CHWSQXEVSA-N	0	0	321.377	2.064	10	5		DEBERN
CC(C)COC1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1	ZINC000301953353	528081035	/nfs/dbraw/zinc/08/10/35/528081035.db2.gz	CRRRLILTVISRPQ-UHFFFAOYSA-N	0	0	319.365	2.279	10	5		DEBERN
CCOC(=O)[C@]1(C(C)C)CCN(c2ccc([N+](=O)[O-])nc2)C1	ZINC000444870652	528111268	/nfs/dbraw/zinc/11/12/68/528111268.db2.gz	IJMOLXGPIMIROA-OAHLLOKOSA-N	0	0	307.350	2.405	10	5		DEBERN
CCC1(CC)CN(c2ccccc2[N+](=O)[O-])CCS1(=O)=O	ZINC000302449909	529086968	/nfs/dbraw/zinc/08/69/68/529086968.db2.gz	OYCKDQVOKXQXRJ-UHFFFAOYSA-N	0	0	312.391	2.388	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)COC3)n1	ZINC000191696453	529154762	/nfs/dbraw/zinc/15/47/62/529154762.db2.gz	IQDSWUQDERUYCK-UHFFFAOYSA-N	0	0	302.290	2.094	10	5		DEBERN
CCCCN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CCC[C@H](C)C1	ZINC000359256926	535181857	/nfs/dbraw/zinc/18/18/57/535181857.db2.gz	GXBYQTWIKMCIJR-STQMWFEESA-N	0	0	323.397	2.394	10	5		DEBERN
CCOc1ccc(C(=O)NCC2(CC)COC2)cc1[N+](=O)[O-]	ZINC000456472755	535705379	/nfs/dbraw/zinc/70/53/79/535705379.db2.gz	OHRPLKXVDBTHJH-UHFFFAOYSA-N	0	0	308.334	2.150	10	5		DEBERN
O=[N+]([O-])c1ncccc1OS(=O)(=O)/C=C/c1ccccc1	ZINC000023862486	625440247	/nfs/dbraw/zinc/44/02/47/625440247.db2.gz	ONPQUNLDEZMXOP-CSKARUKUSA-N	0	0	306.299	2.369	10	5		DEBERN
C[C@@H]1CO[C@@H](c2ccccc2)CN1Cn1cc([N+](=O)[O-])cn1	ZINC000066795050	625838953	/nfs/dbraw/zinc/83/89/53/625838953.db2.gz	XLVKTUPMSUQQDB-IUODEOHRSA-N	0	0	302.334	2.211	10	5		DEBERN
CCC[C@]1(C)NC(=O)N(Cc2cc(F)ccc2[N+](=O)[O-])C1=O	ZINC000047359704	636313760	/nfs/dbraw/zinc/31/37/60/636313760.db2.gz	LTAPUGPIOBUHIJ-AWEZNQCLSA-N	0	0	309.297	2.345	10	5		DEBERN
C/C(=C/C(=O)NC[C@H](O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1	ZINC000752518944	639192912	/nfs/dbraw/zinc/19/29/12/639192912.db2.gz	VWTXHGKFEQGTNT-JYKYSHPRSA-N	0	0	318.251	2.038	10	5		DEBERN
O=C(Cc1cccc([N+](=O)[O-])c1)N1CCCc2cc[nH]c(=O)c21	ZINC000752927796	639236481	/nfs/dbraw/zinc/23/64/81/639236481.db2.gz	BKJLRTBBUHNPSG-UHFFFAOYSA-N	0	0	313.313	2.217	10	5		DEBERN
Cc1c(Br)c(N[C@H](C)[C@H](C)O)ncc1[N+](=O)[O-]	ZINC000343797328	640629072	/nfs/dbraw/zinc/62/90/72/640629072.db2.gz	UFEJBOLMAJMDJP-RQJHMYQMSA-N	0	0	304.144	2.242	10	5		DEBERN
CC(=O)N1CCC[C@H]1C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1	ZINC000729544580	640793076	/nfs/dbraw/zinc/79/30/76/640793076.db2.gz	JBJUJXDVBZAFDO-HZMBPMFUSA-N	0	0	306.318	2.210	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C)c1nncn1C	ZINC000805530023	641989543	/nfs/dbraw/zinc/98/95/43/641989543.db2.gz	AYTLZFNMIAKXGX-IEHMKBBKSA-N	0	0	316.317	2.431	10	5		DEBERN
O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H](Oc2ccccn2)C1	ZINC000238865852	643308822	/nfs/dbraw/zinc/30/88/22/643308822.db2.gz	LTMBEGJQRBEPNR-AWEZNQCLSA-N	0	0	313.313	2.283	10	5		DEBERN
COC(=O)c1ccoc1C(=O)OCc1ccc([N+](=O)[O-])cc1F	ZINC000800265889	645248692	/nfs/dbraw/zinc/24/86/92/645248692.db2.gz	ULHSSLIHWGTRQS-UHFFFAOYSA-N	0	0	323.232	2.471	10	5		DEBERN
O=C(N[C@H]1Cc2ccc(Cl)cc2C1)c1ccc([N+](=O)[O-])[nH]1	ZINC000800578179	645289404	/nfs/dbraw/zinc/28/94/04/645289404.db2.gz	DIZPDMMMDWUSAR-NSHDSACASA-N	0	0	305.721	2.474	10	5		DEBERN
O=[N+]([O-])c1ccc(NC(=S)N2CCO[C@H](C(F)F)C2)cc1	ZINC000800819400	645308369	/nfs/dbraw/zinc/30/83/69/645308369.db2.gz	LQDMRYJFWCQIGX-JTQLQIEISA-N	0	0	317.317	2.258	10	5		DEBERN
O=[N+]([O-])c1ccc2ncnc(N3CCO[C@H](C(F)F)C3)c2c1	ZINC000800877016	645316095	/nfs/dbraw/zinc/31/60/95/645316095.db2.gz	XTVKXCOXGKFYPN-NSHDSACASA-N	0	0	310.260	2.008	10	5		DEBERN
CC(C)(C)OCC[C@@H]1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000804210930	645741192	/nfs/dbraw/zinc/74/11/92/645741192.db2.gz	BFYCOBJFWYFVGS-LBPRGKRZSA-N	0	0	321.333	2.225	10	5		DEBERN
C/C(=C/C(=O)N[C@@](C)(C(N)=O)C(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000804426772	645768683	/nfs/dbraw/zinc/76/86/83/645768683.db2.gz	FLWMSHNKNSGRNR-HGPCXVNDSA-N	0	0	319.361	2.014	10	5		DEBERN
COC(=O)c1cc(C)nc(NC[C@@H]2CCC=CO2)c1[N+](=O)[O-]	ZINC000804630852	645799183	/nfs/dbraw/zinc/79/91/83/645799183.db2.gz	JUHXRYWQQJPIIK-JTQLQIEISA-N	0	0	307.306	2.189	10	5		DEBERN
CC(=O)c1cnc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)s1	ZINC000173658679	646777531	/nfs/dbraw/zinc/77/75/31/646777531.db2.gz	QDZTYXSVVHSBRB-UHFFFAOYSA-N	0	0	320.330	2.397	10	5		DEBERN
CO[C@H]1CCC[C@@H](OC(=O)COc2ccccc2[N+](=O)[O-])C1	ZINC000073071057	649601523	/nfs/dbraw/zinc/60/15/23/649601523.db2.gz	MSWOSFXTICOFPR-NWDGAFQWSA-N	0	0	309.318	2.474	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(Cl)nc2)s1	ZINC000125061171	684141229	/nfs/dbraw/zinc/14/12/29/684141229.db2.gz	LBYZBSRHKZJMLO-UHFFFAOYSA-N	0	0	320.735	2.472	10	5		DEBERN
Cc1ccc(OC(=O)CCOC[C@@H]2CCCO2)cc1[N+](=O)[O-]	ZINC000131822080	684202687	/nfs/dbraw/zinc/20/26/87/684202687.db2.gz	JQESRDGPRQZELM-ZDUSSCGKSA-N	0	0	309.318	2.394	10	5		DEBERN
CC(C)c1nnc(COc2ccc([N+](=O)[O-])cc2C=O)n1C	ZINC000194669226	685073980	/nfs/dbraw/zinc/07/39/80/685073980.db2.gz	FLJSSELTPVTHCQ-UHFFFAOYSA-N	0	0	304.306	2.238	10	5		DEBERN
Cc1cc([N+](=O)[O-])nn1C[C@@](C)(O)C(F)(F)C(F)(F)F	ZINC000724038457	777226367	/nfs/dbraw/zinc/22/63/67/777226367.db2.gz	ZBPCPKJAIBACKP-SSDOTTSWSA-N	0	0	303.187	2.048	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cnn(C)c1	ZINC000588444629	781635799	/nfs/dbraw/zinc/63/57/99/781635799.db2.gz	GKVAGCSEQYCKCZ-XFFZJAGNSA-N	0	0	300.318	2.048	10	5		DEBERN
O=[N+]([O-])c1cccc(F)c1NCC[C@@H]1CCCS1(=O)=O	ZINC000714330368	792308288	/nfs/dbraw/zinc/30/82/88/792308288.db2.gz	LNYVSGBADGBTTK-VIFPVBQESA-N	0	0	302.327	2.113	10	5		DEBERN
CCN(CCc1nccs1)C(=O)c1c(N)cccc1[N+](=O)[O-]	ZINC000181258172	199272648	/nfs/dbraw/zinc/27/26/48/199272648.db2.gz	OWDDWQJULWKIHF-UHFFFAOYSA-N	0	0	320.374	2.338	10	5		DEBERN
CCOC(=O)[C@H](C)CN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CC1	ZINC000096759594	185386559	/nfs/dbraw/zinc/38/65/59/185386559.db2.gz	PGPLGHQZFWAXPV-LLVKDONJSA-N	0	0	320.345	2.399	10	5		DEBERN
CCc1[nH]nc(C(=O)Nc2cccc(CCCO)c2)c1[N+](=O)[O-]	ZINC000444360279	529469059	/nfs/dbraw/zinc/46/90/59/529469059.db2.gz	DQRQCHNEJDWCDQ-UHFFFAOYSA-N	0	0	318.333	2.058	10	5		DEBERN
O=C(c1ccnc(Cl)c1[N+](=O)[O-])N1CCO[C@H]2CCC[C@H]21	ZINC000088805969	185266192	/nfs/dbraw/zinc/26/61/92/185266192.db2.gz	FBVUNVSONWIJFB-ZJUUUORDSA-N	0	0	311.725	2.037	10	5		DEBERN
CCCn1nc(C)c([N+](=O)[O-])c1SC[C@@H](C)C(=O)OC	ZINC000090104224	185282472	/nfs/dbraw/zinc/28/24/72/185282472.db2.gz	RRXNVSDFRZOXJK-MRVPVSSYSA-N	0	0	301.368	2.411	10	5		DEBERN
COCc1cncc(C(=O)NCc2ccccc2[N+](=O)[O-])c1	ZINC000613176314	362028146	/nfs/dbraw/zinc/02/81/46/362028146.db2.gz	WYIHVUQLXUEPGX-UHFFFAOYSA-N	0	0	301.302	2.066	10	5		DEBERN
CCNc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)CC	ZINC000050637361	190680025	/nfs/dbraw/zinc/68/00/25/190680025.db2.gz	SXYQJERSJQXEIR-SECBINFHSA-N	0	0	301.368	2.103	10	5		DEBERN
CCNc1ccc(S(=O)(=O)NC(CC)CC)cc1[N+](=O)[O-]	ZINC000050637872	190680349	/nfs/dbraw/zinc/68/03/49/190680349.db2.gz	BFPXBGGQTCTCKT-UHFFFAOYSA-N	0	0	315.395	2.494	10	5		DEBERN
CC[C@H](C)N(CC)S(=O)(=O)c1cccc(NC)c1[N+](=O)[O-]	ZINC000126907513	185902901	/nfs/dbraw/zinc/90/29/01/185902901.db2.gz	HQRBMTSKFVVVTL-JTQLQIEISA-N	0	0	315.395	2.446	10	5		DEBERN
O=[N+]([O-])c1ccc(F)c(S(=O)(=O)NC2CCCCC2)c1	ZINC000083927175	192390617	/nfs/dbraw/zinc/39/06/17/192390617.db2.gz	CKCYFNLRNMIIDL-UHFFFAOYSA-N	0	0	302.327	2.345	10	5		DEBERN
CCOC(=O)c1ccnc(NCc2cscn2)c1[N+](=O)[O-]	ZINC000133686913	186007276	/nfs/dbraw/zinc/00/72/76/186007276.db2.gz	FGUWWDHSWQNBBS-UHFFFAOYSA-N	0	0	308.319	2.235	10	5		DEBERN
C[C@@H](NC(=O)c1cc(Cl)c(NN)c([N+](=O)[O-])c1)C1CCC1	ZINC000138134727	186014505	/nfs/dbraw/zinc/01/45/05/186014505.db2.gz	ZONNXLJBXLYCPL-SSDOTTSWSA-N	0	0	312.757	2.452	10	5		DEBERN
O=[N+]([O-])c1cc(CO)ccc1OCc1cn2ccsc2n1	ZINC000148774897	186045453	/nfs/dbraw/zinc/04/54/53/186045453.db2.gz	WISXARZRGLCXBV-UHFFFAOYSA-N	0	0	305.315	2.375	10	5		DEBERN
CCCCN(CCCC)C(=O)Cn1cc([N+](=O)[O-])cc(C)c1=O	ZINC000155789209	186112852	/nfs/dbraw/zinc/11/28/52/186112852.db2.gz	LFQHZFXFUHFVFA-UHFFFAOYSA-N	0	0	323.393	2.494	10	5		DEBERN
COC(=O)c1cc(C)nc(NC[C@@H]2CCCC[C@@H]2O)c1[N+](=O)[O-]	ZINC000287163229	219352299	/nfs/dbraw/zinc/35/22/99/219352299.db2.gz	FUNNWJXENFFSHP-JQWIXIFHSA-N	0	0	323.349	2.048	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(CC(=O)N(CC(C)C)CC(C)C)c1=O	ZINC000155877372	186120251	/nfs/dbraw/zinc/12/02/51/186120251.db2.gz	BGXNHGMCYFZNEJ-UHFFFAOYSA-N	0	0	323.393	2.206	10	5		DEBERN
COC(=O)[C@H]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C[C@H]1C	ZINC000191866200	186266673	/nfs/dbraw/zinc/26/66/73/186266673.db2.gz	AAMQYODUFLQSQH-RISCZKNCSA-N	0	0	320.345	2.174	10	5		DEBERN
Cc1cc(N2CCO[C@@H](c3nccs3)C2)ncc1[N+](=O)[O-]	ZINC000266860109	186362408	/nfs/dbraw/zinc/36/24/08/186362408.db2.gz	WIFKNXCIDWQVNJ-LLVKDONJSA-N	0	0	306.347	2.333	10	5		DEBERN
O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCOC1	ZINC000172488309	198105077	/nfs/dbraw/zinc/10/50/77/198105077.db2.gz	SSXRYFWCILAZSM-AWEZNQCLSA-N	0	0	321.377	2.396	10	5		DEBERN
Cc1ncc([N+](=O)[O-])n1CC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000007344485	354002057	/nfs/dbraw/zinc/00/20/57/354002057.db2.gz	ZMGHUHFZBXOCGE-UHFFFAOYSA-N	0	0	318.377	2.185	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C)CC1	ZINC000030493776	354124723	/nfs/dbraw/zinc/12/47/23/354124723.db2.gz	KBYRWUJRDXLIMW-UHFFFAOYSA-N	0	0	314.363	2.024	10	5		DEBERN
Cc1ccc(CN(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)o1	ZINC000045797277	354263682	/nfs/dbraw/zinc/26/36/82/354263682.db2.gz	CXTZGBZIFQITGK-UHFFFAOYSA-N	0	0	324.358	2.458	10	5		DEBERN
NS(=O)(=O)c1cc(NCC2CCCCC2)cc([N+](=O)[O-])c1	ZINC000077291149	355195797	/nfs/dbraw/zinc/19/57/97/355195797.db2.gz	HMCVYAXVNNLISR-UHFFFAOYSA-N	0	0	313.379	2.234	10	5		DEBERN
O=C(CS(=O)(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1	ZINC000005189943	181214788	/nfs/dbraw/zinc/21/47/88/181214788.db2.gz	SOZLXIHTPIBWIQ-UHFFFAOYSA-N	0	0	320.326	2.007	10	5		DEBERN
CCN(C[C@@H]1CCOC1)C(=O)c1ccnc(Cl)c1[N+](=O)[O-]	ZINC000085684911	192521247	/nfs/dbraw/zinc/52/12/47/192521247.db2.gz	AVNSSFYCOFUHNA-VIFPVBQESA-N	0	0	313.741	2.142	10	5		DEBERN
CCC(CC)(COc1ccc([N+](=O)[O-])cc1)CS(N)(=O)=O	ZINC000086520627	192579913	/nfs/dbraw/zinc/57/99/13/192579913.db2.gz	WJSRDLYCNHSPDZ-UHFFFAOYSA-N	0	0	316.379	2.069	10	5		DEBERN
O=[N+]([O-])c1cc(F)cnc1N1CCN(Cc2ccccc2)CC1	ZINC000401188773	356725409	/nfs/dbraw/zinc/72/54/09/356725409.db2.gz	OUBVFOVYPUMLQY-UHFFFAOYSA-N	0	0	316.336	2.451	10	5		DEBERN
CC(C)N(CCCn1ccc(=O)c([N+](=O)[O-])c1)CC(F)(F)F	ZINC000180323916	199145463	/nfs/dbraw/zinc/14/54/63/199145463.db2.gz	JLPWZKMSOJRVBC-UHFFFAOYSA-N	0	0	321.299	2.419	10	5		DEBERN
COc1cc(C(=O)N2CC[C@@H](C)[C@H](OC)C2)ccc1[N+](=O)[O-]	ZINC000187817790	200161192	/nfs/dbraw/zinc/16/11/92/200161192.db2.gz	CSKKPRATCNXKJG-QMTHXVAHSA-N	0	0	308.334	2.100	10	5		DEBERN
C=C/C(C)=C\CC(=O)NCC(=O)c1ccc(OC)c([N+](=O)[O-])c1	ZINC000601737070	360128734	/nfs/dbraw/zinc/12/87/34/360128734.db2.gz	KMNSWXGXBYHTCX-WZUFQYTHSA-N	0	0	318.329	2.425	10	5		DEBERN
CCn1nccc1CCOc1ccc(C(=O)OC)cc1[N+](=O)[O-]	ZINC000189462444	200405983	/nfs/dbraw/zinc/40/59/83/200405983.db2.gz	NYUKFSNQMDMVRF-UHFFFAOYSA-N	0	0	319.317	2.219	10	5		DEBERN
CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](O)c1ccccc1OC	ZINC000192494727	200888377	/nfs/dbraw/zinc/88/83/77/200888377.db2.gz	RIXSBWREVPACIB-GFCCVEGCSA-N	0	0	320.349	2.274	10	5		DEBERN
COc1ccc(CC(=O)Nc2c(C)nn(C)c2C)cc1[N+](=O)[O-]	ZINC000609016958	361275971	/nfs/dbraw/zinc/27/59/71/361275971.db2.gz	NVLFJCMOJFEJRR-UHFFFAOYSA-N	0	0	318.333	2.135	10	5		DEBERN
COC(=O)CC1(NC(=O)c2ccccc2[N+](=O)[O-])CCCC1	ZINC000193889122	201138472	/nfs/dbraw/zinc/13/84/72/201138472.db2.gz	LBPHAUHLVDZWPX-UHFFFAOYSA-N	0	0	306.318	2.201	10	5		DEBERN
CC(=O)c1ccc2c(c1)CCN(c1c([N+](=O)[O-])ncn1C)CC2	ZINC000611116290	361528965	/nfs/dbraw/zinc/52/89/65/361528965.db2.gz	YECHRQBRSNLHKL-UHFFFAOYSA-N	0	0	314.345	2.136	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(C2CC2)C(=O)C1	ZINC000611516237	361619736	/nfs/dbraw/zinc/61/97/36/361619736.db2.gz	BYGQYFWNMBUKDX-LBPRGKRZSA-N	0	0	303.362	2.271	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](c3cnn(C)c3)C2)n1	ZINC000611616363	361645262	/nfs/dbraw/zinc/64/52/62/361645262.db2.gz	JEQHYIFDRDBWHB-GFCCVEGCSA-N	0	0	301.350	2.334	10	5		DEBERN
CCCNC(=O)[C@H]1CCCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1	ZINC000611616367	361645380	/nfs/dbraw/zinc/64/53/80/361645380.db2.gz	YRDVFLMOIKKEBU-ZDUSSCGKSA-N	0	0	320.393	2.349	10	5		DEBERN
O=[N+]([O-])c1ccc(N2CC[C@@H](c3nc(C4CC4)no3)C2)cn1	ZINC000450513335	241914120	/nfs/dbraw/zinc/91/41/20/241914120.db2.gz	AKJBYJUIBLURAL-SNVBAGLBSA-N	0	0	301.306	2.244	10	5		DEBERN
O=C([O-])[C@@]12CCC[C@H]1C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C2	ZINC000262073746	203190555	/nfs/dbraw/zinc/19/05/55/203190555.db2.gz	DGINRRCATOKDNS-XHDPSFHLSA-N	0	0	308.309	2.421	10	5		DEBERN
O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)c1cc(F)c(F)cc1[N+](=O)[O-]	ZINC000188658074	284142267	/nfs/dbraw/zinc/14/22/67/284142267.db2.gz	QFFHWJLHPOEOKM-QUUYKZCZSA-N	0	0	312.272	2.170	10	5		DEBERN
CC[C@H](C)CN(CC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1N	ZINC000093265206	193223199	/nfs/dbraw/zinc/22/31/99/193223199.db2.gz	DYUOJCFCYBQSEH-JTQLQIEISA-N	0	0	315.395	2.234	10	5		DEBERN
CCOC(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)OCC	ZINC000093447567	193252355	/nfs/dbraw/zinc/25/23/55/193252355.db2.gz	PUQHGWHAZOBOQG-UHFFFAOYSA-N	0	0	316.741	2.377	10	5		DEBERN
CC(C)(CNCc1c(Cl)cccc1[N+](=O)[O-])S(C)(=O)=O	ZINC000093519705	193263235	/nfs/dbraw/zinc/26/32/35/193263235.db2.gz	XQNOFQAFXIBYDO-UHFFFAOYSA-N	0	0	320.798	2.161	10	5		DEBERN
CCC(CC)(CO)NC(=O)c1c(F)ccc([N+](=O)[O-])c1F	ZINC000094190741	193347584	/nfs/dbraw/zinc/34/75/84/193347584.db2.gz	KSAIABGJOSBZOF-UHFFFAOYSA-N	0	0	302.277	2.154	10	5		DEBERN
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C(C)C	ZINC000094780013	193397379	/nfs/dbraw/zinc/39/73/79/193397379.db2.gz	LPNYVSWZECTZBH-VIFPVBQESA-N	0	0	304.343	2.365	10	5		DEBERN
CO[C@]1(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CCSC1	ZINC000096364343	193616199	/nfs/dbraw/zinc/61/61/99/193616199.db2.gz	DCYLCDQZZKPCNJ-AWEZNQCLSA-N	0	0	310.375	2.155	10	5		DEBERN
CCN(CC)C(=S)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	ZINC000009229590	181608367	/nfs/dbraw/zinc/60/83/67/181608367.db2.gz	FISDCAKULPPFJM-JXMROGBWSA-N	0	0	307.375	2.351	10	5		DEBERN
CC(=O)c1ccc(N2CC[C@](O)(C(F)(F)F)C2)c([N+](=O)[O-])c1	ZINC000266059581	205066135	/nfs/dbraw/zinc/06/61/35/205066135.db2.gz	YSVHBDBDYSBKDA-GFCCVEGCSA-N	0	0	318.251	2.301	10	5		DEBERN
NC(=O)c1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1	ZINC000161566232	197504817	/nfs/dbraw/zinc/50/48/17/197504817.db2.gz	HAXYUZVBYHQKSH-UHFFFAOYSA-N	0	0	324.296	2.427	10	5		DEBERN
CCSCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(NN)c1	ZINC000160763407	197437580	/nfs/dbraw/zinc/43/75/80/197437580.db2.gz	WGYPIOUZWBHRFT-VIFPVBQESA-N	0	0	312.395	2.142	10	5		DEBERN
COc1ccc(Oc2ncnc(-n3ccnc3)c2[N+](=O)[O-])cc1	ZINC000040661630	183114919	/nfs/dbraw/zinc/11/49/19/183114919.db2.gz	SKFFVYBTMWMFTF-UHFFFAOYSA-N	0	0	313.273	2.371	10	5		DEBERN
COc1ccc(OC)c(Nc2ncnc(N(C)C)c2[N+](=O)[O-])c1	ZINC000040608353	183108854	/nfs/dbraw/zinc/10/88/54/183108854.db2.gz	UCCLSJSEIRSPGR-UHFFFAOYSA-N	0	0	319.321	2.212	10	5		DEBERN
CC(=O)c1ccc(Nc2[nH]cnc(=NN(C)C)c2[N+](=O)[O-])cc1	ZINC000040628750	183110953	/nfs/dbraw/zinc/11/09/53/183110953.db2.gz	MKSLDRCMYSXLLS-UHFFFAOYSA-N	0	0	316.321	2.220	10	5		DEBERN
Cc1cnn(C[C@@H]2CN(Cc3csc([N+](=O)[O-])c3)CCO2)c1	ZINC000105892653	194161108	/nfs/dbraw/zinc/16/11/08/194161108.db2.gz	PRPBNOVONWKYAH-ZDUSSCGKSA-N	0	0	322.390	2.062	10	5		DEBERN
CCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC	ZINC000050633445	183791866	/nfs/dbraw/zinc/79/18/66/183791866.db2.gz	PRYCRSZBWKOSTA-UHFFFAOYSA-N	0	0	301.368	2.105	10	5		DEBERN
CNc1ccc(S(=O)(=O)N(C)[C@H](C)C2CC2)c([N+](=O)[O-])c1	ZINC000050658047	183796002	/nfs/dbraw/zinc/79/60/02/183796002.db2.gz	VADJPYABZQFONC-SECBINFHSA-N	0	0	313.379	2.056	10	5		DEBERN
Cc1n[nH]c(C)c1NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1	ZINC000050703167	183801041	/nfs/dbraw/zinc/80/10/41/183801041.db2.gz	PDFFBTDRUGRXPN-UHFFFAOYSA-N	0	0	309.713	2.423	10	5		DEBERN
O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1CCCC[C@H]1O	ZINC000052005921	183846965	/nfs/dbraw/zinc/84/69/65/183846965.db2.gz	GQGNRRZAXABILE-PSASIEDQSA-N	0	0	316.155	2.468	10	5		DEBERN
CN(CCn1cccn1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000111037560	194386723	/nfs/dbraw/zinc/38/67/23/194386723.db2.gz	JTBHEUNYVSVLQO-UHFFFAOYSA-N	0	0	313.317	2.045	10	5		DEBERN
[NH3+][C@H](CCOc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000062595538	184244176	/nfs/dbraw/zinc/24/41/76/184244176.db2.gz	AQCTUNVULWWHOY-MRVPVSSYSA-N	0	0	309.105	2.082	10	5		DEBERN
Cc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1	ZINC000064241412	184293275	/nfs/dbraw/zinc/29/32/75/184293275.db2.gz	DKZNUHBJUGMZQE-UHFFFAOYSA-N	0	0	312.372	2.443	10	5		DEBERN
C[C@@H](C[C@](C)([NH3+])C(=O)[O-])Oc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000068658258	184496648	/nfs/dbraw/zinc/49/66/48/184496648.db2.gz	IPIAQEJSVFKPMX-MADCSZMMSA-N	0	0	302.714	2.208	10	5		DEBERN
CCC[NH2+][C@H](CCOc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-]	ZINC000069508203	184520928	/nfs/dbraw/zinc/52/09/28/184520928.db2.gz	UYNGMWSDBQTBPX-LLVKDONJSA-N	0	0	316.741	2.470	10	5		DEBERN
CC(C)[NH2+][C@@H](COc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-]	ZINC000069508123	184521065	/nfs/dbraw/zinc/52/10/65/184521065.db2.gz	PBTRHHIVLNCZIO-JTQLQIEISA-N	0	0	302.714	2.078	10	5		DEBERN
Cc1cc([N+](=O)[O-])c(Cl)cc1N[C@@H]1CCS(=O)(=O)C1	ZINC000159196147	197334837	/nfs/dbraw/zinc/33/48/37/197334837.db2.gz	CBLZMJNHICILJT-MRVPVSSYSA-N	0	0	304.755	2.156	10	5		DEBERN
O=[N+]([O-])c1cnc(N[C@H]2C[C@H]3CC[C@@H]2O3)c(Br)c1	ZINC000158707203	197295660	/nfs/dbraw/zinc/29/56/60/197295660.db2.gz	PKEWLEXDWUQFEE-JEZHCXPESA-N	0	0	314.139	2.484	10	5		DEBERN
CCNc1ncnc(-n2cc(C(F)(F)F)cn2)c1[N+](=O)[O-]	ZINC000157837792	197219638	/nfs/dbraw/zinc/21/96/38/197219638.db2.gz	JJFFDBSIUKJIAF-UHFFFAOYSA-N	0	0	302.216	2.021	10	5		DEBERN
COc1cc([N+](=O)[O-])ccc1NC(=O)c1nnc(Cl)s1	ZINC000157157018	197166861	/nfs/dbraw/zinc/16/68/61/197166861.db2.gz	WSMGAKKCMRZBIK-UHFFFAOYSA-N	0	0	314.710	2.361	10	5		DEBERN
CSC[C@@H](C)CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000157196290	197169212	/nfs/dbraw/zinc/16/92/12/197169212.db2.gz	DSWVCABJTFNIHC-QMMMGPOBSA-N	0	0	322.383	2.011	10	5		DEBERN
CNc1c(Cl)cc(C(=O)N[C@H]2CCO[C@@H]2C)cc1[N+](=O)[O-]	ZINC000156894475	197148688	/nfs/dbraw/zinc/14/86/88/197148688.db2.gz	CRFDCMFKBBYMON-XCBNKYQSSA-N	0	0	313.741	2.197	10	5		DEBERN
CCO[C@@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)C12CCCC2	ZINC000156881419	197147147	/nfs/dbraw/zinc/14/71/47/197147147.db2.gz	YULIEWPPSKZXQU-VXGBXAGGSA-N	0	0	321.381	2.141	10	5		DEBERN
CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H](C)CO	ZINC000156837171	197143888	/nfs/dbraw/zinc/14/38/88/197143888.db2.gz	LWTCKPFWHSPVKY-UWVGGRQHSA-N	0	0	312.391	2.454	10	5		DEBERN
O=C(NC[C@H]1CCC[C@@H]1CO)c1cccc(Cl)c1[N+](=O)[O-]	ZINC000155981570	197077941	/nfs/dbraw/zinc/07/79/41/197077941.db2.gz	MHBCMXLFNMKXNM-NXEZZACHSA-N	0	0	312.753	2.387	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCCN1CCCC1=O	ZINC000122437074	195450955	/nfs/dbraw/zinc/45/09/55/195450955.db2.gz	JCPJIEDLJUXNPJ-UHFFFAOYSA-N	0	0	320.349	2.037	10	5		DEBERN
Cc1cc(N)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C(C)(C)C	ZINC000123471148	195585286	/nfs/dbraw/zinc/58/52/86/195585286.db2.gz	AIIBWGOQLXAJAQ-SECBINFHSA-N	0	0	315.395	2.198	10	5		DEBERN
CSc1ccc(C(=O)NC[C@@H](CO)C2CC2)cc1[N+](=O)[O-]	ZINC000359822699	133147179	/nfs/dbraw/zinc/14/71/79/133147179.db2.gz	NKPOKQHIDZNJPY-NSHDSACASA-N	0	0	310.375	2.065	10	5		DEBERN
O=C1CCCCN1CC1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC000362648862	133243136	/nfs/dbraw/zinc/24/31/36/133243136.db2.gz	LHODZHDVLZBSLC-UHFFFAOYSA-N	0	0	318.377	2.219	10	5		DEBERN
Cc1nc(CN(C)C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)no1	ZINC000564031737	292083540	/nfs/dbraw/zinc/08/35/40/292083540.db2.gz	XMKRJLFCMYKHRA-VIFPVBQESA-N	0	0	304.306	2.048	10	5		DEBERN
O=C(CCn1cc([N+](=O)[O-])cn1)NCc1ccc(C2CC2)cc1	ZINC000191310176	145055737	/nfs/dbraw/zinc/05/57/37/145055737.db2.gz	OAYBPNDOWJDZID-UHFFFAOYSA-N	0	0	314.345	2.375	10	5		DEBERN
CNC(=O)c1ccccc1OCCOc1ccccc1[N+](=O)[O-]	ZINC000192811448	145079694	/nfs/dbraw/zinc/07/96/94/145079694.db2.gz	YUDDONGWYGFASW-UHFFFAOYSA-N	0	0	316.313	2.412	10	5		DEBERN
CCOc1ccc(C(=O)N[C@H](CO)CC2CCC2)cc1[N+](=O)[O-]	ZINC000359301455	147302911	/nfs/dbraw/zinc/30/29/11/147302911.db2.gz	HHGXPTPMSFGKKV-ZDUSSCGKSA-N	0	0	322.361	2.274	10	5		DEBERN
CO[C@H]1CC[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2C)C1	ZINC000359311218	147304788	/nfs/dbraw/zinc/30/47/88/147304788.db2.gz	SYETVBKPPDLWMB-OLZOCXBDSA-N	0	0	307.350	2.270	10	5		DEBERN
CNc1c(C(=O)Nc2ccc(N(C)C)nc2)cccc1[N+](=O)[O-]	ZINC000361121877	147450158	/nfs/dbraw/zinc/45/01/58/147450158.db2.gz	JDGONLFABWENKD-UHFFFAOYSA-N	0	0	315.333	2.350	10	5		DEBERN
Cc1nn(C)c(N2CCC(c3nccc(C)n3)CC2)c1[N+](=O)[O-]	ZINC000371824780	148143730	/nfs/dbraw/zinc/14/37/30/148143730.db2.gz	XYSGWOMYUWSMLT-UHFFFAOYSA-N	0	0	316.365	2.119	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1nncn1C(C)C	ZINC000112292461	401736837	/nfs/dbraw/zinc/73/68/37/401736837.db2.gz	URCRDLMBGXSQOU-UHFFFAOYSA-N	0	0	303.322	2.006	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@]2(O)CCCC[C@H]2C1	ZINC000127737392	401748023	/nfs/dbraw/zinc/74/80/23/401748023.db2.gz	GQYIYGDAKIRIFL-IINYFYTJSA-N	0	0	310.375	2.424	10	5		DEBERN
CC(C)n1nnnc1CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1	ZINC000130052272	401816738	/nfs/dbraw/zinc/81/67/38/401816738.db2.gz	QSYAWPHZRFNFFM-UHFFFAOYSA-N	0	0	316.365	2.327	10	5		DEBERN
COc1ccc(C(=O)NCc2cccc(C)n2)cc1[N+](=O)[O-]	ZINC000130344326	401828188	/nfs/dbraw/zinc/82/81/88/401828188.db2.gz	KJCWYYUODICQTF-UHFFFAOYSA-N	0	0	301.302	2.237	10	5		DEBERN
Cc1ccc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1[N+](=O)[O-]	ZINC000116116251	401842488	/nfs/dbraw/zinc/84/24/88/401842488.db2.gz	UNGHFPCEZKPCKN-ZDUSSCGKSA-N	0	0	314.345	2.266	10	5		DEBERN
O=[N+]([O-])c1ccc(Sc2nnnn2Cc2ccccc2)nc1	ZINC000014855528	401813904	/nfs/dbraw/zinc/81/39/04/401813904.db2.gz	WITFFZAFIYLOJN-UHFFFAOYSA-N	0	0	314.330	2.176	10	5		DEBERN
CN(C)c1ncccc1N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000079722853	401879989	/nfs/dbraw/zinc/87/99/89/401879989.db2.gz	MUQGBJULEIQTHI-UHFFFAOYSA-N	0	0	314.345	2.261	10	5		DEBERN
CCC(C)(C)[C@@H]1CCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000133398364	401885040	/nfs/dbraw/zinc/88/50/40/401885040.db2.gz	RVADIIKFPMZBMI-ZDUSSCGKSA-N	0	0	321.377	2.184	10	5		DEBERN
Cc1c(NC(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cccc1[N+](=O)[O-]	ZINC000119487238	401953602	/nfs/dbraw/zinc/95/36/02/401953602.db2.gz	AKUFVNAKKATGBA-GXSJLCMTSA-N	0	0	320.349	2.021	10	5		DEBERN
CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000048698885	402006193	/nfs/dbraw/zinc/00/61/93/402006193.db2.gz	OHRKRHVPXCMQGZ-MRVPVSSYSA-N	0	0	313.741	2.347	10	5		DEBERN
O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCOCC12CCC2	ZINC000152049767	402072853	/nfs/dbraw/zinc/07/28/53/402072853.db2.gz	WNPXOSZLOFGOIH-UHFFFAOYSA-N	0	0	315.329	2.471	10	5		DEBERN
O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1C[C@H]1C1CCCCC1	ZINC000122459981	402079359	/nfs/dbraw/zinc/07/93/59/402079359.db2.gz	HANYFRHAJBXXCW-KBPBESRZSA-N	0	0	306.366	2.124	10	5		DEBERN
O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CCOC2)C1	ZINC000153495791	402148696	/nfs/dbraw/zinc/14/86/96/402148696.db2.gz	GAGXNUCTXRGGPT-DWTRPJMMSA-N	0	0	302.330	2.247	10	5		DEBERN
Cc1cccc(CNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)n1	ZINC000123921573	402154068	/nfs/dbraw/zinc/15/40/68/402154068.db2.gz	CHVSAHXVBKCCSC-UHFFFAOYSA-N	0	0	321.358	2.314	10	5		DEBERN
O=C(N[C@H]1CCCc2cc(F)ccc21)c1[nH]ncc1[N+](=O)[O-]	ZINC000153864753	402176417	/nfs/dbraw/zinc/17/64/17/402176417.db2.gz	BKBVLQYTLATXKQ-NSHDSACASA-N	0	0	304.281	2.264	10	5		DEBERN
Cc1cnc(CCN(C)C(=O)c2cccc([N+](=O)[O-])c2N)s1	ZINC000125674628	402244943	/nfs/dbraw/zinc/24/49/43/402244943.db2.gz	PIHAIDOABKDHBG-UHFFFAOYSA-N	0	0	320.374	2.257	10	5		DEBERN
COC(=O)N[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C	ZINC000108153078	402247358	/nfs/dbraw/zinc/24/73/58/402247358.db2.gz	SPCFBFRKTJABRC-GFCCVEGCSA-N	0	0	309.322	2.222	10	5		DEBERN
Cc1c(F)cc(S(=O)(=O)N(C)CC2CCC2)cc1[N+](=O)[O-]	ZINC000184604250	402282954	/nfs/dbraw/zinc/28/29/54/402282954.db2.gz	CZIAOYJUKIFUIH-UHFFFAOYSA-N	0	0	316.354	2.463	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2	ZINC000184915969	402309284	/nfs/dbraw/zinc/30/92/84/402309284.db2.gz	DJRYKMSBKHISLS-OLVGNFTPSA-N	0	0	302.330	2.434	10	5		DEBERN
Cc1cc(N2CC[C@@H](C(=O)OC(C)(C)C)C2)ncc1[N+](=O)[O-]	ZINC000176954669	402354080	/nfs/dbraw/zinc/35/40/80/402354080.db2.gz	JRAPJTKPFBOSLA-LLVKDONJSA-N	0	0	307.350	2.466	10	5		DEBERN
COC(=O)[C@@]1(C)CCCN1Cc1ccc(OC)c([N+](=O)[O-])c1	ZINC000186315293	402420606	/nfs/dbraw/zinc/42/06/06/402420606.db2.gz	MMCWYSNQBSVSCO-OAHLLOKOSA-N	0	0	308.334	2.131	10	5		DEBERN
CCN(CC(F)F)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000186448135	402431823	/nfs/dbraw/zinc/43/18/23/402431823.db2.gz	SJMPQTXJZNSUNR-UHFFFAOYSA-N	0	0	312.269	2.010	10	5		DEBERN
CC[C@H](NC(=O)CCc1nc(C)no1)c1cccc([N+](=O)[O-])c1	ZINC000177781451	402435697	/nfs/dbraw/zinc/43/56/97/402435697.db2.gz	IHYVKRYOASTNKO-ZDUSSCGKSA-N	0	0	318.333	2.486	10	5		DEBERN
CC[C@H](NC(=O)c1ccc(=O)n(C)c1)c1cccc([N+](=O)[O-])c1	ZINC000177787212	402436413	/nfs/dbraw/zinc/43/64/13/402436413.db2.gz	AKPZFJPDKDRIPS-AWEZNQCLSA-N	0	0	315.329	2.175	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H](Oc2ccccn2)C1	ZINC000238822077	402440526	/nfs/dbraw/zinc/44/05/26/402440526.db2.gz	CWQHMEVVCOSELK-AWEZNQCLSA-N	0	0	313.313	2.283	10	5		DEBERN
Nc1c(C(=O)N[C@@H]2CCOc3ccccc32)cccc1[N+](=O)[O-]	ZINC000178149607	402465575	/nfs/dbraw/zinc/46/55/75/402465575.db2.gz	NODIVZZFUSQUSH-GFCCVEGCSA-N	0	0	313.313	2.431	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(N[C@H]2CCCN(c3cnn(C)c3)C2)n1	ZINC000178237601	402474739	/nfs/dbraw/zinc/47/47/39/402474739.db2.gz	LHGRSIBWVRHOLU-LBPRGKRZSA-N	0	0	316.365	2.113	10	5		DEBERN
COc1cc(C(=O)NC[C@@H]2CCC(C)(C)O2)ccc1[N+](=O)[O-]	ZINC000187356777	402495844	/nfs/dbraw/zinc/49/58/44/402495844.db2.gz	KLUPXOGXOBHLAJ-NSHDSACASA-N	0	0	308.334	2.291	10	5		DEBERN
COc1cc(C(=O)NCCCc2ccccn2)ccc1[N+](=O)[O-]	ZINC000178828962	402544367	/nfs/dbraw/zinc/54/43/67/402544367.db2.gz	FXZIHKOTVTXKET-UHFFFAOYSA-N	0	0	315.329	2.361	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1nc(C)c(C)[nH]c1=O	ZINC000179741559	402599468	/nfs/dbraw/zinc/59/94/68/402599468.db2.gz	RWKVYPAIKUUWSF-UHFFFAOYSA-N	0	0	316.317	2.164	10	5		DEBERN
COCCc1noc(CN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)n1	ZINC000171614877	402601403	/nfs/dbraw/zinc/60/14/03/402601403.db2.gz	LBMRTTRLIMMQKL-NSHDSACASA-N	0	0	320.349	2.360	10	5		DEBERN
O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1C[C@@H]2CC[C@H](O)[C@H]2C1	ZINC000252894487	402661047	/nfs/dbraw/zinc/66/10/47/402661047.db2.gz	ZGZUVXOZHRQDJU-QWRKXWFKSA-N	0	0	310.737	2.091	10	5		DEBERN
CC(C)Cn1ccnc1CNC(=O)c1csc([N+](=O)[O-])c1	ZINC000173032082	402683423	/nfs/dbraw/zinc/68/34/23/402683423.db2.gz	FZGCGIBGSHNMGE-UHFFFAOYSA-N	0	0	308.363	2.439	10	5		DEBERN
CCS[C@H]1CCC[C@H]1NC(=O)c1nn(CC)cc1[N+](=O)[O-]	ZINC000191653728	402684496	/nfs/dbraw/zinc/68/44/96/402684496.db2.gz	HZPGDGVACJFSLK-KOLCDFICSA-N	0	0	312.395	2.215	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1C(=O)NC1CC1	ZINC000183276276	402752481	/nfs/dbraw/zinc/75/24/81/402752481.db2.gz	PPQSOIBLTCYRJP-OAHLLOKOSA-N	0	0	303.362	2.146	10	5		DEBERN
CC(C)OC[C@@H](O)Cn1ccnc1-c1ccc([N+](=O)[O-])cc1	ZINC000193692462	402775502	/nfs/dbraw/zinc/77/55/02/402775502.db2.gz	VXJPIDFEWJRCEN-AWEZNQCLSA-N	0	0	305.334	2.244	10	5		DEBERN
Cn1cc([C@H]2CCCN2C(=O)Nc2ccncc2[N+](=O)[O-])cn1	ZINC000183552062	402775718	/nfs/dbraw/zinc/77/57/18/402775718.db2.gz	ZVOXFGBNQGYSNC-GFCCVEGCSA-N	0	0	316.321	2.092	10	5		DEBERN
CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCS1	ZINC000174046029	402724826	/nfs/dbraw/zinc/72/48/26/402724826.db2.gz	ZDYIFUPREPVUFP-QMMMGPOBSA-N	0	0	322.433	2.172	10	5		DEBERN
Cc1cnc(CCN(C)C(=O)c2cc([N+](=O)[O-])ccc2N)s1	ZINC000184519913	402848931	/nfs/dbraw/zinc/84/89/31/402848931.db2.gz	URYUYCNWDUNMMD-UHFFFAOYSA-N	0	0	320.374	2.257	10	5		DEBERN
COc1cc(N2CC[C@](O)(C(F)(F)F)C2)c([N+](=O)[O-])cc1F	ZINC000268134728	403052427	/nfs/dbraw/zinc/05/24/27/403052427.db2.gz	BCUAYRIQFHFTOD-LLVKDONJSA-N	0	0	324.230	2.246	10	5		DEBERN
COc1cc(N2CCN3CCCC[C@@H]3C2)c(F)cc1[N+](=O)[O-]	ZINC000270603128	403204514	/nfs/dbraw/zinc/20/45/14/403204514.db2.gz	YKJVRXHYUIHOEG-LLVKDONJSA-N	0	0	309.341	2.417	10	5		DEBERN
CN(Cc1cc(Cl)cn1C)c1ccc2ncc([N+](=O)[O-])n2n1	ZINC000301952222	403705438	/nfs/dbraw/zinc/70/54/38/403705438.db2.gz	JHCROOZLCDIYQW-UHFFFAOYSA-N	0	0	320.740	2.266	10	5		DEBERN
C/C(=C/c1nc([C@H](C)NC(N)=O)no1)c1ccc([N+](=O)[O-])cc1	ZINC000350544509	404414357	/nfs/dbraw/zinc/41/43/57/404414357.db2.gz	SFTQBMOLGKAVKY-FUOZMLNRSA-N	0	0	317.305	2.268	10	5		DEBERN
Cc1ccc(S(=O)(=O)N2CCSC[C@@H]2C)c([N+](=O)[O-])c1	ZINC000408205825	405137849	/nfs/dbraw/zinc/13/78/49/405137849.db2.gz	YYTJJUXRTMQNDW-JTQLQIEISA-N	0	0	316.404	2.029	10	5		DEBERN
C[C@H]1CCOCCN1C(=O)CCNc1ccccc1[N+](=O)[O-]	ZINC000367720239	405135126	/nfs/dbraw/zinc/13/51/26/405135126.db2.gz	FNKMJQBUZHGSAP-LBPRGKRZSA-N	0	0	307.350	2.034	10	5		DEBERN
Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCCCO2)cc1C	ZINC000408285103	405161692	/nfs/dbraw/zinc/16/16/92/405161692.db2.gz	COWAXRQUALHNMN-UHFFFAOYSA-N	0	0	314.363	2.318	10	5		DEBERN
COc1cc(NC(=O)COc2ccccc2[N+](=O)[O-])ccc1O	ZINC000438133543	405233645	/nfs/dbraw/zinc/23/36/45/405233645.db2.gz	VJNSAHYWYYLNGT-UHFFFAOYSA-N	0	0	318.285	2.327	10	5		DEBERN
O=[N+]([O-])c1ccc(NCc2nnc(C3CC3)n2C2CC2)cn1	ZINC000445596026	405353122	/nfs/dbraw/zinc/35/31/22/405353122.db2.gz	FBLMYWPQFPLSIZ-UHFFFAOYSA-N	0	0	300.322	2.406	10	5		DEBERN
CC(=O)CSCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C	ZINC000447351833	405411844	/nfs/dbraw/zinc/41/18/44/405411844.db2.gz	SZLQBPDJWRKLOQ-SECBINFHSA-N	0	0	308.359	2.195	10	5		DEBERN
CCc1n[nH]c(=O)c(CNc2ccc([N+](=O)[O-])nc2)c1CC	ZINC000450387017	405870628	/nfs/dbraw/zinc/87/06/28/405870628.db2.gz	INHDVNAZTLZMSF-UHFFFAOYSA-N	0	0	303.322	2.222	10	5		DEBERN
CO[C@@](C)(CO)CNc1ccc([N+](=O)[O-])cc1Br	ZINC000594587910	405889885	/nfs/dbraw/zinc/88/98/85/405889885.db2.gz	AZSYSMNSDYYHHQ-LLVKDONJSA-N	0	0	319.155	2.167	10	5		DEBERN
CCOC(=O)Cc1c(OC)cc(Br)cc1[N+](=O)[O-]	ZINC000575699719	406820734	/nfs/dbraw/zinc/82/07/34/406820734.db2.gz	MJIRKXMSCBERHC-UHFFFAOYSA-N	0	0	318.123	2.472	10	5		DEBERN
COc1cc(I)c(C=O)c([N+](=O)[O-])c1	ZINC000575727055	406825620	/nfs/dbraw/zinc/82/56/20/406825620.db2.gz	BEVKSLJEYACWJT-UHFFFAOYSA-N	0	0	307.043	2.021	10	5		DEBERN
CSC[C@H](C)N(C)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000129171832	196025620	/nfs/dbraw/zinc/02/56/20/196025620.db2.gz	LKXNNPOIWOGGDC-QMMMGPOBSA-N	0	0	322.383	2.106	10	5		DEBERN
C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1	ZINC000131809896	196201224	/nfs/dbraw/zinc/20/12/24/196201224.db2.gz	FAXUBHUBHVLMIQ-SKDRFNHKSA-N	0	0	313.379	2.034	10	5		DEBERN
CNc1cc(S(=O)(=O)N(C)[C@@H](C)C(C)C)ccc1[N+](=O)[O-]	ZINC000131962141	196214657	/nfs/dbraw/zinc/21/46/57/196214657.db2.gz	NUTWTUDSSQDKAD-JTQLQIEISA-N	0	0	315.395	2.302	10	5		DEBERN
CC(C)Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1[N+](=O)[O-]	ZINC000132488299	196259739	/nfs/dbraw/zinc/25/97/39/196259739.db2.gz	RUJXOGIEONUYHZ-QMMMGPOBSA-N	0	0	321.786	2.003	10	5		DEBERN
COC(=O)N[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1	ZINC000133984494	196351560	/nfs/dbraw/zinc/35/15/60/196351560.db2.gz	PQMUTSVWQTUTDT-SNVBAGLBSA-N	0	0	313.741	2.179	10	5		DEBERN
CCOCCC1(CNc2ncc([N+](=O)[O-])cc2C(N)=O)CCC1	ZINC000134014626	196353460	/nfs/dbraw/zinc/35/34/60/196353460.db2.gz	CQKYTLPWODAQIJ-UHFFFAOYSA-N	0	0	322.365	2.098	10	5		DEBERN
COC1CCN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)CC1	ZINC000134030286	196355300	/nfs/dbraw/zinc/35/53/00/196355300.db2.gz	IYIVOTPUNMGZRI-UHFFFAOYSA-N	0	0	300.261	2.124	10	5		DEBERN
CC(C)CONS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000134150096	196365891	/nfs/dbraw/zinc/36/58/91/196365891.db2.gz	SGPADYAQCGBGDW-UHFFFAOYSA-N	0	0	308.743	2.114	10	5		DEBERN
CC[C@@H]1CC[C@H](C)N1S(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1	ZINC000136284000	196530537	/nfs/dbraw/zinc/53/05/37/196530537.db2.gz	UJRSKCSDBXWEOH-VHSXEESVSA-N	0	0	313.379	2.129	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1	ZINC000162577067	224730584	/nfs/dbraw/zinc/73/05/84/224730584.db2.gz	GFECAOHPZAPAOW-GHMZBOCLSA-N	0	0	320.349	2.069	10	5		DEBERN
C[C@@H]1COCC[C@@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000192829676	225144302	/nfs/dbraw/zinc/14/43/02/225144302.db2.gz	DDWYULYVQXADMM-SCZZXKLOSA-N	0	0	304.306	2.082	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(C(F)(F)F)CC2)n1	ZINC000191644144	225114322	/nfs/dbraw/zinc/11/43/22/225114322.db2.gz	WYUMUHJSJJGQEL-UHFFFAOYSA-N	0	0	320.271	2.226	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)c2nc(C)cs2)n1	ZINC000191708007	225116634	/nfs/dbraw/zinc/11/66/34/225116634.db2.gz	ISHMSXVEXOBOBQ-QMMMGPOBSA-N	0	0	323.378	2.110	10	5		DEBERN
CC(C)O[C@@H]1C[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C1(C)C	ZINC000361621710	424845934	/nfs/dbraw/zinc/84/59/34/424845934.db2.gz	NFUZXHSMMWTNMX-WDEREUQCSA-N	0	0	319.365	2.642	10	5		DEBERN
COc1ccc(C(=O)NC[C@H]2CCC(C)(C)O2)cc1[N+](=O)[O-]	ZINC000187364237	267661281	/nfs/dbraw/zinc/66/12/81/267661281.db2.gz	QFDVIETUOVGZAF-LLVKDONJSA-N	0	0	308.334	2.291	10	5		DEBERN
C[C@H]1OCC[C@H]1S(=O)(=O)Oc1cc([N+](=O)[O-])ccc1Cl	ZINC000190207299	278524015	/nfs/dbraw/zinc/52/40/15/278524015.db2.gz	IUZRNQOHLOETMX-RDDDGLTNSA-N	0	0	321.738	2.134	10	5		DEBERN
CCCNC(=O)[C@@H]1CCCN(c2cc(F)ccc2[N+](=O)[O-])C1	ZINC000302822830	278837676	/nfs/dbraw/zinc/83/76/76/278837676.db2.gz	TVHZMULXCIROMQ-LLVKDONJSA-N	0	0	309.341	2.477	10	5		DEBERN
CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000184700576	279132554	/nfs/dbraw/zinc/13/25/54/279132554.db2.gz	NPHCRFCNNILZIV-LLVKDONJSA-N	0	0	309.366	2.007	10	5		DEBERN
O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H](C(F)(F)F)C1	ZINC000193361472	280227887	/nfs/dbraw/zinc/22/78/87/280227887.db2.gz	OGXQUWWRJQRFOS-QMMMGPOBSA-N	0	0	319.239	2.110	10	5		DEBERN
O=[N+]([O-])c1cc(CN2CCS[C@H]3COCC[C@@H]32)cs1	ZINC000135525866	280357580	/nfs/dbraw/zinc/35/75/80/280357580.db2.gz	CWMGPYFCKSOJAM-QWRGUYRKSA-N	0	0	300.405	2.363	10	5		DEBERN
CC(C)CC[C@@](C)(O)CNC(=O)COc1cccc([N+](=O)[O-])c1	ZINC000075130909	281560194	/nfs/dbraw/zinc/56/01/94/281560194.db2.gz	DCDOPTMYXHDZTB-MRXNPFEDSA-N	0	0	324.377	2.277	10	5		DEBERN
Nc1ccc(N2CCN(c3ccc(F)cn3)CC2)c([N+](=O)[O-])c1	ZINC000367840774	295353772	/nfs/dbraw/zinc/35/37/72/295353772.db2.gz	HVUVDNQYXXGJSM-UHFFFAOYSA-N	0	0	317.324	2.038	10	5		DEBERN
COC(=O)[C@@H](c1ccccc1F)c1nc(OC)ccc1[N+](=O)[O-]	ZINC000584661875	337378359	/nfs/dbraw/zinc/37/83/59/337378359.db2.gz	SKBBGSGUJGEWHM-ZDUSSCGKSA-N	0	0	320.276	2.442	10	5		DEBERN
C[C@@H]1CCN(c2cc(CO)ccc2[N+](=O)[O-])C[C@@H]1n1ccnc1	ZINC000302068604	534057775	/nfs/dbraw/zinc/05/77/75/534057775.db2.gz	VAGINPQEEJHXPS-WBMJQRKESA-N	0	0	316.361	2.371	10	5		DEBERN
CNc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(C)CC1	ZINC000050635942	517980497	/nfs/dbraw/zinc/98/04/97/517980497.db2.gz	JKDKYIVPBOBIQX-UHFFFAOYSA-N	0	0	313.379	2.057	10	5		DEBERN
Cc1nn(C)c(C)c1CCCNc1cc(CO)ccc1[N+](=O)[O-]	ZINC000302015010	534814984	/nfs/dbraw/zinc/81/49/84/534814984.db2.gz	BVAROYPUTCVJTM-UHFFFAOYSA-N	0	0	318.377	2.482	10	5		DEBERN
CCOc1ccccc1N(C)C(=O)c1nn(CC)cc1[N+](=O)[O-]	ZINC000191687700	528735461	/nfs/dbraw/zinc/73/54/61/528735461.db2.gz	UWQKFXGXOIYPJH-UHFFFAOYSA-N	0	0	318.333	2.487	10	5		DEBERN
COc1cnccc1[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000189572755	537127400	/nfs/dbraw/zinc/12/74/00/537127400.db2.gz	XPXAHQOEKDQJMV-JTQLQIEISA-N	0	0	301.302	2.489	10	5		DEBERN
CC(=O)N1CCC(COC(=O)c2ccc([N+](=O)[O-])cc2C)CC1	ZINC000734900442	633441786	/nfs/dbraw/zinc/44/17/86/633441786.db2.gz	ZCJLQOQGKWKMRQ-UHFFFAOYSA-N	0	0	320.345	2.319	10	5		DEBERN
COCC(=O)Nc1ccc(Nc2ccc([N+](=O)[O-])nc2)cc1	ZINC000735486409	633512426	/nfs/dbraw/zinc/51/24/26/633512426.db2.gz	BQZXHGKAVMDEBX-UHFFFAOYSA-N	0	0	302.290	2.318	10	5		DEBERN
CCCn1c(=O)[nH]nc1SCc1ccc([N+](=O)[O-])c(F)c1	ZINC000094775581	635610277	/nfs/dbraw/zinc/61/02/77/635610277.db2.gz	XGTCOPUHCABZFS-UHFFFAOYSA-N	0	0	312.326	2.321	10	5		DEBERN
CC(=O)N1CC[C@](C)(C(=O)O[C@H](C)c2ccc([N+](=O)[O-])cc2)C1	ZINC000747113401	638408711	/nfs/dbraw/zinc/40/87/11/638408711.db2.gz	JFSOJTKWXCVYPG-BZNIZROVSA-N	0	0	320.345	2.458	10	5		DEBERN
CC(=O)N1CC[C@@](C)(C(=O)O[C@H](C)c2ccc([N+](=O)[O-])cc2)C1	ZINC000747113399	638409330	/nfs/dbraw/zinc/40/93/30/638409330.db2.gz	JFSOJTKWXCVYPG-BDJLRTHQSA-N	0	0	320.345	2.458	10	5		DEBERN
COC(=O)/C(C)=C\COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21	ZINC000748169722	638520819	/nfs/dbraw/zinc/52/08/19/638520819.db2.gz	JRMVWAIPZQGKIX-UITAMQMPSA-N	0	0	318.285	2.352	10	5		DEBERN
COC(=O)/C(C)=C/COC(=O)CCOc1cccc([N+](=O)[O-])c1	ZINC000748172688	638521210	/nfs/dbraw/zinc/52/12/10/638521210.db2.gz	JOTSQWUGBCOPHP-IZZDOVSWSA-N	0	0	323.301	2.026	10	5		DEBERN
O=C(OCC1CC=CC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	ZINC000750380687	638738126	/nfs/dbraw/zinc/73/81/26/638738126.db2.gz	RZFLBJPAHWKBBU-UHFFFAOYSA-N	0	0	314.301	2.299	10	5		DEBERN
C/C(=C/C(=O)NCC(=O)OC(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000752016098	639146907	/nfs/dbraw/zinc/14/69/07/639146907.db2.gz	XXISLKJOJIDDJQ-FLIBITNWSA-N	0	0	306.318	2.066	10	5		DEBERN
C/C(=C\C(=O)OCC(=O)NC(C)(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000752350744	639174497	/nfs/dbraw/zinc/17/44/97/639174497.db2.gz	VVWAJQAVTRDUTO-PKNBQFBNSA-N	0	0	320.345	2.456	10	5		DEBERN
C/C(=C/C(=O)NCC[C@H](C)[S@@](C)=O)c1ccc([N+](=O)[O-])cc1	ZINC000752579399	639199778	/nfs/dbraw/zinc/19/97/78/639199778.db2.gz	JJTISVZZZMVFSL-XJRKWOHPSA-N	0	0	324.402	2.271	10	5		DEBERN
C/C(=C\C(=O)N[C@@H]1CC(C)(C)OC1=O)c1ccc([N+](=O)[O-])cc1	ZINC000752650008	639206418	/nfs/dbraw/zinc/20/64/18/639206418.db2.gz	AVJVHQHKMHRJCT-AORWBKJGSA-N	0	0	318.329	2.208	10	5		DEBERN
C/C(=C\C(=O)N(C)Cc1noc(C)n1)c1ccc([N+](=O)[O-])cc1	ZINC000752756769	639216610	/nfs/dbraw/zinc/21/66/10/639216610.db2.gz	GKXWIRJKFGGQEL-CSKARUKUSA-N	0	0	316.317	2.348	10	5		DEBERN
C/C(=C/C(=O)N1CC[C@H]([C@H](C)O)C1)c1ccc([N+](=O)[O-])cc1	ZINC000752771890	639218824	/nfs/dbraw/zinc/21/88/24/639218824.db2.gz	MOJHFRCBDCJFOL-PEJGCUSZSA-N	0	0	304.346	2.227	10	5		DEBERN
CC(=O)CCC(=O)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1	ZINC000800398089	645266897	/nfs/dbraw/zinc/26/68/97/645266897.db2.gz	COJAGKHMJDQNAK-NEPJUHHUSA-N	0	0	309.322	2.187	10	5		DEBERN
C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1ccncc1	ZINC000801917779	645461652	/nfs/dbraw/zinc/46/16/52/645461652.db2.gz	PDMKFIVALHICPR-SECBINFHSA-N	0	0	318.308	2.245	10	5		DEBERN
CCn1ccnc1Sc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-]	ZINC000804339935	645758395	/nfs/dbraw/zinc/75/83/95/645758395.db2.gz	GVTPCDODEZGSBK-UHFFFAOYSA-N	0	0	322.346	2.452	10	5		DEBERN
O=C(CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])NC1CCCCC1	ZINC000804390715	645764780	/nfs/dbraw/zinc/76/47/80/645764780.db2.gz	AYNLBBYDJIDURR-UHFFFAOYSA-N	0	0	322.321	2.364	10	5		DEBERN
O=C(CCOC[C@@H]1CCCO1)OCCc1ccccc1[N+](=O)[O-]	ZINC000151247461	646316701	/nfs/dbraw/zinc/31/67/01/646316701.db2.gz	CVNMQQDUFWOPAB-AWEZNQCLSA-N	0	0	323.345	2.266	10	5		DEBERN
C[C@@H]1CCO[C@H]1COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000222037816	646419554	/nfs/dbraw/zinc/41/95/54/646419554.db2.gz	ZLZQWILFRWOBSH-PELKAZGASA-N	0	0	310.262	2.085	10	5		DEBERN
COC(=O)CC(C)(C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000172859643	646752715	/nfs/dbraw/zinc/75/27/15/646752715.db2.gz	CEKBVTOAFNQWBA-UHFFFAOYSA-N	0	0	319.317	2.148	10	5		DEBERN
Cc1cccc([C@@H](O)CNC(=O)c2cc([N+](=O)[O-])cnc2C)c1	ZINC000153442753	647468314	/nfs/dbraw/zinc/46/83/14/647468314.db2.gz	AFENQJUDFZCJTB-HNNXBMFYSA-N	0	0	315.329	2.070	10	5		DEBERN
CC(C)[C@H](OC(=O)c1ccc([N+](=O)[O-])c(F)c1)C(=O)N(C)C	ZINC000731517479	647488721	/nfs/dbraw/zinc/48/87/21/647488721.db2.gz	DCHKCBDSIPQHGW-LBPRGKRZSA-N	0	0	312.297	2.004	10	5		DEBERN
C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)N1CCCCC1	ZINC000076941092	683948066	/nfs/dbraw/zinc/94/80/66/683948066.db2.gz	ZMGHCTZPKQINKB-LBPRGKRZSA-N	0	0	303.362	2.358	10	5		DEBERN
CO[C@@]1(CNC(=O)c2cccc([N+](=O)[O-])c2C)CCSC1	ZINC000096364340	684053614	/nfs/dbraw/zinc/05/36/14/684053614.db2.gz	HXBPRFBWKJXOIA-CQSZACIVSA-N	0	0	310.375	2.155	10	5		DEBERN
Cc1nn(CN2CCC([C@@H](C)O)CC2)c2cc([N+](=O)[O-])ccc12	ZINC000121209388	684106533	/nfs/dbraw/zinc/10/65/33/684106533.db2.gz	AOGJKQGCAFAPPF-GFCCVEGCSA-N	0	0	318.377	2.303	10	5		DEBERN
COc1cccc(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n1	ZINC000128462848	684171269	/nfs/dbraw/zinc/17/12/69/684171269.db2.gz	VDZLPTQWASDFDS-JXMROGBWSA-N	0	0	313.313	2.328	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCn1ccnc1	ZINC000588435692	777180259	/nfs/dbraw/zinc/18/02/59/777180259.db2.gz	DWURSBDWKQADMY-ZRDIBKRKSA-N	0	0	300.318	2.011	10	5		DEBERN
NC(=O)C1CC(Nc2ccc([N+](=O)[O-])cc2Br)C1	ZINC000716698954	793001544	/nfs/dbraw/zinc/00/15/44/793001544.db2.gz	PCMDZKUYLIGNIW-UHFFFAOYSA-N	0	0	314.139	2.033	10	5		DEBERN
Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@H]([C@@]1(C)CO1)O3	ZINC000095630292	185382851	/nfs/dbraw/zinc/38/28/51/185382851.db2.gz	YXQGLAPCZDYVLL-DNVCBOLYSA-N	0	0	323.348	2.490	10	5	endogenous,in-man	DEBERN
Cc1cc([N+](=O)[O-])cn([C@H](C)C(=O)Nc2ccc(F)cc2)c1=O	ZINC000096778151	185387253	/nfs/dbraw/zinc/38/72/53/185387253.db2.gz	LYIBXBVZIZAULQ-SNVBAGLBSA-N	0	0	319.292	2.404	10	5		DEBERN
COC(=O)CCOc1ccc(Br)cc1[N+](=O)[O-]	ZINC000088086172	185239309	/nfs/dbraw/zinc/23/93/09/185239309.db2.gz	BNXKEVMYWRKZTK-UHFFFAOYSA-N	0	0	304.096	2.299	10	5		DEBERN
COc1ncc(C)cc1NC(=O)c1cc([N+](=O)[O-])cnc1C	ZINC000173514501	282191062	/nfs/dbraw/zinc/19/10/62/282191062.db2.gz	FWWIZNZXWFMUEY-UHFFFAOYSA-N	0	0	302.290	2.263	10	5		DEBERN
O=[N+]([O-])c1cc(Cl)ccc1Cn1ncnc1CNC1CC1	ZINC000088629140	185260562	/nfs/dbraw/zinc/26/05/62/185260562.db2.gz	RTTJCKDVQBABPI-UHFFFAOYSA-N	0	0	307.741	2.140	10	5		DEBERN
C[C@@H]1CSCCN1C(=O)c1ccnc(Cl)c1[N+](=O)[O-]	ZINC000088806338	185266221	/nfs/dbraw/zinc/26/62/21/185266221.db2.gz	OGMPJYWYBPSSOJ-SSDOTTSWSA-N	0	0	301.755	2.221	10	5		DEBERN
O=[N+]([O-])c1ccc(N[C@@H]2C=CS(=O)(=O)C2)cc1C(F)(F)F	ZINC000088859215	185267099	/nfs/dbraw/zinc/26/70/99/185267099.db2.gz	MOCMJUZRXRNUPB-MRVPVSSYSA-N	0	0	322.264	2.336	10	5		DEBERN
COC(=O)C[C@@H](C)[S@@](=O)Cc1c(Cl)cccc1[N+](=O)[O-]	ZINC000090101791	185282167	/nfs/dbraw/zinc/28/21/67/185282167.db2.gz	URCXONACCCGKKA-ZPWHCFADSA-N	0	0	319.766	2.449	10	5		DEBERN
COC(=O)[C@@H](C)C[S@@](=O)Cc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000090105164	185282532	/nfs/dbraw/zinc/28/25/32/185282532.db2.gz	UFRCVFYUTISMSM-FHZGZLOMSA-N	0	0	319.766	2.306	10	5		DEBERN
COCc1cncc(C(=O)NCc2ccc([N+](=O)[O-])cc2)c1	ZINC000613178627	362028729	/nfs/dbraw/zinc/02/87/29/362028729.db2.gz	PYCHWRICJNAGHA-UHFFFAOYSA-N	0	0	301.302	2.066	10	5		DEBERN
COc1cc(CN2CCOCC3(CC3)C2)c([N+](=O)[O-])cc1F	ZINC000613384125	362096595	/nfs/dbraw/zinc/09/65/95/362096595.db2.gz	WJZBFVNCUVMOCA-UHFFFAOYSA-N	0	0	310.325	2.355	10	5		DEBERN
CC[C@H](NC(=O)NCc1cnn(C)c1)c1cccc([N+](=O)[O-])c1	ZINC000090551115	185302418	/nfs/dbraw/zinc/30/24/18/185302418.db2.gz	IQBYNSASVARXTP-AWEZNQCLSA-N	0	0	317.349	2.279	10	5		DEBERN
CCc1ccc(O)c(NC(=O)c2nn(CC)cc2[N+](=O)[O-])c1	ZINC000191877443	529693184	/nfs/dbraw/zinc/69/31/84/529693184.db2.gz	FBNGGINYIRVASZ-UHFFFAOYSA-N	0	0	304.306	2.332	10	5		DEBERN
COc1cc(NCC[C@H](C)[S@](C)=O)c([N+](=O)[O-])cc1OC	ZINC000167390561	197708150	/nfs/dbraw/zinc/70/81/50/197708150.db2.gz	XQYTUFPQTUAQBO-JLTPVHFHSA-N	0	0	316.379	2.181	10	5		DEBERN
CC[C@@H](NC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1)C(=O)OC	ZINC000183071854	199531726	/nfs/dbraw/zinc/53/17/26/199531726.db2.gz	FAVAXPUAVHZACZ-WTNCMQEWSA-N	0	0	306.318	2.066	10	5		DEBERN
O=[N+]([O-])c1cc([C@H]2NN=C3[C@H]2N2CCC3CC2)ccc1Cl	ZINC000169966433	197763079	/nfs/dbraw/zinc/76/30/79/197763079.db2.gz	FTZCZGXHGAFBEV-ZIAGYGMSSA-N	0	0	306.753	2.343	10	5		DEBERN
CCNc1ccc(S(=O)(=O)N(C)C(C)C)c([N+](=O)[O-])c1	ZINC000050639720	190680560	/nfs/dbraw/zinc/68/05/60/190680560.db2.gz	SWESTPSFBZCTPN-UHFFFAOYSA-N	0	0	301.368	2.056	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C)[C@@H]1C	ZINC000248367072	282506152	/nfs/dbraw/zinc/50/61/52/282506152.db2.gz	SWOGWHXCHSCHCJ-UWVGGRQHSA-N	0	0	314.363	2.022	10	5		DEBERN
Cc1c(F)cc(S(=O)(=O)N2CC[C@H](C)[C@H]2C)cc1[N+](=O)[O-]	ZINC000248466961	282511483	/nfs/dbraw/zinc/51/14/83/282511483.db2.gz	DYHQYQMNENZSEZ-WCBMZHEXSA-N	0	0	316.354	2.461	10	5		DEBERN
CNc1cccc(S(=O)(=O)N(C)[C@H](C)C(C)C)c1[N+](=O)[O-]	ZINC000126926971	185904846	/nfs/dbraw/zinc/90/48/46/185904846.db2.gz	QKLMOUCXEKDSDV-SNVBAGLBSA-N	0	0	315.395	2.302	10	5		DEBERN
COC(=O)[C@H](C)CN(C(=O)c1ccc([N+](=O)[O-])cc1)C(C)C	ZINC000071638332	190996429	/nfs/dbraw/zinc/99/64/29/190996429.db2.gz	QLZGULWWCOXLAZ-LLVKDONJSA-N	0	0	308.334	2.255	10	5		DEBERN
CC[C@H](Oc1c(Br)cccc1[N+](=O)[O-])C(N)=O	ZINC000133631575	186001275	/nfs/dbraw/zinc/00/12/75/186001275.db2.gz	CPVXTGUTYZOPQR-QMMMGPOBSA-N	0	0	303.112	2.000	10	5		DEBERN
CC(C)(C)[C@@H](O)CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1	ZINC000139533810	186023337	/nfs/dbraw/zinc/02/33/37/186023337.db2.gz	WAULVKFYBGNFDM-NSHDSACASA-N	0	0	300.742	2.385	10	5		DEBERN
CS(=O)(=O)c1cccc(Oc2cccc(O)c2)c1[N+](=O)[O-]	ZINC000149264594	186048529	/nfs/dbraw/zinc/04/85/29/186048529.db2.gz	BZTCZZKNNDNMFG-UHFFFAOYSA-N	0	0	309.299	2.496	10	5		DEBERN
CS(=O)(=O)[C@@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])c(F)c1	ZINC000148765008	186045404	/nfs/dbraw/zinc/04/54/04/186045404.db2.gz	WMOFXEFLNNGWQX-CMPLNLGQSA-N	0	0	302.327	2.112	10	5		DEBERN
Cc1cc(CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)no1	ZINC000172101719	198040208	/nfs/dbraw/zinc/04/02/08/198040208.db2.gz	YKAGTUBOERISBN-VIFPVBQESA-N	0	0	301.302	2.412	10	5		DEBERN
CC(C)(C)[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1	ZINC000280178563	215432540	/nfs/dbraw/zinc/43/25/40/215432540.db2.gz	HSMBVUQRMBQVOP-JTQLQIEISA-N	0	0	306.366	2.351	10	5		DEBERN
CCc1ccc(C(=O)NC[C@H]2CCCC[C@H]2O)cc1[N+](=O)[O-]	ZINC000174281651	198314320	/nfs/dbraw/zinc/31/43/20/198314320.db2.gz	LXIICFITDAOVSC-UKRRQHHQSA-N	0	0	306.362	2.438	10	5		DEBERN
O=C1[C@@H](N2CCCSCC2)CCN1c1cccc([N+](=O)[O-])c1	ZINC000089985813	355551397	/nfs/dbraw/zinc/55/13/97/355551397.db2.gz	ZZFPPLDSVGTFCK-AWEZNQCLSA-N	0	0	321.402	2.139	10	5		DEBERN
Cc1cc2c(cc1[N+](=O)[O-])c(I)nn2C	ZINC000115063221	355767098	/nfs/dbraw/zinc/76/70/98/355767098.db2.gz	PCRZOQXKIOPZEG-UHFFFAOYSA-N	0	0	317.086	2.395	10	5		DEBERN
CC1(C)CCCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000181738599	356093710	/nfs/dbraw/zinc/09/37/10/356093710.db2.gz	GJFJCOQFYOTSTF-UHFFFAOYSA-N	0	0	312.391	2.243	10	5		DEBERN
CCc1cc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)ccc1C	ZINC000183324871	356168274	/nfs/dbraw/zinc/16/82/74/356168274.db2.gz	WPCKBXKWVPPXRE-UHFFFAOYSA-N	0	0	315.329	2.266	10	5		DEBERN
CCO[C@@H]1CCCN(C(=O)c2ccnc(Cl)c2[N+](=O)[O-])C1	ZINC000085684906	192521455	/nfs/dbraw/zinc/52/14/55/192521455.db2.gz	VKJDLHHXXMOODY-SECBINFHSA-N	0	0	313.741	2.284	10	5		DEBERN
Cn1ncc2c1nccc2N1CCc2c(cccc2[N+](=O)[O-])C1	ZINC000579627332	357006781	/nfs/dbraw/zinc/00/67/81/357006781.db2.gz	WAABPBCWBZXFHC-UHFFFAOYSA-N	0	0	309.329	2.439	10	5		DEBERN
CN(C(=O)c1c([N+](=O)[O-])cnn1C)C(C)(C)c1ccccc1	ZINC000586834330	357376094	/nfs/dbraw/zinc/37/60/94/357376094.db2.gz	CCGBYELJESKTBL-UHFFFAOYSA-N	0	0	302.334	2.336	10	5		DEBERN
CC[C@H]1CCN(S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)C1	ZINC000185123137	199812982	/nfs/dbraw/zinc/81/29/82/199812982.db2.gz	RKIPUPMNUNHWDG-JTQLQIEISA-N	0	0	316.354	2.463	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H](C)C[S@@](C)=O	ZINC000185218408	199825605	/nfs/dbraw/zinc/82/56/05/199825605.db2.gz	IYSUEVHJMIDRHY-QGZBBGHWSA-N	0	0	324.402	2.224	10	5		DEBERN
CC[C@H](NCc1nc(COC)no1)c1cccc([N+](=O)[O-])c1	ZINC000180264436	199138759	/nfs/dbraw/zinc/13/87/59/199138759.db2.gz	PMYBSTUWGKKJKP-LBPRGKRZSA-N	0	0	306.322	2.365	10	5		DEBERN
CC(C)N(CCCn1cc([N+](=O)[O-])ccc1=O)CC(F)(F)F	ZINC000180314139	199145112	/nfs/dbraw/zinc/14/51/12/199145112.db2.gz	LQACBPGSIFNXBV-UHFFFAOYSA-N	0	0	321.299	2.419	10	5		DEBERN
CC(=O)c1cc(N2C[C@@H]3CCC[C@]3(CO)C2)ccc1[N+](=O)[O-]	ZINC000599173477	359424947	/nfs/dbraw/zinc/42/49/47/359424947.db2.gz	ACERQXJJPIAEMZ-BLLLJJGKSA-N	0	0	304.346	2.396	10	5		DEBERN
C[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CCC1=O	ZINC000186544272	199971407	/nfs/dbraw/zinc/97/14/07/199971407.db2.gz	OPYPQMQHTTXGBT-SNVBAGLBSA-N	0	0	308.359	2.124	10	5		DEBERN
O=[N+]([O-])c1ccn(CCSc2ccc(C(F)(F)F)nn2)n1	ZINC000186924673	200032738	/nfs/dbraw/zinc/03/27/38/200032738.db2.gz	QSSPLCUWLKRMTD-UHFFFAOYSA-N	0	0	319.268	2.392	10	5		DEBERN
CC(C)C[C@@H](CO)N(C)C(=O)CCNc1ccccc1[N+](=O)[O-]	ZINC000187141255	200067808	/nfs/dbraw/zinc/06/78/08/200067808.db2.gz	ZBQIWVRRLITTLT-ZDUSSCGKSA-N	0	0	323.393	2.262	10	5		DEBERN
CC[C@H](NC(=O)N(C)CC1(CO)CC1)c1cccc([N+](=O)[O-])c1	ZINC000187282161	200088687	/nfs/dbraw/zinc/08/86/87/200088687.db2.gz	XNNWMBIWHUCFFO-AWEZNQCLSA-N	0	0	321.377	2.460	10	5		DEBERN
CO[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC[C@@H]1C	ZINC000187700633	200146838	/nfs/dbraw/zinc/14/68/38/200146838.db2.gz	VBQLRWRBHXERHJ-XHDPSFHLSA-N	0	0	306.362	2.329	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]2Cn2ccnc2)n1	ZINC000601203444	359963666	/nfs/dbraw/zinc/96/36/66/359963666.db2.gz	ILEUSAWSDRESBI-CYBMUJFWSA-N	0	0	301.350	2.472	10	5		DEBERN
CO[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC[C@@H]1C	ZINC000189304646	200378317	/nfs/dbraw/zinc/37/83/17/200378317.db2.gz	DKOVPGGRHSCLLK-XHDPSFHLSA-N	0	0	321.377	2.199	10	5		DEBERN
CC(=O)CCCc1cn(Cc2c(F)cccc2[N+](=O)[O-])nn1	ZINC000603200586	360743810	/nfs/dbraw/zinc/74/38/10/360743810.db2.gz	BULQFUFHIJNSJJ-UHFFFAOYSA-N	0	0	306.297	2.285	10	5		DEBERN
CN(C)c1noc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1	ZINC000192748204	200933462	/nfs/dbraw/zinc/93/34/62/200933462.db2.gz	VDOJSRPQZRKTMT-UHFFFAOYSA-N	0	0	317.349	2.208	10	5		DEBERN
Cn1cc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C(=O)CCC2	ZINC000609021220	361277618	/nfs/dbraw/zinc/27/76/18/361277618.db2.gz	KKGUZTKSVQBYEV-UHFFFAOYSA-N	0	0	320.330	2.161	10	5		DEBERN
CC(=O)C(C)(C)CCC(=O)NCCOc1ccc([N+](=O)[O-])cc1	ZINC000610950661	361497596	/nfs/dbraw/zinc/49/75/96/361497596.db2.gz	NPQSBKOFSBIRBS-UHFFFAOYSA-N	0	0	322.361	2.485	10	5		DEBERN
CCOc1ccc(C(=O)N2CCC[C@@H](CCO)C2)cc1[N+](=O)[O-]	ZINC000611137381	361533174	/nfs/dbraw/zinc/53/31/74/361533174.db2.gz	YHLDVDPOEMJHEL-LBPRGKRZSA-N	0	0	322.361	2.228	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CCn3c(nnc3C(C)C)C2)n1	ZINC000611616447	361645460	/nfs/dbraw/zinc/64/54/60/361645460.db2.gz	PVYFUQVQZURNOA-UHFFFAOYSA-N	0	0	316.365	2.342	10	5		DEBERN
Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](c2cnn(C)c2)C1	ZINC000194719740	201276899	/nfs/dbraw/zinc/27/68/99/201276899.db2.gz	JFHMYQFXCSCJBF-LBPRGKRZSA-N	0	0	314.345	2.266	10	5		DEBERN
CC(C)c1nn(-c2ncnc3[nH]cnc32)c(Cl)c1[N+](=O)[O-]	ZINC000091585831	193075690	/nfs/dbraw/zinc/07/56/90/193075690.db2.gz	YYIOQYMMKZPNTC-UHFFFAOYSA-N	0	0	307.701	2.224	10	5		DEBERN
COC(=O)c1cc(C)nc(N[C@@H]2CCC[C@H]2OC)c1[N+](=O)[O-]	ZINC000450785963	242221233	/nfs/dbraw/zinc/22/12/33/242221233.db2.gz	PDHGTPCWVHDPRS-GHMZBOCLSA-N	0	0	309.322	2.064	10	5		DEBERN
CCNc1cc(C)c(S(=O)(=O)N[C@H](C)CC)cc1[N+](=O)[O-]	ZINC000094780425	193397675	/nfs/dbraw/zinc/39/76/75/193397675.db2.gz	LICWUFTXRIXVDX-SNVBAGLBSA-N	0	0	315.395	2.412	10	5		DEBERN
CC(C)(C)N1C[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)CC1=O	ZINC000267737442	206250386	/nfs/dbraw/zinc/25/03/86/206250386.db2.gz	WMXFCLONJWYCJO-MRVPVSSYSA-N	0	0	312.757	2.455	10	5		DEBERN
COCCNc1ncnc(Nc2ccccc2OC)c1[N+](=O)[O-]	ZINC000040648375	183114267	/nfs/dbraw/zinc/11/42/67/183114267.db2.gz	FKPYXQULCJJPGT-UHFFFAOYSA-N	0	0	319.321	2.195	10	5		DEBERN
CCNc1ncnc(Nc2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-]	ZINC000040596335	183107127	/nfs/dbraw/zinc/10/71/27/183107127.db2.gz	AAZYLSWNNKHCLL-UHFFFAOYSA-N	0	0	304.266	2.468	10	5		DEBERN
O=[N+]([O-])c1cccc(-c2cc3c(ncnc3NCCCO)[nH]2)c1	ZINC000041472486	183192925	/nfs/dbraw/zinc/19/29/25/183192925.db2.gz	INSHSPNCGSFVRS-UHFFFAOYSA-N	0	0	313.317	2.327	10	5		DEBERN
Cc1noc(CNc2ncc(Br)cc2[N+](=O)[O-])n1	ZINC000042371388	183261005	/nfs/dbraw/zinc/26/10/05/183261005.db2.gz	NSIKYAQPKYRYBS-UHFFFAOYSA-N	0	0	314.099	2.056	10	5		DEBERN
Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)[C@@H]2CCCO2)cc1[N+](=O)[O-]	ZINC000046218166	183558044	/nfs/dbraw/zinc/55/80/44/183558044.db2.gz	AKQHJURTMDWWQT-ZANVPECISA-N	0	0	323.305	2.109	10	5		DEBERN
CCNc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC(C)C	ZINC000050652140	183794582	/nfs/dbraw/zinc/79/45/82/183794582.db2.gz	SRPIUSVLBQDIGC-UHFFFAOYSA-N	0	0	315.395	2.303	10	5		DEBERN
CCCNc1ccc(S(=O)(=O)N(C)C2CC2)cc1[N+](=O)[O-]	ZINC000050651888	183794816	/nfs/dbraw/zinc/79/48/16/183794816.db2.gz	NARKVHRTMBBCDG-UHFFFAOYSA-N	0	0	313.379	2.200	10	5		DEBERN
CC[C@H](NS(=O)(=O)c1ccc(NC)c([N+](=O)[O-])c1)C(C)C	ZINC000050671505	183797901	/nfs/dbraw/zinc/79/79/01/183797901.db2.gz	HAPCVFBNEWDFGQ-NSHDSACASA-N	0	0	315.395	2.349	10	5		DEBERN
CNc1c(Cl)cc(C(=O)NC[C@@H]2CCCO2)cc1[N+](=O)[O-]	ZINC000050723274	183801967	/nfs/dbraw/zinc/80/19/67/183801967.db2.gz	KSALANUSBIULIO-VIFPVBQESA-N	0	0	313.741	2.199	10	5		DEBERN
CC[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(C)C	ZINC000057485468	184040130	/nfs/dbraw/zinc/04/01/30/184040130.db2.gz	HJMUWEOIHAGSCZ-JTQLQIEISA-N	0	0	304.343	2.447	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccccc2F)s1	ZINC000064241888	184293220	/nfs/dbraw/zinc/29/32/20/184293220.db2.gz	GYCIGUFAWLHEBZ-UHFFFAOYSA-N	0	0	316.335	2.274	10	5		DEBERN
CCCN(CC1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000064241229	184293278	/nfs/dbraw/zinc/29/32/78/184293278.db2.gz	CARHWVZBOPLEOX-UHFFFAOYSA-N	0	0	304.393	2.467	10	5		DEBERN
Cc1cc([N+](=O)[O-])c(Cl)cc1N[C@H]1C=CS(=O)(=O)C1	ZINC000159219118	197337600	/nfs/dbraw/zinc/33/76/00/197337600.db2.gz	PXDMDBVQJBZAMD-QMMMGPOBSA-N	0	0	302.739	2.279	10	5		DEBERN
O=[N+]([O-])c1ccc2nc(N3CCO[C@@]4(CCOC4)C3)ccc2c1	ZINC000274459248	285149761	/nfs/dbraw/zinc/14/97/61/285149761.db2.gz	XEZQCTSHZHDNBL-INIZCTEOSA-N	0	0	315.329	2.139	10	5		DEBERN
CN(C)c1ncc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cn1	ZINC000157952681	197229850	/nfs/dbraw/zinc/22/98/50/197229850.db2.gz	QLMPFAOUHJRYCE-UHFFFAOYSA-N	0	0	321.724	2.357	10	5		DEBERN
CC1(C)C[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1	ZINC000157423946	197186240	/nfs/dbraw/zinc/18/62/40/197186240.db2.gz	QRASTPHHTWXRNC-LURJTMIESA-N	0	0	310.784	2.387	10	5		DEBERN
COC(=O)[C@@H]1CCCCN1C(=O)CCc1cccc([N+](=O)[O-])c1	ZINC000155088729	197020955	/nfs/dbraw/zinc/02/09/55/197020955.db2.gz	VUOQYAXMSVWPFO-AWEZNQCLSA-N	0	0	320.345	2.082	10	5		DEBERN
COc1cc(NCC2(OC)CCOCC2)c([N+](=O)[O-])cc1F	ZINC000120568935	195192886	/nfs/dbraw/zinc/19/28/86/195192886.db2.gz	JSARSUJHCOKIJG-UHFFFAOYSA-N	0	0	314.313	2.350	10	5		DEBERN
Cc1ccc([C@@H](C)NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1F	ZINC000121696651	195331015	/nfs/dbraw/zinc/33/10/15/195331015.db2.gz	CHXAQHJCBKWHQE-SNVBAGLBSA-N	0	0	306.297	2.116	10	5		DEBERN
CC(C)Oc1cc(N[C@@H]2C=CS(=O)(=O)C2)cc([N+](=O)[O-])c1	ZINC000122469006	195455104	/nfs/dbraw/zinc/45/51/04/195455104.db2.gz	YHMUTQXLJAASCU-SNVBAGLBSA-N	0	0	312.347	2.105	10	5		DEBERN
COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCCC[C@@H]1CO	ZINC000122742705	195494591	/nfs/dbraw/zinc/49/45/91/195494591.db2.gz	SDUPBUDJQUUCSR-PWSUYJOCSA-N	0	0	323.349	2.276	10	5		DEBERN
CSC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CCC1	ZINC000194008780	533511129	/nfs/dbraw/zinc/51/11/29/533511129.db2.gz	HTOHKDPGIJRDNO-UHFFFAOYSA-N	0	0	322.433	2.220	10	5		DEBERN
Cn1cncc1CNc1ncc([N+](=O)[O-])cc1Br	ZINC000357586467	133086712	/nfs/dbraw/zinc/08/67/12/133086712.db2.gz	YFKATMHZHHFGIN-UHFFFAOYSA-N	0	0	312.127	2.098	10	5		DEBERN
COC[C@@](C)(NC(=O)c1csc([N+](=O)[O-])c1)C(F)(F)F	ZINC000362202605	133216797	/nfs/dbraw/zinc/21/67/97/133216797.db2.gz	IDMDTIMPOWAUAJ-SECBINFHSA-N	0	0	312.269	2.354	10	5		DEBERN
Cc1ccnc(N2C[C@]3(CCOC3)OC(C)(C)C2)c1[N+](=O)[O-]	ZINC000373673832	133399659	/nfs/dbraw/zinc/39/96/59/133399659.db2.gz	UGKKOUWJSVDTHF-HNNXBMFYSA-N	0	0	307.350	2.073	10	5		DEBERN
CCOc1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-]	ZINC000077151770	144571627	/nfs/dbraw/zinc/57/16/27/144571627.db2.gz	QVEXXWHFFLZVHT-JSGCOSHPSA-N	0	0	322.361	2.274	10	5		DEBERN
Cc1ccc(C(=O)N[C@H]2Cc3ccccc3[C@@H]2O)cc1[N+](=O)[O-]	ZINC000178362532	144857550	/nfs/dbraw/zinc/85/75/50/144857550.db2.gz	LHLKJAUSCZNPBI-HOCLYGCPSA-N	0	0	312.325	2.291	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C=Cc1nc2c(cnn2C)c(=O)[nH]1	ZINC000184337090	144943028	/nfs/dbraw/zinc/94/30/28/144943028.db2.gz	OYKGESYPNKRNRC-GQCTYLIASA-N	0	0	311.301	2.044	10	5		DEBERN
CSCCCC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1	ZINC000188564058	145014007	/nfs/dbraw/zinc/01/40/07/145014007.db2.gz	RQSWGKHMPNAUJS-UHFFFAOYSA-N	0	0	310.375	2.328	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[C@@H]2c2ccccc2)n1	ZINC000191611528	145061472	/nfs/dbraw/zinc/06/14/72/145061472.db2.gz	CQOZTJDONZPWNA-QWHCGFSZSA-N	0	0	314.345	2.345	10	5		DEBERN
CCc1onc(C)c1C(=O)NCc1cc([N+](=O)[O-])ccc1OC	ZINC000193580349	145086984	/nfs/dbraw/zinc/08/69/84/145086984.db2.gz	LRWZJHAVEJIKNK-UHFFFAOYSA-N	0	0	319.317	2.392	10	5		DEBERN
CO[C@@H]1CN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1C	ZINC000251646034	145194737	/nfs/dbraw/zinc/19/47/37/145194737.db2.gz	HIYFTTFLPNJFNT-TYNCELHUSA-N	0	0	321.377	2.279	10	5		DEBERN
C[C@H](C(=O)[O-])[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CC1	ZINC000263162174	145331027	/nfs/dbraw/zinc/33/10/27/145331027.db2.gz	QSWCKSSSGRVNPP-LLVKDONJSA-N	0	0	308.334	2.301	10	5		DEBERN
CC(=O)N(C)c1ccccc1NC(=O)c1cc([N+](=O)[O-])c[nH]1	ZINC000345082402	145979733	/nfs/dbraw/zinc/97/97/33/145979733.db2.gz	AWVPZSWXBOGNLX-UHFFFAOYSA-N	0	0	302.290	2.158	10	5		DEBERN
Cc1nn(C)c(NCC[C@H]2COc3ccccc3O2)c1[N+](=O)[O-]	ZINC000360783888	147383653	/nfs/dbraw/zinc/38/36/53/147383653.db2.gz	WVGSJFHXVXFUDP-NSHDSACASA-N	0	0	318.333	2.279	10	5		DEBERN
CCC(=O)N[C@@H]1CCCN(c2cc([N+](=O)[O-])ccc2C(C)=O)C1	ZINC000360954812	147416974	/nfs/dbraw/zinc/41/69/74/147416974.db2.gz	UOSMLVRWOKMEAY-GFCCVEGCSA-N	0	0	319.361	2.292	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@@H](c2nc(C3CC3)no2)C1	ZINC000375673293	148397956	/nfs/dbraw/zinc/39/79/56/148397956.db2.gz	FJILSQUSNCMYNF-SECBINFHSA-N	0	0	318.289	2.078	10	5		DEBERN
O=C(c1ccccc1[N+](=O)[O-])N1CC[C@]2(O)CCCC[C@H]2C1	ZINC000127568308	401740621	/nfs/dbraw/zinc/74/06/21/401740621.db2.gz	FWCPFHAZIQBXGR-BLLLJJGKSA-N	0	0	304.346	2.362	10	5		DEBERN
CCn1c(=O)c2ccccc2n(-c2cccc([N+](=O)[O-])c2)c1=O	ZINC000000001819	401687351	/nfs/dbraw/zinc/68/73/51/401687351.db2.gz	GNWCRBFQZDJFTI-UHFFFAOYSA-N	0	0	311.297	2.081	10	5	in-man	DEBERN
CCCc1n[nH]c(C(=O)NCCCCSC)c1[N+](=O)[O-]	ZINC000128151765	401765281	/nfs/dbraw/zinc/76/52/81/401765281.db2.gz	VJNMUCUPFKGOEO-UHFFFAOYSA-N	0	0	300.384	2.143	10	5		DEBERN
COc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C)n1	ZINC000128587786	401783693	/nfs/dbraw/zinc/78/36/93/401783693.db2.gz	RHGOCRAHVNDIRE-UHFFFAOYSA-N	0	0	301.302	2.237	10	5		DEBERN
O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC([NH+]2CCCC2)CC1	ZINC000130481097	401833144	/nfs/dbraw/zinc/83/31/44/401833144.db2.gz	DMXTUOMLYLKKSZ-UHFFFAOYSA-N	0	0	319.361	2.001	10	5		DEBERN
Cc1nn(C(C)(C)C)cc1[C@H](C)Nc1ncc([N+](=O)[O-])c(N)n1	ZINC000130477959	401833429	/nfs/dbraw/zinc/83/34/29/401833429.db2.gz	MBLNADZWHUHWPH-QMMMGPOBSA-N	0	0	319.369	2.400	10	5		DEBERN
Cc1cccc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1[N+](=O)[O-]	ZINC000116118010	401842448	/nfs/dbraw/zinc/84/24/48/401842448.db2.gz	XLCSPFKPRQBFSR-GFCCVEGCSA-N	0	0	314.345	2.266	10	5		DEBERN
CCOC(=O)CC[C@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000089689906	401957410	/nfs/dbraw/zinc/95/74/10/401957410.db2.gz	AZGRSAJBDPBPJO-JTQLQIEISA-N	0	0	309.322	2.448	10	5		DEBERN
CC[C@@H](C)C(=O)Cn1cc(Br)c(=O)c([N+](=O)[O-])c1	ZINC000089691688	401957429	/nfs/dbraw/zinc/95/74/29/401957429.db2.gz	RTPRIPRUFJPWFO-SSDOTTSWSA-N	0	0	317.139	2.134	10	5		DEBERN
CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000137110171	401979398	/nfs/dbraw/zinc/97/93/98/401979398.db2.gz	YYBIHILPSCWVBY-LBPRGKRZSA-N	0	0	309.366	2.007	10	5		DEBERN
C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCc1ccnn1C	ZINC000120591628	401995246	/nfs/dbraw/zinc/99/52/46/401995246.db2.gz	CKJBMFAHQJQUJD-NSHDSACASA-N	0	0	314.345	2.239	10	5		DEBERN
C[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1	ZINC000054647564	402070413	/nfs/dbraw/zinc/07/04/13/402070413.db2.gz	ZAMJSQQDXNMMOE-SMDDNHRTSA-N	0	0	307.350	2.004	10	5		DEBERN
Cn1nccc1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1	ZINC000152175948	402080035	/nfs/dbraw/zinc/08/00/35/402080035.db2.gz	XKKOULBONHGBST-HNNXBMFYSA-N	0	0	300.362	2.439	10	5		DEBERN
COC[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F	ZINC000103379697	402186218	/nfs/dbraw/zinc/18/62/18/402186218.db2.gz	KCEJRGCRXCNIMH-ZETCQYMHSA-N	0	0	304.249	2.417	10	5		DEBERN
COc1cc(C(=O)N2CCO[C@H]3CCCC[C@H]32)ccc1[N+](=O)[O-]	ZINC000154370178	402209301	/nfs/dbraw/zinc/20/93/01/402209301.db2.gz	DDIIVRRUTHLLJP-OCCSQVGLSA-N	0	0	320.345	2.387	10	5		DEBERN
C[C@H](C(=O)OC(C)(C)C)N(C)C[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC000154401351	402210683	/nfs/dbraw/zinc/21/06/83/402210683.db2.gz	RZSNDYVNSDGKTJ-RISCZKNCSA-N	0	0	324.377	2.290	10	5		DEBERN
CCOC(=O)CCCNC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1	ZINC000184962731	402312862	/nfs/dbraw/zinc/31/28/62/402312862.db2.gz	PRPXOWTWQDAEPR-VAWYXSNFSA-N	0	0	320.345	2.458	10	5		DEBERN
Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](C(=O)OC(C)(C)C)C1	ZINC000176957217	402354234	/nfs/dbraw/zinc/35/42/34/402354234.db2.gz	LSRBORXVJSIHEF-NSHDSACASA-N	0	0	307.350	2.466	10	5		DEBERN
COC(=O)[C@@]1(C)CCCN1CCOc1ccc([N+](=O)[O-])cc1	ZINC000186381127	402426577	/nfs/dbraw/zinc/42/65/77/402426577.db2.gz	BTNPSWGOIMAPTM-OAHLLOKOSA-N	0	0	308.334	2.001	10	5		DEBERN
CC[C@H](NC(=O)[C@H]1CC(=O)N(CC)C1)c1cccc([N+](=O)[O-])c1	ZINC000177786527	402436372	/nfs/dbraw/zinc/43/63/72/402436372.db2.gz	NMIVKQRFFGIPGI-JSGCOSHPSA-N	0	0	319.361	2.031	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCO[C@H]1C(C)C	ZINC000177952204	402446572	/nfs/dbraw/zinc/44/65/72/402446572.db2.gz	RPWBFENAKDKIRE-WFASDCNBSA-N	0	0	321.377	2.479	10	5		DEBERN
O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCc2n[nH]cc21	ZINC000177310945	402390072	/nfs/dbraw/zinc/39/00/72/402390072.db2.gz	ITANCIHLNXOBJP-GFCCVEGCSA-N	0	0	300.318	2.054	10	5		DEBERN
COc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1O	ZINC000178344206	402487362	/nfs/dbraw/zinc/48/73/62/402487362.db2.gz	VOTVYHLCABEQED-UHFFFAOYSA-N	0	0	303.274	2.265	10	5		DEBERN
O=[N+]([O-])c1c(N[C@H]2Cc3ccccc3[C@@H]2O)nc2sccn21	ZINC000170982585	402547106	/nfs/dbraw/zinc/54/71/06/402547106.db2.gz	OXTXVBDGPRAYMI-QWRGUYRKSA-N	0	0	316.342	2.374	10	5		DEBERN
COC(=O)C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000178792505	402540398	/nfs/dbraw/zinc/54/03/98/402540398.db2.gz	OPOKXBNVAGHGFO-LLVKDONJSA-N	0	0	306.318	2.071	10	5		DEBERN
C[C@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CCS1	ZINC000171574447	402596248	/nfs/dbraw/zinc/59/62/48/402596248.db2.gz	OGQFASSOYBZRKP-NSHDSACASA-N	0	0	309.391	2.361	10	5		DEBERN
CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2cccc([N+](=O)[O-])c2)C1	ZINC000190100130	402576143	/nfs/dbraw/zinc/57/61/43/402576143.db2.gz	FQUKCHWRLKUFOJ-ZIAGYGMSSA-N	0	0	318.333	2.248	10	5		DEBERN
Cc1ccc2c(c1)[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)C2	ZINC000182219407	402673230	/nfs/dbraw/zinc/67/32/30/402673230.db2.gz	AYLIHLGSICYMQX-ZBEGNZNMSA-N	0	0	314.345	2.149	10	5		DEBERN
O=C(CCn1cc([N+](=O)[O-])cn1)NC/C=C\c1ccccc1	ZINC000255339055	402684515	/nfs/dbraw/zinc/68/45/15/402684515.db2.gz	INPDLVRNFPJZEI-DAXSKMNVSA-N	0	0	300.318	2.011	10	5		DEBERN
Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000173479239	402699709	/nfs/dbraw/zinc/69/97/09/402699709.db2.gz	QNVFNPDVUHETGC-SNVBAGLBSA-N	0	0	316.361	2.306	10	5		DEBERN
CS[C@H](CO)[C@H](C)NC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1	ZINC000183296369	402753957	/nfs/dbraw/zinc/75/39/57/402753957.db2.gz	XGXZHTJOVMPSPD-KDGJFNHZSA-N	0	0	324.402	2.227	10	5		DEBERN
CC(C)c1csc(NC(=O)CCn2cc([N+](=O)[O-])cn2)n1	ZINC000194373314	402794740	/nfs/dbraw/zinc/79/47/40/402794740.db2.gz	BLSDLJGVRCQOAX-UHFFFAOYSA-N	0	0	309.351	2.400	10	5		DEBERN
O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1COc2ccccc21	ZINC000194873149	402819811	/nfs/dbraw/zinc/81/98/11/402819811.db2.gz	HTGUHLXGHGJDBD-AWEZNQCLSA-N	0	0	314.297	2.224	10	5		DEBERN
Cn1ncc([N+](=O)[O-])c1NC(=O)C[C@H]1CCOc2ccccc21	ZINC000184401627	402841160	/nfs/dbraw/zinc/84/11/60/402841160.db2.gz	AEFSRUMSRFOSKF-SNVBAGLBSA-N	0	0	316.317	2.223	10	5		DEBERN
O=[N+]([O-])c1cnc(N[C@H]2CCC[C@H]2O)c(Br)c1	ZINC000267282334	403032326	/nfs/dbraw/zinc/03/23/26/403032326.db2.gz	VNQFUDRYAKCIKC-DTWKUNHWSA-N	0	0	302.128	2.078	10	5		DEBERN
COC(=O)c1cc(N2CCO[C@@H](C)[C@H]2C)cc(C)c1[N+](=O)[O-]	ZINC000268837071	403119428	/nfs/dbraw/zinc/11/94/28/403119428.db2.gz	URKYFGRMIKNHBZ-MNOVXSKESA-N	0	0	308.334	2.303	10	5		DEBERN
CC[C@H]1CN(c2ncc(C)cc2[N+](=O)[O-])CCN1CC(F)F	ZINC000270750568	403220325	/nfs/dbraw/zinc/22/03/25/403220325.db2.gz	AJKNTTUKPXJXEA-NSHDSACASA-N	0	0	314.336	2.464	10	5		DEBERN
CCC(CC)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1	ZINC000301382298	403622886	/nfs/dbraw/zinc/62/28/86/403622886.db2.gz	SSVWEPJRNGOLOV-NSHDSACASA-N	0	0	306.366	2.351	10	5		DEBERN
CCOc1cc(N2CC[C@@](O)(C(F)(F)F)C2)ccc1[N+](=O)[O-]	ZINC000301598165	403652704	/nfs/dbraw/zinc/65/27/04/403652704.db2.gz	TWFUKJDEQIUKJD-LBPRGKRZSA-N	0	0	320.267	2.497	10	5		DEBERN
CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[C@@H](OC)C1	ZINC000301774646	403677458	/nfs/dbraw/zinc/67/74/58/403677458.db2.gz	KTMNWIFTTRXFFM-ZYHUDNBSSA-N	0	0	307.350	2.324	10	5		DEBERN
COC(=O)c1cnc(NCc2cccc(C)n2)c([N+](=O)[O-])c1	ZINC000302785071	403726388	/nfs/dbraw/zinc/72/63/88/403726388.db2.gz	VFEGNEWPVCTWGG-UHFFFAOYSA-N	0	0	302.290	2.092	10	5		DEBERN
Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1CCS(=O)(=O)C1	ZINC000302812820	403729367	/nfs/dbraw/zinc/72/93/67/403729367.db2.gz	HOATZIMPTIAILT-MRVPVSSYSA-N	0	0	304.755	2.156	10	5		DEBERN
CN(C)c1noc(C2CCN(c3sccc3[N+](=O)[O-])CC2)n1	ZINC000302815696	403729496	/nfs/dbraw/zinc/72/94/96/403729496.db2.gz	BPYJYHWMMMADPR-UHFFFAOYSA-N	0	0	323.378	2.489	10	5		DEBERN
C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCN(C2CC2)C(=O)C1	ZINC000337474809	404048785	/nfs/dbraw/zinc/04/87/85/404048785.db2.gz	OPWYHGMBEKLUSK-LCYFTJDESA-N	0	0	315.373	2.305	10	5		DEBERN
CC(=O)c1ccc([N+](=O)[O-])cc1N(C)CC(=O)NC(C)(C)C	ZINC000360880990	404843787	/nfs/dbraw/zinc/84/37/87/404843787.db2.gz	IIMSRLIAIQRMKP-UHFFFAOYSA-N	0	0	307.350	2.148	10	5		DEBERN
CC[C@H]1OCCC[C@@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1	ZINC000408383179	405192838	/nfs/dbraw/zinc/19/28/38/405192838.db2.gz	HBQNPGSEQVKUHS-DZGCQCFKSA-N	0	0	319.361	2.080	10	5		DEBERN
CCOc1ccc(C(=O)N[C@@H](C)CCCCO)cc1[N+](=O)[O-]	ZINC000452989045	405270758	/nfs/dbraw/zinc/27/07/58/405270758.db2.gz	SGGBMTLDXPAKPA-NSHDSACASA-N	0	0	310.350	2.274	10	5		DEBERN
COCCn1cc2c(n1)[C@@H](Nc1ccc([N+](=O)[O-])nc1)CCC2	ZINC000445597606	405353330	/nfs/dbraw/zinc/35/33/30/405353330.db2.gz	UVENGLHYRYDCJB-ZDUSSCGKSA-N	0	0	317.349	2.322	10	5		DEBERN
CCn1nncc1CN(Cc1cccc([N+](=O)[O-])c1)C1CC1	ZINC000459354450	405870022	/nfs/dbraw/zinc/87/00/22/405870022.db2.gz	VDEVTPZFDGTCLV-UHFFFAOYSA-N	0	0	301.350	2.371	10	5		DEBERN
C[C@H](N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(F)(F)F	ZINC000486918646	406188836	/nfs/dbraw/zinc/18/88/36/406188836.db2.gz	BGOKCMOWBSWKMA-VIFPVBQESA-N	0	0	304.272	2.063	10	5		DEBERN
Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1c1ccnn1C	ZINC000545252226	406308171	/nfs/dbraw/zinc/30/81/71/406308171.db2.gz	ZWHLBWQELCTYKI-CYBMUJFWSA-N	0	0	317.349	2.034	10	5		DEBERN
CCOc1cc([N+](=O)[O-])c(I)cc1C=O	ZINC000575697893	406819578	/nfs/dbraw/zinc/81/95/78/406819578.db2.gz	RBXMRZBJQJKCNP-UHFFFAOYSA-N	0	0	321.070	2.411	10	5		DEBERN
COc1cc(C=O)c(I)cc1[N+](=O)[O-]	ZINC000575728019	406825501	/nfs/dbraw/zinc/82/55/01/406825501.db2.gz	LCSVVPSASSUQOM-UHFFFAOYSA-N	0	0	307.043	2.021	10	5		DEBERN
C[C@@H](C(=O)N1CCOCC[C@H]1C)c1ccc([N+](=O)[O-])cc1F	ZINC000363808749	286755695	/nfs/dbraw/zinc/75/56/95/286755695.db2.gz	AJEMUCNULIIPIN-GHMZBOCLSA-N	0	0	310.325	2.475	10	5		DEBERN
CCNc1ccc([N+](=O)[O-])cc1C(=O)NCc1cncs1	ZINC000128683782	195983358	/nfs/dbraw/zinc/98/33/58/195983358.db2.gz	KRJJPBCQQGYECN-UHFFFAOYSA-N	0	0	306.347	2.413	10	5		DEBERN
Nc1c(Cl)cc(C(=O)NCc2cncs2)cc1[N+](=O)[O-]	ZINC000128696408	195984744	/nfs/dbraw/zinc/98/47/44/195984744.db2.gz	NOWKROWOFABPGG-UHFFFAOYSA-N	0	0	312.738	2.217	10	5		DEBERN
O=[N+]([O-])c1ccc(OC2CCN(Cc3cncnc3)CC2)cc1	ZINC000130721859	196104844	/nfs/dbraw/zinc/10/48/44/196104844.db2.gz	YJEYXLGWLRLWMI-UHFFFAOYSA-N	0	0	314.345	2.428	10	5		DEBERN
CC(C)Cn1ccnc1CNC(=O)c1ccc([N+](=O)[O-])s1	ZINC000131351401	196161073	/nfs/dbraw/zinc/16/10/73/196161073.db2.gz	QZJDDSYYSRWWCK-UHFFFAOYSA-N	0	0	308.363	2.439	10	5		DEBERN
O=C(N[C@@H]1CCOC1)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1	ZINC000131357586	196161627	/nfs/dbraw/zinc/16/16/27/196161627.db2.gz	NZAVWKNGCRIYFZ-SSDOTTSWSA-N	0	0	305.117	2.420	10	5		DEBERN
C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])C1	ZINC000131955331	196213764	/nfs/dbraw/zinc/21/37/64/196213764.db2.gz	SMFUMDZAIVKQAK-PSASIEDQSA-N	0	0	302.327	2.201	10	5		DEBERN
CC[C@H](CSC)NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000132572839	196267370	/nfs/dbraw/zinc/26/73/70/196267370.db2.gz	WKHWBLRONPVFGY-MRVPVSSYSA-N	0	0	322.383	2.154	10	5		DEBERN
C[C@@H]1CCCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1	ZINC000132731125	196279342	/nfs/dbraw/zinc/27/93/42/196279342.db2.gz	FNBOLGCPTWXSBK-SNVBAGLBSA-N	0	0	313.379	2.130	10	5		DEBERN
C[C@H](CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[S@](C)=O	ZINC000132911773	196296562	/nfs/dbraw/zinc/29/65/62/196296562.db2.gz	CUCVDCJNVNXCRR-ZPWHCFADSA-N	0	0	318.782	2.135	10	5		DEBERN
C[C@@](CO)(NC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1	ZINC000134396811	196386114	/nfs/dbraw/zinc/38/61/14/196386114.db2.gz	IFLLLTGMFKMVJJ-AWEZNQCLSA-N	0	0	306.343	2.294	10	5		DEBERN
COc1cc(NC[C@H](O)COCC(C)C)c([N+](=O)[O-])cc1F	ZINC000136432699	196536182	/nfs/dbraw/zinc/53/61/82/196536182.db2.gz	HTNJCALEDOHKGP-JTQLQIEISA-N	0	0	316.329	2.188	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCCc2cccc(C)c2)n1	ZINC000191585823	225113536	/nfs/dbraw/zinc/11/35/36/225113536.db2.gz	LMSUJSSOUIJMSU-UHFFFAOYSA-N	0	0	302.334	2.092	10	5		DEBERN
O=[N+]([O-])c1cccnc1NCc1ccnc(O[C@@H]2CCOC2)c1	ZINC000301872547	229952664	/nfs/dbraw/zinc/95/26/64/229952664.db2.gz	HRUIGMZZGSTDAZ-GFCCVEGCSA-N	0	0	316.317	2.165	10	5		DEBERN
CC[C@@H]1CN(c2nccc(C)c2[N+](=O)[O-])CCN1CC(F)F	ZINC000270779780	268697291	/nfs/dbraw/zinc/69/72/91/268697291.db2.gz	JCNWKYLEYFXQGQ-LLVKDONJSA-N	0	0	314.336	2.464	10	5		DEBERN
CC(C)[C@](C)(CO)NC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000398537597	269108799	/nfs/dbraw/zinc/10/87/99/269108799.db2.gz	DRSROUZUUYURJT-ZDUSSCGKSA-N	0	0	300.742	2.385	10	5		DEBERN
CO[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[C@@H]1C	ZINC000187699583	277663007	/nfs/dbraw/zinc/66/30/07/277663007.db2.gz	YZBIQIOFCPAEEL-SWLSCSKDSA-N	0	0	306.362	2.411	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1Cc2ccccc2[C@H]1O	ZINC000178335079	281017066	/nfs/dbraw/zinc/01/70/66/281017066.db2.gz	UNJINNSMUVYFDU-JKSUJKDBSA-N	0	0	312.325	2.291	10	5		DEBERN
O=C(NCc1cccc([N+](=O)[O-])c1)c1cn2ccnc2s1	ZINC000188385737	333045031	/nfs/dbraw/zinc/04/50/31/333045031.db2.gz	GPJYKZBEWHOUMA-UHFFFAOYSA-N	0	0	302.315	2.234	10	5		DEBERN
CCOC(=O)c1cncn1-c1cc(NC)c(F)cc1[N+](=O)[O-]	ZINC000584641153	337379957	/nfs/dbraw/zinc/37/99/57/337379957.db2.gz	KFFLUJYBVDBZBH-UHFFFAOYSA-N	0	0	308.269	2.138	10	5		DEBERN
CC[C@H](CC1CC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N	ZINC000070109134	517811860	/nfs/dbraw/zinc/81/18/60/517811860.db2.gz	ZBVJQOPFMNZOOY-SNVBAGLBSA-N	0	0	313.379	2.034	10	5		DEBERN
Cc1ccc(NC(=O)NCCCN2CCCC2=O)cc1[N+](=O)[O-]	ZINC000122417977	525158181	/nfs/dbraw/zinc/15/81/81/525158181.db2.gz	NIQVGVXBFXBPMS-UHFFFAOYSA-N	0	0	320.349	2.037	10	5		DEBERN
CCS[C@@H]1CC[C@]1(O)CNc1cc(CO)ccc1[N+](=O)[O-]	ZINC000302057010	529221829	/nfs/dbraw/zinc/22/18/29/529221829.db2.gz	QSPHZOSMMRYONM-KGLIPLIRSA-N	0	0	312.391	2.146	10	5		DEBERN
CC1(C)[C@@H](O)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21	ZINC000408240898	535025803	/nfs/dbraw/zinc/02/58/03/535025803.db2.gz	QQGVWSPLFHWHAV-ZDUSSCGKSA-N	0	0	303.318	2.062	10	5		DEBERN
CC(C)COCCc1nc(Cc2ccc([N+](=O)[O-])cn2)no1	ZINC000357333432	535178147	/nfs/dbraw/zinc/17/81/47/535178147.db2.gz	NAKMIXVYERXFIY-UHFFFAOYSA-N	0	0	306.322	2.179	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NC2(Cc3ccccc3)CC2)n1	ZINC000191715566	536092430	/nfs/dbraw/zinc/09/24/30/536092430.db2.gz	IQLMRRSWYAHYBL-UHFFFAOYSA-N	0	0	314.345	2.316	10	5		DEBERN
CCOC(=O)c1cc(C(=O)OCC(F)(F)F)cc([N+](=O)[O-])c1	ZINC000072508952	625337084	/nfs/dbraw/zinc/33/70/84/625337084.db2.gz	QUBWIDOTXKUNRF-UHFFFAOYSA-N	0	0	321.207	2.491	10	5		DEBERN
O=[N+]([O-])c1cnccc1NCCn1cc(Br)cn1	ZINC000310848966	625194279	/nfs/dbraw/zinc/19/42/79/625194279.db2.gz	AFGQEGYNJHRTCR-UHFFFAOYSA-N	0	0	312.127	2.061	10	5		DEBERN
COC(=O)/C(C)=C/COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-]	ZINC000748181510	638523212	/nfs/dbraw/zinc/52/32/12/638523212.db2.gz	IJSGYGQGSZUSHI-XVNBXDOJSA-N	0	0	315.228	2.149	10	5		DEBERN
C/C(=C\C(=O)N(C)Cc1ncc[nH]1)c1ccc([N+](=O)[O-])cc1	ZINC000752102512	639156643	/nfs/dbraw/zinc/15/66/43/639156643.db2.gz	KZQLFZIHHUZLKZ-PKNBQFBNSA-N	0	0	300.318	2.380	10	5		DEBERN
CCOC(=O)[C@@H](CC1CC1)NC(=O)c1ccccc1[N+](=O)[O-]	ZINC000752383848	639178643	/nfs/dbraw/zinc/17/86/43/639178643.db2.gz	NOFZHTWENCSPJX-GFCCVEGCSA-N	0	0	306.318	2.056	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C)c1nncn1C	ZINC000805530024	641989776	/nfs/dbraw/zinc/98/97/76/641989776.db2.gz	AYTLZFNMIAKXGX-RJCSOLBVSA-N	0	0	316.317	2.431	10	5		DEBERN
CCc1[nH]nc(C(=O)OC[C@H]2Cc3ccccc32)c1[N+](=O)[O-]	ZINC000803455964	645656499	/nfs/dbraw/zinc/65/64/99/645656499.db2.gz	YLNUFGQXXKYQAC-SNVBAGLBSA-N	0	0	301.302	2.377	10	5		DEBERN
CC(=O)c1ccc([N+](=O)[O-])cc1NCC(=O)NCc1ccco1	ZINC000807918611	646008947	/nfs/dbraw/zinc/00/89/47/646008947.db2.gz	XPQZLXUODNBJFK-UHFFFAOYSA-N	0	0	317.301	2.119	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccccc1	ZINC000058312882	646546444	/nfs/dbraw/zinc/54/64/44/646546444.db2.gz	WANOMYXOHFJHQV-UHFFFAOYSA-N	0	0	309.299	2.371	10	5		DEBERN
CC1(COC(=O)CCCNc2ccc([N+](=O)[O-])cc2)COC1	ZINC000170731136	646662595	/nfs/dbraw/zinc/66/25/95/646662595.db2.gz	WYHAPGWFVFZBPA-UHFFFAOYSA-N	0	0	308.334	2.367	10	5		DEBERN
C[C@H]1CN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CCS1	ZINC000171605506	646707627	/nfs/dbraw/zinc/70/76/27/646707627.db2.gz	YPNQIRXHFRVREV-NSHDSACASA-N	0	0	319.390	2.248	10	5		DEBERN
Cc1noc(C)c1CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	ZINC000174027531	646787630	/nfs/dbraw/zinc/78/76/30/646787630.db2.gz	IARADGMDPBVKRU-UHFFFAOYSA-N	0	0	318.289	2.143	10	5		DEBERN
Cc1cccc([C@H](O)CNC(=O)c2cc([N+](=O)[O-])cnc2C)c1	ZINC000153442646	647468184	/nfs/dbraw/zinc/46/81/84/647468184.db2.gz	AFENQJUDFZCJTB-OAHLLOKOSA-N	0	0	315.329	2.070	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)OCc1ccccc1C(N)=O	ZINC000105561245	651148257	/nfs/dbraw/zinc/14/82/57/651148257.db2.gz	HXJKOSZKNSCJSG-UHFFFAOYSA-N	0	0	314.297	2.359	10	5		DEBERN
C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cc1nsc(N(C)C)n1	ZINC000089658357	684024802	/nfs/dbraw/zinc/02/48/02/684024802.db2.gz	ADMOTXJSJPSNSX-VIFPVBQESA-N	0	0	319.390	2.464	10	5		DEBERN
COCCCOC1CN(c2c(F)cc([N+](=O)[O-])cc2F)C1	ZINC000121760903	684109685	/nfs/dbraw/zinc/10/96/85/684109685.db2.gz	WRQBKHBCQMYIFT-UHFFFAOYSA-N	0	0	302.277	2.115	10	5		DEBERN
Cc1ccc([C@@H](C)OC(=O)[C@@H]2CCNC(=O)C2)cc1[N+](=O)[O-]	ZINC000122735028	684118385	/nfs/dbraw/zinc/11/83/85/684118385.db2.gz	IOGITQBDEZZNNF-ZYHUDNBSSA-N	0	0	306.318	2.034	10	5		DEBERN
COC(=O)[C@@H]1C[C@@H]1C(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1	ZINC000247063002	685142452	/nfs/dbraw/zinc/14/24/52/685142452.db2.gz	WDXHNVPAJRJWPX-JLLWLGSASA-N	0	0	307.302	2.317	10	5		DEBERN
Cc1cc(NCC(C)(C)CS(C)(=O)=O)ccc1[N+](=O)[O-]	ZINC000723851538	777188353	/nfs/dbraw/zinc/18/83/53/777188353.db2.gz	FSKDAVAAWGMGAN-UHFFFAOYSA-N	0	0	300.380	2.386	10	5		DEBERN
CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1c[nH]nc1C	ZINC000588444535	777199140	/nfs/dbraw/zinc/19/91/40/777199140.db2.gz	ISMDHWOHIOJDGC-YFHOEESVSA-N	0	0	300.318	2.346	10	5		DEBERN
O=[N+]([O-])c1cccc(F)c1NCC[C@H]1CCCS1(=O)=O	ZINC000714330365	792308731	/nfs/dbraw/zinc/30/87/31/792308731.db2.gz	LNYVSGBADGBTTK-SECBINFHSA-N	0	0	302.327	2.113	10	5		DEBERN
O=C(NCc1ccnc(OCC2CC2)c1)c1ccc([N+](=O)[O-])o1	ZINC000067337160	794580601	/nfs/dbraw/zinc/58/06/01/794580601.db2.gz	KINIQFBRBSNKMD-UHFFFAOYSA-N	0	0	317.301	2.302	10	5		DEBERN
CN1CCOC[C@H]1CNc1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000700131873	1086309241	/nfs/dbraw/zinc/30/92/41/1086309241.db2.gz	PKJZOHBRHZNMHZ-MRVPVSSYSA-N	0	0	303.721	2.130	10	5		DEBERN
C[C@@H](CF)NC(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000702643087	1086450091	/nfs/dbraw/zinc/45/00/91/1086450091.db2.gz	GXMLEDRUWXSQNB-LURJTMIESA-N	0	0	305.103	2.445	10	5		DEBERN
O=[N+]([O-])c1cnc(N[C@@H]2CCCN3CCSC[C@H]23)s1	ZINC000720410868	1089732107	/nfs/dbraw/zinc/73/21/07/1089732107.db2.gz	LARIFVCUOLZWKV-RKDXNWHRSA-N	0	0	300.409	2.043	10	5		DEBERN
C[C@@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])CCO1	ZINC000720446728	1089931618	/nfs/dbraw/zinc/93/16/18/1089931618.db2.gz	GQYFOOWIZLLKEQ-MRVPVSSYSA-N	0	0	316.155	2.368	10	5		DEBERN
Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cc(C)c2=O)c(C)c1	ZINC000096778097	185387071	/nfs/dbraw/zinc/38/70/71/185387071.db2.gz	VIQJEGZADMFZHQ-UHFFFAOYSA-N	0	0	315.329	2.320	10	5		DEBERN
CNc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1	ZINC000165104080	197670689	/nfs/dbraw/zinc/67/06/89/197670689.db2.gz	ZMMZIHHJTCTEPY-ZJUUUORDSA-N	0	0	313.379	2.056	10	5		DEBERN
C[C@@H]1C[C@@H](C)N(C(=O)c2cc(Cl)c(NN)c([N+](=O)[O-])c2)C1	ZINC000165179940	197671602	/nfs/dbraw/zinc/67/16/02/197671602.db2.gz	WNVCZDHRZNUZEI-HTQZYQBOSA-N	0	0	312.757	2.404	10	5		DEBERN
O=[N+]([O-])c1ccc2oc(CN3CCN(C4CC4)CC3)nc2c1	ZINC000083169494	185215475	/nfs/dbraw/zinc/21/54/75/185215475.db2.gz	FBVUMWYMOUUWLG-UHFFFAOYSA-N	0	0	302.334	2.016	10	5		DEBERN
CCS(=O)(=O)CCCOc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000088055569	185237850	/nfs/dbraw/zinc/23/78/50/185237850.db2.gz	LEGPBJZXYYTOHB-UHFFFAOYSA-N	0	0	307.755	2.452	10	5		DEBERN
COC(=O)[C@H](C)Oc1ccc(Br)cc1[N+](=O)[O-]	ZINC000088086169	185239347	/nfs/dbraw/zinc/23/93/47/185239347.db2.gz	NISKOKKVZBPIRY-LURJTMIESA-N	0	0	304.096	2.298	10	5		DEBERN
CC[C@@H](CSC)N(C)C(=O)c1nn(CC)cc1[N+](=O)[O-]	ZINC000191698962	529527944	/nfs/dbraw/zinc/52/79/44/529527944.db2.gz	AODBKRJUHDLQLA-VIFPVBQESA-N	0	0	300.384	2.025	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C	ZINC000175723547	282196353	/nfs/dbraw/zinc/19/63/53/282196353.db2.gz	JGXPMDLSFGCQOT-JTQLQIEISA-N	0	0	323.349	2.100	10	5		DEBERN
CC[C@@H](C)C[C@@H](C)NS(=O)(=O)c1cc(N)ccc1[N+](=O)[O-]	ZINC000088311764	185245244	/nfs/dbraw/zinc/24/52/44/185245244.db2.gz	SJZKBDKFHGNRJH-NXEZZACHSA-N	0	0	315.395	2.280	10	5		DEBERN
CC[C@@H](NC(=O)CNC(=O)C(C)(C)C)c1cccc([N+](=O)[O-])c1	ZINC000177802911	282208348	/nfs/dbraw/zinc/20/83/48/282208348.db2.gz	ZYAHCTPZQQJBOF-CYBMUJFWSA-N	0	0	321.377	2.324	10	5		DEBERN
COC(=O)c1cncc(NC(=O)c2ccc([N+](=O)[O-])s2)c1	ZINC000179291479	282223427	/nfs/dbraw/zinc/22/34/27/282223427.db2.gz	FPRNXIXUSWWAOM-UHFFFAOYSA-N	0	0	307.287	2.090	10	5		DEBERN
CC[C@@H](NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)C(=O)OC	ZINC000092426485	185317657	/nfs/dbraw/zinc/31/76/57/185317657.db2.gz	OBTFHYYJVBIKCL-LLVKDONJSA-N	0	0	308.334	2.201	10	5		DEBERN
CCOc1cc(N2CC(OCCCOC)C2)ccc1[N+](=O)[O-]	ZINC000092674370	185333158	/nfs/dbraw/zinc/33/31/58/185333158.db2.gz	UHCKQWLMAWTEBS-UHFFFAOYSA-N	0	0	310.350	2.235	10	5		DEBERN
CCCC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)OC	ZINC000184260198	282249814	/nfs/dbraw/zinc/24/98/14/282249814.db2.gz	UJIQXZLBWKXOCF-SECBINFHSA-N	0	0	314.363	2.426	10	5		DEBERN
CN(CCCO)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1	ZINC000443002174	529893271	/nfs/dbraw/zinc/89/32/71/529893271.db2.gz	ONUQBEXHNAVLNJ-UHFFFAOYSA-N	0	0	310.353	2.136	10	5		DEBERN
CN(Cc1cn(C)nc1C(F)(F)F)c1ccc([N+](=O)[O-])nc1	ZINC000441920425	530014426	/nfs/dbraw/zinc/01/44/26/530014426.db2.gz	IZHHDEWQKDMOMZ-UHFFFAOYSA-N	0	0	315.255	2.379	10	5		DEBERN
O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1[C@@H]2CC[C@H]1CC(O)C2	ZINC000107915839	185495625	/nfs/dbraw/zinc/49/56/25/185495625.db2.gz	AULGTVZDTVVGNX-ZACCUICWSA-N	0	0	310.737	2.376	10	5		DEBERN
CC[C@H](NC(=O)N[C@@H]1CCC[C@H]1O)c1cccc([N+](=O)[O-])c1	ZINC000247140285	282478864	/nfs/dbraw/zinc/47/88/64/282478864.db2.gz	SUZGKIKEVYFTLK-BFHYXJOUSA-N	0	0	307.350	2.259	10	5		DEBERN
O=[N+]([O-])c1ncccc1N1CCO[C@H](COc2ccccc2)C1	ZINC000616393254	362844890	/nfs/dbraw/zinc/84/48/90/362844890.db2.gz	RWOCTLRJFRFJCU-AWEZNQCLSA-N	0	0	315.329	2.274	10	5		DEBERN
CC[C@@H](C)CN(CC)S(=O)(=O)c1cccc(N)c1[N+](=O)[O-]	ZINC000127038510	185914854	/nfs/dbraw/zinc/91/48/54/185914854.db2.gz	REPVKMJTPWDFNH-SNVBAGLBSA-N	0	0	315.395	2.234	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(CCO)CC(F)F	ZINC000279901327	215220980	/nfs/dbraw/zinc/22/09/80/215220980.db2.gz	ZTEFVBPCVBBVGU-CSKARUKUSA-N	0	0	314.288	2.084	10	5		DEBERN
C[C@@H]1CCC[C@H]1NC(=O)c1cc(Cl)c(NN)c([N+](=O)[O-])c1	ZINC000071211779	190942637	/nfs/dbraw/zinc/94/26/37/190942637.db2.gz	LOWHDHKKZWTAOT-GMSGAONNSA-N	0	0	312.757	2.452	10	5		DEBERN
Cc1ccc([C@@H](C)NC(=O)c2c[nH]c(=O)cc2C)cc1[N+](=O)[O-]	ZINC000133561743	185995444	/nfs/dbraw/zinc/99/54/44/185995444.db2.gz	PDJOXRLWXWZYBY-LLVKDONJSA-N	0	0	315.329	2.391	10	5		DEBERN
COc1cc(CC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)ncn1	ZINC000138607178	186018001	/nfs/dbraw/zinc/01/80/01/186018001.db2.gz	GLSANDOHSJBEHC-UHFFFAOYSA-N	0	0	307.693	2.472	10	5		DEBERN
CNc1sc(S(=O)(=O)N[C@@H](C)C2CCC2)cc1[N+](=O)[O-]	ZINC000138104557	186014177	/nfs/dbraw/zinc/01/41/77/186014177.db2.gz	ZDNAXEHGBCVTGF-ZETCQYMHSA-N	0	0	319.408	2.165	10	5		DEBERN
CN1CCN(Nc2cc(Cl)c(Cl)cc2[N+](=O)[O-])CC1	ZINC000148462671	186044229	/nfs/dbraw/zinc/04/42/29/186044229.db2.gz	FHYGVBJRRWAUJY-UHFFFAOYSA-N	0	0	305.165	2.476	10	5		DEBERN
CCNc1nnc(C(=O)Nc2ccc([N+](=O)[O-])c(F)c2)s1	ZINC000149053121	186047479	/nfs/dbraw/zinc/04/74/79/186047479.db2.gz	OUIZQBWITVBMBD-UHFFFAOYSA-N	0	0	311.298	2.270	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1C[S@@](=O)c1cccc(N)c1	ZINC000150126104	186054949	/nfs/dbraw/zinc/05/49/49/186054949.db2.gz	KFEWIFOWBAQLEF-NRFANRHFSA-N	0	0	306.343	2.493	10	5		DEBERN
CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)C(C)C)CC1	ZINC000287170377	219358815	/nfs/dbraw/zinc/35/88/15/219358815.db2.gz	YZHKPRHUWGRWMV-UHFFFAOYSA-N	0	0	319.361	2.102	10	5		DEBERN
CN(c1nc2ccccn2c(=O)c1[N+](=O)[O-])C1CCCCC1	ZINC000045799214	354263467	/nfs/dbraw/zinc/26/34/67/354263467.db2.gz	PARGNNWSNVIAMN-UHFFFAOYSA-N	0	0	302.334	2.372	10	5		DEBERN
Cn1ncnc1CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000078677366	355274225	/nfs/dbraw/zinc/27/42/25/355274225.db2.gz	JAZFOUMMJNOQSQ-UHFFFAOYSA-N	0	0	301.228	2.354	10	5		DEBERN
Cc1nn(CCC(=O)N2C[C@@H](C)CC[C@H]2C)c(C)c1[N+](=O)[O-]	ZINC000075286668	191456206	/nfs/dbraw/zinc/45/62/06/191456206.db2.gz	GQHSXXMBSUUDLX-WDEREUQCSA-N	0	0	308.382	2.445	10	5		DEBERN
CCc1nncn1CCNc1cc(OC)cc(F)c1[N+](=O)[O-]	ZINC000080652607	355378176	/nfs/dbraw/zinc/37/81/76/355378176.db2.gz	JGVCMRNUTLMGIK-UHFFFAOYSA-N	0	0	309.301	2.009	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H](C)[C@H](O)C1	ZINC000089406373	355530450	/nfs/dbraw/zinc/53/04/50/355530450.db2.gz	UVMPQUATHXKCKI-NOZJJQNGSA-N	0	0	306.362	2.363	10	5		DEBERN
COc1cc([N+](=O)[O-])cc(OC)c1I	ZINC000306570045	356404814	/nfs/dbraw/zinc/40/48/14/356404814.db2.gz	XWRVMVOMKZPIED-UHFFFAOYSA-N	0	0	309.059	2.217	10	5		DEBERN
CC[C@@H](NC(=O)[C@H](C)n1cncn1)c1cccc([N+](=O)[O-])c1	ZINC000177786427	198776562	/nfs/dbraw/zinc/77/65/62/198776562.db2.gz	TYMVGFCCMMVBOL-GXFFZTMASA-N	0	0	303.322	2.015	10	5		DEBERN
C[C@H](C(=O)N(C)Cc1cnccn1)c1cccc([N+](=O)[O-])c1	ZINC000581641725	357219059	/nfs/dbraw/zinc/21/90/59/357219059.db2.gz	HJRXVBAUYLAARU-NSHDSACASA-N	0	0	300.318	2.147	10	5		DEBERN
COC[C@H](Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])C(C)C	ZINC000587984694	357385220	/nfs/dbraw/zinc/38/52/20/357385220.db2.gz	BAZSAEUKUVIREE-NSHDSACASA-N	0	0	311.338	2.168	10	5		DEBERN
COC(=O)c1cc(C)nc(N[C@H]2CC[C@@H](CO)CC2)c1[N+](=O)[O-]	ZINC000587996394	357386935	/nfs/dbraw/zinc/38/69/35/357386935.db2.gz	AUMYAIDIBYQPJB-PHIMTYICSA-N	0	0	323.349	2.048	10	5		DEBERN
C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)C1(S(C)(=O)=O)CC1	ZINC000588072571	357392102	/nfs/dbraw/zinc/39/21/02/357392102.db2.gz	LRLFYHUMRJKXQO-SSDOTTSWSA-N	0	0	319.770	2.021	10	5		DEBERN
O=C(N[C@H]1CCCOC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1	ZINC000179455094	199037905	/nfs/dbraw/zinc/03/79/05/199037905.db2.gz	PPIVIWFPPFSYHA-ZDUSSCGKSA-N	0	0	319.361	2.448	10	5		DEBERN
CCc1nn(C)c(NC[C@H](O)c2ccccc2OC)c1[N+](=O)[O-]	ZINC000179568936	199055747	/nfs/dbraw/zinc/05/57/47/199055747.db2.gz	OIQWBIMPRUDJPB-LBPRGKRZSA-N	0	0	320.349	2.045	10	5		DEBERN
Cc1ccc2c(c1)[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@H](C)C2	ZINC000181105052	199252710	/nfs/dbraw/zinc/25/27/10/199252710.db2.gz	SDTOTLIMCKLFKV-RNCFNFMXSA-N	0	0	300.318	2.290	10	5		DEBERN
CC(=O)N1CC[C@H](CNc2nccc3ccc([N+](=O)[O-])cc32)C1	ZINC000596235584	358648068	/nfs/dbraw/zinc/64/80/68/358648068.db2.gz	XKAWWOONVZINCI-GFCCVEGCSA-N	0	0	314.345	2.423	10	5		DEBERN
CC(=O)c1cc(N2CC[C@H](O)C(F)(F)C2)ccc1[N+](=O)[O-]	ZINC000596433169	358685484	/nfs/dbraw/zinc/68/54/84/358685484.db2.gz	SOMXLJUWWXHLNN-LBPRGKRZSA-N	0	0	300.261	2.004	10	5		DEBERN
COC(=O)[C@@]1(C)CCCN1Cc1cc([N+](=O)[O-])ccc1OC	ZINC000186343944	199945470	/nfs/dbraw/zinc/94/54/70/199945470.db2.gz	TWIOMICBANHQBZ-OAHLLOKOSA-N	0	0	308.334	2.131	10	5		DEBERN
CCC1(CC)CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[S@@]1=O	ZINC000186758976	200005545	/nfs/dbraw/zinc/00/55/45/200005545.db2.gz	PXOXUTAMJSNCMM-QFIPXVFZSA-N	0	0	324.402	2.358	10	5		DEBERN
COc1ccc(C(=O)N(C)[C@H](CO)CC(C)C)cc1[N+](=O)[O-]	ZINC000187123762	200064924	/nfs/dbraw/zinc/06/49/24/200064924.db2.gz	WZMAIQHOYHLTPA-LBPRGKRZSA-N	0	0	310.350	2.082	10	5		DEBERN
C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)C[C@@H]1CCCO1	ZINC000187809192	200159545	/nfs/dbraw/zinc/15/95/45/200159545.db2.gz	JBMOVWZJZYYVTA-NEPJUHHUSA-N	0	0	307.350	2.033	10	5		DEBERN
CO[C@H]1C[C@H](c2nc(C)no2)N(c2ccc([N+](=O)[O-])cc2F)C1	ZINC000189140536	200354811	/nfs/dbraw/zinc/35/48/11/200354811.db2.gz	WNGPZPOYWJFTCK-GXFFZTMASA-N	0	0	322.296	2.392	10	5		DEBERN
CO[C@@H]1C[C@@H](c2nc(C)no2)N(Cc2cccc([N+](=O)[O-])c2)C1	ZINC000190100116	200487915	/nfs/dbraw/zinc/48/79/15/200487915.db2.gz	FQUKCHWRLKUFOJ-KGLIPLIRSA-N	0	0	318.333	2.248	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)CC1CC(O)C1	ZINC000190292844	200513133	/nfs/dbraw/zinc/51/31/33/200513133.db2.gz	AYORBJKFZKXYGW-UHFFFAOYSA-N	0	0	307.350	2.446	10	5		DEBERN
Cc1ccc([C@@H](C)NC(=O)N(C)CC2CC(O)C2)cc1[N+](=O)[O-]	ZINC000190681111	200573456	/nfs/dbraw/zinc/57/34/56/200573456.db2.gz	PJVVXVSZPMFRHM-LKSINWNRSA-N	0	0	321.377	2.377	10	5		DEBERN
Nc1c(C(=O)Nc2ccc3nccn3c2)cc(F)cc1[N+](=O)[O-]	ZINC000609619505	361328939	/nfs/dbraw/zinc/32/89/39/361328939.db2.gz	ZTFPJICQNCAPQY-UHFFFAOYSA-N	0	0	315.264	2.216	10	5		DEBERN
Cc1cnc(N[C@H]2CCc3nc(C(C)C)nn3C2)c([N+](=O)[O-])c1	ZINC000610284129	361380015	/nfs/dbraw/zinc/38/00/15/361380015.db2.gz	ZRRGGGJAIMPPSU-NSHDSACASA-N	0	0	316.365	2.440	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H](Cn3ccnn3)C2)n1	ZINC000611617457	361645432	/nfs/dbraw/zinc/64/54/32/361645432.db2.gz	WSUHVTKXTKSLDW-ZDUSSCGKSA-N	0	0	316.365	2.115	10	5		DEBERN
C[C@H](c1ccccc1[N+](=O)[O-])N1CCO[C@@H](C(=O)C2CC2)C1	ZINC000619781698	363875685	/nfs/dbraw/zinc/87/56/85/363875685.db2.gz	FVMHMSMCWNHVOZ-IAQYHMDHSA-N	0	0	304.346	2.336	10	5		DEBERN
[NH3+][C@@]1(C(=O)[O-])CCC[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)C1	ZINC000093775062	193304802	/nfs/dbraw/zinc/30/48/02/193304802.db2.gz	NQNNQZVZUSMSEC-RNCFNFMXSA-N	0	0	314.725	2.352	10	5		DEBERN
C[NH2+][C@]1(C(=O)[O-])CC[C@@H](Oc2cc([N+](=O)[O-])ccc2Cl)C1	ZINC000093847791	193317422	/nfs/dbraw/zinc/31/74/22/193317422.db2.gz	AKQOFIUXNFEGSD-NOZJJQNGSA-N	0	0	314.725	2.222	10	5		DEBERN
C[NH2+][C@]1(C(=O)[O-])CC[C@@H](Oc2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000093847163	193318053	/nfs/dbraw/zinc/31/80/53/193318053.db2.gz	TWAJMSMENIINJV-NOZJJQNGSA-N	0	0	314.725	2.222	10	5		DEBERN
CCc1ccc(NC(=O)[C@@](C)(N)C(F)(F)F)cc1[N+](=O)[O-]	ZINC000094233755	193353064	/nfs/dbraw/zinc/35/30/64/193353064.db2.gz	ICUMFAZBAVCCFS-LLVKDONJSA-N	0	0	305.256	2.375	10	5		DEBERN
Nc1ccc([N+](=O)[O-])cc1-c1nc([C@H]2CSCCO2)no1	ZINC000094501969	193374645	/nfs/dbraw/zinc/37/46/45/193374645.db2.gz	REILWMGWBOKHTR-SNVBAGLBSA-N	0	0	308.319	2.032	10	5		DEBERN
CCCCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1C	ZINC000094780516	193397900	/nfs/dbraw/zinc/39/79/00/193397900.db2.gz	ZCGCHGKLKHKINX-UHFFFAOYSA-N	0	0	315.395	2.296	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1	ZINC000008218957	181536510	/nfs/dbraw/zinc/53/65/10/181536510.db2.gz	BQEMZQPORRJRFD-NSHDSACASA-N	0	0	319.361	2.489	10	5		DEBERN
O=C(CN1C(=O)CCc2cc([N+](=O)[O-])ccc21)OC1CCCC1	ZINC000096541536	193677607	/nfs/dbraw/zinc/67/76/07/193677607.db2.gz	SONGFWMOWJNBEX-UHFFFAOYSA-N	0	0	318.329	2.360	10	5		DEBERN
CCOC(=O)c1cc(N2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-]	ZINC000267524025	206123789	/nfs/dbraw/zinc/12/37/89/206123789.db2.gz	HFXMMAMWZAMMSQ-QWRGUYRKSA-N	0	0	308.334	2.385	10	5		DEBERN
Cc1ccc(CNc2ncnc(-n3ccnc3)c2[N+](=O)[O-])cc1	ZINC000040650776	183114123	/nfs/dbraw/zinc/11/41/23/183114123.db2.gz	HWNFEVDVNSCCRT-UHFFFAOYSA-N	0	0	310.317	2.491	10	5		DEBERN
Cc1cc(=O)oc2cc(OCC(=O)OC(C)C)c([N+](=O)[O-])cc12	ZINC000040925142	183149253	/nfs/dbraw/zinc/14/92/53/183149253.db2.gz	YEQKUSRBRWSJSW-UHFFFAOYSA-N	0	0	321.285	2.340	10	5		DEBERN
COc1ccc(N)cc1C[S@](=O)c1ccc([N+](=O)[O-])cc1	ZINC000040970166	183153028	/nfs/dbraw/zinc/15/30/28/183153028.db2.gz	WSZWSHXXUWSPGW-OAQYLSRUSA-N	0	0	306.343	2.493	10	5		DEBERN
COc1ccc(C[S@](=O)c2ccccc2[N+](=O)[O-])cc1N	ZINC000040969483	183153054	/nfs/dbraw/zinc/15/30/54/183153054.db2.gz	BYWCWVCRQUPMIY-OAQYLSRUSA-N	0	0	306.343	2.493	10	5		DEBERN
CC(C)C[C@H](C)N(C)S(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1	ZINC000042594072	183289387	/nfs/dbraw/zinc/28/93/87/183289387.db2.gz	BWNVXRYOWFZVMS-JTQLQIEISA-N	0	0	315.395	2.232	10	5		DEBERN
O=[N+]([O-])c1ccnc(NC[C@@H]2CCN(CC(F)(F)F)C2)c1	ZINC000043567786	183372708	/nfs/dbraw/zinc/37/27/08/183372708.db2.gz	QXESBVYTYMBQPI-VIFPVBQESA-N	0	0	304.272	2.286	10	5		DEBERN
CC(C)[NH2+][C@](C)(COc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000045462538	183509959	/nfs/dbraw/zinc/50/99/59/183509959.db2.gz	DWFBGPBJQLBGKM-CYBMUJFWSA-N	0	0	316.741	2.468	10	5		DEBERN
Cc1cnc(N2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)c([N+](=O)[O-])c1	ZINC000284447123	218031199	/nfs/dbraw/zinc/03/11/99/218031199.db2.gz	AYOZRDDWNBFJIW-ZENOOKHLSA-N	0	0	321.377	2.055	10	5		DEBERN
COC[C@H]1CN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)CC(C)(C)O1	ZINC000284889969	218222280	/nfs/dbraw/zinc/22/22/80/218222280.db2.gz	GZNOKQLDJQSEFZ-CYBMUJFWSA-N	0	0	322.361	2.428	10	5		DEBERN
C[C@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@H](Cn2cccn2)C1	ZINC000105889450	194158633	/nfs/dbraw/zinc/15/86/33/194158633.db2.gz	NJRLHBGNJKLMLG-CJNGLKHVSA-N	0	0	316.361	2.253	10	5		DEBERN
CC[NH2+][C@H](COc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000050440697	183786352	/nfs/dbraw/zinc/78/63/52/183786352.db2.gz	IMZJTQRTPWXQHB-SECBINFHSA-N	0	0	323.132	2.343	10	5		DEBERN
CCNc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(C)(C)CC	ZINC000050636366	183793016	/nfs/dbraw/zinc/79/30/16/183793016.db2.gz	VUDPUYHQZYXWCN-UHFFFAOYSA-N	0	0	315.395	2.494	10	5		DEBERN
CNc1ccc(S(=O)(=O)N(C)[C@@H](C)C(C)C)c([N+](=O)[O-])c1	ZINC000050657602	183795618	/nfs/dbraw/zinc/79/56/18/183795618.db2.gz	QDOBIEZKOVQOME-JTQLQIEISA-N	0	0	315.395	2.302	10	5		DEBERN
CCCC[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC	ZINC000050891304	183807481	/nfs/dbraw/zinc/80/74/81/183807481.db2.gz	CYHAENIXNUFXJW-SNVBAGLBSA-N	0	0	315.395	2.494	10	5		DEBERN
C[NH2+][C@@](C)(CCCOc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000051625841	183832154	/nfs/dbraw/zinc/83/21/54/183832154.db2.gz	LGRZALYZLFNDNJ-ZDUSSCGKSA-N	0	0	316.741	2.470	10	5		DEBERN
CNc1c(Cl)cc(C(=O)N(C)CCCOC)cc1[N+](=O)[O-]	ZINC000062033970	184202081	/nfs/dbraw/zinc/20/20/81/184202081.db2.gz	QKEMVLHNIBCGKZ-UHFFFAOYSA-N	0	0	315.757	2.398	10	5		DEBERN
CCOC(=O)[C@H](CCOc1ccc([N+](=O)[O-])c(Cl)c1)NC	ZINC000062595646	184244380	/nfs/dbraw/zinc/24/43/80/184244380.db2.gz	UGILYVKZQDDUSV-NSHDSACASA-N	0	0	316.741	2.168	10	5		DEBERN
CSc1ccc(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1	ZINC000191045927	532956067	/nfs/dbraw/zinc/95/60/67/532956067.db2.gz	KIMYUIWZIZAAGI-UHFFFAOYSA-N	0	0	319.342	2.347	10	5		DEBERN
CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1	ZINC000120030043	195083917	/nfs/dbraw/zinc/08/39/17/195083917.db2.gz	CSGJZNNKQUMKQF-KFWWJZLASA-N	0	0	320.345	2.003	10	5		DEBERN
CNC(=O)[C@H]1CCCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1	ZINC000270101358	208158968	/nfs/dbraw/zinc/15/89/68/208158968.db2.gz	BNHVDBMRQAAMHI-LLVKDONJSA-N	0	0	317.267	2.328	10	5		DEBERN
NC(=O)OCCNc1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000158185628	197251212	/nfs/dbraw/zinc/25/12/12/197251212.db2.gz	JKIYTLGUAJTRQH-UHFFFAOYSA-N	0	0	322.090	2.004	10	5		DEBERN
CCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(NCC)s1	ZINC000157561215	197197467	/nfs/dbraw/zinc/19/74/67/197197467.db2.gz	QKSFBPZLRQDYAC-UHFFFAOYSA-N	0	0	307.397	2.119	10	5		DEBERN
CNc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)C2CCC2)c1	ZINC000157176816	197167414	/nfs/dbraw/zinc/16/74/14/197167414.db2.gz	UGWQEAANVRQHQB-SECBINFHSA-N	0	0	313.379	2.103	10	5		DEBERN
C[C@@H](NC(=O)NCC1(CCO)CC1)c1cccc([N+](=O)[O-])c1	ZINC000190337901	533155741	/nfs/dbraw/zinc/15/57/41/533155741.db2.gz	ZFZOQYMQZLICLR-LLVKDONJSA-N	0	0	307.350	2.118	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C	ZINC000155445023	197056037	/nfs/dbraw/zinc/05/60/37/197056037.db2.gz	ADEHKWZHVPOJJQ-SWLSCSKDSA-N	0	0	305.378	2.362	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CCC1CCOCC1	ZINC000154592587	196977331	/nfs/dbraw/zinc/97/73/31/196977331.db2.gz	WZUAKFVZZNQCED-UHFFFAOYSA-N	0	0	307.350	2.187	10	5		DEBERN
CCCOCCCNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1	ZINC000122028529	195391527	/nfs/dbraw/zinc/39/15/27/195391527.db2.gz	QUGLTZOGFXMQOU-UHFFFAOYSA-N	0	0	315.757	2.377	10	5		DEBERN
CCC(CC)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(NC)c1	ZINC000125495539	195755637	/nfs/dbraw/zinc/75/56/37/195755637.db2.gz	HXZDCUIMSJFZQI-UHFFFAOYSA-N	0	0	315.395	2.351	10	5		DEBERN
C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N)C(C)(C)C	ZINC000125931910	195795573	/nfs/dbraw/zinc/79/55/73/195795573.db2.gz	JFFPJDJDRDMKST-VIFPVBQESA-N	0	0	315.395	2.138	10	5		DEBERN
C/C(=C\c1nc([C@@H](C)NC(N)=O)no1)c1ccc([N+](=O)[O-])cc1	ZINC000362300104	533415393	/nfs/dbraw/zinc/41/53/93/533415393.db2.gz	SFTQBMOLGKAVKY-FCZSHJHJSA-N	0	0	317.305	2.268	10	5		DEBERN
CC(C)(C)OC(=O)C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cn2)C1	ZINC000545474410	285434303	/nfs/dbraw/zinc/43/43/03/285434303.db2.gz	XWOLLSAYCRUIAF-NSHDSACASA-N	0	0	322.365	2.333	10	5		DEBERN
O=C(NC1(C(F)(F)F)CCOCC1)c1ccc([N+](=O)[O-])cc1	ZINC000359872950	133150175	/nfs/dbraw/zinc/15/01/75/133150175.db2.gz	FURVPOALEWDNNQ-UHFFFAOYSA-N	0	0	318.251	2.436	10	5		DEBERN
COC[C@](C)(NC(=O)Cc1cccc([N+](=O)[O-])c1)C(F)(F)F	ZINC000362207688	133217180	/nfs/dbraw/zinc/21/71/80/133217180.db2.gz	LBUNLXOQMXXIEK-LBPRGKRZSA-N	0	0	320.267	2.221	10	5		DEBERN
C[C@@H]1CCOCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl	ZINC000362292157	133222347	/nfs/dbraw/zinc/22/23/47/133222347.db2.gz	ZDHABGJDVZLRFV-SNVBAGLBSA-N	0	0	312.753	2.428	10	5		DEBERN
O=C(NC1CCOCC1)N1CCCc2ccc([N+](=O)[O-])cc21	ZINC000062508864	134809192	/nfs/dbraw/zinc/80/91/92/134809192.db2.gz	VPBQDBPCRWUZAU-UHFFFAOYSA-N	0	0	305.334	2.236	10	5		DEBERN
C[C@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F	ZINC000184735064	144948845	/nfs/dbraw/zinc/94/88/45/144948845.db2.gz	ZSUYXEWPEANRPO-MXWKQRLJSA-N	0	0	310.325	2.473	10	5		DEBERN
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCOC1	ZINC000185341732	144960764	/nfs/dbraw/zinc/96/07/64/144960764.db2.gz	VGZIEPWQSSAYMF-KGLIPLIRSA-N	0	0	306.362	2.459	10	5		DEBERN
O=C(NC[C@@H]1C[C@@H]1c1ccccc1)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000188468312	145012978	/nfs/dbraw/zinc/01/29/78/145012978.db2.gz	DPKOCTGDBSPKBB-WCQYABFASA-N	0	0	313.313	2.229	10	5		DEBERN
COc1cc(C(=O)NCc2cscn2)cc([N+](=O)[O-])c1C	ZINC000190771406	145048138	/nfs/dbraw/zinc/04/81/38/145048138.db2.gz	IJWSUBGMTZWZPA-UHFFFAOYSA-N	0	0	307.331	2.298	10	5		DEBERN
CN(C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)NC(C)(C)C	ZINC000255378564	145203769	/nfs/dbraw/zinc/20/37/69/145203769.db2.gz	NSXMTPDYXTYORC-CLFYSBASSA-N	0	0	305.378	2.455	10	5		DEBERN
CSCCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C	ZINC000128861682	401795295	/nfs/dbraw/zinc/79/52/95/401795295.db2.gz	YTQNDYHQCIZIBY-UHFFFAOYSA-N	0	0	318.420	2.325	10	5		DEBERN
Cn1cc([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)cn1	ZINC000116115109	401842583	/nfs/dbraw/zinc/84/25/83/401842583.db2.gz	RNRCOOPPKOIYTC-SNVBAGLBSA-N	0	0	318.308	2.097	10	5		DEBERN
CCCc1[nH]nc(C(=O)Nc2ncc(C(C)=O)s2)c1[N+](=O)[O-]	ZINC000119141224	401928219	/nfs/dbraw/zinc/92/82/19/401928219.db2.gz	ZJXQTKNFHHCJEM-UHFFFAOYSA-N	0	0	323.334	2.182	10	5		DEBERN
CCCC[C@@H](NC(=O)NCC)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000136254396	401964414	/nfs/dbraw/zinc/96/44/14/401964414.db2.gz	DIVQOUKPIKCYRQ-CYBMUJFWSA-N	0	0	322.365	2.411	10	5		DEBERN
CCOC(=O)CC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000089804353	401964971	/nfs/dbraw/zinc/96/49/71/401964971.db2.gz	ILNVGSMIZKWJFS-VIFPVBQESA-N	0	0	312.297	2.196	10	5		DEBERN
CSc1ccc(C(=O)NC[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-]	ZINC000089162925	401937931	/nfs/dbraw/zinc/93/79/31/401937931.db2.gz	CQZCQDLTMSLNFJ-PWSUYJOCSA-N	0	0	310.375	2.208	10	5		DEBERN
COCCc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)n(C)n1	ZINC000123013964	402106117	/nfs/dbraw/zinc/10/61/17/402106117.db2.gz	UGROOVDYNZEFCI-UHFFFAOYSA-N	0	0	318.333	2.078	10	5		DEBERN
O=C(c1c(Cl)cccc1[N+](=O)[O-])N1C[C@@H]2CC[C@@H](O)[C@@H]2C1	ZINC000124884949	402202110	/nfs/dbraw/zinc/20/21/10/402202110.db2.gz	GYZKDDJHSJXWJF-YGOYTEALSA-N	0	0	310.737	2.091	10	5		DEBERN
Cc1c(C(=O)N(C)C[C@@H]2CCCO2)cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000102897404	402174026	/nfs/dbraw/zinc/17/40/26/402174026.db2.gz	JJPBPPHFQOYVOD-NSHDSACASA-N	0	0	323.305	2.062	10	5		DEBERN
C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1	ZINC000126020618	402260270	/nfs/dbraw/zinc/26/02/70/402260270.db2.gz	XZBZNZKWPJYVHA-YGRLFVJLSA-N	0	0	324.768	2.156	10	5		DEBERN
CCCc1n[nH]c(C(=O)NCCc2ccsc2)c1[N+](=O)[O-]	ZINC000109428841	402272225	/nfs/dbraw/zinc/27/22/25/402272225.db2.gz	OTZHPXTVRYYMBV-UHFFFAOYSA-N	0	0	308.363	2.304	10	5		DEBERN
CCOc1cccnc1C(=O)NCCc1ccc([N+](=O)[O-])cc1	ZINC000176157508	402285169	/nfs/dbraw/zinc/28/51/69/402285169.db2.gz	UKZXBZJXHNQILM-UHFFFAOYSA-N	0	0	315.329	2.361	10	5		DEBERN
Cc1ccc([C@H](C)NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1F	ZINC000176225801	402292551	/nfs/dbraw/zinc/29/25/51/402292551.db2.gz	ZUINGWIZYUDOKM-JTQLQIEISA-N	0	0	306.297	2.116	10	5		DEBERN
COc1cc(C(=O)NCc2cccc(C)n2)ccc1[N+](=O)[O-]	ZINC000160650096	402355642	/nfs/dbraw/zinc/35/56/42/402355642.db2.gz	HJKFSJBLMFHADA-UHFFFAOYSA-N	0	0	301.302	2.237	10	5		DEBERN
O=C(c1ccc([N+](=O)[O-])o1)N1CCO[C@H](c2cccs2)C1	ZINC000161380821	402384903	/nfs/dbraw/zinc/38/49/03/402384903.db2.gz	PRPMVNQXEWTOLA-JTQLQIEISA-N	0	0	308.315	2.463	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cnn(C)c1C	ZINC000185193358	402332699	/nfs/dbraw/zinc/33/26/99/402332699.db2.gz	PJKVVYQEVNTRFT-DHZHZOJOSA-N	0	0	314.345	2.356	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1Cn1ccnc1	ZINC000177749093	402432361	/nfs/dbraw/zinc/43/23/61/402432361.db2.gz	QYYBUYDDFQJGAH-CQSZACIVSA-N	0	0	314.345	2.405	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[C@H](C(N)=O)C1	ZINC000163094591	402441051	/nfs/dbraw/zinc/44/10/51/402441051.db2.gz	YHDFNCHOHIYZJY-QWRGUYRKSA-N	0	0	320.349	2.069	10	5		DEBERN
C[C@@H]1OCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]1C	ZINC000166174570	402482054	/nfs/dbraw/zinc/48/20/54/402482054.db2.gz	QBZHUSZWTNUZIB-UWVGGRQHSA-N	0	0	303.318	2.326	10	5		DEBERN
COC(=O)c1cncc(NC(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000178390763	402492966	/nfs/dbraw/zinc/49/29/66/402492966.db2.gz	DPSQGLVVFHRCAJ-UHFFFAOYSA-N	0	0	301.258	2.029	10	5		DEBERN
Cc1cc(C(=O)NCCCc2ccccn2)c(N)c([N+](=O)[O-])c1	ZINC000179073133	402570640	/nfs/dbraw/zinc/57/06/40/402570640.db2.gz	JXUXBGOMYWKAHE-UHFFFAOYSA-N	0	0	314.345	2.243	10	5		DEBERN
O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](C(F)(F)F)C1	ZINC000179193282	402579492	/nfs/dbraw/zinc/57/94/92/402579492.db2.gz	AUPWJAWUWUVYBI-JTQLQIEISA-N	0	0	319.283	2.031	10	5		DEBERN
COc1cc(CN2[C@@H](C)CC(O)C[C@@H]2C)c([N+](=O)[O-])cc1F	ZINC000191176946	402648733	/nfs/dbraw/zinc/64/87/33/402648733.db2.gz	UCGZDAQXLPYQRL-UWVGGRQHSA-N	0	0	312.341	2.476	10	5		DEBERN
CO[C@@H]1CN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@H]1C	ZINC000253339782	402662206	/nfs/dbraw/zinc/66/22/06/402662206.db2.gz	ANQPOUNDEGHAIU-LALPHHSUSA-N	0	0	321.377	2.279	10	5		DEBERN
CC(C)[C@H](C)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000172666170	402669122	/nfs/dbraw/zinc/66/91/22/402669122.db2.gz	AOHSBWPZSCENPT-LLVKDONJSA-N	0	0	300.380	2.306	10	5		DEBERN
CNC(=O)Cc1nc(COc2ccc(C)cc2[N+](=O)[O-])cs1	ZINC000174144835	402728513	/nfs/dbraw/zinc/72/85/13/402728513.db2.gz	YBHVLQBMOIUOEF-UHFFFAOYSA-N	0	0	321.358	2.227	10	5		DEBERN
CC(C)c1nc([C@H]2CCCN2CCn2cc([N+](=O)[O-])cn2)no1	ZINC000174838601	402759461	/nfs/dbraw/zinc/75/94/61/402759461.db2.gz	IISHOZLZUZDYBP-GFCCVEGCSA-N	0	0	320.353	2.135	10	5		DEBERN
CC1(CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCC1	ZINC000175097435	402779191	/nfs/dbraw/zinc/77/91/91/402779191.db2.gz	DIUKIDGWQSYWQI-UHFFFAOYSA-N	0	0	315.329	2.356	10	5		DEBERN
CC[C@@H](NC(=O)c1cc(OC)no1)c1cccc([N+](=O)[O-])c1	ZINC000182874594	402723609	/nfs/dbraw/zinc/72/36/09/402723609.db2.gz	HUFIUFJEFOVYCG-LLVKDONJSA-N	0	0	305.290	2.473	10	5		DEBERN
C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc([N+](=O)[O-])s1	ZINC000175724864	402826563	/nfs/dbraw/zinc/82/65/63/402826563.db2.gz	PSEKYKFXHBYZBG-MRVPVSSYSA-N	0	0	314.363	2.459	10	5		DEBERN
CC(C)[C@@H](C)NC(=O)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1	ZINC000301134271	403593687	/nfs/dbraw/zinc/59/36/87/403593687.db2.gz	WXEGHXNZPYEYGG-GFCCVEGCSA-N	0	0	320.393	2.367	10	5		DEBERN
CC(=O)N1CCC(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1	ZINC000341253683	403867912	/nfs/dbraw/zinc/86/79/12/403867912.db2.gz	ABGZJDCFNGSGCC-NSHDSACASA-N	0	0	319.361	2.031	10	5		DEBERN
O=[N+]([O-])c1ccc(Cl)c(CN2CCOC[C@@H]2c2ncon2)c1	ZINC000369834812	404245139	/nfs/dbraw/zinc/24/51/39/404245139.db2.gz	LSYWAOHEPRFFSL-GFCCVEGCSA-N	0	0	324.724	2.205	10	5		DEBERN
CCOc1ccc(C(=O)N2CCOC[C@@H](C)C2)cc1[N+](=O)[O-]	ZINC000378263622	404911221	/nfs/dbraw/zinc/91/12/21/404911221.db2.gz	ZNVOYGZIIDBFPL-NSHDSACASA-N	0	0	308.334	2.102	10	5		DEBERN
CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1	ZINC000367291793	404998314	/nfs/dbraw/zinc/99/83/14/404998314.db2.gz	VKCFTHFUBGQATO-ZVWUFJHRSA-N	0	0	317.345	2.219	10	5		DEBERN
O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O	ZINC000407961567	405076322	/nfs/dbraw/zinc/07/63/22/405076322.db2.gz	IBTHDDDBMNBLJO-YUTCNCBUSA-N	0	0	307.350	2.079	10	5		DEBERN
CC[C@H]1C[C@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CCO1	ZINC000408163886	405129466	/nfs/dbraw/zinc/12/94/66/405129466.db2.gz	FHFJRRKDUWVCKT-RISCZKNCSA-N	0	0	319.361	2.080	10	5		DEBERN
C/C=C\C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OCC	ZINC000361534097	405119760	/nfs/dbraw/zinc/11/97/60/405119760.db2.gz	URKKUXRIEGTURO-DXTPNHAXSA-N	0	0	306.318	2.223	10	5		DEBERN
COC[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1ccc(F)cc1	ZINC000437387310	405198257	/nfs/dbraw/zinc/19/82/57/405198257.db2.gz	ULGQNCQCSFWBSY-LBPRGKRZSA-N	0	0	321.308	2.190	10	5		DEBERN
CC(=O)c1cc([N+](=O)[O-])ccc1OCc1cn(CC2CC2)nn1	ZINC000418926246	405213780	/nfs/dbraw/zinc/21/37/80/405213780.db2.gz	UJSCCPJITRULFI-UHFFFAOYSA-N	0	0	316.317	2.378	10	5		DEBERN
CC(C)c1ccc(C(=O)NC[C@H](O)C(F)(F)F)cc1[N+](=O)[O-]	ZINC000439516893	405284138	/nfs/dbraw/zinc/28/41/38/405284138.db2.gz	QRSVNZBYHBETGK-NSHDSACASA-N	0	0	320.267	2.371	10	5		DEBERN
Cc1nn(C)cc1CC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C	ZINC000448570212	405421425	/nfs/dbraw/zinc/42/14/25/405421425.db2.gz	SOKBOXXNCHIIDP-UHFFFAOYSA-N	0	0	302.334	2.435	10	5		DEBERN
Cc1nn(C)cc1CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1	ZINC000450121196	405746709	/nfs/dbraw/zinc/74/67/09/405746709.db2.gz	UTMPFYRQMLMMGJ-UHFFFAOYSA-N	0	0	316.361	2.231	10	5		DEBERN
CCc1n[nH]c(C(=O)N[C@H]2CCCC(F)(F)C2)c1[N+](=O)[O-]	ZINC000488972058	406366171	/nfs/dbraw/zinc/36/61/71/406366171.db2.gz	BCNNJACXJYDYCB-ZETCQYMHSA-N	0	0	302.281	2.188	10	5		DEBERN
CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H](C(C)(C)C)[C@@H](O)C1	ZINC000571594917	406540959	/nfs/dbraw/zinc/54/09/59/406540959.db2.gz	UBMBBPVNMSVRHJ-RYUDHWBXSA-N	0	0	310.398	2.353	10	5		DEBERN
CCOc1cc([N+](=O)[O-])cc(C=O)c1I	ZINC000575698495	406819558	/nfs/dbraw/zinc/81/95/58/406819558.db2.gz	SHERHIOVKFAAMZ-UHFFFAOYSA-N	0	0	321.070	2.411	10	5		DEBERN
CCOc1cc(I)cc([N+](=O)[O-])c1C=O	ZINC000575697760	406819738	/nfs/dbraw/zinc/81/97/38/406819738.db2.gz	KLJYQZKTCWTGDZ-UHFFFAOYSA-N	0	0	321.070	2.411	10	5		DEBERN
COC(=O)Cc1c(Br)cc([N+](=O)[O-])cc1OC	ZINC000575712761	406822170	/nfs/dbraw/zinc/82/21/70/406822170.db2.gz	PUKUUDXSGWKUGY-UHFFFAOYSA-N	0	0	304.096	2.081	10	5		DEBERN
CC(C)[C@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131168825	196146702	/nfs/dbraw/zinc/14/67/02/196146702.db2.gz	RPHQCEYKJPFQJK-VIFPVBQESA-N	0	0	304.343	2.399	10	5		DEBERN
CSC[C@@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131229530	196152319	/nfs/dbraw/zinc/15/23/19/196152319.db2.gz	BTCNASJVYBEMTL-QMMMGPOBSA-N	0	0	322.383	2.011	10	5		DEBERN
CCOC(=O)c1ccnc(N[C@](C)(CC)CCO)c1[N+](=O)[O-]	ZINC000131840462	196203711	/nfs/dbraw/zinc/20/37/11/196203711.db2.gz	NVMDYDFKRGRHJJ-CQSZACIVSA-N	0	0	311.338	2.130	10	5		DEBERN
CCS(=O)(=O)C[C@H](C)Nc1cc(C)c(C)cc1[N+](=O)[O-]	ZINC000132268749	196240574	/nfs/dbraw/zinc/24/05/74/196240574.db2.gz	SJFDOEGIKIVXGZ-NSHDSACASA-N	0	0	300.380	2.447	10	5		DEBERN
CNc1cc(S(=O)(=O)N[C@H]2CCC[C@H]2C)ccc1[N+](=O)[O-]	ZINC000132594611	196268833	/nfs/dbraw/zinc/26/88/33/196268833.db2.gz	ZRWJEEYCTZJXBS-KOLCDFICSA-N	0	0	313.379	2.103	10	5		DEBERN
CCCNc1ncnc(N(C)Cc2cscn2)c1[N+](=O)[O-]	ZINC000132671972	196274879	/nfs/dbraw/zinc/27/48/79/196274879.db2.gz	LSKKYNUDSQQHIG-UHFFFAOYSA-N	0	0	308.367	2.300	10	5		DEBERN
C[C@](CO)(Nc1ncnc(Cl)c1[N+](=O)[O-])c1ccccc1	ZINC000134368989	196382575	/nfs/dbraw/zinc/38/25/75/196382575.db2.gz	SOSFDEPHUOXVGR-CYBMUJFWSA-N	0	0	308.725	2.358	10	5		DEBERN
O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC(c2cc[nH]n2)CC1	ZINC000134383318	196384628	/nfs/dbraw/zinc/38/46/28/196384628.db2.gz	NRIPUEFDMNEUCS-UHFFFAOYSA-N	0	0	318.308	2.477	10	5		DEBERN
CC[C@H]1CC[C@H](C)N1S(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1	ZINC000136510449	196539935	/nfs/dbraw/zinc/53/99/35/196539935.db2.gz	LQPGACSNSKLKNB-UWVGGRQHSA-N	0	0	313.379	2.129	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(F)c(F)c2)n1	ZINC000191497812	225111429	/nfs/dbraw/zinc/11/14/29/225111429.db2.gz	PJHAZHPXGPVFPU-UHFFFAOYSA-N	0	0	324.287	2.362	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(Cl)s2)n1	ZINC000191523189	225112027	/nfs/dbraw/zinc/11/20/27/225112027.db2.gz	XVGZBEPQFFHDKO-UHFFFAOYSA-N	0	0	314.754	2.456	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)n1	ZINC000191578653	225112739	/nfs/dbraw/zinc/11/27/39/225112739.db2.gz	IUYMBGJOSMPNIG-VXGBXAGGSA-N	0	0	318.308	2.236	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NC/C=C/c2ccccc2)n1	ZINC000191614290	225113905	/nfs/dbraw/zinc/11/39/05/225113905.db2.gz	FIPSFUJADLVZKT-RMKNXTFCSA-N	0	0	300.318	2.254	10	5		DEBERN
Cc1cc(NCCC(=O)N(C)C)c2cccc([N+](=O)[O-])c2n1	ZINC000302044660	230059858	/nfs/dbraw/zinc/05/98/58/230059858.db2.gz	XORZWRBOUGRTQX-UHFFFAOYSA-N	0	0	302.334	2.342	10	5		DEBERN
COCC1(CNc2ccc3ncc([N+](=O)[O-])n3n2)CCCCC1	ZINC000357782643	424820040	/nfs/dbraw/zinc/82/00/40/424820040.db2.gz	NPWHOZIHXALLPE-UHFFFAOYSA-N	0	0	319.365	2.646	10	5		DEBERN
Cc1nn(C)c(C)c1CCNC(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000193560326	424869288	/nfs/dbraw/zinc/86/92/88/424869288.db2.gz	TXZMQIIIILGYQR-UHFFFAOYSA-N	0	0	320.324	2.057	10	5		DEBERN
C[C@@H]1CC[C@H](C)CN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-]	ZINC000175192282	424863349	/nfs/dbraw/zinc/86/33/49/424863349.db2.gz	ZTVPTCXMWRDHLH-NWDGAFQWSA-N	0	0	320.345	2.433	10	5		DEBERN
O=C(N[C@@H]1CCCn2ncnc21)c1ccc([N+](=O)[O-])cc1Cl	ZINC000177560802	424863556	/nfs/dbraw/zinc/86/35/56/424863556.db2.gz	GWNAVNMROYZORE-LLVKDONJSA-N	0	0	321.724	2.105	10	5		DEBERN
CNc1ccc(C(=O)NCCOCC2CCC2)cc1[N+](=O)[O-]	ZINC000518272224	269397896	/nfs/dbraw/zinc/39/78/96/269397896.db2.gz	ADOSTHFCZGVJKA-UHFFFAOYSA-N	0	0	307.350	2.183	10	5		DEBERN
C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@@H]1C[C@]12CCOC2	ZINC000364941337	278038513	/nfs/dbraw/zinc/03/85/13/278038513.db2.gz	KNMQIGKJBAPUNJ-HICWGWBUSA-N	0	0	302.330	2.299	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCO[C@@]2(CCOC2)C1	ZINC000249046020	281020531	/nfs/dbraw/zinc/02/05/31/281020531.db2.gz	VVSYEKJCEIZHRF-CJNGLKHVSA-N	0	0	306.362	2.456	10	5		DEBERN
Cc1cc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc(C)c1Cl	ZINC000442415896	533953286	/nfs/dbraw/zinc/95/32/86/533953286.db2.gz	GCIPGXBOCVALHJ-UHFFFAOYSA-N	0	0	309.713	2.095	10	5		DEBERN
Cc1noc(CCNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)n1	ZINC000127726985	526609263	/nfs/dbraw/zinc/60/92/63/526609263.db2.gz	OUBVBYVSYOGHIB-UHFFFAOYSA-N	0	0	319.321	2.267	10	5		DEBERN
Cc1sc(C(=O)N(C)[C@H](C)C(=O)OC(C)C)cc1[N+](=O)[O-]	ZINC000130251774	526871224	/nfs/dbraw/zinc/87/12/24/526871224.db2.gz	STFCLPCKRBHWHN-MRVPVSSYSA-N	0	0	314.363	2.377	10	5		DEBERN
Cc1nc(CNc2ncc([N+](=O)[O-])cc2Br)no1	ZINC000226357594	526900977	/nfs/dbraw/zinc/90/09/77/526900977.db2.gz	OWEVJYJXUOWDSH-UHFFFAOYSA-N	0	0	314.099	2.056	10	5		DEBERN
CCN(CC)C(=O)C1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1	ZINC000301625046	527988503	/nfs/dbraw/zinc/98/85/03/527988503.db2.gz	GXIUNSGCDHAVMX-UHFFFAOYSA-N	0	0	320.393	2.383	10	5		DEBERN
CCC1(CC)CN(c2ccc([N+](=O)[O-])c(C)n2)CC[S@@]1=O	ZINC000302217386	529085638	/nfs/dbraw/zinc/08/56/38/529085638.db2.gz	JQANNCGKILVQAR-OAQYLSRUSA-N	0	0	311.407	2.426	10	5		DEBERN
CC(C)(C)OC(=O)N1CC(c2nc(Cl)ncc2[N+](=O)[O-])C1	ZINC000536952478	563469599	/nfs/dbraw/zinc/46/95/99/563469599.db2.gz	CNCLYFMDIJSFFD-UHFFFAOYSA-N	0	0	314.729	2.373	10	5		DEBERN
CCc1ccc(C(=O)OCCN2CCCCC2=O)cc1[N+](=O)[O-]	ZINC000177620680	623482434	/nfs/dbraw/zinc/48/24/34/623482434.db2.gz	BSMADKSSDWPMIN-UHFFFAOYSA-N	0	0	320.345	2.327	10	5		DEBERN
Cc1cc(F)cc(C(=O)NC[C@@H]2CCCC[C@@H]2O)c1[N+](=O)[O-]	ZINC000176244932	624701955	/nfs/dbraw/zinc/70/19/55/624701955.db2.gz	QOZHRWZBTCUKDW-GWCFXTLKSA-N	0	0	310.325	2.323	10	5		DEBERN
CC(C)Cc1ccc(COC(=O)Cn2cnc([N+](=O)[O-])n2)cc1	ZINC000725925072	633499306	/nfs/dbraw/zinc/49/93/06/633499306.db2.gz	HRUYZWAFMBFGOH-UHFFFAOYSA-N	0	0	318.333	2.128	10	5		DEBERN
O=C(Cc1cccc(O)c1)OCC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000728336416	639100117	/nfs/dbraw/zinc/10/01/17/639100117.db2.gz	YFKJLMJGLVDDTP-UHFFFAOYSA-N	0	0	315.281	2.269	10	5		DEBERN
O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)C1=COCCC1	ZINC000751663134	639104043	/nfs/dbraw/zinc/10/40/43/639104043.db2.gz	QMXLHBBFJQFNRW-UHFFFAOYSA-N	0	0	304.258	2.474	10	5		DEBERN
C/C(=C\C(=O)N1CCN(C2CC2)CC1)c1ccc([N+](=O)[O-])cc1	ZINC000751673145	639105221	/nfs/dbraw/zinc/10/52/21/639105221.db2.gz	YWIAATHKLBJCAT-OUKQBFOZSA-N	0	0	315.373	2.305	10	5		DEBERN
Cc1cc(Cl)c(S(=O)(=O)NC[C@@H]2C[C@@H]2C)cc1[N+](=O)[O-]	ZINC000752234950	639165600	/nfs/dbraw/zinc/16/56/00/639165600.db2.gz	OLDPSZMINVRSRP-CBAPKCEASA-N	0	0	318.782	2.491	10	5		DEBERN
C/C(=C/C(=O)N(C)Cc1cn[nH]c1)c1ccc([N+](=O)[O-])cc1	ZINC000752394825	639180532	/nfs/dbraw/zinc/18/05/32/639180532.db2.gz	ZCSIVIJAELMOCM-XFFZJAGNSA-N	0	0	300.318	2.380	10	5		DEBERN
C/C(=C/C(=O)N1C[C@H]2CC[C@@H](C1)O2)c1ccc([N+](=O)[O-])cc1	ZINC000752489305	639189638	/nfs/dbraw/zinc/18/96/38/639189638.db2.gz	LCAVRDXVPMXUQS-LDPUDYSASA-N	0	0	302.330	2.388	10	5		DEBERN
C/C(=C\C(=O)NC[C@](C)(O)C1CC1)c1ccc([N+](=O)[O-])cc1	ZINC000752494104	639190785	/nfs/dbraw/zinc/19/07/85/639190785.db2.gz	GBCNOBOEJYXXMM-SOGBHIHOSA-N	0	0	304.346	2.275	10	5		DEBERN
C/C(=C\C(=O)N1CC[C@H]([C@H](C)O)C1)c1ccc([N+](=O)[O-])cc1	ZINC000752771892	639218677	/nfs/dbraw/zinc/21/86/77/639218677.db2.gz	MOJHFRCBDCJFOL-ZFYXDYSTSA-N	0	0	304.346	2.227	10	5		DEBERN
O=C(OCC(F)(F)F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	ZINC000078236780	640470084	/nfs/dbraw/zinc/47/00/84/640470084.db2.gz	YCYKLJPRAUMRRS-UHFFFAOYSA-N	0	0	315.207	2.500	10	5		DEBERN
C/C(=C\C(=O)NC[C@@H](CO)C(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000805320275	640848256	/nfs/dbraw/zinc/84/82/56/640848256.db2.gz	JHTNSHGMNPEEAW-BCNIOPEESA-N	0	0	306.362	2.379	10	5		DEBERN
COC1CC(Nc2c(Br)cncc2[N+](=O)[O-])C1	ZINC000230593793	646740138	/nfs/dbraw/zinc/74/01/38/646740138.db2.gz	MFHGMKFLOPLWMS-UHFFFAOYSA-N	0	0	302.128	2.342	10	5		DEBERN
Cc1nn(C)cc1NC(=O)CCNc1ccccc1[N+](=O)[O-]	ZINC000172752788	646749700	/nfs/dbraw/zinc/74/97/00/646749700.db2.gz	RCKRDFNYNSBTKK-UHFFFAOYSA-N	0	0	303.322	2.077	10	5		DEBERN
CC(C)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000036841436	683881582	/nfs/dbraw/zinc/88/15/82/683881582.db2.gz	FTJWGOHFSNFFDU-GFCCVEGCSA-N	0	0	321.377	2.206	10	5		DEBERN
CN(C)C(=O)C1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1	ZINC000047541705	683910487	/nfs/dbraw/zinc/91/04/87/683910487.db2.gz	BYVLUIVZCKWIBA-UHFFFAOYSA-N	0	0	309.341	2.034	10	5		DEBERN
Cc1ccc(OC(=O)CCOC[C@H]2CCCO2)c([N+](=O)[O-])c1	ZINC000078796450	683967866	/nfs/dbraw/zinc/96/78/66/683967866.db2.gz	VFCIIWOPFMJUTI-GFCCVEGCSA-N	0	0	309.318	2.394	10	5		DEBERN
CC[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000132892718	684214649	/nfs/dbraw/zinc/21/46/49/684214649.db2.gz	YQFWLQJRQWPTQP-SNVBAGLBSA-N	0	0	319.277	2.107	10	5		DEBERN
COCCCCS(=O)(=O)Oc1ccc([N+](=O)[O-])c(Cl)c1	ZINC000133801773	684222969	/nfs/dbraw/zinc/22/29/69/684222969.db2.gz	IDPSIMJFWWPTQN-UHFFFAOYSA-N	0	0	323.754	2.383	10	5		DEBERN
CC(=O)CCN(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1	ZINC000135578810	684236399	/nfs/dbraw/zinc/23/63/99/684236399.db2.gz	AKRYRJIQZZCZDX-UHFFFAOYSA-N	0	0	305.334	2.220	10	5		DEBERN
O=[N+]([O-])c1cc(F)c(Cl)cc1NCC[C@@]1(O)CCOC1	ZINC000404220073	802009052	/nfs/dbraw/zinc/00/90/52/802009052.db2.gz	RZJCNZQLXQMBMG-GFCCVEGCSA-N	0	0	304.705	2.341	10	5		DEBERN
Cc1cc(S(=O)(=O)NCC[C@H](C)F)cc([N+](=O)[O-])c1F	ZINC000705764578	1086623656	/nfs/dbraw/zinc/62/36/56/1086623656.db2.gz	MAUAXHXTXFIRRB-QMMMGPOBSA-N	0	0	308.306	2.069	10	5		DEBERN
Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000081163572	282098864	/nfs/dbraw/zinc/09/88/64/282098864.db2.gz	NGKARAHMYJQWIV-LBPRGKRZSA-N	0	0	316.321	2.151	10	5		DEBERN
Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cc(C)c2=O)cc1	ZINC000096778095	185387105	/nfs/dbraw/zinc/38/71/05/185387105.db2.gz	ITLUZXXGFIRDPN-UHFFFAOYSA-N	0	0	301.302	2.012	10	5		DEBERN
Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CCc2cc(Cl)ccc21	ZINC000163747385	197647890	/nfs/dbraw/zinc/64/78/90/197647890.db2.gz	JASNNQZWKXHWAV-NSHDSACASA-N	0	0	320.736	2.399	10	5		DEBERN
CC[C@H]1CN(c2ccccc2)CCN1c1c([N+](=O)[O-])ncn1C	ZINC000613114287	362007092	/nfs/dbraw/zinc/00/70/92/362007092.db2.gz	TYWZDGMVQRBFJD-ZDUSSCGKSA-N	0	0	315.377	2.434	10	5		DEBERN
COC(COc1ccc(Br)cc1[N+](=O)[O-])OC	ZINC000090358830	185292262	/nfs/dbraw/zinc/29/22/62/185292262.db2.gz	MLEMVRXHUXABGD-UHFFFAOYSA-N	0	0	306.112	2.355	10	5		DEBERN
O=C1Nc2ccccc2[C@@]12CCN(c1ccc([N+](=O)[O-])nc1)C2	ZINC000614524448	362401860	/nfs/dbraw/zinc/40/18/60/362401860.db2.gz	IKAQNZCIYWRBKG-INIZCTEOSA-N	0	0	310.313	2.090	10	5		DEBERN
CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)C	ZINC000050636992	190679944	/nfs/dbraw/zinc/67/99/44/190679944.db2.gz	KFKKBCCJDZYIIC-UHFFFAOYSA-N	0	0	301.368	2.103	10	5		DEBERN
CCCNc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(C)(C)C	ZINC000050636738	190680132	/nfs/dbraw/zinc/68/01/32/190680132.db2.gz	WSDWMSZDLHVQTN-UHFFFAOYSA-N	0	0	315.395	2.494	10	5		DEBERN
Cc1cc(COCC(=O)N(C)Cc2ccccc2[N+](=O)[O-])on1	ZINC000193341301	282348224	/nfs/dbraw/zinc/34/82/24/282348224.db2.gz	JPHOXMVIZVYTDB-UHFFFAOYSA-N	0	0	319.317	2.066	10	5		DEBERN
Cc1nn(C)c(C(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)c1[N+](=O)[O-]	ZINC000248385424	282507191	/nfs/dbraw/zinc/50/71/91/282507191.db2.gz	IKPLNZMSPPGCOG-MVWJERBFSA-N	0	0	306.366	2.287	10	5		DEBERN
CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1	ZINC000126594467	185876811	/nfs/dbraw/zinc/87/68/11/185876811.db2.gz	DJSQBTOORRTRAH-KFWWJZLASA-N	0	0	320.345	2.003	10	5		DEBERN
CCCCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC	ZINC000070469140	190900519	/nfs/dbraw/zinc/90/05/19/190900519.db2.gz	DFUKQUFCUZBOIU-UHFFFAOYSA-N	0	0	315.395	2.495	10	5		DEBERN
CN1C[C@@H](Nc2ccc3scnc3c2[N+](=O)[O-])CCC1=O	ZINC000084089286	192402025	/nfs/dbraw/zinc/40/20/25/192402025.db2.gz	BIFGCRKAOXXQDB-QMMMGPOBSA-N	0	0	306.347	2.237	10	5		DEBERN
C[C@@H](C[C@@](C)([NH3+])C(=O)[O-])Oc1cc([N+](=O)[O-])ccc1Cl	ZINC000084397920	192428206	/nfs/dbraw/zinc/42/82/06/192428206.db2.gz	PTMXNUNXUIDQDO-JVXZTZIISA-N	0	0	302.714	2.208	10	5		DEBERN
C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ncc[nH]1	ZINC000141016822	186029032	/nfs/dbraw/zinc/02/90/32/186029032.db2.gz	XLUUFMDEZFSYTM-VIFPVBQESA-N	0	0	306.347	2.287	10	5		DEBERN
CN(C)Nc1ccc(I)cc1[N+](=O)[O-]	ZINC000148222314	186043860	/nfs/dbraw/zinc/04/38/60/186043860.db2.gz	SRXYPIIQDGYMSS-UHFFFAOYSA-N	0	0	307.091	2.088	10	5		DEBERN
C[C@@H](N)c1nc(C(=O)Nc2ccc([N+](=O)[O-])c(F)c2)cs1	ZINC000148998657	186047417	/nfs/dbraw/zinc/04/74/17/186047417.db2.gz	HDPXETXTILFKLO-ZCFIWIBFSA-N	0	0	310.310	2.462	10	5		DEBERN
COc1ccc(C[S@](=O)c2cccc(N)c2)cc1[N+](=O)[O-]	ZINC000150131980	186054777	/nfs/dbraw/zinc/05/47/77/186054777.db2.gz	MEUPXHZKFCUAGV-OAQYLSRUSA-N	0	0	306.343	2.493	10	5		DEBERN
Nc1ncnc(Sc2ncnc3ccccc32)c1[N+](=O)[O-]	ZINC000150271644	186056070	/nfs/dbraw/zinc/05/60/70/186056070.db2.gz	JOKNMWRDVLUTCP-UHFFFAOYSA-N	0	0	300.303	2.061	10	5		DEBERN
COC(=O)c1cc(C)nc(NC[C@H]2CCCC[C@H]2O)c1[N+](=O)[O-]	ZINC000287163236	219352837	/nfs/dbraw/zinc/35/28/37/219352837.db2.gz	FUNNWJXENFFSHP-ZYHUDNBSSA-N	0	0	323.349	2.048	10	5		DEBERN
Cn1cc([C@H]2CCCN2C(=O)c2csc([N+](=O)[O-])c2)cn1	ZINC000171349484	197921915	/nfs/dbraw/zinc/92/19/15/197921915.db2.gz	PIQJSHZGFONAKI-LLVKDONJSA-N	0	0	306.347	2.367	10	5		DEBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC(C(C)(C)C)CC1	ZINC000172300267	198073565	/nfs/dbraw/zinc/07/35/65/198073565.db2.gz	WYWRGZJPFNQLDF-UHFFFAOYSA-N	0	0	308.382	2.384	10	5		DEBERN
O=C(Cc1cccc([N+](=O)[O-])c1)N1CCO[C@@H]2CCCC[C@H]21	ZINC000172826952	198154528	/nfs/dbraw/zinc/15/45/28/198154528.db2.gz	HBRZZZRTZSNUJY-HUUCEWRRSA-N	0	0	304.346	2.307	10	5		DEBERN
C[C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])c1cccnc1	ZINC000173687681	198240354	/nfs/dbraw/zinc/24/03/54/198240354.db2.gz	CPXPNEUTXRFJAL-LBPRGKRZSA-N	0	0	314.345	2.322	10	5		DEBERN
Cc1nn(CC(=O)Nc2cc(F)cc(F)c2)c(C)c1[N+](=O)[O-]	ZINC000011291581	354020649	/nfs/dbraw/zinc/02/06/49/354020649.db2.gz	UNRFBTQXJADDCJ-UHFFFAOYSA-N	0	0	310.260	2.325	10	5		DEBERN
Nc1c(C(=O)N2CCCC[C@H]2c2cn[nH]c2)cccc1[N+](=O)[O-]	ZINC000176691183	198612288	/nfs/dbraw/zinc/61/22/88/198612288.db2.gz	ROXVNWCMCYXORK-LBPRGKRZSA-N	0	0	315.333	2.268	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C2CC2)CC1	ZINC000076329592	191622252	/nfs/dbraw/zinc/62/22/52/191622252.db2.gz	FWGAKDKTRJBSCC-UHFFFAOYSA-N	0	0	304.350	2.215	10	5		DEBERN
CCOC(=O)c1ccnc(N[C@H]2CCCC[C@@H]2CO)c1[N+](=O)[O-]	ZINC000077209843	191674927	/nfs/dbraw/zinc/67/49/27/191674927.db2.gz	YDHCJLGVUSZJQI-PWSUYJOCSA-N	0	0	323.349	2.130	10	5		DEBERN
COc1cc([N+](=O)[O-])c(C(N)=O)cc1OCc1ccccc1	ZINC000114745856	355764608	/nfs/dbraw/zinc/76/46/08/355764608.db2.gz	UHYAKEUUFAPJLG-UHFFFAOYSA-N	0	0	302.286	2.281	10	5		DEBERN
CCOCCCNc1ccc2nc3ccc(C)cc3c(=O)n2n1	ZINC000005152290	181210128	/nfs/dbraw/zinc/21/01/28/181210128.db2.gz	YCQYEVDRFLZJER-UHFFFAOYSA-N	0	0	312.373	2.390	10	5		DEBERN
CN(C)c1ncccc1N(C)C(=O)c1ccc([N+](=O)[O-])s1	ZINC000079725068	191966024	/nfs/dbraw/zinc/96/60/24/191966024.db2.gz	HFPSQOBMMYYTQQ-UHFFFAOYSA-N	0	0	306.347	2.394	10	5		DEBERN
Cc1ccccc1C[C@H](C)Nc1ncc([N+](=O)[O-])cc1C(N)=O	ZINC000194077620	356233408	/nfs/dbraw/zinc/23/34/08/356233408.db2.gz	QNBFNAJEHITWHU-NSHDSACASA-N	0	0	314.345	2.440	10	5		DEBERN
COc1ccc(I)c([N+](=O)[O-])c1OC	ZINC000306558583	356404991	/nfs/dbraw/zinc/40/49/91/356404991.db2.gz	KQZMJZVCWUKURX-UHFFFAOYSA-N	0	0	309.059	2.217	10	5		DEBERN
O=C(OC[C@H]1CCCCC1=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000005699903	181274344	/nfs/dbraw/zinc/27/43/44/181274344.db2.gz	ZZBJKCKTPRDLER-SECBINFHSA-N	0	0	322.273	2.419	10	5		DEBERN
CC(=O)[C@H](C)CCCCc1nc(-c2c([N+](=O)[O-])ncn2C)no1	ZINC000350888308	356583002	/nfs/dbraw/zinc/58/30/02/356583002.db2.gz	JPGXLKDHMNCMDE-SECBINFHSA-N	0	0	321.337	2.316	10	5		DEBERN
CCN(c1ncc([N+](=O)[O-])cc1Br)[C@H]1CCOC1	ZINC000589696067	357491288	/nfs/dbraw/zinc/49/12/88/357491288.db2.gz	ANOQIUJHTSYYLT-QMMMGPOBSA-N	0	0	316.155	2.368	10	5		DEBERN
CC(=O)c1cc(N[C@H]2CCN(C3CCC3)C2=O)ccc1[N+](=O)[O-]	ZINC000599208115	359433927	/nfs/dbraw/zinc/43/39/27/359433927.db2.gz	ZQVABRBJWHAIHE-AWEZNQCLSA-N	0	0	317.345	2.363	10	5		DEBERN
O=C(NC[C@@H]1CCC[C@@H]1CO)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000089484717	192800482	/nfs/dbraw/zinc/80/04/82/192800482.db2.gz	PUHWCNJKIICYGI-VHSXEESVSA-N	0	0	312.753	2.387	10	5		DEBERN
CC(=O)c1ccc(OCCOC2CCOCC2)c([N+](=O)[O-])c1	ZINC000600538587	359764145	/nfs/dbraw/zinc/76/41/45/359764145.db2.gz	YUQPZLPKSBFRRG-UHFFFAOYSA-N	0	0	309.318	2.372	10	5		DEBERN
CCOc1cc(OCc2nnc(CC)n2C)ccc1[N+](=O)[O-]	ZINC000188593353	200272695	/nfs/dbraw/zinc/27/26/95/200272695.db2.gz	CWNBADJJGGEBCW-UHFFFAOYSA-N	0	0	306.322	2.263	10	5		DEBERN
CCCCOC[C@@H](O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000193254783	201014793	/nfs/dbraw/zinc/01/47/93/201014793.db2.gz	HHGYMXYJPGMDCY-AWEZNQCLSA-N	0	0	320.349	2.031	10	5		DEBERN
CC(C)OC(=O)[C@@H]1CCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1	ZINC000609889601	361347508	/nfs/dbraw/zinc/34/75/08/361347508.db2.gz	QQBJSUVJFIIZJN-ZDUSSCGKSA-N	0	0	324.308	2.290	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3[nH+]ccn3c2)cc1	ZINC000610032585	361354311	/nfs/dbraw/zinc/35/43/11/361354311.db2.gz	LHQXEVHHVPAGEX-UHFFFAOYSA-N	0	0	318.314	2.043	10	5		DEBERN
CCOc1cccc(CCNC(=O)c2ccccc2[N+](=O)[O-])n1	ZINC000610760608	361462132	/nfs/dbraw/zinc/46/21/32/361462132.db2.gz	YUVFZIWLMVQXOE-UHFFFAOYSA-N	0	0	315.329	2.361	10	5		DEBERN
Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@](O)(C(F)(F)F)C1	ZINC000194746857	201282441	/nfs/dbraw/zinc/28/24/41/201282441.db2.gz	CSESRECMRVLZOZ-GFCCVEGCSA-N	0	0	318.251	2.043	10	5		DEBERN
Cn1cc([N+](=O)[O-])cc1C(=O)N1CCOc2cccc(F)c2C1	ZINC000619749791	363871367	/nfs/dbraw/zinc/87/13/67/363871367.db2.gz	LWJSONRLVJYZRB-UHFFFAOYSA-N	0	0	319.292	2.107	10	5		DEBERN
O=[N+]([O-])c1ccc(OCc2nnc(C3CC3)s2)cc1CO	ZINC000450926999	242399086	/nfs/dbraw/zinc/39/90/86/242399086.db2.gz	NXNAXQMJOCUTGU-UHFFFAOYSA-N	0	0	307.331	2.395	10	5		DEBERN
COC(=O)C[C@H](C)[S@](=O)Cc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000093633831	193277362	/nfs/dbraw/zinc/27/73/62/193277362.db2.gz	WXXIRZAKRNGXSZ-FHZGZLOMSA-N	0	0	319.766	2.449	10	5		DEBERN
C[NH2+][C@@]1(C(=O)[O-])CC[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)C1	ZINC000093847080	193317378	/nfs/dbraw/zinc/31/73/78/193317378.db2.gz	QJCZDMXFQSKNRJ-RNCFNFMXSA-N	0	0	314.725	2.222	10	5		DEBERN
O=C(N[C@H]1CCCn2ncnc21)c1cc([N+](=O)[O-])ccc1Cl	ZINC000177583311	284191707	/nfs/dbraw/zinc/19/17/07/284191707.db2.gz	PZIWUYAXXXDWJJ-NSHDSACASA-N	0	0	321.724	2.105	10	5		DEBERN
CC(=O)NCCCNC(=O)c1ccc2nc3ccccc3nc2c1	ZINC000096567921	193680003	/nfs/dbraw/zinc/68/00/03/193680003.db2.gz	VXQYKSAFEIWYOZ-UHFFFAOYSA-N	0	0	322.368	2.039	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN3CCCC[C@@H]3C2)c1	ZINC000266080037	205081629	/nfs/dbraw/zinc/08/16/29/205081629.db2.gz	UTMXTLRKQAHXHU-CYBMUJFWSA-N	0	0	303.362	2.214	10	5		DEBERN
CCOc1ncnc(Nc2ccc3c(c2)OCO3)c1[N+](=O)[O-]	ZINC000040584353	183105376	/nfs/dbraw/zinc/10/53/76/183105376.db2.gz	OCWBKZYQDNNIFA-UHFFFAOYSA-N	0	0	304.262	2.256	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(N)cc1	ZINC000043511940	183369366	/nfs/dbraw/zinc/36/93/66/183369366.db2.gz	IAFUAHYLQLZBJT-UHFFFAOYSA-N	0	0	307.331	2.286	10	5		DEBERN
O=C(Cn1cnc([N+](=O)[O-])n1)c1cc(Cl)sc1Cl	ZINC000050130953	183774801	/nfs/dbraw/zinc/77/48/01/183774801.db2.gz	CVFCGIDZOPKDDF-UHFFFAOYSA-N	0	0	307.118	2.438	10	5		DEBERN
CC[C@@H](C)N(CC)S(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F	ZINC000050652433	183794536	/nfs/dbraw/zinc/79/45/36/183794536.db2.gz	QHZXATQTNHUXGI-MRVPVSSYSA-N	0	0	319.358	2.125	10	5		DEBERN
CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)CC(C)C	ZINC000050653465	183794982	/nfs/dbraw/zinc/79/49/82/183794982.db2.gz	YDPWKVXQHFOPFY-JTQLQIEISA-N	0	0	315.395	2.349	10	5		DEBERN
CCN(C1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1N	ZINC000050656046	183795546	/nfs/dbraw/zinc/79/55/46/183795546.db2.gz	JULGBFPTMOYUCF-UHFFFAOYSA-N	0	0	313.379	2.130	10	5		DEBERN
CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC1(C)C	ZINC000050671392	183797639	/nfs/dbraw/zinc/79/76/39/183797639.db2.gz	PTORBQUFBLPNKH-GFCCVEGCSA-N	0	0	313.379	2.103	10	5		DEBERN
CC[C@H](C)N(C)C(=O)c1cc(Cl)c(NN)c([N+](=O)[O-])c1	ZINC000051126444	183817410	/nfs/dbraw/zinc/81/74/10/183817410.db2.gz	METQIIPHGFZFAJ-ZETCQYMHSA-N	0	0	300.746	2.404	10	5		DEBERN
CC(C)[NH2+][C@@H](COc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000051625765	183831911	/nfs/dbraw/zinc/83/19/11/183831911.db2.gz	GGOWTAUYFCPTME-VIFPVBQESA-N	0	0	302.714	2.078	10	5		DEBERN
CC(C)[C@H](C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21	ZINC000109983264	194302791	/nfs/dbraw/zinc/30/27/91/194302791.db2.gz	MJPLXOSRLZUJGL-VIFPVBQESA-N	0	0	303.318	2.211	10	5		DEBERN
CCOC(=O)CNc1cc(F)c(Br)cc1[N+](=O)[O-]	ZINC000060148835	184145280	/nfs/dbraw/zinc/14/52/80/184145280.db2.gz	RJHAGPMHBPYZJL-UHFFFAOYSA-N	0	0	321.102	2.471	10	5		DEBERN
CC(C)[NH2+][C@@H](CCOc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000062539726	184241760	/nfs/dbraw/zinc/24/17/60/184241760.db2.gz	RGJWDDMNQNNEOI-NSHDSACASA-N	0	0	316.741	2.468	10	5		DEBERN
Nc1cccc(OCCNC(=O)c2ccc([N+](=O)[O-])s2)c1	ZINC000063130261	184272155	/nfs/dbraw/zinc/27/21/55/184272155.db2.gz	BOAUOQVMTXLDGL-UHFFFAOYSA-N	0	0	307.331	2.047	10	5		DEBERN
C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccn1	ZINC000064242798	184293292	/nfs/dbraw/zinc/29/32/92/184293292.db2.gz	ZDOFLNIJMYUABC-MRVPVSSYSA-N	0	0	313.360	2.091	10	5		DEBERN
C[C@H](C[C@](C)([NH3+])C(=O)[O-])Oc1ccc([N+](=O)[O-])cc1Cl	ZINC000068651026	184496490	/nfs/dbraw/zinc/49/64/90/184496490.db2.gz	NOUDJLLXQCYWCM-KRTXAFLBSA-N	0	0	302.714	2.208	10	5		DEBERN
C[C@@H]1C[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1	ZINC000159079928	197325637	/nfs/dbraw/zinc/32/56/37/197325637.db2.gz	UHUCKEFWQLRTLZ-RITPCOANSA-N	0	0	310.784	2.244	10	5		DEBERN
CNc1cc(Sc2n[nH]c(=O)n2C(C)C)cc([N+](=O)[O-])c1	ZINC000158870733	197307039	/nfs/dbraw/zinc/30/70/39/197307039.db2.gz	UXHIWEMDGJGGGR-UHFFFAOYSA-N	0	0	309.351	2.253	10	5		DEBERN
C[C@H](O)CN(C)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000158792367	197302000	/nfs/dbraw/zinc/30/20/00/197302000.db2.gz	NCENDXLZCVRMGW-LURJTMIESA-N	0	0	307.119	2.313	10	5		DEBERN
O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1CCCc2cc(F)ccc21	ZINC000157624469	197202686	/nfs/dbraw/zinc/20/26/86/197202686.db2.gz	JINNCRCJWSFMQP-ZDUSSCGKSA-N	0	0	318.308	2.124	10	5		DEBERN
CCC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(NC)s1	ZINC000157539032	197195812	/nfs/dbraw/zinc/19/58/12/197195812.db2.gz	MJADGKGBFMKYPX-SSDOTTSWSA-N	0	0	307.397	2.165	10	5		DEBERN
CNc1c(Cl)cc(C(=O)N[C@H]2CCO[C@H]2C)cc1[N+](=O)[O-]	ZINC000156894642	197148566	/nfs/dbraw/zinc/14/85/66/197148566.db2.gz	CRFDCMFKBBYMON-XVKPBYJWSA-N	0	0	313.741	2.197	10	5		DEBERN
CNc1cc(C(=O)NC[C@@H]2CCCS2)c([N+](=O)[O-])cc1F	ZINC000155964243	197077666	/nfs/dbraw/zinc/07/76/66/197077666.db2.gz	PBNQWWIXHIXBIM-QMMMGPOBSA-N	0	0	313.354	2.401	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(CC(=O)N[C@@H](C)c2cccs2)c1=O	ZINC000155929078	197075554	/nfs/dbraw/zinc/07/55/54/197075554.db2.gz	GVLHNHBIIKVMJI-JTQLQIEISA-N	0	0	321.358	2.004	10	5		DEBERN
COC(=O)/C=C/c1ccc(N[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1	ZINC000072063157	184927934	/nfs/dbraw/zinc/92/79/34/184927934.db2.gz	MZXRJDMJJBHEJO-GMTGPXDGSA-N	0	0	320.345	2.496	10	5		DEBERN
O=[N+]([O-])c1ccc(CN(C[C@@H](O)C(F)(F)F)C2CC2)cc1	ZINC000121863365	195364120	/nfs/dbraw/zinc/36/41/20/195364120.db2.gz	PDXKTBNISVBGDB-GFCCVEGCSA-N	0	0	304.268	2.482	10	5		DEBERN
Cc1c(NC(=O)C(=O)NCCC2=CCCC2)cccc1[N+](=O)[O-]	ZINC000123499469	195589636	/nfs/dbraw/zinc/58/96/36/195589636.db2.gz	BIYKUKIAHBEYSO-UHFFFAOYSA-N	0	0	317.345	2.458	10	5		DEBERN
CNc1sc(S(=O)(=O)N(C)C2CCCC2)cc1[N+](=O)[O-]	ZINC000125413212	195746639	/nfs/dbraw/zinc/74/66/39/195746639.db2.gz	FUHUUFHZIDZMAC-UHFFFAOYSA-N	0	0	319.408	2.261	10	5		DEBERN
C[C@@H](CNS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1)C(C)(C)C	ZINC000125570299	195764192	/nfs/dbraw/zinc/76/41/92/195764192.db2.gz	XKNPLKFLTYAPMN-VIFPVBQESA-N	0	0	315.395	2.138	10	5		DEBERN
CN(CC1CCCC1)S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1	ZINC000125589024	195766771	/nfs/dbraw/zinc/76/67/71/195766771.db2.gz	COQUUVRMNYFGSU-UHFFFAOYSA-N	0	0	319.408	2.049	10	5		DEBERN
CCCCCCNS(=O)(=O)c1cccc(NC)c1[N+](=O)[O-]	ZINC000127017681	195847810	/nfs/dbraw/zinc/84/78/10/195847810.db2.gz	IAIIKGMSXFTYAC-UHFFFAOYSA-N	0	0	315.395	2.495	10	5		DEBERN
CSCCCN(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000359965659	133155282	/nfs/dbraw/zinc/15/52/82/133155282.db2.gz	DFJIRGJQDPODPW-UHFFFAOYSA-N	0	0	318.420	2.110	10	5		DEBERN
CC(=O)c1cc([N+](=O)[O-])ccc1N1CCn2cc(C)nc2C1	ZINC000376403788	133293310	/nfs/dbraw/zinc/29/33/10/133293310.db2.gz	PZCSQGCAAMQWCI-UHFFFAOYSA-N	0	0	300.318	2.323	10	5		DEBERN
COC(=O)c1coc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1	ZINC000183903276	144936783	/nfs/dbraw/zinc/93/67/83/144936783.db2.gz	ZLPJXRDCVGUAEU-UHFFFAOYSA-N	0	0	316.269	2.177	10	5		DEBERN
CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCOC1	ZINC000185341684	144961022	/nfs/dbraw/zinc/96/10/22/144961022.db2.gz	VGZIEPWQSSAYMF-UONOGXRCSA-N	0	0	306.362	2.459	10	5		DEBERN
CCc1nc2n(n1)C[C@H](Nc1cccc(OC)c1[N+](=O)[O-])CC2	ZINC000185374472	144961383	/nfs/dbraw/zinc/96/13/83/144961383.db2.gz	SBUUFYGQHZSIFB-SNVBAGLBSA-N	0	0	317.349	2.184	10	5		DEBERN
CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccn(C)n1	ZINC000360785104	147384259	/nfs/dbraw/zinc/38/42/59/147384259.db2.gz	GFDOWMHNMIRZCU-ZDUSSCGKSA-N	0	0	316.361	2.213	10	5		DEBERN
C/C=C\C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)OCC	ZINC000361549082	147535580	/nfs/dbraw/zinc/53/55/80/147535580.db2.gz	JAIHGASNECINNM-HSBHDXMMSA-N	0	0	324.308	2.362	10	5		DEBERN
Cc1ccc([C@@H]2CCCCN2C(=O)Cn2ccc([N+](=O)[O-])n2)o1	ZINC000127788779	401750563	/nfs/dbraw/zinc/75/05/63/401750563.db2.gz	GXMBOHDBFSUNAY-LBPRGKRZSA-N	0	0	318.333	2.447	10	5		DEBERN
CC1(C)CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1	ZINC000130098618	401818443	/nfs/dbraw/zinc/81/84/43/401818443.db2.gz	VEHUUSHYLQAZCJ-UHFFFAOYSA-N	0	0	303.318	2.327	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C	ZINC000078157083	401842326	/nfs/dbraw/zinc/84/23/26/401842326.db2.gz	DKWOOQDWYPBPEV-MCIONIFRSA-N	0	0	304.346	2.447	10	5		DEBERN
CC(C)N(C(=O)COc1ccc([N+](=O)[O-])cc1)C1CCOCC1	ZINC000078181961	401843055	/nfs/dbraw/zinc/84/30/55/401843055.db2.gz	PZYOWBPRMPFDTH-UHFFFAOYSA-N	0	0	322.361	2.390	10	5		DEBERN
CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[C@@H]2O)c1	ZINC000089161727	401937718	/nfs/dbraw/zinc/93/77/18/401937718.db2.gz	BAPKPOWHWXXJDJ-ZANVPECISA-N	0	0	310.375	2.208	10	5		DEBERN
C[C@H](CO)CSc1ncc([N+](=O)[O-])cc1Br	ZINC000086482079	401923993	/nfs/dbraw/zinc/92/39/93/401923993.db2.gz	SRDSQTSRNRWZLV-ZCFIWIBFSA-N	0	0	307.169	2.473	10	5		DEBERN
O=C(CCn1cc([N+](=O)[O-])cn1)NCCCc1cccc(F)c1	ZINC000068178607	402186273	/nfs/dbraw/zinc/18/62/73/402186273.db2.gz	JEUHAMJFHAEQLS-UHFFFAOYSA-N	0	0	320.324	2.070	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N(CC(F)F)C2CC2)s1	ZINC000106896164	402221019	/nfs/dbraw/zinc/22/10/19/402221019.db2.gz	JFVLZELLPCYIDE-UHFFFAOYSA-N	0	0	312.319	2.075	10	5		DEBERN
CSC[C@H](C)Nc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1	ZINC000125304643	402224608	/nfs/dbraw/zinc/22/46/08/402224608.db2.gz	HKSFLXJIRJJCFB-QMMMGPOBSA-N	0	0	304.393	2.162	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CC(=O)c1ccco1	ZINC000155362776	402253971	/nfs/dbraw/zinc/25/39/71/402253971.db2.gz	WXQCNLABVMEGER-VIFPVBQESA-N	0	0	317.301	2.283	10	5		DEBERN
CCCC(=O)N[C@@H]1CCCN(c2cccc(OC)c2[N+](=O)[O-])C1	ZINC000185327447	402343900	/nfs/dbraw/zinc/34/39/00/402343900.db2.gz	FFSJVOJFKBHLDB-GFCCVEGCSA-N	0	0	321.377	2.489	10	5		DEBERN
Cc1ccc(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(C)n1	ZINC000185252165	402338809	/nfs/dbraw/zinc/33/88/09/402338809.db2.gz	PCIHCZZSXXHKIQ-UHFFFAOYSA-N	0	0	311.297	2.403	10	5		DEBERN
CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000177991598	402449653	/nfs/dbraw/zinc/44/96/53/402449653.db2.gz	OCBUYZMNUADEBW-IUODEOHRSA-N	0	0	308.382	2.251	10	5		DEBERN
Cc1cc(C(=O)N2CCC[C@@H]2Cn2ccnc2)cc([N+](=O)[O-])c1	ZINC000177773043	402434517	/nfs/dbraw/zinc/43/45/17/402434517.db2.gz	IOZHINXMWQECLK-CQSZACIVSA-N	0	0	314.345	2.405	10	5		DEBERN
COC(=O)c1cc(N2CCCO[C@H](C)C2)cc(C)c1[N+](=O)[O-]	ZINC000177824543	402439660	/nfs/dbraw/zinc/43/96/60/402439660.db2.gz	BVPRWLZDIJHHJT-LLVKDONJSA-N	0	0	308.334	2.305	10	5		DEBERN
CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)OC(C)(C)C	ZINC000161544824	402391049	/nfs/dbraw/zinc/39/10/49/402391049.db2.gz	WTZKYRWJDRLFFJ-SECBINFHSA-N	0	0	312.322	2.428	10	5		DEBERN
COC(=O)CCCCCNC(=O)Cc1cccc([N+](=O)[O-])c1C	ZINC000178552204	402510953	/nfs/dbraw/zinc/51/09/53/402510953.db2.gz	SEVOWNMZLWNXIU-UHFFFAOYSA-N	0	0	322.361	2.295	10	5		DEBERN
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)C[C@@H]1CCCO1	ZINC000170688207	402514503	/nfs/dbraw/zinc/51/45/03/402514503.db2.gz	HTAHHYOSBVCMPG-RISCZKNCSA-N	0	0	307.350	2.033	10	5		DEBERN
Cc1ccccc1[C@H](C)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000186747783	402462236	/nfs/dbraw/zinc/46/22/36/402462236.db2.gz	UUPGUTJDLOVIML-JTQLQIEISA-N	0	0	301.302	2.495	10	5		DEBERN
CSc1cccc(C(=O)N2[C@@H](C)CN(C)C[C@@H]2C)c1[N+](=O)[O-]	ZINC000186893463	402469791	/nfs/dbraw/zinc/46/97/91/402469791.db2.gz	XBPLENZIHDNBBD-QWRGUYRKSA-N	0	0	323.418	2.481	10	5		DEBERN
Cc1ccc(C(=O)N[C@H]2Cc3ccccc3[C@H]2O)cc1[N+](=O)[O-]	ZINC000178362558	402490001	/nfs/dbraw/zinc/49/00/01/402490001.db2.gz	LHLKJAUSCZNPBI-GOEBONIOSA-N	0	0	312.325	2.291	10	5		DEBERN
CC(C)[C@H](C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-]	ZINC000178929254	402556236	/nfs/dbraw/zinc/55/62/36/402556236.db2.gz	MIPBOJNOBHJBFT-NSHDSACASA-N	0	0	300.380	2.101	10	5		DEBERN
O=[N+]([O-])c1cc(CN2CCS[C@@H]3COCC[C@H]32)cs1	ZINC000246595661	402538235	/nfs/dbraw/zinc/53/82/35/402538235.db2.gz	CWMGPYFCKSOJAM-GHMZBOCLSA-N	0	0	300.405	2.363	10	5		DEBERN
CCCN(CC(=O)OC)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000171539019	402592241	/nfs/dbraw/zinc/59/22/41/402592241.db2.gz	ZERCOHQCVULFAR-UHFFFAOYSA-N	0	0	319.317	2.101	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](n2cncn2)C1	ZINC000171615408	402601400	/nfs/dbraw/zinc/60/14/00/402601400.db2.gz	HSNMPEAKZKTYMN-AWEZNQCLSA-N	0	0	317.349	2.032	10	5		DEBERN
CCc1n[nH]c(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c1[N+](=O)[O-]	ZINC000171671132	402607762	/nfs/dbraw/zinc/60/77/62/402607762.db2.gz	SZGJICACVQSNFP-SSDOTTSWSA-N	0	0	320.271	2.295	10	5		DEBERN
C[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccc(F)c(F)c1	ZINC000180497177	402618700	/nfs/dbraw/zinc/61/87/00/402618700.db2.gz	LZRUVAYRPUXWEE-ZETCQYMHSA-N	0	0	322.271	2.341	10	5		DEBERN
CO[C@H]1C[C@@H](c2nc(C)no2)N(Cc2cccc([N+](=O)[O-])c2)C1	ZINC000190100101	402576148	/nfs/dbraw/zinc/57/61/48/402576148.db2.gz	FQUKCHWRLKUFOJ-KBPBESRZSA-N	0	0	318.333	2.248	10	5		DEBERN
Nc1cccc([N+](=O)[O-])c1C(=O)NCCc1cc(F)ccc1F	ZINC000181152061	402636595	/nfs/dbraw/zinc/63/65/95/402636595.db2.gz	CVIMJZJPJOSCAZ-UHFFFAOYSA-N	0	0	321.283	2.428	10	5		DEBERN
CC1(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)OCCCO1	ZINC000191151564	402645796	/nfs/dbraw/zinc/64/57/96/402645796.db2.gz	UFPGYHWULKBBHL-UHFFFAOYSA-N	0	0	314.725	2.131	10	5		DEBERN
COc1cc(OCC(=O)NC[C@@H](C)C(C)C)ccc1[N+](=O)[O-]	ZINC000172440819	402655979	/nfs/dbraw/zinc/65/59/79/402655979.db2.gz	UUMSADNFEQEVLL-LLVKDONJSA-N	0	0	310.350	2.391	10	5		DEBERN
CCc1cc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)ccc1C	ZINC000181966915	402662336	/nfs/dbraw/zinc/66/23/36/402662336.db2.gz	ODBSHTDLLPAQPP-UHFFFAOYSA-N	0	0	317.349	2.484	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@@H](Cn2cccn2)C1	ZINC000183333632	402757636	/nfs/dbraw/zinc/75/76/36/402757636.db2.gz	JGSYSJHAHGDRRM-MRXNPFEDSA-N	0	0	316.361	2.001	10	5		DEBERN
C[C@@H]1CO[C@@H](c2ccccc2)CN1CCn1cc([N+](=O)[O-])cn1	ZINC000174843538	402759931	/nfs/dbraw/zinc/75/99/31/402759931.db2.gz	PDPGLKVBGAIFIX-CZUORRHYSA-N	0	0	316.361	2.253	10	5		DEBERN
O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1COc2ccccc21	ZINC000183617330	402782007	/nfs/dbraw/zinc/78/20/07/402782007.db2.gz	ZAGRNBCOWPVYOB-LLVKDONJSA-N	0	0	300.274	2.245	10	5		DEBERN
O=[N+]([O-])c1ccccc1CS(=O)(=O)N(CC(F)F)C1CC1	ZINC000184434931	402843606	/nfs/dbraw/zinc/84/36/06/402843606.db2.gz	UOZOFBIIQZCGLH-UHFFFAOYSA-N	0	0	320.317	2.154	10	5		DEBERN
CC[C@H](C)N(C)S(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1	ZINC000184329622	402836082	/nfs/dbraw/zinc/83/60/82/402836082.db2.gz	XNOIEGKLNAVENA-QMMMGPOBSA-N	0	0	304.343	2.461	10	5		DEBERN
NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(CCCC2)CC1	ZINC000265595957	402931747	/nfs/dbraw/zinc/93/17/47/402931747.db2.gz	QRQSLBDJVQHZFE-UHFFFAOYSA-N	0	0	304.350	2.249	10	5		DEBERN
CN1CCO[C@H](CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1	ZINC000266974733	403004358	/nfs/dbraw/zinc/00/43/58/403004358.db2.gz	NGLWSJNVXKDHSL-SNVBAGLBSA-N	0	0	319.283	2.356	10	5		DEBERN
Cc1cc(N2CCO[C@]3(CCCOC3)C2)c(F)cc1[N+](=O)[O-]	ZINC000292656410	403373448	/nfs/dbraw/zinc/37/34/48/403373448.db2.gz	PPMAGJJUJAIJEX-OAHLLOKOSA-N	0	0	310.325	2.428	10	5		DEBERN
COc1cc(NCc2cccc(C(N)=O)c2)c([N+](=O)[O-])cc1F	ZINC000301614015	403654608	/nfs/dbraw/zinc/65/46/08/403654608.db2.gz	HRYSXOCAAYMKTK-UHFFFAOYSA-N	0	0	319.292	2.454	10	5		DEBERN
COC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1	ZINC000301640319	403657712	/nfs/dbraw/zinc/65/77/12/403657712.db2.gz	MDNYPDKKFCPINF-PELKAZGASA-N	0	0	314.725	2.015	10	5		DEBERN
COC(=O)C=Cc1ccc(N[C@H](C)c2nc[nH]n2)c([N+](=O)[O-])c1	ZINC000301908132	403699383	/nfs/dbraw/zinc/69/93/83/403699383.db2.gz	AGQOXSCZAUCGHK-OTQAPUNGSA-N	0	0	317.305	2.072	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(N2CCN(c3cccs3)C(=O)C2)n1	ZINC000184136145	292287272	/nfs/dbraw/zinc/28/72/72/292287272.db2.gz	BNMPDHLKLGKTGB-UHFFFAOYSA-N	0	0	318.358	2.213	10	5		DEBERN
C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCO[C@@H](C2CC2)C1	ZINC000364424405	404387589	/nfs/dbraw/zinc/38/75/89/404387589.db2.gz	ZWFQPPLCGIGWJG-IAQYHMDHSA-N	0	0	319.361	2.033	10	5		DEBERN
CCc1nn(C)c(N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c1[N+](=O)[O-]	ZINC000408195901	405135383	/nfs/dbraw/zinc/13/53/83/405135383.db2.gz	WIZLXEMLYZVXGW-PWSUYJOCSA-N	0	0	310.398	2.124	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](C(=O)N3CCCC3)C2)n1	ZINC000408343687	405178813	/nfs/dbraw/zinc/17/88/13/405178813.db2.gz	ROTOWZWOYFNLFM-ZDUSSCGKSA-N	0	0	318.377	2.137	10	5		DEBERN
CCOc1ccc(C(=O)NCC[C@H](C)CCO)cc1[N+](=O)[O-]	ZINC000452684604	405226558	/nfs/dbraw/zinc/22/65/58/405226558.db2.gz	OXEZABAMENKNHI-NSHDSACASA-N	0	0	310.350	2.132	10	5		DEBERN
Cc1cc(N(CC2CC2)C[C@H]2CN(C)CCO2)ccc1[N+](=O)[O-]	ZINC000558920101	405709139	/nfs/dbraw/zinc/70/91/39/405709139.db2.gz	RSRRQJMOKWHLHT-MRXNPFEDSA-N	0	0	319.405	2.450	10	5		DEBERN
CC(=O)c1cc(N(C)[C@@H]2CCCCN(C)C2=O)ccc1[N+](=O)[O-]	ZINC000601229496	405898010	/nfs/dbraw/zinc/89/80/10/405898010.db2.gz	RRFQDXMBJQJQRP-OAHLLOKOSA-N	0	0	319.361	2.245	10	5		DEBERN
CC(C)(C)OC(=O)C[C@H]1CCCN(c2ncc([N+](=O)[O-])cn2)C1	ZINC000545474409	406320509	/nfs/dbraw/zinc/32/05/09/406320509.db2.gz	XWOLLSAYCRUIAF-LLVKDONJSA-N	0	0	322.365	2.333	10	5		DEBERN
CCOC(=O)c1[nH]c(C)nc1NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000524836550	406463798	/nfs/dbraw/zinc/46/37/98/406463798.db2.gz	XRBAIRLKHGGSCM-UHFFFAOYSA-N	0	0	318.289	2.055	10	5		DEBERN
NC(=O)c1ccc([N+](=O)[O-])c(Br)c1OC(F)F	ZINC000575684772	406818217	/nfs/dbraw/zinc/81/82/17/406818217.db2.gz	WZAZAFLRILJDSG-UHFFFAOYSA-N	0	0	311.038	2.058	10	5		DEBERN
Cc1cccc(C(=O)N2CC[C@](O)(C(F)(F)F)C2)c1[N+](=O)[O-]	ZINC000120455956	292421746	/nfs/dbraw/zinc/42/17/46/292421746.db2.gz	NZKOCYQCOZAUDW-GFCCVEGCSA-N	0	0	318.251	2.043	10	5		DEBERN
CCc1nn(Cc2nnc(Cl)s2)c(CC)c1[N+](=O)[O-]	ZINC000131813333	196200782	/nfs/dbraw/zinc/20/07/82/196200782.db2.gz	ONDKCNFXSGSBFC-UHFFFAOYSA-N	0	0	301.759	2.469	10	5		DEBERN
C[C@H](O)c1cc([N+](=O)[O-])c(N(C)[C@H]2CCCC[C@@H]2O)s1	ZINC000131978630	196215169	/nfs/dbraw/zinc/21/51/69/196215169.db2.gz	RQXXRRWKSWSCTN-QXEWZRGKSA-N	0	0	300.380	2.449	10	5		DEBERN
CCNc1snnc1Cn1nc(CC)c([N+](=O)[O-])c1CC	ZINC000131984909	196215961	/nfs/dbraw/zinc/21/59/61/196215961.db2.gz	MNKOZHHRCPJRJO-UHFFFAOYSA-N	0	0	310.383	2.248	10	5		DEBERN
CCc1ccc(N[C@@H](C)CS(=O)(=O)CC)cc1[N+](=O)[O-]	ZINC000132231896	196237355	/nfs/dbraw/zinc/23/73/55/196237355.db2.gz	PWVJMTGQFFCXDN-JTQLQIEISA-N	0	0	300.380	2.392	10	5		DEBERN
C[C@H](CO)[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000133768278	196336017	/nfs/dbraw/zinc/33/60/17/196336017.db2.gz	OTWICKPZQIOIKH-SFYZADRCSA-N	0	0	301.730	2.387	10	5		DEBERN
COC(=O)N[C@@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1	ZINC000133986136	196352388	/nfs/dbraw/zinc/35/23/88/196352388.db2.gz	WVGUGELKZFWTJD-SNVBAGLBSA-N	0	0	313.741	2.179	10	5		DEBERN
C[C@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl)[S@@](C)=O	ZINC000134013112	196353068	/nfs/dbraw/zinc/35/30/68/196353068.db2.gz	MTOGMYZPSQWEQZ-SQFXPLBJSA-N	0	0	318.782	2.135	10	5		DEBERN
C[C@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)[C@H]1CCCO1	ZINC000134038123	196355823	/nfs/dbraw/zinc/35/58/23/196355823.db2.gz	OHRGKIOGXGZDMJ-JVXZTZIISA-N	0	0	300.261	2.170	10	5		DEBERN
Cc1ccccc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1N	ZINC000180494866	224896008	/nfs/dbraw/zinc/89/60/08/224896008.db2.gz	DFFJBSGWWMGGSG-SNVBAGLBSA-N	0	0	300.318	2.371	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N(C)c2nc3ccccc3o2)n1	ZINC000191491774	225111577	/nfs/dbraw/zinc/11/15/77/225111577.db2.gz	PREUXDCUAZFZML-UHFFFAOYSA-N	0	0	315.289	2.229	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccccc2F)n1	ZINC000191462229	225111687	/nfs/dbraw/zinc/11/16/87/225111687.db2.gz	CLNCVDNASJGIIH-UHFFFAOYSA-N	0	0	306.297	2.223	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCCc2cc(F)cc(F)c2)n1	ZINC000191585197	225112978	/nfs/dbraw/zinc/11/29/78/225112978.db2.gz	AQPVDWLHLNJXJU-UHFFFAOYSA-N	0	0	324.287	2.062	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)Oc2ccccc2)n1	ZINC000191616042	225113192	/nfs/dbraw/zinc/11/31/92/225113192.db2.gz	JGZKSWQDULMRNM-NSHDSACASA-N	0	0	318.333	2.009	10	5		DEBERN
COC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])cnc1C	ZINC000195518402	424883624	/nfs/dbraw/zinc/88/36/24/424883624.db2.gz	SPMPZQVXVOWEHM-UHFFFAOYSA-N	0	0	315.285	2.337	10	5		DEBERN
Cc1ccc(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)o1	ZINC000192678753	424864796	/nfs/dbraw/zinc/86/47/96/424864796.db2.gz	GGQLAUKJZFVGET-UHFFFAOYSA-N	0	0	310.331	2.317	10	5		DEBERN
O=C(COc1cccc([N+](=O)[O-])c1)NCCCc1ccccn1	ZINC000178830097	267587901	/nfs/dbraw/zinc/58/79/01/267587901.db2.gz	WJBKDWJQCYYHIC-UHFFFAOYSA-N	0	0	315.329	2.118	10	5		DEBERN
O=[N+]([O-])c1nn(C[C@@H]2CCCC[C@H]2O)cc1Br	ZINC000393258009	269099253	/nfs/dbraw/zinc/09/92/53/269099253.db2.gz	HJYLTVZZIUYWIF-IONNQARKSA-N	0	0	304.144	2.105	10	5		DEBERN
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1C	ZINC000184353563	276426503	/nfs/dbraw/zinc/42/65/03/276426503.db2.gz	CJKSXUXESGMHPH-ZDUSSCGKSA-N	0	0	319.317	2.094	10	5		DEBERN
CC(=O)c1ccc(N2CCC[C@H](c3nnc[nH]3)C2)c([N+](=O)[O-])c1	ZINC000374032670	277111020	/nfs/dbraw/zinc/11/10/20/277111020.db2.gz	NWRGJTXDXARVLU-LBPRGKRZSA-N	0	0	315.333	2.300	10	5		DEBERN
CC(C)c1n[nH]c(C(=O)N2CCC[C@@H]3COCC[C@@H]32)c1[N+](=O)[O-]	ZINC000408003078	278000123	/nfs/dbraw/zinc/00/01/23/278000123.db2.gz	IEYRUUVNZZXPJS-MNOVXSKESA-N	0	0	322.365	2.082	10	5		DEBERN
C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	ZINC000172101710	280023426	/nfs/dbraw/zinc/02/34/26/280023426.db2.gz	UHVCXTDEOHCSSI-FWHFQCOYSA-N	0	0	302.330	2.440	10	5		DEBERN
CC(C)CC[C@@](C)(O)CNC(=O)COc1ccc([N+](=O)[O-])cc1	ZINC000075127627	281560145	/nfs/dbraw/zinc/56/01/45/281560145.db2.gz	VPMFHYOTQZZXLN-MRXNPFEDSA-N	0	0	324.377	2.277	10	5		DEBERN
C[C@@H]1SCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H]1C	ZINC000118440187	288946999	/nfs/dbraw/zinc/94/69/99/288946999.db2.gz	UMAFEYRVZYHGPT-YUMQZZPRSA-N	0	0	322.433	2.171	10	5		DEBERN
C[C@H](C(=O)N1CCC(=O)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F	ZINC000193940388	289260474	/nfs/dbraw/zinc/26/04/74/289260474.db2.gz	OOXIASPCYZMLSP-ZJUUUORDSA-N	0	0	308.309	2.275	10	5		DEBERN
C[C@@H]1COC[C@@H](C)N1Cc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000077365596	297148804	/nfs/dbraw/zinc/14/88/04/297148804.db2.gz	OBZAYOVTPFYKII-GHMZBOCLSA-N	0	0	308.334	2.071	10	5		DEBERN
O=[N+]([O-])c1ccc(N2CCO[C@@]3(CCOC3)C2)c2ncccc12	ZINC000274448109	304803395	/nfs/dbraw/zinc/80/33/95/304803395.db2.gz	VTVXSLQEZXJWBD-INIZCTEOSA-N	0	0	315.329	2.139	10	5		DEBERN
COC(=O)c1cc(N2CCC[C@@H]2C(C)(C)O)cc(C)c1[N+](=O)[O-]	ZINC000302160374	533849296	/nfs/dbraw/zinc/84/92/96/533849296.db2.gz	YBJXCEPDLZKJOM-CYBMUJFWSA-N	0	0	322.361	2.430	10	5		DEBERN
Cc1nc([C@@H]2CCCN2C(=O)c2c([N+](=O)[O-])cnn2C)cs1	ZINC000190002590	534568771	/nfs/dbraw/zinc/56/87/71/534568771.db2.gz	QRIJKPYYARLOSM-JTQLQIEISA-N	0	0	321.362	2.071	10	5		DEBERN
CCC1(CC)CN(c2ncc([N+](=O)[O-])s2)CC[S@]1=O	ZINC000192534082	529087408	/nfs/dbraw/zinc/08/74/08/529087408.db2.gz	RRKYHVKDZQRGDK-IBGZPJMESA-N	0	0	303.409	2.179	10	5		DEBERN
O=C(OCCn1cc([N+](=O)[O-])cn1)C1(c2ccc(F)cc2)CC1	ZINC000177759853	625084821	/nfs/dbraw/zinc/08/48/21/625084821.db2.gz	CBFJNYRBHHZBAT-UHFFFAOYSA-N	0	0	319.292	2.205	10	5		DEBERN
CC(C)OC(=O)[C@@H]1CCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-]	ZINC000736271090	633588099	/nfs/dbraw/zinc/58/80/99/633588099.db2.gz	GNHWLFXPEILBQU-ZDUSSCGKSA-N	0	0	324.308	2.290	10	5		DEBERN
O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CCCn2nccc21	ZINC000727709365	638263024	/nfs/dbraw/zinc/26/30/24/638263024.db2.gz	MYPUIBMFLMMFAH-UHFFFAOYSA-N	0	0	308.244	2.120	10	5		DEBERN
COC(=O)/C(C)=C\COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-]	ZINC000748181508	638523257	/nfs/dbraw/zinc/52/32/57/638523257.db2.gz	IJSGYGQGSZUSHI-CLTKARDFSA-N	0	0	315.228	2.149	10	5		DEBERN
Cc1c(CC(=O)O[C@H](C(=O)N(C)C)C(C)C)cccc1[N+](=O)[O-]	ZINC000748470931	638560789	/nfs/dbraw/zinc/56/07/89/638560789.db2.gz	KKJMFQOMAJNBGM-HNNXBMFYSA-N	0	0	322.361	2.102	10	5		DEBERN
C/C(=C/C(=O)O[C@H](C)C(=O)NC1CC1)c1ccc([N+](=O)[O-])cc1	ZINC000752343787	639173958	/nfs/dbraw/zinc/17/39/58/639173958.db2.gz	ABPCXIVQFUKULB-DWOQACPDSA-N	0	0	318.329	2.208	10	5		DEBERN
C/C(=C\C(=O)NCCc1ccon1)c1ccc([N+](=O)[O-])cc1	ZINC000752663366	639207635	/nfs/dbraw/zinc/20/76/35/639207635.db2.gz	WYSJLKQERAGBOR-ZHACJKMWSA-N	0	0	301.302	2.345	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@H](C(F)F)C1	ZINC000801605899	645423332	/nfs/dbraw/zinc/42/33/32/645423332.db2.gz	GMUJFDJWWOHIPZ-NSHDSACASA-N	0	0	315.276	2.401	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC12CC2	ZINC000801742661	645436848	/nfs/dbraw/zinc/43/68/48/645436848.db2.gz	CWBNUGHTLNCWJD-BENRWUELSA-N	0	0	302.330	2.390	10	5		DEBERN
COc1ccccc1C[C@H]1CCCN1Cn1cc([N+](=O)[O-])cn1	ZINC000058539945	646554119	/nfs/dbraw/zinc/55/41/19/646554119.db2.gz	RCKLJZALUZKGHD-CQSZACIVSA-N	0	0	316.361	2.465	10	5		DEBERN
COc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1	ZINC000064240556	648035524	/nfs/dbraw/zinc/03/55/24/648035524.db2.gz	MKGLUYDLAMYGEF-UHFFFAOYSA-N	0	0	315.328	2.433	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000195519404	648292789	/nfs/dbraw/zinc/29/27/89/648292789.db2.gz	HNQUSGQCTDJGRX-UHFFFAOYSA-N	0	0	302.246	2.459	10	5		DEBERN
Cc1ccc(CCCC(=O)OCCn2cnc([N+](=O)[O-])n2)s1	ZINC000080415086	683982446	/nfs/dbraw/zinc/98/24/46/683982446.db2.gz	QIEQOTYYCFLOTA-UHFFFAOYSA-N	0	0	324.362	2.122	10	5		DEBERN
C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1Cc1nsc(N(C)C)n1	ZINC000089658356	684025099	/nfs/dbraw/zinc/02/50/99/684025099.db2.gz	ADMOTXJSJPSNSX-SECBINFHSA-N	0	0	319.390	2.464	10	5		DEBERN
Cc1cccc(C(=O)OCCN2CCSCC2)c1[N+](=O)[O-]	ZINC000131151690	684197027	/nfs/dbraw/zinc/19/70/27/684197027.db2.gz	WUBMNHKIISEFBE-UHFFFAOYSA-N	0	0	310.375	2.109	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cccc([N+](=O)[O-])c1	ZINC000194947023	685082285	/nfs/dbraw/zinc/08/22/85/685082285.db2.gz	JTEUREZQCZFVPE-UHFFFAOYSA-N	0	0	316.273	2.136	10	5		DEBERN
Nc1ccc(N2CCS[C@@H](C(F)(F)F)C2)nc1[N+](=O)[O-]	ZINC000721438507	776851465	/nfs/dbraw/zinc/85/14/65/776851465.db2.gz	KXHAZZJXMOQTEJ-SSDOTTSWSA-N	0	0	308.285	2.056	10	5		DEBERN
COC(=O)/C=C\c1ccc(NCC2(CO)CCC2)c([N+](=O)[O-])c1	ZINC000588426967	777150238	/nfs/dbraw/zinc/15/02/38/777150238.db2.gz	BZPGVAMTDGWJIM-XQRVVYSFSA-N	0	0	320.345	2.356	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1OC(=O)/C=C\c1ccncn1	ZINC000588435684	777180323	/nfs/dbraw/zinc/18/03/23/777180323.db2.gz	AVQVVUKUDAULKS-DJWKRKHSSA-N	0	0	301.258	2.012	10	5		DEBERN
COCCOCCOC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1	ZINC000588445145	777199836	/nfs/dbraw/zinc/19/98/36/777199836.db2.gz	KXWVDXKTXXOFHB-QXMHVHEDSA-N	0	0	309.318	2.204	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCCCC12OCCO2	ZINC000715985217	792558935	/nfs/dbraw/zinc/55/89/35/792558935.db2.gz	OYSFGZIKLGVTDH-CQSZACIVSA-N	0	0	320.345	2.319	10	5		DEBERN
CCOC(=O)c1ccnc(NCCCCCOC)c1[N+](=O)[O-]	ZINC000077938839	797158794	/nfs/dbraw/zinc/15/87/94/797158794.db2.gz	MFOSUZZKBPASFG-UHFFFAOYSA-N	0	0	311.338	2.395	10	5		DEBERN
Cc1nn(C)cc1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000012009447	1078117977	/nfs/dbraw/zinc/11/79/77/1078117977.db2.gz	IFIRHSUYZJMZIW-UHFFFAOYSA-N	0	0	308.725	2.220	10	5		DEBERN
Cn1cc(NCc2ccc(Br)c([N+](=O)[O-])c2)nn1	ZINC000701762021	1086384170	/nfs/dbraw/zinc/38/41/70/1086384170.db2.gz	WRVJABUXMSKQSV-UHFFFAOYSA-N	0	0	312.127	2.098	10	5		DEBERN
Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000081581731	282100143	/nfs/dbraw/zinc/10/01/43/282100143.db2.gz	UUZUTDXZWYFCOO-LBPRGKRZSA-N	0	0	315.333	2.068	10	5		DEBERN
C[C@@H]1CC[C@H](C)N(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1	ZINC000076727739	185035751	/nfs/dbraw/zinc/03/57/51/185035751.db2.gz	HFQAARMLIDVUNE-MNOVXSKESA-N	0	0	305.334	2.180	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H](C)CC[C@H]1C	ZINC000076731089	185036735	/nfs/dbraw/zinc/03/67/35/185036735.db2.gz	OKPHVPVSJFYNMU-ZYHUDNBSSA-N	0	0	319.361	2.489	10	5		DEBERN
O=[N+]([O-])c1cc(OC2CC2)cc(I)n1	ZINC000095735831	185383733	/nfs/dbraw/zinc/38/37/33/185383733.db2.gz	FEDOIVJEVXKAIG-UHFFFAOYSA-N	0	0	306.059	2.136	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(CC(=O)c2c[nH]c3ccccc23)c1=O	ZINC000096778474	185387220	/nfs/dbraw/zinc/38/72/20/185387220.db2.gz	SLCARHOTGSFZAF-UHFFFAOYSA-N	0	0	311.297	2.429	10	5		DEBERN
O=[N+]([O-])c1nn(CC2(O)CCCCC2)cc1Br	ZINC000087458385	185225921	/nfs/dbraw/zinc/22/59/21/185225921.db2.gz	OVWNBICLSBWSQN-UHFFFAOYSA-N	0	0	304.144	2.249	10	5		DEBERN
COC(=O)[C@@H](C)C[S@](=O)Cc1c(Cl)cccc1[N+](=O)[O-]	ZINC000090105471	185282441	/nfs/dbraw/zinc/28/24/41/185282441.db2.gz	BZKVXRJMDYLCTE-FFVOIRBGSA-N	0	0	319.766	2.306	10	5		DEBERN
COCc1cncc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1	ZINC000613175006	362028235	/nfs/dbraw/zinc/02/82/35/362028235.db2.gz	UMLZEIBRZZTJJM-UHFFFAOYSA-N	0	0	301.302	2.413	10	5		DEBERN
COCc1cncc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1	ZINC000613179097	362029097	/nfs/dbraw/zinc/02/90/97/362029097.db2.gz	JSGVOQNTKTUUPI-UHFFFAOYSA-N	0	0	315.329	2.109	10	5		DEBERN
CC[C@H](NC(=O)C[C@@H]1COC(=O)C1)c1cccc([N+](=O)[O-])c1	ZINC000090466332	185298129	/nfs/dbraw/zinc/29/81/29/185298129.db2.gz	SGTHTZGFPHIRPG-GWCFXTLKSA-N	0	0	306.318	2.115	10	5		DEBERN
O=C(Nc1cc(Cl)ccc1[N+](=O)[O-])c1cc2n(n1)CCCO2	ZINC000090626715	185307517	/nfs/dbraw/zinc/30/75/17/185307517.db2.gz	FPUULIZWMLRXBO-UHFFFAOYSA-N	0	0	322.708	2.480	10	5		DEBERN
O=[N+]([O-])c1ccc(OC[C@H](O)C(F)(F)F)c2cccnc21	ZINC000184581610	282254799	/nfs/dbraw/zinc/25/47/99/282254799.db2.gz	MITFHYQUOSLVCN-JTQLQIEISA-N	0	0	302.208	2.445	10	5		DEBERN
CCc1nc(C(C)(C)NC(=O)c2cccc([N+](=O)[O-])c2)no1	ZINC000441685326	529713535	/nfs/dbraw/zinc/71/35/35/529713535.db2.gz	ADXRVVXAMHLXFY-UHFFFAOYSA-N	0	0	304.306	2.205	10	5		DEBERN
CCNc1ccc([N+](=O)[O-])c(C(=O)NCc2cscn2)c1	ZINC000111633057	185619346	/nfs/dbraw/zinc/61/93/46/185619346.db2.gz	SIEQKOSBQGIFGK-UHFFFAOYSA-N	0	0	306.347	2.413	10	5		DEBERN
CC(C)CC[C@@H](C)NS(=O)(=O)c1cccc(N)c1[N+](=O)[O-]	ZINC000127009241	185912234	/nfs/dbraw/zinc/91/22/34/185912234.db2.gz	UFEHULRSOOVVMH-SNVBAGLBSA-N	0	0	315.395	2.280	10	5		DEBERN
C[C@@H]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1	ZINC000071152549	190936590	/nfs/dbraw/zinc/93/65/90/190936590.db2.gz	QHEMDCPHJCJQIH-KOLCDFICSA-N	0	0	314.363	2.200	10	5		DEBERN
C[C@@H](CO[C@@H]1CCOC1)Nc1ncc([N+](=O)[O-])cc1Cl	ZINC000133718205	186009462	/nfs/dbraw/zinc/00/94/62/186009462.db2.gz	SCGRACNOXNDEOF-WCBMZHEXSA-N	0	0	301.730	2.249	10	5		DEBERN
CNc1ccc(S(=O)(=O)N[C@H](C)C2CCC2)cc1[N+](=O)[O-]	ZINC000138103614	186014191	/nfs/dbraw/zinc/01/41/91/186014191.db2.gz	GMVXJZBXWABFPR-SECBINFHSA-N	0	0	313.379	2.103	10	5		DEBERN
CCOc1nc(N)nc(Oc2cc(Cl)ccc2[N+](=O)[O-])n1	ZINC000148289560	186043717	/nfs/dbraw/zinc/04/37/17/186043717.db2.gz	DCIGWJQFSUCTLK-UHFFFAOYSA-N	0	0	311.685	2.206	10	5		DEBERN
CN(C)Nc1ccc([N+](=O)[O-])cc1I	ZINC000148224682	186044056	/nfs/dbraw/zinc/04/40/56/186044056.db2.gz	UBGZDHJWSBLBJU-UHFFFAOYSA-N	0	0	307.091	2.088	10	5		DEBERN
CN(C1CCC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000143741552	186034304	/nfs/dbraw/zinc/03/43/04/186034304.db2.gz	YSBLYKRPAQFRRM-UHFFFAOYSA-N	0	0	304.755	2.421	10	5		DEBERN
CCc1oc(C(=O)OC)cc1Cn1cc([N+](=O)[O-])cc(C)c1=O	ZINC000155790611	186113097	/nfs/dbraw/zinc/11/30/97/186113097.db2.gz	MZJXDVJMMBGDSW-UHFFFAOYSA-N	0	0	320.301	2.055	10	5		DEBERN
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1cnc2ccccn12	ZINC000155847821	186117657	/nfs/dbraw/zinc/11/76/57/186117657.db2.gz	PQAHGHDLXRSYBH-UHFFFAOYSA-N	0	0	322.280	2.039	10	5		DEBERN
CCNc1cc(S(=O)(=O)NC2CC(C)C2)ccc1[N+](=O)[O-]	ZINC000163897610	186141681	/nfs/dbraw/zinc/14/16/81/186141681.db2.gz	OAHCOQOIDZPPBU-UHFFFAOYSA-N	0	0	313.379	2.103	10	5		DEBERN
CO[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[C@H]1C	ZINC000188029727	186245928	/nfs/dbraw/zinc/24/59/28/186245928.db2.gz	NYUQJJBRRUIVJZ-IAQYHMDHSA-N	0	0	321.377	2.158	10	5		DEBERN
CO[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[C@H]1C	ZINC000188029676	186246052	/nfs/dbraw/zinc/24/60/52/186246052.db2.gz	NYUQJJBRRUIVJZ-ABAIWWIYSA-N	0	0	321.377	2.158	10	5		DEBERN
O=C(NCc1ccccc1[N+](=O)[O-])c1cccc(-n2cncn2)c1	ZINC000172198565	198056776	/nfs/dbraw/zinc/05/67/76/198056776.db2.gz	FILGOUXUNYOTET-UHFFFAOYSA-N	0	0	323.312	2.106	10	5		DEBERN
CCOC(=O)c1c([N+](=O)[O-])ccc(/C=C/N(C)C)c1[N+](=O)[O-]	ZINC000039086334	354168182	/nfs/dbraw/zinc/16/81/82/354168182.db2.gz	IOLXKMCXWZWJDI-BQYQJAHWSA-N	0	0	309.278	2.212	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c2[nH]nc(I)c21	ZINC000044713413	354241950	/nfs/dbraw/zinc/24/19/50/354241950.db2.gz	SQVJTICGTRLFPY-UHFFFAOYSA-N	0	0	303.059	2.384	10	5		DEBERN
Cc1nn(C)c(C)c1C[C@@H](C)Nc1c([N+](=O)[O-])c(C)nn1C	ZINC000078399107	355258913	/nfs/dbraw/zinc/25/89/13/355258913.db2.gz	FHVXOTGOGICJEQ-MRVPVSSYSA-N	0	0	306.370	2.030	10	5		DEBERN
CC(C)c1noc(CCCNC(=O)c2ccc([N+](=O)[O-])o2)n1	ZINC000129049661	355831583	/nfs/dbraw/zinc/83/15/83/355831583.db2.gz	WCJVCXHYICVOID-UHFFFAOYSA-N	0	0	308.294	2.057	10	5		DEBERN
CCc1nn(C)c(NCc2ccc(C(=O)OC)cc2)c1[N+](=O)[O-]	ZINC000179561840	356028624	/nfs/dbraw/zinc/02/86/24/356028624.db2.gz	YZWFWGYTHPLHOD-UHFFFAOYSA-N	0	0	318.333	2.289	10	5		DEBERN
Cc1c(NC(=O)c2ccc3nnn(C)c3c2)cccc1[N+](=O)[O-]	ZINC000182326767	356121774	/nfs/dbraw/zinc/12/17/74/356121774.db2.gz	VXXFBBPGLOQYNK-UHFFFAOYSA-N	0	0	311.301	2.437	10	5		DEBERN
CCOc1cccc(N(C)CC(=O)NC(C)(C)C)c1[N+](=O)[O-]	ZINC000183137015	356161448	/nfs/dbraw/zinc/16/14/48/356161448.db2.gz	FHHHPEUAZARGCB-UHFFFAOYSA-N	0	0	309.366	2.344	10	5		DEBERN
C[C@@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(C)(C)C	ZINC000184475765	356191846	/nfs/dbraw/zinc/19/18/46/356191846.db2.gz	BZSNUBUXFAOPIL-SNVBAGLBSA-N	0	0	300.380	2.449	10	5		DEBERN
Cc1cc(NC(=O)c2ccc3nnn(C)c3c2)ccc1[N+](=O)[O-]	ZINC000185558789	356207617	/nfs/dbraw/zinc/20/76/17/356207617.db2.gz	HAMDXJJZIMMTQY-UHFFFAOYSA-N	0	0	311.301	2.437	10	5		DEBERN
O=C(N[C@H]1CCCOCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000180976902	199235787	/nfs/dbraw/zinc/23/57/87/199235787.db2.gz	YGPNSAJBRZLCPU-JTQLQIEISA-N	0	0	303.318	2.375	10	5		DEBERN
COC(=O)c1ccccc1CCn1cc([N+](=O)[O-])cc(C)c1=O	ZINC000185386287	199847048	/nfs/dbraw/zinc/84/70/48/199847048.db2.gz	BELRYEILMSVXJU-UHFFFAOYSA-N	0	0	316.313	2.094	10	5		DEBERN
COC[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(F)cc1	ZINC000437390088	237811432	/nfs/dbraw/zinc/81/14/32/237811432.db2.gz	VLTKFFBVWCOSAH-GFCCVEGCSA-N	0	0	307.281	2.180	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC(C(C)(C)O)C1	ZINC000275726503	212505025	/nfs/dbraw/zinc/50/50/25/212505025.db2.gz	XWOOQCOSULCDIQ-DHZHZOJOSA-N	0	0	304.346	2.227	10	5		DEBERN
CCCc1n[nH]c(C(=O)NC[C@H](C)c2ccncc2)c1[N+](=O)[O-]	ZINC000610525931	361416668	/nfs/dbraw/zinc/41/66/68/361416668.db2.gz	BPBBFOGLUFOQMN-JTQLQIEISA-N	0	0	317.349	2.199	10	5		DEBERN
C[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])c1ccncc1	ZINC000610525982	361417312	/nfs/dbraw/zinc/41/73/12/361417312.db2.gz	CAJNDZYFHZHKTJ-LBPRGKRZSA-N	0	0	315.329	2.289	10	5		DEBERN
C[C@@H](c1nc(C2CC2)no1)N1CCc2ncc([N+](=O)[O-])cc2C1	ZINC000611522264	361622193	/nfs/dbraw/zinc/62/21/93/361622193.db2.gz	RAOJEROMRQRXBJ-VIFPVBQESA-N	0	0	315.333	2.370	10	5		DEBERN
CC[C@H]1CN(c2cc(OC)ccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1	ZINC000619504160	363813773	/nfs/dbraw/zinc/81/37/73/363813773.db2.gz	HMESBLWFXLUGKK-BLLLJJGKSA-N	0	0	322.361	2.378	10	5		DEBERN
CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1=O	ZINC000619794681	363877727	/nfs/dbraw/zinc/87/77/27/363877727.db2.gz	SNGZTDVKCBLQDW-SECBINFHSA-N	0	0	315.276	2.229	10	5		DEBERN
CC1(C)CCC[C@H](S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1[NH3+]	ZINC000094281649	193355895	/nfs/dbraw/zinc/35/58/95/193355895.db2.gz	AZVABGDSQUAPFE-QWHCGFSZSA-N	0	0	312.391	2.275	10	5		DEBERN
C[C@@](N)(C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F)C(F)(F)F	ZINC000094233386	193352925	/nfs/dbraw/zinc/35/29/25/193352925.db2.gz	IWZYDWDHHKVXJU-SECBINFHSA-N	0	0	313.182	2.091	10	5		DEBERN
Cc1ccsc1CNC(=O)c1ccc(NN)c([N+](=O)[O-])c1	ZINC000094884874	193404953	/nfs/dbraw/zinc/40/49/53/193404953.db2.gz	SRBIKISNLOXHPO-UHFFFAOYSA-N	0	0	306.347	2.180	10	5		DEBERN
Cc1cc(N)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccsc1	ZINC000094780703	193397739	/nfs/dbraw/zinc/39/77/39/193397739.db2.gz	ICLKYJMVOLFGCI-UHFFFAOYSA-N	0	0	313.360	2.348	10	5		DEBERN
Cc1cc(N)c([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1C	ZINC000094780413	193398047	/nfs/dbraw/zinc/39/80/47/193398047.db2.gz	UGEMBMDBHHKFDL-SNVBAGLBSA-N	0	0	313.379	2.049	10	5		DEBERN
COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])s1	ZINC000189904098	284214748	/nfs/dbraw/zinc/21/47/48/284214748.db2.gz	ZHBTXVKPQOTMSA-PTRXPTGYSA-N	0	0	324.358	2.070	10	5		DEBERN
O=C(N[C@H]1Cc2ccccc2[C@H]1O)c1ccc([N+](=O)[O-])s1	ZINC000178690630	284263889	/nfs/dbraw/zinc/26/38/89/284263889.db2.gz	GQRWEZKSIAHHAK-GXFFZTMASA-N	0	0	304.327	2.044	10	5		DEBERN
CC[C@@H](C)NC(=S)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1	ZINC000010450540	181670901	/nfs/dbraw/zinc/67/09/01/181670901.db2.gz	GFIPECZQXZOSJT-QROSGCPLSA-N	0	0	307.375	2.397	10	5		DEBERN
O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1C[C@@H]2CC[C@@H](O)[C@@H]2C1	ZINC000124875472	296210219	/nfs/dbraw/zinc/21/02/19/296210219.db2.gz	ZGZUVXOZHRQDJU-RLCGTCKNSA-N	0	0	310.737	2.091	10	5		DEBERN
CC(C)(C)N1C[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)CC1=O	ZINC000267737443	206250851	/nfs/dbraw/zinc/25/08/51/206250851.db2.gz	WMXFCLONJWYCJO-QMMMGPOBSA-N	0	0	312.757	2.455	10	5		DEBERN
O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCCO1	ZINC000125457804	284606959	/nfs/dbraw/zinc/60/69/59/284606959.db2.gz	MTTHAGZPBFUGOC-UHFFFAOYSA-N	0	0	301.096	2.135	10	5		DEBERN
CNc1ncnc(Nc2cc(OC)ccc2OC)c1[N+](=O)[O-]	ZINC000040595635	183106555	/nfs/dbraw/zinc/10/65/55/183106555.db2.gz	JRAOXSVDXKQNIS-UHFFFAOYSA-N	0	0	305.294	2.187	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC(=O)NC(C)(C)C	ZINC000043149667	183341141	/nfs/dbraw/zinc/34/11/41/183341141.db2.gz	GPTHVSGJUWNLQQ-UHFFFAOYSA-N	0	0	322.365	2.282	10	5		DEBERN
Nc1ncnc2c1ncn2Cc1cc([N+](=O)[O-])ccc1Cl	ZINC000043461199	183365136	/nfs/dbraw/zinc/36/51/36/183365136.db2.gz	YBUAIPVHQIPHSW-UHFFFAOYSA-N	0	0	304.697	2.018	10	5		DEBERN
CC[NH2+][C@@](C)(COc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000045462526	183510245	/nfs/dbraw/zinc/51/02/45/183510245.db2.gz	DVKCVJMGWPWBOG-LBPRGKRZSA-N	0	0	302.714	2.080	10	5		DEBERN
O=C(Nc1cc([N+](=O)[O-])ccc1Br)c1cn[nH]c1	ZINC000159502874	197358992	/nfs/dbraw/zinc/35/89/92/197358992.db2.gz	ICOWGDGPIZMTCY-UHFFFAOYSA-N	0	0	311.095	2.333	10	5		DEBERN
COCc1nc2n(n1)CCC[C@@H]2Nc1ccc([N+](=O)[O-])cc1	ZINC000268419644	206699198	/nfs/dbraw/zinc/69/91/98/206699198.db2.gz	WTAKJZNDGAGDQN-LBPRGKRZSA-N	0	0	303.322	2.280	10	5		DEBERN
CC(=O)c1cc(N(C)Cc2cnn(C)c2C)ccc1[N+](=O)[O-]	ZINC000553230191	291736714	/nfs/dbraw/zinc/73/67/14/291736714.db2.gz	QBVQDZPGYOEPBB-UHFFFAOYSA-N	0	0	302.334	2.476	10	5		DEBERN
CCNc1ccc(S(=O)(=O)N2CCC[C@H]2C)cc1[N+](=O)[O-]	ZINC000050630961	183790966	/nfs/dbraw/zinc/79/09/66/183790966.db2.gz	BQQJQYQBZVLPKM-SNVBAGLBSA-N	0	0	313.379	2.200	10	5		DEBERN
CCCCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1NC	ZINC000050652829	183795235	/nfs/dbraw/zinc/79/52/35/183795235.db2.gz	CYQOFKNSDAWIET-UHFFFAOYSA-N	0	0	315.395	2.447	10	5		DEBERN
CCNc1ccc(S(=O)(=O)N[C@@H](C)C2CC2)cc1[N+](=O)[O-]	ZINC000050654945	183795656	/nfs/dbraw/zinc/79/56/56/183795656.db2.gz	ARKNUMVVCPNYIY-VIFPVBQESA-N	0	0	313.379	2.103	10	5		DEBERN
Nc1cc(C(=O)NCCc2ccsc2)c([N+](=O)[O-])cc1F	ZINC000050709714	183801561	/nfs/dbraw/zinc/80/15/61/183801561.db2.gz	BQTWKIAOHIYHBH-UHFFFAOYSA-N	0	0	309.322	2.350	10	5		DEBERN
CC(C)CCNC(=O)c1cc(Cl)c(NN)c([N+](=O)[O-])c1	ZINC000051091980	183813804	/nfs/dbraw/zinc/81/38/04/183813804.db2.gz	RILAYFINMSNSFC-UHFFFAOYSA-N	0	0	300.746	2.310	10	5		DEBERN
CCOC(=O)CN(CC)c1cc(OC)c(F)cc1[N+](=O)[O-]	ZINC000110625982	194344181	/nfs/dbraw/zinc/34/41/81/194344181.db2.gz	WJJALALZZBMRHY-UHFFFAOYSA-N	0	0	300.286	2.132	10	5		DEBERN
COc1ccc(C(=O)N[C@H]2COc3ccccc32)cc1[N+](=O)[O-]	ZINC000058726174	184127070	/nfs/dbraw/zinc/12/70/70/184127070.db2.gz	DRJVDOUIURLNPU-LBPRGKRZSA-N	0	0	314.297	2.467	10	5		DEBERN
CCNc1ccc(Cl)c(Cn2cccc([N+](=O)[O-])c2=O)n1	ZINC000061639618	184180659	/nfs/dbraw/zinc/18/06/59/184180659.db2.gz	MHZRLDHKLRRHNI-UHFFFAOYSA-N	0	0	308.725	2.285	10	5		DEBERN
Cc1occc1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000066001586	184384533	/nfs/dbraw/zinc/38/45/33/184384533.db2.gz	BJJHIQRFOJMQEW-UHFFFAOYSA-N	0	0	316.360	2.378	10	5		DEBERN
CCOC(=O)c1c(C)nc(N)nc1-c1ccccc1[N+](=O)[O-]	ZINC000066134267	184391973	/nfs/dbraw/zinc/39/19/73/184391973.db2.gz	MUWOHWUFQPAJLC-UHFFFAOYSA-N	0	0	302.290	2.119	10	5		DEBERN
C[C@H]1C[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1	ZINC000159079795	197325954	/nfs/dbraw/zinc/32/59/54/197325954.db2.gz	UHUCKEFWQLRTLZ-NTSWFWBYSA-N	0	0	310.784	2.244	10	5		DEBERN
C[C@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1	ZINC000157413809	197185522	/nfs/dbraw/zinc/18/55/22/197185522.db2.gz	PKHIFIVAHCHYSO-LURJTMIESA-N	0	0	310.784	2.483	10	5		DEBERN
NNc1c(Cl)cc(C(=O)NCCC2CCC2)cc1[N+](=O)[O-]	ZINC000157284258	197176018	/nfs/dbraw/zinc/17/60/18/197176018.db2.gz	RSGSGSSNPSQSAS-UHFFFAOYSA-N	0	0	312.757	2.454	10	5		DEBERN
O=[N+]([O-])c1cc(Br)cnc1NCC1(CCO)CC1	ZINC000157233180	197171905	/nfs/dbraw/zinc/17/19/05/197171905.db2.gz	NDMIQBWKXWEHBD-UHFFFAOYSA-N	0	0	316.155	2.327	10	5		DEBERN
COC(=O)[C@@]12CCC[C@H]1CN(c1cc(C)c([N+](=O)[O-])cn1)C2	ZINC000302163740	533154010	/nfs/dbraw/zinc/15/40/10/533154010.db2.gz	KIYWMMCDDFIGGO-XHDPSFHLSA-N	0	0	305.334	2.078	10	5		DEBERN
CCNc1cc(NC[C@H]2CCCS2(=O)=O)cc([N+](=O)[O-])c1	ZINC000155522503	197062987	/nfs/dbraw/zinc/06/29/87/197062987.db2.gz	GTRHWBFXTWJJKK-CYBMUJFWSA-N	0	0	313.379	2.016	10	5		DEBERN
C[C@@H]1CN(C)C[C@H](C)N1C(=O)CSc1ccc([N+](=O)[O-])cc1	ZINC000155179569	197029668	/nfs/dbraw/zinc/02/96/68/197029668.db2.gz	DVAXQSYOVNOUBW-TXEJJXNPSA-N	0	0	323.418	2.238	10	5		DEBERN
Cc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1OCC1CCCC1	ZINC000123202354	195554909	/nfs/dbraw/zinc/55/49/09/195554909.db2.gz	RWJODZPDTYLZNP-UHFFFAOYSA-N	0	0	314.363	2.120	10	5		DEBERN
C[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)[C@@H]1C	ZINC000125457258	195751926	/nfs/dbraw/zinc/75/19/26/195751926.db2.gz	YLKAEUIFAOPASR-HTQZYQBOSA-N	0	0	319.408	2.048	10	5		DEBERN
CCNc1cccc(Sc2n[nH]c(=O)n2CC)c1[N+](=O)[O-]	ZINC000127052866	195847645	/nfs/dbraw/zinc/84/76/45/195847645.db2.gz	IOJZQZPMNYGZMK-UHFFFAOYSA-N	0	0	309.351	2.083	10	5		DEBERN
O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCOC2(CCC2)C1	ZINC000127875771	195917594	/nfs/dbraw/zinc/91/75/94/195917594.db2.gz	CJDXFQSBDJNJCF-UHFFFAOYSA-N	0	0	315.329	2.471	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(C[S@@](C)=O)no1	ZINC000356961446	533381493	/nfs/dbraw/zinc/38/14/93/533381493.db2.gz	IONBMEPCRAMUPD-XYBJCVHJSA-N	0	0	307.331	2.417	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(CS(C)(=O)=O)no1	ZINC000355504345	533405976	/nfs/dbraw/zinc/40/59/76/533405976.db2.gz	FUCDTRXFMBYIKY-VQHVLOKHSA-N	0	0	323.330	2.083	10	5		DEBERN
COC(=O)[C@]12CCC[C@@H]1CN(c1ncc([N+](=O)[O-])cc1C)C2	ZINC000302202714	533639246	/nfs/dbraw/zinc/63/92/46/533639246.db2.gz	VUGCEGJMFZTCSW-ABAIWWIYSA-N	0	0	305.334	2.078	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(NCCCc2nnc3ccccn32)n1	ZINC000360676561	133194773	/nfs/dbraw/zinc/19/47/73/133194773.db2.gz	PTKBNTIEKVOLOW-UHFFFAOYSA-N	0	0	312.333	2.386	10	5		DEBERN
C[C@H]1CCOCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl	ZINC000362292156	133222592	/nfs/dbraw/zinc/22/25/92/133222592.db2.gz	ZDHABGJDVZLRFV-JTQLQIEISA-N	0	0	312.753	2.428	10	5		DEBERN
O=[N+]([O-])c1ccc(CO)cc1N1CC[C@]2(O)CCCC[C@H]2C1	ZINC000302025149	296504335	/nfs/dbraw/zinc/50/43/35/296504335.db2.gz	HLGJQAYOVXSTDO-XJKSGUPXSA-N	0	0	306.362	2.219	10	5		DEBERN
C[C@H](C(=O)N1CCSC[C@@H]1CCO)c1cccc([N+](=O)[O-])c1	ZINC000564723443	292107254	/nfs/dbraw/zinc/10/72/54/292107254.db2.gz	UJOZHRYVRVBYFJ-FZMZJTMJSA-N	0	0	324.402	2.025	10	5		DEBERN
O=C(c1csc([N+](=O)[O-])c1)N1CCC(c2cc[nH]n2)CC1	ZINC000172384775	144820066	/nfs/dbraw/zinc/82/00/66/144820066.db2.gz	QFYNBYKXYKFANL-UHFFFAOYSA-N	0	0	306.347	2.399	10	5		DEBERN
CCc1nc(CNC(=O)Cc2cccc([N+](=O)[O-])c2)cs1	ZINC000173609677	144845511	/nfs/dbraw/zinc/84/55/11/144845511.db2.gz	FPKOONKYPWRQGG-UHFFFAOYSA-N	0	0	305.359	2.473	10	5		DEBERN
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1	ZINC000262533359	145290609	/nfs/dbraw/zinc/29/06/09/145290609.db2.gz	PYQPNSLDHOVVOZ-GAFUQQFSSA-N	0	0	305.334	2.160	10	5		DEBERN
COC(=O)[C@H]1CCCN(c2cc([N+](=O)[O-])ccc2C(C)=O)C1	ZINC000360987271	147423912	/nfs/dbraw/zinc/42/39/12/147423912.db2.gz	YWLFFTYNUZDQHK-NSHDSACASA-N	0	0	306.318	2.187	10	5		DEBERN
COC(=O)c1cc([N+](=O)[O-])cn(C[C@H](C)c2ccccc2)c1=O	ZINC000128068101	401761364	/nfs/dbraw/zinc/76/13/64/401761364.db2.gz	YWVQGXJEGFZSRK-NSHDSACASA-N	0	0	316.313	2.347	10	5		DEBERN
CCOC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2C)C1	ZINC000113828468	401786161	/nfs/dbraw/zinc/78/61/61/401786161.db2.gz	OYXDINDHJVWNPY-GFCCVEGCSA-N	0	0	307.350	2.187	10	5		DEBERN
COC(=O)[C@@](C)(NC(=O)c1cc([N+](=O)[O-])c(C)s1)C1CC1	ZINC000130002343	401814929	/nfs/dbraw/zinc/81/49/29/401814929.db2.gz	OORLDNJXWODBSK-ZDUSSCGKSA-N	0	0	312.347	2.036	10	5		DEBERN
CCOC(=O)CC[C@@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000089689905	401957418	/nfs/dbraw/zinc/95/74/18/401957418.db2.gz	AZGRSAJBDPBPJO-SNVBAGLBSA-N	0	0	309.322	2.448	10	5		DEBERN
C[C@@H](O)C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1	ZINC000136312935	401965617	/nfs/dbraw/zinc/96/56/17/401965617.db2.gz	OAQVEGYJRLXRPO-RPTYSRGTSA-N	0	0	304.346	2.227	10	5		DEBERN
Cc1c(C(=O)N[C@@H](C)[C@@H]2CCCO2)cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000046218148	401967972	/nfs/dbraw/zinc/96/79/72/401967972.db2.gz	OJQVVFJQKHBGRO-ZANVPECISA-N	0	0	323.305	2.109	10	5		DEBERN
CCC(C)(CC)NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1	ZINC000150814296	401996744	/nfs/dbraw/zinc/99/67/44/401996744.db2.gz	BOUNBWRRGCQWDL-UHFFFAOYSA-N	0	0	316.379	2.460	10	5		DEBERN
CCc1cc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)n[nH]1	ZINC000102784867	402172219	/nfs/dbraw/zinc/17/22/19/402172219.db2.gz	IJRZOBFDSPFEOO-UHFFFAOYSA-N	0	0	300.278	2.009	10	5		DEBERN
O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC(c2cc[nH]n2)CC1	ZINC000125216982	402219756	/nfs/dbraw/zinc/21/97/56/402219756.db2.gz	SJZMAOYOVYKXLI-UHFFFAOYSA-N	0	0	318.308	2.477	10	5		DEBERN
CC(C)(C)C1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1	ZINC000177944218	402446153	/nfs/dbraw/zinc/44/61/53/402446153.db2.gz	OBMZUJQNGDDEOM-UHFFFAOYSA-N	0	0	323.397	2.259	10	5		DEBERN
Cc1sc(C(=O)Nc2ccc3nncn3c2)cc1[N+](=O)[O-]	ZINC000179489776	402592278	/nfs/dbraw/zinc/59/22/78/402592278.db2.gz	JKASLXGMSQBBKQ-UHFFFAOYSA-N	0	0	303.303	2.260	10	5		DEBERN
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCOC1	ZINC000171694755	402611101	/nfs/dbraw/zinc/61/11/01/402611101.db2.gz	RWGJSYSVTJOJMW-GHMZBOCLSA-N	0	0	310.375	2.371	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC(C)(C)OC1(C)C	ZINC000180553062	402619621	/nfs/dbraw/zinc/61/96/21/402619621.db2.gz	SAPDOYJZNASLEI-GFCCVEGCSA-N	0	0	307.350	2.374	10	5		DEBERN
CCc1ccc(C(=O)NCC2(C)OCCCO2)cc1[N+](=O)[O-]	ZINC000191101297	402641786	/nfs/dbraw/zinc/64/17/86/402641786.db2.gz	YMYPVIRPDBTKPS-UHFFFAOYSA-N	0	0	308.334	2.040	10	5		DEBERN
CCCn1nccc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2	ZINC000181388900	402643520	/nfs/dbraw/zinc/64/35/20/402643520.db2.gz	VZHGJTOBRVFBAO-UHFFFAOYSA-N	0	0	318.289	2.182	10	5		DEBERN
CCOC(=O)[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000181574969	402650147	/nfs/dbraw/zinc/65/01/47/402650147.db2.gz	OXGBMKROLDTWNK-VIFPVBQESA-N	0	0	312.347	2.132	10	5		DEBERN
CC(C)[C@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000172666266	402668956	/nfs/dbraw/zinc/66/89/56/402668956.db2.gz	OFOAJUMNGGAHKX-SECBINFHSA-N	0	0	304.343	2.304	10	5		DEBERN
COC(C)(C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000173517138	402700449	/nfs/dbraw/zinc/70/04/49/402700449.db2.gz	BODVUGYZWFXCTK-MRVPVSSYSA-N	0	0	322.408	2.138	10	5		DEBERN
CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(CO)c(F)c1	ZINC000192524006	402734428	/nfs/dbraw/zinc/73/44/28/402734428.db2.gz	HORJNAQFPVQRTO-UHFFFAOYSA-N	0	0	308.313	2.363	10	5		DEBERN
CCC1(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC1	ZINC000175657016	402823926	/nfs/dbraw/zinc/82/39/26/402823926.db2.gz	DFSJOGLGHKXXJC-UHFFFAOYSA-N	0	0	314.363	2.072	10	5		DEBERN
CC1(C)CCCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1	ZINC000183644241	402784785	/nfs/dbraw/zinc/78/47/85/402784785.db2.gz	HTONXRHRKGWSLJ-UHFFFAOYSA-N	0	0	312.391	2.342	10	5		DEBERN
CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cn2)CCN1CC(F)F	ZINC000270795037	403225452	/nfs/dbraw/zinc/22/54/52/403225452.db2.gz	MHULSCRZMIGVKY-LLVKDONJSA-N	0	0	314.336	2.464	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1C(=O)NCCOCC1CCC1	ZINC000566830200	292270465	/nfs/dbraw/zinc/27/04/65/292270465.db2.gz	SRFCJYWDBPKZNK-UHFFFAOYSA-N	0	0	308.334	2.150	10	5		DEBERN
COC(=O)c1cnc(N(C)Cc2nc(C)cs2)c([N+](=O)[O-])c1	ZINC000302743546	403719876	/nfs/dbraw/zinc/71/98/76/403719876.db2.gz	DVUPOYRMRXHGSY-UHFFFAOYSA-N	0	0	322.346	2.178	10	5		DEBERN
O=[N+]([O-])c1cccc(CN2CC(O)(c3ccc(F)cc3)C2)c1	ZINC000364326530	404350825	/nfs/dbraw/zinc/35/08/25/404350825.db2.gz	GITHUEANNITCEX-UHFFFAOYSA-N	0	0	302.305	2.437	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1	ZINC000408134162	405120338	/nfs/dbraw/zinc/12/03/38/405120338.db2.gz	REIYCZZFYKDZLA-KBPBESRZSA-N	0	0	321.377	2.167	10	5		DEBERN
O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1[C@@H]2CC[C@H]1CC(=O)C2	ZINC000408467973	405213715	/nfs/dbraw/zinc/21/37/15/405213715.db2.gz	PBQMVDLOYTUARH-PHIMTYICSA-N	0	0	307.281	2.462	10	5		DEBERN
COC(=O)CN(CCc1ccccc1)c1ccc([N+](=O)[O-])nc1	ZINC000450429044	405893124	/nfs/dbraw/zinc/89/31/24/405893124.db2.gz	YGWHBRDKZKUVJS-UHFFFAOYSA-N	0	0	315.329	2.212	10	5		DEBERN
C[C@H]1CN(C(=O)C(C)(C)C)CCN1c1ccc([N+](=O)[O-])cn1	ZINC000606302524	405909803	/nfs/dbraw/zinc/90/98/03/405909803.db2.gz	WMZMLZMURWFPDM-NSHDSACASA-N	0	0	306.366	2.073	10	5		DEBERN
CNc1ccc(C(=O)N[C@H](C)Cc2cc(C)n[nH]2)cc1[N+](=O)[O-]	ZINC000531760663	406004020	/nfs/dbraw/zinc/00/40/20/406004020.db2.gz	LAZOADOIIUUERJ-SECBINFHSA-N	0	0	317.349	2.029	10	5		DEBERN
COc1cc(C(=O)N[C@H]2CC[C@H](OC)C2)c([N+](=O)[O-])cc1F	ZINC000451110996	406054250	/nfs/dbraw/zinc/05/42/50/406054250.db2.gz	RFHXNFKMSYQLEE-IUCAKERBSA-N	0	0	312.297	2.040	10	5		DEBERN
Cc1ccc(CCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)o1	ZINC000533096490	406120471	/nfs/dbraw/zinc/12/04/71/406120471.db2.gz	IPRQNHDQFUOCTQ-UHFFFAOYSA-N	0	0	324.358	2.158	10	5		DEBERN
CCOc1ccc(C(=O)N(C)c2ccc(C)nn2)cc1[N+](=O)[O-]	ZINC000525685352	406495070	/nfs/dbraw/zinc/49/50/70/406495070.db2.gz	WKVZSJNXSNVBRH-UHFFFAOYSA-N	0	0	316.317	2.369	10	5		DEBERN
Cc1c(CNC(=O)c2c[nH]nc2[N+](=O)[O-])oc2ccccc12	ZINC000548954785	406569071	/nfs/dbraw/zinc/56/90/71/406569071.db2.gz	RJGXTWXSSSULQZ-UHFFFAOYSA-N	0	0	300.274	2.303	10	5		DEBERN
NC(=O)c1c(OC(F)F)c(Br)ccc1[N+](=O)[O-]	ZINC000575684357	406818224	/nfs/dbraw/zinc/81/82/24/406818224.db2.gz	UUJMIJWLKZJPNP-UHFFFAOYSA-N	0	0	311.038	2.058	10	5		DEBERN
CCOc1c(I)cc([N+](=O)[O-])cc1C=O	ZINC000575697872	406819601	/nfs/dbraw/zinc/81/96/01/406819601.db2.gz	PVIBHCLVDGUTNX-UHFFFAOYSA-N	0	0	321.070	2.411	10	5		DEBERN
CCNc1c(C(=O)NCc2cncs2)cccc1[N+](=O)[O-]	ZINC000128688239	195984372	/nfs/dbraw/zinc/98/43/72/195984372.db2.gz	CSPMCMSJUWETTC-UHFFFAOYSA-N	0	0	306.347	2.413	10	5		DEBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)cc1F	ZINC000129869925	196081556	/nfs/dbraw/zinc/08/15/56/196081556.db2.gz	MZPBVEYTHFCYEW-UWVGGRQHSA-N	0	0	314.338	2.155	10	5		DEBERN
C[C@@H]1C[C@H]1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131228453	196151149	/nfs/dbraw/zinc/15/11/49/196151149.db2.gz	MCKRQCZUBAGFGV-BDAKNGLRSA-N	0	0	302.327	2.010	10	5		DEBERN
CS(=O)(=O)[C@@H]1CCC[C@@H]1Nc1c(F)cccc1[N+](=O)[O-]	ZINC000132430512	196255199	/nfs/dbraw/zinc/25/51/99/196255199.db2.gz	FYKVODCOPLQDOC-GXSJLCMTSA-N	0	0	302.327	2.112	10	5		DEBERN
CS(=O)(=O)[C@H]1CCC[C@@H]1Nc1c(F)cccc1[N+](=O)[O-]	ZINC000132430726	196255380	/nfs/dbraw/zinc/25/53/80/196255380.db2.gz	FYKVODCOPLQDOC-ONGXEEELSA-N	0	0	302.327	2.112	10	5		DEBERN
CCCC[C@@H](C(=O)OC)n1cc(Br)c([N+](=O)[O-])n1	ZINC000132467752	196258079	/nfs/dbraw/zinc/25/80/79/196258079.db2.gz	BGIIRQXPZFSFCJ-QMMMGPOBSA-N	0	0	320.143	2.458	10	5		DEBERN
CCC(CC)[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1	ZINC000132686635	196275556	/nfs/dbraw/zinc/27/55/56/196275556.db2.gz	JHIRKPAVMULDRG-VIFPVBQESA-N	0	0	315.395	2.280	10	5		DEBERN
C[C@H](CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[S@@](C)=O	ZINC000132912183	196296574	/nfs/dbraw/zinc/29/65/74/196296574.db2.gz	CUCVDCJNVNXCRR-SQFXPLBJSA-N	0	0	318.782	2.135	10	5		DEBERN
O=[N+]([O-])c1ccn(-c2ccnc3cc(Br)cnc32)n1	ZINC000135553699	196486488	/nfs/dbraw/zinc/48/64/88/196486488.db2.gz	IXGSMCRVQMDVCH-UHFFFAOYSA-N	0	0	320.106	2.486	10	5		DEBERN
Cc1c(F)cc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-]	ZINC000132495354	224641821	/nfs/dbraw/zinc/64/18/21/224641821.db2.gz	RCRIRQWFALCBSS-SECBINFHSA-N	0	0	316.354	2.463	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCCc2ccc(F)cc2C)n1	ZINC000191663733	225115198	/nfs/dbraw/zinc/11/51/98/225115198.db2.gz	RLSZOVAFZUZJGG-UHFFFAOYSA-N	0	0	320.324	2.231	10	5		DEBERN
O=c1cc(CN2CCNC(=O)CC2)c2c(ccc3ccccc32)o1	ZINC000054257680	275043565	/nfs/dbraw/zinc/04/35/65/275043565.db2.gz	KKLFDGPAIDPCFL-UHFFFAOYSA-N	0	0	322.364	2.268	10	5		DEBERN
COC1(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CCCCC1	ZINC000408322382	277179980	/nfs/dbraw/zinc/17/99/80/277179980.db2.gz	YCONFCCDKAJVRZ-UHFFFAOYSA-N	0	0	319.361	2.224	10	5		DEBERN
C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@@H]1C[C@@]12CCOC2	ZINC000364941335	278038434	/nfs/dbraw/zinc/03/84/34/278038434.db2.gz	KNMQIGKJBAPUNJ-AKWBHNSASA-N	0	0	302.330	2.299	10	5		DEBERN
O=[N+]([O-])c1ccc(F)cc1N1CCN(Cc2ccncc2)CC1	ZINC000302827065	280365215	/nfs/dbraw/zinc/36/52/15/280365215.db2.gz	BAISICSSAVIWSG-UHFFFAOYSA-N	0	0	316.336	2.451	10	5		DEBERN
Cc1cc(N2CCS(=O)(=O)[C@@H](C)C2)c(Cl)cc1[N+](=O)[O-]	ZINC000160751671	280565369	/nfs/dbraw/zinc/56/53/69/280565369.db2.gz	SNKMAIVXLLBYIZ-VIFPVBQESA-N	0	0	318.782	2.180	10	5		DEBERN
CNC(=O)Cc1nc(COc2ccc(C)c([N+](=O)[O-])c2)cs1	ZINC000131790705	281972546	/nfs/dbraw/zinc/97/25/46/281972546.db2.gz	LFSUBTUHSHNXCT-UHFFFAOYSA-N	0	0	321.358	2.227	10	5		DEBERN
COC(=O)c1cc(N(C)C[C@H]2CCCCO2)ccc1[N+](=O)[O-]	ZINC000301105661	533850007	/nfs/dbraw/zinc/85/00/07/533850007.db2.gz	TVIRKZLLQNNKDV-GFCCVEGCSA-N	0	0	308.334	2.387	10	5		DEBERN
NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1C[C@H]1c1ccc(F)cc1	ZINC000302848870	534473764	/nfs/dbraw/zinc/47/37/64/534473764.db2.gz	HUPPTZDETRMRBE-WCQYABFASA-N	0	0	316.292	2.196	10	5		DEBERN
COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H]1C	ZINC000132237125	521781083	/nfs/dbraw/zinc/78/10/83/521781083.db2.gz	RHUUFYFITZFABA-CABZTGNLSA-N	0	0	310.375	2.472	10	5		DEBERN
COC[C@H](C)C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-]	ZINC000156949710	522550915	/nfs/dbraw/zinc/55/09/15/522550915.db2.gz	UZLCRLZXLYDVGG-LBPRGKRZSA-N	0	0	309.366	2.104	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](O)Cc1ccccc1	ZINC000104912720	525560398	/nfs/dbraw/zinc/56/03/98/525560398.db2.gz	FHLCYXUGTTUVGL-HNNXBMFYSA-N	0	0	314.341	2.237	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(Cn2cncn2)no1	ZINC000445386199	527527335	/nfs/dbraw/zinc/52/73/35/527527335.db2.gz	QNUXSUFMQVXTAD-UXBLZVDNSA-N	0	0	312.289	2.178	10	5		DEBERN
CCCC(=O)N[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000299667919	527945575	/nfs/dbraw/zinc/94/55/75/527945575.db2.gz	MRADBNOACIABIB-CYBMUJFWSA-N	0	0	319.361	2.116	10	5		DEBERN
CCC(=O)N1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1	ZINC000301201722	528331223	/nfs/dbraw/zinc/33/12/23/528331223.db2.gz	WXJAOWNUBMCWMF-UHFFFAOYSA-N	0	0	314.345	2.202	10	5		DEBERN
CCC1(CC)CN(c2cc(C)c([N+](=O)[O-])cn2)CC[S@]1=O	ZINC000302214601	529085912	/nfs/dbraw/zinc/08/59/12/529085912.db2.gz	GQQXGPBDMPTYHJ-NRFANRHFSA-N	0	0	311.407	2.426	10	5		DEBERN
CC[C@@H](Nc1ccc(C(=O)NC)cc1[N+](=O)[O-])c1noc(C)n1	ZINC000301469763	529209609	/nfs/dbraw/zinc/20/96/09/529209609.db2.gz	IIFNUELUHPPXCS-SNVBAGLBSA-N	0	0	319.321	2.209	10	5		DEBERN
COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccc([N+](=O)[O-])cc1	ZINC000248788047	536552150	/nfs/dbraw/zinc/55/21/50/536552150.db2.gz	CVUMVJYMRITGSG-CFVMTHIKSA-N	0	0	304.346	2.368	10	5		DEBERN
COC(=O)[C@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1	ZINC000358823534	536735971	/nfs/dbraw/zinc/73/59/71/536735971.db2.gz	WFQDHNIEHIDGSQ-CYBMUJFWSA-N	0	0	312.753	2.332	10	5		DEBERN
CC(=O)c1cc([N+](=O)[O-])ccc1N1CCO[C@@H](C(F)F)C1	ZINC000804694750	623163895	/nfs/dbraw/zinc/16/38/95/623163895.db2.gz	UYRDPGDXZRLTHH-GFCCVEGCSA-N	0	0	300.261	2.268	10	5		DEBERN
Cc1cc([C@H]2CN(Cn3cc([N+](=O)[O-])cn3)CCO2)ccc1F	ZINC000161115430	624802215	/nfs/dbraw/zinc/80/22/15/624802215.db2.gz	FLKZSDOPKZJXMM-OAHLLOKOSA-N	0	0	320.324	2.270	10	5		DEBERN
COC(=O)/C(C)=C/COC(=O)CCOc1ccccc1[N+](=O)[O-]	ZINC000748179005	638521792	/nfs/dbraw/zinc/52/17/92/638521792.db2.gz	NBJXDOXODUTLPC-YRNVUSSQSA-N	0	0	323.301	2.026	10	5		DEBERN
C/C(=C/C(=O)OCC(=O)NCC1CC1)c1ccc([N+](=O)[O-])cc1	ZINC000752350839	639174546	/nfs/dbraw/zinc/17/45/46/639174546.db2.gz	PFZTWVKUDQTOKA-FLIBITNWSA-N	0	0	318.329	2.068	10	5		DEBERN
CCOC(=O)[C@H](CC1CC1)NC(=O)c1cc([N+](=O)[O-])ccc1F	ZINC000752387143	639179531	/nfs/dbraw/zinc/17/95/31/639179531.db2.gz	NIHDFOISHLFTOX-ZDUSSCGKSA-N	0	0	324.308	2.196	10	5		DEBERN
C/C(=C/C(=O)N[C@@H]1C=C[C@H](CO)C1)c1ccc([N+](=O)[O-])cc1	ZINC000752578604	639199523	/nfs/dbraw/zinc/19/95/23/639199523.db2.gz	CQBJLOJAUVIOED-CTFRTPTRSA-N	0	0	302.330	2.051	10	5		DEBERN
C/C(=C/C(=O)NCC[C@H](C)[S@](C)=O)c1ccc([N+](=O)[O-])cc1	ZINC000752579394	639200013	/nfs/dbraw/zinc/20/00/13/639200013.db2.gz	JJTISVZZZMVFSL-OOWCCNCMSA-N	0	0	324.402	2.271	10	5		DEBERN
Cc1ccc(C(=O)O[C@@H](C(=O)N(C)C)C(C)C)cc1[N+](=O)[O-]	ZINC000729696527	640827586	/nfs/dbraw/zinc/82/75/86/640827586.db2.gz	OPZHEJLNISKMSA-CYBMUJFWSA-N	0	0	308.334	2.173	10	5		DEBERN
CC(=O)CCC(=O)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1	ZINC000800407274	645268167	/nfs/dbraw/zinc/26/81/67/645268167.db2.gz	AUFZNBNLLKQAEP-AWEZNQCLSA-N	0	0	306.318	2.086	10	5		DEBERN
C[C@@H](OC[C@@H]1CCCO1)C(=O)OCCc1ccccc1[N+](=O)[O-]	ZINC000151258029	646321948	/nfs/dbraw/zinc/32/19/48/646321948.db2.gz	LOJFDARKUVPITC-OCCSQVGLSA-N	0	0	323.345	2.265	10	5		DEBERN
C[C@H]1CN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CCS1	ZINC000171605607	646707517	/nfs/dbraw/zinc/70/75/17/646707517.db2.gz	RENHZKUHWKIMEY-NSHDSACASA-N	0	0	319.390	2.248	10	5		DEBERN
Cc1csc([C@H]2CCCN(Cn3nccc3[N+](=O)[O-])C2)n1	ZINC000195305377	648219799	/nfs/dbraw/zinc/21/97/99/648219799.db2.gz	DRGYVDWBWJSPLG-NSHDSACASA-N	0	0	307.379	2.393	10	5		DEBERN
C[C@@H]1C[C@@H]1COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000067901918	648374182	/nfs/dbraw/zinc/37/41/82/648374182.db2.gz	UYTFVCGRLXOBGI-VXGBXAGGSA-N	0	0	320.345	2.244	10	5		DEBERN
Cc1ccn2ncc(C(=O)OCc3cccc([N+](=O)[O-])c3)c2n1	ZINC000068674158	648489703	/nfs/dbraw/zinc/48/97/03/648489703.db2.gz	XSEALIPUJVJUAJ-UHFFFAOYSA-N	0	0	312.285	2.303	10	5		DEBERN
COCc1csc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)n1	ZINC000115477274	652162904	/nfs/dbraw/zinc/16/29/04/652162904.db2.gz	XWTOGLFEOQAORM-UHFFFAOYSA-N	0	0	308.319	2.032	10	5		DEBERN
Cc1cnn(CCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1	ZINC000117987056	684069888	/nfs/dbraw/zinc/06/98/88/684069888.db2.gz	HJCYJEBCIPPSTK-UHFFFAOYSA-N	0	0	308.725	2.183	10	5		DEBERN
COc1ccccc1[C@H](O)CNC(=O)c1csc([N+](=O)[O-])c1	ZINC000147764876	684262106	/nfs/dbraw/zinc/26/21/06/684262106.db2.gz	WNMWQBLRFYGURJ-LLVKDONJSA-N	0	0	322.342	2.128	10	5		DEBERN
O=C(Cn1cc([N+](=O)[O-])cn1)O[C@@H]1CCCc2ccccc21	ZINC000193651045	685046408	/nfs/dbraw/zinc/04/64/08/685046408.db2.gz	HATPWYQCUOCUCI-CQSZACIVSA-N	0	0	301.302	2.412	10	5		DEBERN
COC(=O)[C@@H]1C[C@H]1C(=O)O[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1	ZINC000247063020	685142113	/nfs/dbraw/zinc/14/21/13/685142113.db2.gz	WDXHNVPAJRJWPX-MVWJERBFSA-N	0	0	307.302	2.317	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(NCC(C)(C)CS(C)(=O)=O)c1	ZINC000723850530	777188498	/nfs/dbraw/zinc/18/84/98/777188498.db2.gz	AMDZRPXTOTUQIZ-UHFFFAOYSA-N	0	0	300.380	2.386	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)N1CCCC1	ZINC000588438651	777194976	/nfs/dbraw/zinc/19/49/76/777194976.db2.gz	KVXIGXJZDWNJDB-ZRDIBKRKSA-N	0	0	318.329	2.164	10	5		DEBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1c[nH]c(C(N)=O)c1	ZINC000588446409	777203340	/nfs/dbraw/zinc/20/33/40/777203340.db2.gz	ROCLULZENINAET-TWGQIWQCSA-N	0	0	314.301	2.064	10	5		DEBERN
CS[C@@H](CO)[C@H](C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000228244734	796666288	/nfs/dbraw/zinc/66/62/88/796666288.db2.gz	CFDCWPYOMCTCGA-XVKPBYJWSA-N	0	0	318.782	2.090	10	5		DEBERN
Cc1c(NC(=O)C(=O)N2C[C@H](C)CC[C@@H]2C)cccc1[N+](=O)[O-]	ZINC000076728616	185035687	/nfs/dbraw/zinc/03/56/87/185035687.db2.gz	GEGMJXGRQVXYQC-MNOVXSKESA-N	0	0	319.361	2.489	10	5		DEBERN
C[C@@H]1COC[C@@H](C)N1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000077138340	185111991	/nfs/dbraw/zinc/11/19/91/185111991.db2.gz	JRFMRGDYWHQSAK-NXEZZACHSA-N	0	0	303.318	2.326	10	5		DEBERN
CC(=O)N1CCC(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1	ZINC000278607555	214271523	/nfs/dbraw/zinc/27/15/23/214271523.db2.gz	ZVKHZVCNQAHETB-UHFFFAOYSA-N	0	0	317.349	2.142	10	5		DEBERN
Cn1nccc1CNc1ncc([N+](=O)[O-])cc1Br	ZINC000081941534	192344386	/nfs/dbraw/zinc/34/43/86/192344386.db2.gz	LOCWBJBBTHYHQW-UHFFFAOYSA-N	0	0	312.127	2.098	10	5		DEBERN
C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccncc1	ZINC000612794057	361916908	/nfs/dbraw/zinc/91/69/08/361916908.db2.gz	XKNPPFQQQMDKNH-NSHDSACASA-N	0	0	321.358	2.072	10	5		DEBERN
O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCO1	ZINC000152606482	282148977	/nfs/dbraw/zinc/14/89/77/282148977.db2.gz	PWIZBTPZUVXZGQ-UHFFFAOYSA-N	0	0	305.315	2.496	10	5		DEBERN
COCc1csc(NC(=O)Cc2cccc([N+](=O)[O-])c2)n1	ZINC000173044206	282184866	/nfs/dbraw/zinc/18/48/66/282184866.db2.gz	QWWVPMVFNNAPCE-UHFFFAOYSA-N	0	0	307.331	2.379	10	5		DEBERN
CN(C)C(=O)CCNc1cc(Br)ccc1[N+](=O)[O-]	ZINC000087834210	185232768	/nfs/dbraw/zinc/23/27/68/185232768.db2.gz	ODDZUYUQDBFIDL-UHFFFAOYSA-N	0	0	316.155	2.248	10	5		DEBERN
CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])s1	ZINC000088198501	185241655	/nfs/dbraw/zinc/24/16/55/185241655.db2.gz	PRJJCJHNBMHWHC-QMMMGPOBSA-N	0	0	321.362	2.075	10	5		DEBERN
CC[C@H](C)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N	ZINC000088311771	185245265	/nfs/dbraw/zinc/24/52/65/185245265.db2.gz	FUSXYGBAZIHMMR-UWVGGRQHSA-N	0	0	315.395	2.280	10	5		DEBERN
O=C(Nc1cnc(Br)cn1)c1cccc([N+](=O)[O-])c1	ZINC000088448125	185251483	/nfs/dbraw/zinc/25/14/83/185251483.db2.gz	HJCFVJKYCWVJBF-UHFFFAOYSA-N	0	0	323.106	2.400	10	5		DEBERN
CCOCCN(CC)C(=O)c1ccnc(Cl)c1[N+](=O)[O-]	ZINC000088806269	185266210	/nfs/dbraw/zinc/26/62/10/185266210.db2.gz	JFNFSZYWGQBGJU-UHFFFAOYSA-N	0	0	301.730	2.142	10	5		DEBERN
CC[C@H](Nc1ccc([N+](=O)[O-])cc1Br)C(N)=O	ZINC000292404940	529676910	/nfs/dbraw/zinc/67/69/10/529676910.db2.gz	SAHTTZJUTPBCTJ-QMMMGPOBSA-N	0	0	302.128	2.033	10	5		DEBERN
COC(=O)C[C@H](C)[S@](=O)Cc1c(Cl)cccc1[N+](=O)[O-]	ZINC000090101793	185282325	/nfs/dbraw/zinc/28/23/25/185282325.db2.gz	URCXONACCCGKKA-FHZGZLOMSA-N	0	0	319.766	2.449	10	5		DEBERN
COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)c2nccs2)n1	ZINC000166783767	197699052	/nfs/dbraw/zinc/69/90/52/197699052.db2.gz	CXIYYUPLQBTWSD-ZETCQYMHSA-N	0	0	308.319	2.406	10	5		DEBERN
CC1(C)CC[C@@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)O1	ZINC000186381617	282274076	/nfs/dbraw/zinc/27/40/76/282274076.db2.gz	OYZFRCNIFPTZMM-AWEZNQCLSA-N	0	0	321.377	2.394	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NCCc1ccccc1F	ZINC000195142468	282369723	/nfs/dbraw/zinc/36/97/23/282369723.db2.gz	KZRMUUNJNQKYBR-UHFFFAOYSA-N	0	0	303.293	2.410	10	5		DEBERN
Cc1cccc(OCCNC(=O)c2cc([N+](=O)[O-])cnc2C)c1	ZINC000195063336	282368241	/nfs/dbraw/zinc/36/82/41/282368241.db2.gz	UNGXQXXLCANPFU-UHFFFAOYSA-N	0	0	315.329	2.415	10	5		DEBERN
CCC[C@@H](CC)NS(=O)(=O)c1cccc(N)c1[N+](=O)[O-]	ZINC000126936263	185905966	/nfs/dbraw/zinc/90/59/66/185905966.db2.gz	NIDZRXPCTKLZNX-SECBINFHSA-N	0	0	301.368	2.034	10	5		DEBERN
O=[N+]([O-])c1cc(CNCc2ncc[nH]2)ccc1Br	ZINC000080584729	192169843	/nfs/dbraw/zinc/16/98/43/192169843.db2.gz	QCFGINHBQWWEDA-UHFFFAOYSA-N	0	0	311.139	2.370	10	5		DEBERN
COC(=O)[C@@H](C)CN(C(=O)c1cccc([N+](=O)[O-])c1)C(C)C	ZINC000071640460	190996816	/nfs/dbraw/zinc/99/68/16/190996816.db2.gz	HHDVTEYKIPKHFJ-NSHDSACASA-N	0	0	308.334	2.255	10	5		DEBERN
CS(=O)(=O)[C@@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])c(F)c1	ZINC000148765402	186045847	/nfs/dbraw/zinc/04/58/47/186045847.db2.gz	WMOFXEFLNNGWQX-ZYHUDNBSSA-N	0	0	302.327	2.112	10	5		DEBERN
C[C@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])C1CCCC1	ZINC000172138983	198045449	/nfs/dbraw/zinc/04/54/49/198045449.db2.gz	NRKPKPQXQFFCPE-NSHDSACASA-N	0	0	320.345	2.481	10	5		DEBERN
O=c1c2ccc([N+](=O)[O-])cc2ncn1Cc1nc2ccccc2o1	ZINC000067767977	354777808	/nfs/dbraw/zinc/77/78/08/354777808.db2.gz	LIOZGDZTMUAXAY-UHFFFAOYSA-N	0	0	322.280	2.494	10	5		DEBERN
CC(=O)N(C)c1cccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c1	ZINC000073363272	354956702	/nfs/dbraw/zinc/95/67/02/354956702.db2.gz	BOIVEIHKFVNVGL-UHFFFAOYSA-N	0	0	302.290	2.158	10	5		DEBERN
O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[C@H]1O	ZINC000078498571	355264109	/nfs/dbraw/zinc/26/41/09/355264109.db2.gz	NBAUDMHIMTZRCG-QMTHXVAHSA-N	0	0	321.333	2.124	10	5		DEBERN
Cc1ccc(NCC(=O)N(C)CC(F)(F)F)c([N+](=O)[O-])c1	ZINC000080649013	355377247	/nfs/dbraw/zinc/37/72/47/355377247.db2.gz	MLTYEPZDYHUJPK-UHFFFAOYSA-N	0	0	305.256	2.336	10	5		DEBERN
O=C1[C@H](N2CCCSCC2)CCN1c1cccc([N+](=O)[O-])c1	ZINC000089985814	355551530	/nfs/dbraw/zinc/55/15/30/355551530.db2.gz	ZZFPPLDSVGTFCK-CQSZACIVSA-N	0	0	321.402	2.139	10	5		DEBERN
CC(C)(C)OC(=O)c1ccc(N2CCOCC2)cc1[N+](=O)[O-]	ZINC000116002671	355772124	/nfs/dbraw/zinc/77/21/24/355772124.db2.gz	BQYDPWUTROXROI-UHFFFAOYSA-N	0	0	308.334	2.387	10	5		DEBERN
COc1ccc(CSCC(=O)N[C@H]2C[C@@H]2C)cc1[N+](=O)[O-]	ZINC000171052949	355996209	/nfs/dbraw/zinc/99/62/09/355996209.db2.gz	MALXVUSVVUSBSM-ONGXEEELSA-N	0	0	310.375	2.361	10	5		DEBERN
COc1ccc(CSCC(=O)N[C@@H]2C[C@@H]2C)cc1[N+](=O)[O-]	ZINC000171052959	355996237	/nfs/dbraw/zinc/99/62/37/355996237.db2.gz	MALXVUSVVUSBSM-GXSJLCMTSA-N	0	0	310.375	2.361	10	5		DEBERN
C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)C1(S(C)(=O)=O)CC1	ZINC000588072572	357392041	/nfs/dbraw/zinc/39/20/41/357392041.db2.gz	LRLFYHUMRJKXQO-ZETCQYMHSA-N	0	0	319.770	2.021	10	5		DEBERN
O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC2(C1)CCCOC2	ZINC000588940012	357436096	/nfs/dbraw/zinc/43/60/96/357436096.db2.gz	QPBXJTGUZZQHMP-UHFFFAOYSA-N	0	0	309.297	2.378	10	5		DEBERN
Cc1cc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C)[nH]1	ZINC000618739224	363591551	/nfs/dbraw/zinc/59/15/51/363591551.db2.gz	STTVHJVVVFFDKF-UHFFFAOYSA-N	0	0	317.349	2.214	10	5		DEBERN
CCC1(NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCC1	ZINC000180082001	199114858	/nfs/dbraw/zinc/11/48/58/199114858.db2.gz	WBRPYIILRIWLSH-UHFFFAOYSA-N	0	0	312.391	2.389	10	5		DEBERN
CO[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC[C@H]1C	ZINC000187700654	200147000	/nfs/dbraw/zinc/14/70/00/200147000.db2.gz	VBQLRWRBHXERHJ-IAQYHMDHSA-N	0	0	306.362	2.329	10	5		DEBERN
O=[N+]([O-])c1cnc(N2CCC[C@@H](c3nncn3C3CC3)C2)s1	ZINC000190338020	200520848	/nfs/dbraw/zinc/52/08/48/200520848.db2.gz	HWPBZXJBARCGQL-SECBINFHSA-N	0	0	320.378	2.362	10	5		DEBERN
Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC1(C)OCCCO1	ZINC000192267815	200844592	/nfs/dbraw/zinc/84/45/92/200844592.db2.gz	IMZCSGCGGBULIB-UHFFFAOYSA-N	0	0	323.349	2.486	10	5		DEBERN
O=C(Cn1ncc2ccccc21)NCc1cccc([N+](=O)[O-])c1	ZINC000609327246	361301326	/nfs/dbraw/zinc/30/13/26/361301326.db2.gz	XLHPRHVDNRLFRK-UHFFFAOYSA-N	0	0	310.313	2.261	10	5		DEBERN
CCC[C@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000609497073	361315335	/nfs/dbraw/zinc/31/53/35/361315335.db2.gz	LPMMCVNQJFQNAL-WDEREUQCSA-N	0	0	323.349	2.097	10	5		DEBERN
C[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])c1ccncc1	ZINC000610525979	361417223	/nfs/dbraw/zinc/41/72/23/361417223.db2.gz	CAJNDZYFHZHKTJ-GFCCVEGCSA-N	0	0	315.329	2.289	10	5		DEBERN
CCOc1cccc(CCNC(=O)c2ccc([N+](=O)[O-])s2)n1	ZINC000610760394	361461643	/nfs/dbraw/zinc/46/16/43/361461643.db2.gz	FNGAEMIVXCTSMG-UHFFFAOYSA-N	0	0	321.358	2.423	10	5		DEBERN
O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CCC(F)(F)C2)c1	ZINC000611034050	361516529	/nfs/dbraw/zinc/51/65/29/361516529.db2.gz	LQODEJFJBPRLLN-SNVBAGLBSA-N	0	0	320.317	2.202	10	5		DEBERN
CCOc1ccc([N+](=O)[O-])cc1CN(C)Cc1noc(C)n1	ZINC000611669061	361655462	/nfs/dbraw/zinc/65/54/62/361655462.db2.gz	QBDHZCMRZKPXGT-UHFFFAOYSA-N	0	0	306.322	2.317	10	5		DEBERN
O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCOCC2(CC2)C1	ZINC000611815007	361688441	/nfs/dbraw/zinc/68/84/41/361688441.db2.gz	YSHSTUWXAPFMBR-UHFFFAOYSA-N	0	0	324.764	2.430	10	5		DEBERN
Cc1ccncc1N1CCN(c2ncc([N+](=O)[O-])cc2C)CC1	ZINC000619589362	363835629	/nfs/dbraw/zinc/83/56/29/363835629.db2.gz	FZNRMFXTYGGBCI-UHFFFAOYSA-N	0	0	313.361	2.328	10	5		DEBERN
CC[C@@H](C)CN(CC)S(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1	ZINC000093264185	193221628	/nfs/dbraw/zinc/22/16/28/193221628.db2.gz	JLNLFSHELSRJGI-SNVBAGLBSA-N	0	0	315.395	2.234	10	5		DEBERN
CC(C)(CNc1c(F)c(F)ccc1[N+](=O)[O-])S(C)(=O)=O	ZINC000093524088	193264249	/nfs/dbraw/zinc/26/42/49/193264249.db2.gz	BKTICARSKAJXHA-UHFFFAOYSA-N	0	0	308.306	2.108	10	5		DEBERN
COC(=O)[C@H](C)C[S@@](=O)Cc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000093633834	193277535	/nfs/dbraw/zinc/27/75/35/193277535.db2.gz	QVINNYLFGVONOR-SQFXPLBJSA-N	0	0	319.766	2.306	10	5		DEBERN
[NH3+][C@]1(C(=O)[O-])CCC[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)C1	ZINC000093775060	193304463	/nfs/dbraw/zinc/30/44/63/193304463.db2.gz	NQNNQZVZUSMSEC-NOZJJQNGSA-N	0	0	314.725	2.352	10	5		DEBERN
C[C@](N)(C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F)C(F)(F)F	ZINC000094233387	193352904	/nfs/dbraw/zinc/35/29/04/193352904.db2.gz	IWZYDWDHHKVXJU-VIFPVBQESA-N	0	0	313.182	2.091	10	5		DEBERN
CC[C@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1C	ZINC000094780349	193397621	/nfs/dbraw/zinc/39/76/21/193397621.db2.gz	KTUNEUMKSRLABZ-JTQLQIEISA-N	0	0	313.379	2.049	10	5		DEBERN
Cc1cccc([N+](=O)[O-])c1N1C[C@H](N2CCOCC2)[C@@H](C)C1	ZINC000267518352	206120539	/nfs/dbraw/zinc/12/05/39/206120539.db2.gz	FCUZOOIEHAREGI-ZFWWWQNUSA-N	0	0	305.378	2.060	10	5		DEBERN
COCCNc1ncnc(Nc2ccc(OC)cc2)c1[N+](=O)[O-]	ZINC000040649469	183113945	/nfs/dbraw/zinc/11/39/45/183113945.db2.gz	OFBBWFXXJDVYEL-UHFFFAOYSA-N	0	0	319.321	2.195	10	5		DEBERN
CCCCN(C)c1ncnc(-n2nc(C)cc2C)c1[N+](=O)[O-]	ZINC000040612152	183108561	/nfs/dbraw/zinc/10/85/61/183108561.db2.gz	UNXUKZHWKGSSHQ-UHFFFAOYSA-N	0	0	304.354	2.424	10	5		DEBERN
Nc1ccccc1OCC[S@](=O)c1ccc([N+](=O)[O-])cc1	ZINC000040970190	183152925	/nfs/dbraw/zinc/15/29/25/183152925.db2.gz	QKXLTQCUJQCGLF-OAQYLSRUSA-N	0	0	306.343	2.364	10	5		DEBERN
Cc1nn(Cc2ccc([N+](=O)[O-])cc2)c(N)c1Br	ZINC000043668458	183378278	/nfs/dbraw/zinc/37/82/78/183378278.db2.gz	SYPFVKAKVIOFCU-UHFFFAOYSA-N	0	0	311.139	2.493	10	5		DEBERN
C[C@@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1	ZINC000046973380	183576697	/nfs/dbraw/zinc/57/66/97/183576697.db2.gz	GKSPAVMMBZOHSP-RISCZKNCSA-N	0	0	307.350	2.304	10	5		DEBERN
CCCNc1ccc([N+](=O)[O-])c(NC2CCS(=O)CC2)n1	ZINC000159457673	197355277	/nfs/dbraw/zinc/35/52/77/197355277.db2.gz	RQTNMQBPPJGDFR-UHFFFAOYSA-N	0	0	312.395	2.135	10	5		DEBERN
Cc1cnn(C[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)CCO2)c1	ZINC000105891554	194158538	/nfs/dbraw/zinc/15/85/38/194158538.db2.gz	PCIBBKVNBJZPSB-MRXNPFEDSA-N	0	0	316.361	2.001	10	5		DEBERN
CN(C[C@@H]1CCCO1)C(=O)c1cc(F)c(F)cc1[N+](=O)[O-]	ZINC000050037852	183768616	/nfs/dbraw/zinc/76/86/16/183768616.db2.gz	HUTXTRQXSLUQMO-QMMMGPOBSA-N	0	0	300.261	2.124	10	5		DEBERN
COC(=O)CCN(C)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000050087496	183772269	/nfs/dbraw/zinc/77/22/69/183772269.db2.gz	NFPWMAMNIOSGPE-UHFFFAOYSA-N	0	0	317.139	2.357	10	5		DEBERN
CC(C)[NH2+][C@@H](COc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)[O-]	ZINC000050471815	183787648	/nfs/dbraw/zinc/78/76/48/183787648.db2.gz	UKXHYZIRYIRVSI-JTQLQIEISA-N	0	0	302.714	2.078	10	5		DEBERN
C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(N)cc1[N+](=O)[O-]	ZINC000050635604	183792939	/nfs/dbraw/zinc/79/29/39/183792939.db2.gz	OQFWVEJAZBGOQH-UWVGGRQHSA-N	0	0	313.379	2.129	10	5		DEBERN
CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC)C1CC1	ZINC000050651783	183794591	/nfs/dbraw/zinc/79/45/91/183794591.db2.gz	JWXPJWBTIUWQTE-UHFFFAOYSA-N	0	0	313.379	2.200	10	5		DEBERN
CNc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)CC(C)(C)C)c1	ZINC000050675554	183799420	/nfs/dbraw/zinc/79/94/20/183799420.db2.gz	KHCVZUIMODOEIX-UHFFFAOYSA-N	0	0	315.395	2.303	10	5		DEBERN
C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1NN)c1ccsc1	ZINC000061374306	184169544	/nfs/dbraw/zinc/16/95/44/184169544.db2.gz	UYVVUPPMCGIXHN-QMMMGPOBSA-N	0	0	306.347	2.433	10	5		DEBERN
O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@]2(CC=CCC2)C1	ZINC000114439689	194656165	/nfs/dbraw/zinc/65/61/65/194656165.db2.gz	HUPXOOQPKMQGSA-OAHLLOKOSA-N	0	0	304.350	2.140	10	5		DEBERN
CCOc1ccc(C(=O)NCc2cccc(=O)[nH]2)cc1[N+](=O)[O-]	ZINC000538597141	285041532	/nfs/dbraw/zinc/04/15/32/285041532.db2.gz	VPHXJFVCQFUSTE-UHFFFAOYSA-N	0	0	317.301	2.024	10	5		DEBERN
CNc1nc(OC)nc(Oc2ccc(Cl)cc2[N+](=O)[O-])n1	ZINC000158241462	197256386	/nfs/dbraw/zinc/25/63/86/197256386.db2.gz	JIGZOPGVKOXROY-UHFFFAOYSA-N	0	0	311.685	2.276	10	5		DEBERN
CCNc1sc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-]	ZINC000157545639	197196755	/nfs/dbraw/zinc/19/67/55/197196755.db2.gz	FJLCCXJKSQZOLP-UHFFFAOYSA-N	0	0	307.397	2.165	10	5		DEBERN
CCNc1sc(S(=O)(=O)N[C@H](C)CC)cc1[N+](=O)[O-]	ZINC000157547899	197196771	/nfs/dbraw/zinc/19/67/71/197196771.db2.gz	SSJHYMZWVGNCDM-SSDOTTSWSA-N	0	0	307.397	2.165	10	5		DEBERN
CCNc1nnc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)s1	ZINC000157354794	197181439	/nfs/dbraw/zinc/18/14/39/197181439.db2.gz	OVCKTVVOKMQRJC-UHFFFAOYSA-N	0	0	307.335	2.439	10	5		DEBERN
C[C@H]1CN(C)C[C@H](C)N1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1	ZINC000155238583	197035433	/nfs/dbraw/zinc/03/54/33/197035433.db2.gz	ZWYOCZYCFSMJKA-UWVGGRQHSA-N	0	0	311.769	2.413	10	5		DEBERN
C[C@H]1CN(C)C[C@H](C)N1C(=O)CSc1ccc([N+](=O)[O-])cc1	ZINC000155179680	197029558	/nfs/dbraw/zinc/02/95/58/197029558.db2.gz	DVAXQSYOVNOUBW-RYUDHWBXSA-N	0	0	323.418	2.238	10	5		DEBERN
COc1ccc([N+](=O)[O-])cc1NCc1nsc(N(C)C)n1	ZINC000154511903	196970484	/nfs/dbraw/zinc/97/04/84/196970484.db2.gz	MFWGVYVHBRADNS-UHFFFAOYSA-N	0	0	309.351	2.133	10	5		DEBERN
Cc1cc(NC(=O)N2CCN(C3CC3)CC2)ccc1[N+](=O)[O-]	ZINC000153623905	196894241	/nfs/dbraw/zinc/89/42/41/196894241.db2.gz	JVWWZJJLXGCYAN-UHFFFAOYSA-N	0	0	304.350	2.215	10	5		DEBERN
CCOc1ccc(C(=O)NCc2nnc(C)s2)cc1[N+](=O)[O-]	ZINC000543731014	285310619	/nfs/dbraw/zinc/31/06/19/285310619.db2.gz	KONDJPYWYLXBPD-UHFFFAOYSA-N	0	0	322.346	2.083	10	5		DEBERN
CCNC(=O)CCNc1cc(Br)ccc1[N+](=O)[O-]	ZINC000122040430	195393252	/nfs/dbraw/zinc/39/32/52/195393252.db2.gz	AJKCCABTGYWSDU-UHFFFAOYSA-N	0	0	316.155	2.295	10	5		DEBERN
CCC(CC)Oc1c(C)cc([N+](=O)[O-])cc1S(N)(=O)=O	ZINC000123210593	195556363	/nfs/dbraw/zinc/55/63/63/195556363.db2.gz	BDMRZFPPFDUVOT-UHFFFAOYSA-N	0	0	302.352	2.118	10	5		DEBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOC[C@H](C)C1	ZINC000374922406	533405662	/nfs/dbraw/zinc/40/56/62/533405662.db2.gz	ZPOBMZPXPXPNGP-AUWXEVLLSA-N	0	0	304.346	2.493	10	5		DEBERN
Cc1nn(C)c(C(=O)N2CCC[C@H](C(F)(F)F)C2)c1[N+](=O)[O-]	ZINC000194087479	132536503	/nfs/dbraw/zinc/53/65/03/132536503.db2.gz	SSOLHUAOYJHWCD-QMMMGPOBSA-N	0	0	320.271	2.051	10	5		DEBERN
Cc1noc(C2(C)CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1	ZINC000358128548	133122981	/nfs/dbraw/zinc/12/29/81/133122981.db2.gz	VAYNLJYSJIQVIU-UHFFFAOYSA-N	0	0	303.322	2.239	10	5		DEBERN
CC(=O)c1cc(N2CC(F)(F)C[C@H]2CO)ccc1[N+](=O)[O-]	ZINC000376386956	133292965	/nfs/dbraw/zinc/29/29/65/133292965.db2.gz	UATJQUBAGHYNNV-JTQLQIEISA-N	0	0	300.261	2.004	10	5		DEBERN
CCOc1ccc(C(=O)N2CCC[C@@](C)(O)CC2)cc1[N+](=O)[O-]	ZINC000377059544	133317222	/nfs/dbraw/zinc/31/72/22/133317222.db2.gz	AAIAKKOKWSDGGF-MRXNPFEDSA-N	0	0	322.361	2.371	10	5		DEBERN
O=C(Nc1cn(Cc2ccccc2)nn1)c1cccc([N+](=O)[O-])c1	ZINC000188248643	145009260	/nfs/dbraw/zinc/00/92/60/145009260.db2.gz	POAYMOXLAHTDEO-UHFFFAOYSA-N	0	0	323.312	2.487	10	5		DEBERN
CCOc1ccc(-c2nc(COCCOC)no2)cc1[N+](=O)[O-]	ZINC000357150611	147051851	/nfs/dbraw/zinc/05/18/51/147051851.db2.gz	ZNDLQMPMFFCHJL-UHFFFAOYSA-N	0	0	323.305	2.207	10	5		DEBERN
C[C@@H]1CCOCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1	ZINC000367663003	147779769	/nfs/dbraw/zinc/77/97/69/147779769.db2.gz	OZAVLXXIAWJQLV-LLVKDONJSA-N	0	0	319.361	2.420	10	5		DEBERN
CO[C@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[C@H]1C	ZINC000188036976	286070186	/nfs/dbraw/zinc/07/01/86/286070186.db2.gz	ORXGGQCAARLNFX-DOMZBBRYSA-N	0	0	321.377	2.280	10	5		DEBERN
Cc1cc([N+](=O)[O-])cn(CC(=O)c2ccc(F)cc2F)c1=O	ZINC000127235725	401725956	/nfs/dbraw/zinc/72/59/56/401725956.db2.gz	BAZBTFUAHUVCCZ-UHFFFAOYSA-N	0	0	308.240	2.226	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[S@@](=O)C(C)(C)C	ZINC000112301574	401737268	/nfs/dbraw/zinc/73/72/68/401737268.db2.gz	ZPNKHKAWMBRPPT-NRFANRHFSA-N	0	0	312.391	2.180	10	5		DEBERN
CCc1cc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])n[nH]1	ZINC000076428259	401795391	/nfs/dbraw/zinc/79/53/91/401795391.db2.gz	KKMNWTGOJYUKKG-UHFFFAOYSA-N	0	0	320.305	2.150	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](c2cnn(C)c2)C1	ZINC000116118604	401842642	/nfs/dbraw/zinc/84/26/42/401842642.db2.gz	KMIPLLCNQSAFTE-LBPRGKRZSA-N	0	0	314.345	2.266	10	5		DEBERN
CC1(C)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000077394939	401814001	/nfs/dbraw/zinc/81/40/01/401814001.db2.gz	GTUWJDKOAAMJKV-UHFFFAOYSA-N	0	0	302.327	2.297	10	5		DEBERN
CC(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1[N+](=O)[O-]	ZINC000032275816	401877757	/nfs/dbraw/zinc/87/77/57/401877757.db2.gz	XXSUNXIUBAZROD-UHFFFAOYSA-N	0	0	313.313	2.483	10	5		DEBERN
COC(=O)CCCCCNC(=O)c1csc([N+](=O)[O-])c1	ZINC000037445645	401913841	/nfs/dbraw/zinc/91/38/41/401913841.db2.gz	VTYMBIMMIGZEHA-UHFFFAOYSA-N	0	0	300.336	2.120	10	5		DEBERN
O=[N+]([O-])c1cnccc1NC[C@H]1CCN(CC(F)(F)F)C1	ZINC000037648714	401916286	/nfs/dbraw/zinc/91/62/86/401916286.db2.gz	BHXUVOYWSANWBI-SECBINFHSA-N	0	0	304.272	2.286	10	5		DEBERN
COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2cscn2)c1	ZINC000136299854	401965512	/nfs/dbraw/zinc/96/55/12/401965512.db2.gz	QHRFOZOJJWDZCQ-UHFFFAOYSA-N	0	0	307.331	2.474	10	5		DEBERN
CCc1ccc(OS(=O)(=O)[C@@H]2CCO[C@H]2C)c([N+](=O)[O-])c1	ZINC000135681028	401950481	/nfs/dbraw/zinc/95/04/81/401950481.db2.gz	QKLXOMKWFRVWAK-TVQRCGJNSA-N	0	0	315.347	2.043	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CCc1ccccn1	ZINC000053574972	402057652	/nfs/dbraw/zinc/05/76/52/402057652.db2.gz	XSCIPKOKZGTRSM-UHFFFAOYSA-N	0	0	300.318	2.008	10	5		DEBERN
O=C(NCc1ccnc(-n2ccnc2)c1)c1cccc([N+](=O)[O-])c1	ZINC000054628683	402069978	/nfs/dbraw/zinc/06/99/78/402069978.db2.gz	ARLGKJPQXNMOGD-UHFFFAOYSA-N	0	0	323.312	2.106	10	5		DEBERN
CC[C@H](C)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000152334851	402090236	/nfs/dbraw/zinc/09/02/36/402090236.db2.gz	KHFWORMVDUHEJC-ZUZCIYMTSA-N	0	0	305.334	2.408	10	5		DEBERN
COCCc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C)n(C)n1	ZINC000123070328	402108574	/nfs/dbraw/zinc/10/85/74/402108574.db2.gz	PPGPYBBPCDDBIH-UHFFFAOYSA-N	0	0	318.333	2.078	10	5		DEBERN
Cc1nn(C)c(NCc2nc3c(cccc3C)[nH]2)c1[N+](=O)[O-]	ZINC000123211850	402116607	/nfs/dbraw/zinc/11/66/07/402116607.db2.gz	YSRHJWGRAUAHBB-UHFFFAOYSA-N	0	0	300.322	2.434	10	5		DEBERN
Cc1c(CN2c3ccccc3C[C@H]2C(N)=O)cccc1[N+](=O)[O-]	ZINC000064344513	402119210	/nfs/dbraw/zinc/11/92/10/402119210.db2.gz	PIAPEXGPPUEJPR-INIZCTEOSA-N	0	0	311.341	2.320	10	5		DEBERN
Cc1noc(CCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)n1	ZINC000103376434	402185910	/nfs/dbraw/zinc/18/59/10/402185910.db2.gz	AFVFHIFFVSLXHG-SECBINFHSA-N	0	0	316.317	2.197	10	5		DEBERN
CCN(CCS(C)(=O)=O)[C@H](C)c1cccc([N+](=O)[O-])c1	ZINC000154244439	402201145	/nfs/dbraw/zinc/20/11/45/402201145.db2.gz	OYWNUPALYVWRTM-LLVKDONJSA-N	0	0	300.380	2.022	10	5		DEBERN
O=C(NC[C@H]1CCC[C@H](O)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000124017424	402159649	/nfs/dbraw/zinc/15/96/49/402159649.db2.gz	KLCHLYAZVWQFRL-JQWIXIFHSA-N	0	0	317.345	2.357	10	5		DEBERN
C[C@@]1(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCS1	ZINC000126224111	402270212	/nfs/dbraw/zinc/27/02/12/402270212.db2.gz	NYWMOXBIAUPMLY-JTQLQIEISA-N	0	0	322.433	2.220	10	5		DEBERN
CSc1ccc([N+](=O)[O-])c(C(=O)NCC2(CCO)CC2)c1	ZINC000157673622	402297357	/nfs/dbraw/zinc/29/73/57/402297357.db2.gz	ULOAJJABNBSNCS-UHFFFAOYSA-N	0	0	310.375	2.209	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H](CO)CC(C)C	ZINC000185313379	402342934	/nfs/dbraw/zinc/34/29/34/402342934.db2.gz	QPJQUWKYQRHQSU-AWEZNQCLSA-N	0	0	323.393	2.181	10	5		DEBERN
COc1cccc(N2CC[C@](O)(C(F)(F)F)C2)c1[N+](=O)[O-]	ZINC000185465276	402354548	/nfs/dbraw/zinc/35/45/48/402354548.db2.gz	REJVYZHVOQLOKS-LLVKDONJSA-N	0	0	306.240	2.107	10	5		DEBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1	ZINC000163094714	402441307	/nfs/dbraw/zinc/44/13/07/402441307.db2.gz	YHDFNCHOHIYZJY-GHMZBOCLSA-N	0	0	320.349	2.069	10	5		DEBERN
Cc1c(NC(=O)N[C@H]2CCC[C@H](C(N)=O)C2)cccc1[N+](=O)[O-]	ZINC000163117182	402441546	/nfs/dbraw/zinc/44/15/46/402441546.db2.gz	YBLRRNTWCNWOOY-QWRGUYRKSA-N	0	0	320.349	2.069	10	5		DEBERN
Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](C(=O)OC(C)(C)C)C2)n1	ZINC000178250665	402476413	/nfs/dbraw/zinc/47/64/13/402476413.db2.gz	QZZGTSFGXRTRRH-LLVKDONJSA-N	0	0	307.350	2.466	10	5		DEBERN
CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1	ZINC000189572882	402546362	/nfs/dbraw/zinc/54/63/62/402546362.db2.gz	KIMMBKZWUJPZOQ-ZDUSSCGKSA-N	0	0	319.361	2.069	10	5		DEBERN
COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])s1	ZINC000189904066	402566415	/nfs/dbraw/zinc/56/64/15/402566415.db2.gz	ZHBTXVKPQOTMSA-LNLATYFQSA-N	0	0	324.358	2.070	10	5		DEBERN
CO[C@@H]1CC[C@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1	ZINC000246190300	402517380	/nfs/dbraw/zinc/51/73/80/402517380.db2.gz	DJSQBTOORRTRAH-QLFBSQMISA-N	0	0	320.345	2.003	10	5		DEBERN
O=[N+]([O-])c1cnc(N2C[C@@H](c3ccsc3)[C@H](CO)C2)s1	ZINC000249362577	402626732	/nfs/dbraw/zinc/62/67/32/402626732.db2.gz	VBSNCJYSBHRSCD-UWVGGRQHSA-N	0	0	311.388	2.325	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(O)C1CCCCC1	ZINC000190549548	402609077	/nfs/dbraw/zinc/60/90/77/402609077.db2.gz	LJZQDSZPQGBLQY-MRXNPFEDSA-N	0	0	321.377	2.359	10	5		DEBERN
CC[C@@H](C)CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000171772340	402621105	/nfs/dbraw/zinc/62/11/05/402621105.db2.gz	RCXQXEUJVRZAOK-SNVBAGLBSA-N	0	0	316.379	2.270	10	5		DEBERN
CCc1n[nH]c(C(=O)N(C)CCc2ccc(F)cc2)c1[N+](=O)[O-]	ZINC000171804250	402623531	/nfs/dbraw/zinc/62/35/31/402623531.db2.gz	CGSRQEKTVLIXID-UHFFFAOYSA-N	0	0	320.324	2.334	10	5		DEBERN
CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2csc([N+](=O)[O-])c2)C1	ZINC000190104927	402576264	/nfs/dbraw/zinc/57/62/64/402576264.db2.gz	HAXCNEUORURRRW-GHMZBOCLSA-N	0	0	324.362	2.310	10	5		DEBERN
COC[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccc(C)o1	ZINC000173704762	402709159	/nfs/dbraw/zinc/70/91/59/402709159.db2.gz	WBZCAIABKXCCPO-CYBMUJFWSA-N	0	0	319.317	2.317	10	5		DEBERN
CCn1cc([C@H]2CN(Cc3ccccc3[N+](=O)[O-])CCO2)cn1	ZINC000191699946	402687260	/nfs/dbraw/zinc/68/72/60/402687260.db2.gz	XFXLCXQAMULQJE-MRXNPFEDSA-N	0	0	316.361	2.385	10	5		DEBERN
Cn1nccc1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1	ZINC000175392072	402802733	/nfs/dbraw/zinc/80/27/33/402802733.db2.gz	HNAITAALBKESEU-UHFFFAOYSA-N	0	0	317.349	2.063	10	5		DEBERN
Cc1sc(C(=O)N2CCN3CCCC[C@@H]3C2)cc1[N+](=O)[O-]	ZINC000195062754	402829758	/nfs/dbraw/zinc/82/97/58/402829758.db2.gz	PIMIFNMQQXXHMS-LLVKDONJSA-N	0	0	309.391	2.275	10	5		DEBERN
Cn1cnc([N+](=O)[O-])c1NCc1ccn(Cc2ccccc2)n1	ZINC000343165373	403483848	/nfs/dbraw/zinc/48/38/48/403483848.db2.gz	ZGEHOIXFHYWGGN-UHFFFAOYSA-N	0	0	312.333	2.185	10	5		DEBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](O)C12CCCC2	ZINC000293861490	403584660	/nfs/dbraw/zinc/58/46/60/403584660.db2.gz	GNZGROIADPHMPL-AWEZNQCLSA-N	0	0	304.346	2.423	10	5		DEBERN
COC(=O)c1cc(N2CCC[C@@H]([C@@H](C)O)C2)cc(C)c1[N+](=O)[O-]	ZINC000301779473	403677967	/nfs/dbraw/zinc/67/79/67/403677967.db2.gz	MUEPLIDAXVOOQN-VXGBXAGGSA-N	0	0	322.361	2.287	10	5		DEBERN
CC(=O)c1cc(NCC(=O)NCc2ccco2)ccc1[N+](=O)[O-]	ZINC000341340176	403918930	/nfs/dbraw/zinc/91/89/30/403918930.db2.gz	ITTJFBLCOUKBQN-UHFFFAOYSA-N	0	0	317.301	2.119	10	5		DEBERN
O=[N+]([O-])c1cc(Br)cnc1N1CC(n2cccn2)C1	ZINC000364437216	404393585	/nfs/dbraw/zinc/39/35/85/404393585.db2.gz	JBOIZJXGZXQBCF-UHFFFAOYSA-N	0	0	324.138	2.010	10	5		DEBERN
Cc1ccncc1N1CCN(c2ncc([N+](=O)[O-])s2)CC1	ZINC000330033257	404532400	/nfs/dbraw/zinc/53/24/00/404532400.db2.gz	YIVMNHWKBIDPEH-UHFFFAOYSA-N	0	0	305.363	2.081	10	5		DEBERN
O=[N+]([O-])c1cnc2ccccc2c1N1CCO[C@]2(CCOC2)C1	ZINC000291855810	404553119	/nfs/dbraw/zinc/55/31/19/404553119.db2.gz	HPKHWRCOZBCSQB-MRXNPFEDSA-N	0	0	315.329	2.139	10	5		DEBERN
Cn1c(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)ccc1[N+](=O)[O-]	ZINC000407961350	405076605	/nfs/dbraw/zinc/07/66/05/405076605.db2.gz	DKEAGIMOSBVULT-OUCADQQQSA-N	0	0	321.377	2.089	10	5		DEBERN
C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1	ZINC000408030137	405093582	/nfs/dbraw/zinc/09/35/82/405093582.db2.gz	KEDURGGMJKRFKM-XPKDYRNWSA-N	0	0	321.377	2.469	10	5		DEBERN
CC1(C)CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[C@H]1C(F)(F)F	ZINC000408081641	405107650	/nfs/dbraw/zinc/10/76/50/405107650.db2.gz	NEMOCQBRMORREP-MRVPVSSYSA-N	0	0	320.271	2.369	10	5		DEBERN
C[C@H]1CCOCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000367654802	405115402	/nfs/dbraw/zinc/11/54/02/405115402.db2.gz	BXCNKJWQWFBXBL-NSHDSACASA-N	0	0	308.334	2.072	10	5		DEBERN
CCc1nn(C)c(N2CC[C@H](C(C)(C)C)[C@H](O)C2)c1[N+](=O)[O-]	ZINC000408195899	405135182	/nfs/dbraw/zinc/13/51/82/405135182.db2.gz	WIZLXEMLYZVXGW-CMPLNLGQSA-N	0	0	310.398	2.124	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@]2(CCCOC2)C1	ZINC000408298051	405165448	/nfs/dbraw/zinc/16/54/48/405165448.db2.gz	MWCVUCHTYRTIGV-MRXNPFEDSA-N	0	0	319.361	2.331	10	5		DEBERN
CCOc1ccc(C(=O)N(C)CC(C)(C)CO)cc1[N+](=O)[O-]	ZINC000452961154	405265957	/nfs/dbraw/zinc/26/59/57/405265957.db2.gz	LWFAXSUTYSLQDR-UHFFFAOYSA-N	0	0	310.350	2.084	10	5		DEBERN
COc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1O	ZINC000438093207	405230685	/nfs/dbraw/zinc/23/06/85/405230685.db2.gz	BMQLVIZNTOJUFX-UHFFFAOYSA-N	0	0	302.286	2.490	10	5		DEBERN
CCOc1ccc(C(=O)N2CC[C@H](O)C(C)(C)C2)cc1[N+](=O)[O-]	ZINC000438524473	405249509	/nfs/dbraw/zinc/24/95/09/405249509.db2.gz	UBFIQOXHUCDBJI-AWEZNQCLSA-N	0	0	322.361	2.227	10	5		DEBERN
CCOc1ccc(C(=O)N[C@H](C)c2nnc(C)o2)cc1[N+](=O)[O-]	ZINC000532904898	406108660	/nfs/dbraw/zinc/10/86/60/406108660.db2.gz	KPUULMFBHCYLON-MRVPVSSYSA-N	0	0	320.305	2.176	10	5		DEBERN
C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1cc([N+](=O)[O-])cn1C	ZINC000535640071	406225657	/nfs/dbraw/zinc/22/56/57/406225657.db2.gz	DBEREVZIRHWUEW-LLVKDONJSA-N	0	0	317.345	2.342	10	5		DEBERN
Cc1cc(C[C@@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH]n1	ZINC000488970793	406365687	/nfs/dbraw/zinc/36/56/87/406365687.db2.gz	RVNUDWASXZEDCP-MRVPVSSYSA-N	0	0	306.297	2.126	10	5		DEBERN
NC(=O)c1c(Br)ccc(Br)c1[N+](=O)[O-]	ZINC000575693591	406818967	/nfs/dbraw/zinc/81/89/67/406818967.db2.gz	AMSLJYHFZNHDJE-UHFFFAOYSA-N	0	0	323.928	2.219	10	5		DEBERN
COC(=O)Cc1cc([N+](=O)[O-])c(Br)cc1OC	ZINC000575712710	406821980	/nfs/dbraw/zinc/82/19/80/406821980.db2.gz	OEUSMQYACBRRPH-UHFFFAOYSA-N	0	0	304.096	2.081	10	5		DEBERN
COC(=O)Cc1cc(Br)cc(OC)c1[N+](=O)[O-]	ZINC000575711924	406822014	/nfs/dbraw/zinc/82/20/14/406822014.db2.gz	AHYYWNBHNFCVCS-UHFFFAOYSA-N	0	0	304.096	2.081	10	5		DEBERN
CCNc1c(C(=O)Nc2nc(C)ns2)cccc1[N+](=O)[O-]	ZINC000128714153	195985305	/nfs/dbraw/zinc/98/53/05/195985305.db2.gz	CIYORAZTJLLDBP-UHFFFAOYSA-N	0	0	307.335	2.439	10	5		DEBERN
N[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)c1cccs1	ZINC000130557092	196090440	/nfs/dbraw/zinc/09/04/40/196090440.db2.gz	CHZNLHOOWNRYQQ-CYBMUJFWSA-N	0	0	305.359	2.015	10	5		DEBERN
CS[C@@H](C)CCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	ZINC000130893028	196119495	/nfs/dbraw/zinc/11/94/95/196119495.db2.gz	JNIGKTDWMBSPDX-QMMMGPOBSA-N	0	0	311.363	2.479	10	5		DEBERN
CC[C@@H](C)CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131161236	196145272	/nfs/dbraw/zinc/14/52/72/196145272.db2.gz	HEILFPMMUFEGMP-SECBINFHSA-N	0	0	304.343	2.401	10	5		DEBERN
CNc1cc(S(=O)(=O)N2CCCCCC2)ccc1[N+](=O)[O-]	ZINC000131752129	196196063	/nfs/dbraw/zinc/19/60/63/196196063.db2.gz	ZSYDASMKPYTUAZ-UHFFFAOYSA-N	0	0	313.379	2.201	10	5		DEBERN
CCCNc1cc(S(=O)(=O)N[C@@H]2C[C@H]2C)ccc1[N+](=O)[O-]	ZINC000132417897	196254658	/nfs/dbraw/zinc/25/46/58/196254658.db2.gz	HNKSYWFNQRSHAP-MWLCHTKSSA-N	0	0	313.379	2.103	10	5		DEBERN
C[C@@H](CO)[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000133767684	196335428	/nfs/dbraw/zinc/33/54/28/196335428.db2.gz	OTWICKPZQIOIKH-JGVFFNPUSA-N	0	0	301.730	2.387	10	5		DEBERN
O=C(N[C@H](c1ccccc1)c1ccncc1)c1[nH]ncc1[N+](=O)[O-]	ZINC000134240474	196372370	/nfs/dbraw/zinc/37/23/70/196372370.db2.gz	WYRCYJCQCATUPO-CQSZACIVSA-N	0	0	323.312	2.232	10	5		DEBERN
COc1ccc(F)cc1CNC(=O)c1c(N)cccc1[N+](=O)[O-]	ZINC000188676181	225028881	/nfs/dbraw/zinc/02/88/81/225028881.db2.gz	ISAIXUOWMFRHTJ-UHFFFAOYSA-N	0	0	319.292	2.255	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)c2ccncc2)n1	ZINC000191579407	225113164	/nfs/dbraw/zinc/11/31/64/225113164.db2.gz	KTGSUCPVSWQVOC-JTQLQIEISA-N	0	0	303.322	2.039	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@](C)(CC)c2nccs2)n1	ZINC000191628687	225114937	/nfs/dbraw/zinc/11/49/37/225114937.db2.gz	WKBQALKMCFGKDO-CYBMUJFWSA-N	0	0	323.378	2.323	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCc3ccc(F)cc3C2)n1	ZINC000191679935	225115347	/nfs/dbraw/zinc/11/53/47/225115347.db2.gz	QYLVMPJVUWRTMD-UHFFFAOYSA-N	0	0	318.308	2.149	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCc3cc(F)ccc3C2)n1	ZINC000191696559	225116214	/nfs/dbraw/zinc/11/62/14/225116214.db2.gz	WCJDLUSZMUQBLV-UHFFFAOYSA-N	0	0	318.308	2.149	10	5		DEBERN
Cc1cc([N+](=O)[O-])cnc1N[C@H](C)c1nnc2n1CCCC2	ZINC000301964896	230007959	/nfs/dbraw/zinc/00/79/59/230007959.db2.gz	UEIKIQSDYXBTDW-SNVBAGLBSA-N	0	0	302.338	2.399	10	5		DEBERN
CC(C)c1ccc(CN2CCN3CCOC[C@@H]3C2)cc1[N+](=O)[O-]	ZINC000375239340	276052854	/nfs/dbraw/zinc/05/28/54/276052854.db2.gz	UFAXAUISIHAJMU-HNNXBMFYSA-N	0	0	319.405	2.235	10	5		DEBERN
CC(=O)c1ccc(N2CCCC[C@H]2CC(N)=O)c([N+](=O)[O-])c1	ZINC000301854651	278246959	/nfs/dbraw/zinc/24/69/59/278246959.db2.gz	HMQGBULFRIEAHL-LBPRGKRZSA-N	0	0	305.334	2.032	10	5		DEBERN
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(CC(F)F)C1CC1	ZINC000106896408	302042346	/nfs/dbraw/zinc/04/23/46/302042346.db2.gz	ARFOECXIMMTFGX-UHFFFAOYSA-N	0	0	320.317	2.321	10	5		DEBERN
O=C(Cc1cccc([N+](=O)[O-])c1)NCc1ccc(CO)c(F)c1	ZINC000175646373	325744666	/nfs/dbraw/zinc/74/46/66/325744666.db2.gz	XRWNFNHBIYCHHW-UHFFFAOYSA-N	0	0	318.304	2.085	10	5		DEBERN
Cc1ccc([C@H](C)NC(=O)CCCCC(N)=O)cc1[N+](=O)[O-]	ZINC000188908260	333058328	/nfs/dbraw/zinc/05/83/28/333058328.db2.gz	HCSANLFWSYMQAZ-NSHDSACASA-N	0	0	307.350	2.126	10	5		DEBERN
COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@@H]2CCCC[C@H]2O)c1	ZINC000302163776	534244908	/nfs/dbraw/zinc/24/49/08/534244908.db2.gz	KKDWNVRSFJPXBE-SWLSCSKDSA-N	0	0	322.361	2.369	10	5		DEBERN
COC(=O)C1(C(=O)O[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1	ZINC000133338027	522819207	/nfs/dbraw/zinc/81/92/07/522819207.db2.gz	PCKJOUAPFROSKB-JTQLQIEISA-N	0	0	307.302	2.461	10	5		DEBERN
CC(=O)c1ccc([N+](=O)[O-])cc1N1CCc2cc[nH]c(=O)c2C1	ZINC000377162845	534880152	/nfs/dbraw/zinc/88/01/52/534880152.db2.gz	VVQIMAKLELHECY-UHFFFAOYSA-N	0	0	313.313	2.461	10	5		DEBERN
CC(=O)c1c(C)cccc1NC(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000446311112	527172449	/nfs/dbraw/zinc/17/24/49/527172449.db2.gz	IYZCZRZRYYPUKS-UHFFFAOYSA-N	0	0	302.290	2.092	10	5		DEBERN
CCOc1cccc(CNC(=O)c2nn(CC)cc2[N+](=O)[O-])c1	ZINC000191540048	528653224	/nfs/dbraw/zinc/65/32/24/528653224.db2.gz	XIPKCZNBGGONGP-UHFFFAOYSA-N	0	0	318.333	2.140	10	5		DEBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3nccnc3c2)n1	ZINC000191548068	529154634	/nfs/dbraw/zinc/15/46/34/529154634.db2.gz	ISXFNLAXYMAPFR-UHFFFAOYSA-N	0	0	312.289	2.007	10	5		DEBERN
CC[C@@H](NC(=O)CCCCC(N)=O)c1cccc([N+](=O)[O-])c1	ZINC000187616123	535785103	/nfs/dbraw/zinc/78/51/03/535785103.db2.gz	PXYDVQVDLFBXIW-CYBMUJFWSA-N	0	0	307.350	2.208	10	5		DEBERN
CC[C@H](C)[C@H](C)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000362611007	535936149	/nfs/dbraw/zinc/93/61/49/535936149.db2.gz	PNQYJPNZYGPXKE-QWRGUYRKSA-N	0	0	322.361	2.459	10	5		DEBERN
CC(=O)c1cc(N2CCO[C@H](C(F)F)C2)ccc1[N+](=O)[O-]	ZINC000804693821	623160207	/nfs/dbraw/zinc/16/02/07/623160207.db2.gz	IYYAGWDHBYUCBL-LBPRGKRZSA-N	0	0	300.261	2.268	10	5		DEBERN
CN1C[C@@H](Nc2cc(Cl)c(F)cc2[N+](=O)[O-])CCC1=O	ZINC000234350140	624521286	/nfs/dbraw/zinc/52/12/86/624521286.db2.gz	NKDBBAKDULENLC-ZETCQYMHSA-N	0	0	301.705	2.420	10	5		DEBERN
O=C1OC(c2cccnc2)=N/C1=C\c1csc([N+](=O)[O-])c1	ZINC000255577107	625198804	/nfs/dbraw/zinc/19/88/04/625198804.db2.gz	MACMUNGLLFVOJY-WMZJFQQLSA-N	0	0	301.283	2.396	10	5		DEBERN
COc1cc(NCC[C@@H](C)[S@](C)=O)c([N+](=O)[O-])cc1OC	ZINC000167390665	625886942	/nfs/dbraw/zinc/88/69/42/625886942.db2.gz	XQYTUFPQTUAQBO-AOUSDQRYSA-N	0	0	316.379	2.181	10	5		DEBERN
CN(Cc1cnccn1)C(=S)Nc1ccc([N+](=O)[O-])cc1	ZINC000735422868	633508280	/nfs/dbraw/zinc/50/82/80/633508280.db2.gz	UXPOZFKORZJTKS-UHFFFAOYSA-N	0	0	303.347	2.214	10	5		DEBERN
Cn1nccc1CCC(=O)OCCc1ccccc1[N+](=O)[O-]	ZINC000126945660	637753244	/nfs/dbraw/zinc/75/32/44/637753244.db2.gz	IUKLLVQAHYVLCJ-UHFFFAOYSA-N	0	0	303.318	2.047	10	5		DEBERN
Cc1c(CC(=O)O[C@@H](C(=O)N(C)C)C(C)C)cccc1[N+](=O)[O-]	ZINC000748470933	638560372	/nfs/dbraw/zinc/56/03/72/638560372.db2.gz	KKJMFQOMAJNBGM-OAHLLOKOSA-N	0	0	322.361	2.102	10	5		DEBERN
C/C(=C\C(=O)NCC(=O)OCC1CC1)c1ccc([N+](=O)[O-])cc1	ZINC000751874083	639130213	/nfs/dbraw/zinc/13/02/13/639130213.db2.gz	CRODKZMERALKPI-DHZHZOJOSA-N	0	0	318.329	2.068	10	5		DEBERN
C/C(=C\C(=O)O[C@@H](C)C(=O)NC(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000752355706	639174467	/nfs/dbraw/zinc/17/44/67/639174467.db2.gz	QZUUOUUQIJEZIL-ZKQHCESOSA-N	0	0	320.345	2.454	10	5		DEBERN
CCOC(=O)[C@@H](CC1CC1)NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000752382552	639177221	/nfs/dbraw/zinc/17/72/21/639177221.db2.gz	FDKCZVANXNPAJH-CYBMUJFWSA-N	0	0	306.318	2.056	10	5		DEBERN
CC(=CC(=O)NCc1[nH]cnc1C)c1ccc([N+](=O)[O-])cc1	ZINC000752500880	639190789	/nfs/dbraw/zinc/19/07/89/639190789.db2.gz	LIHWUUPQBCUSEN-YFHOEESVSA-N	0	0	300.318	2.346	10	5		DEBERN
C/C(=C\C(=O)NC[C@@H](O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1	ZINC000752518946	639193038	/nfs/dbraw/zinc/19/30/38/639193038.db2.gz	VWTXHGKFEQGTNT-LXSSAFMLSA-N	0	0	318.251	2.038	10	5		DEBERN
C/C(=C/C(=O)N(C)Cc1ncon1)c1ccc([N+](=O)[O-])cc1	ZINC000752757263	639216296	/nfs/dbraw/zinc/21/62/96/639216296.db2.gz	VDMHVUCISYLHLA-YFHOEESVSA-N	0	0	302.290	2.040	10	5		DEBERN
C/C(=C/C(=O)O[C@H](C)c1nncn1C)c1ccc([N+](=O)[O-])cc1	ZINC000805529083	641984952	/nfs/dbraw/zinc/98/49/52/641984952.db2.gz	SJGSYIIADNYTHU-HIJJYWJESA-N	0	0	316.317	2.431	10	5		DEBERN
Cc1nc2c(nccc2C(=O)N2CCc3ccc([N+](=O)[O-])cc32)[nH]1	ZINC000436081675	643040674	/nfs/dbraw/zinc/04/06/74/643040674.db2.gz	QIZIFMQXFBLHCA-UHFFFAOYSA-N	0	0	323.312	2.377	10	5		DEBERN
C/C(=C\C(=O)O[C@@H]1CC(=O)N(C)[C@H]1C)c1ccc([N+](=O)[O-])cc1	ZINC000806070013	644506196	/nfs/dbraw/zinc/50/61/96/644506196.db2.gz	GOKYJSFEGYEDBX-KDGJFNHZSA-N	0	0	318.329	2.161	10	5		DEBERN
Cc1cc(NC(=O)N2CCO[C@H](C(F)F)C2)ccc1[N+](=O)[O-]	ZINC000801644653	645425968	/nfs/dbraw/zinc/42/59/68/645425968.db2.gz	FUERVMVLKLZHSS-NSHDSACASA-N	0	0	315.276	2.401	10	5		DEBERN
COC(=O)/C(C)=C/COC(=O)c1cc([N+](=O)[O-])cc(C)c1F	ZINC000803461970	645657182	/nfs/dbraw/zinc/65/71/82/645657182.db2.gz	CHQUOQLHWNMHCA-XBXARRHUSA-N	0	0	311.265	2.318	10	5		DEBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000055797800	646453991	/nfs/dbraw/zinc/45/39/91/646453991.db2.gz	KUJVTZHUJKDNJP-UHFFFAOYSA-N	0	0	316.273	2.136	10	5		DEBERN
Cc1cnc(CCN(C)Cn2nc(C)c([N+](=O)[O-])c2C)s1	ZINC000165220553	646490849	/nfs/dbraw/zinc/49/08/49/646490849.db2.gz	CPKPLOVLMHNJCG-UHFFFAOYSA-N	0	0	309.395	2.305	10	5		DEBERN
CC[C@H](Cc1ccccc1)OC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000174546771	646815095	/nfs/dbraw/zinc/81/50/95/646815095.db2.gz	PKIIOCZAKNJXBH-CQSZACIVSA-N	0	0	303.318	2.356	10	5		DEBERN
COc1cccc([C@@H](C)OC(=O)CCn2cc([N+](=O)[O-])cn2)c1	ZINC000174850882	648018652	/nfs/dbraw/zinc/01/86/52/648018652.db2.gz	KUMWOISZZFHPHI-LLVKDONJSA-N	0	0	319.317	2.494	10	5		DEBERN
COCCOCCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000040419095	683888607	/nfs/dbraw/zinc/88/86/07/683888607.db2.gz	OKHWKZBUKALFHQ-UHFFFAOYSA-N	0	0	316.741	2.031	10	5		DEBERN
COc1ccccc1[C@@H](O)CNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000041453758	683889806	/nfs/dbraw/zinc/88/98/06/683889806.db2.gz	BLOOSLJHLCMURR-AWEZNQCLSA-N	0	0	316.313	2.067	10	5		DEBERN
C[C@H](Cn1cccn1)OC(=O)CCc1cccc([N+](=O)[O-])c1	ZINC000088818415	684019189	/nfs/dbraw/zinc/01/91/89/684019189.db2.gz	MBOWFGRGISIDLT-GFCCVEGCSA-N	0	0	303.318	2.356	10	5		DEBERN
CO[C@]1(CNC(=O)c2cccc([N+](=O)[O-])c2C)CCSC1	ZINC000096364341	684053446	/nfs/dbraw/zinc/05/34/46/684053446.db2.gz	HXBPRFBWKJXOIA-AWEZNQCLSA-N	0	0	310.375	2.155	10	5		DEBERN
CC(=O)N[C@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1	ZINC000122355298	684114605	/nfs/dbraw/zinc/11/46/05/684114605.db2.gz	XCIUJQRNLQZRDU-LBPRGKRZSA-N	0	0	311.769	2.349	10	5		DEBERN
CCCn1cnnc1COC(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000123990446	684130135	/nfs/dbraw/zinc/13/01/35/684130135.db2.gz	MRRDOBUQJCYYLC-UHFFFAOYSA-N	0	0	304.306	2.262	10	5		DEBERN
CCC(=O)N1CC[C@H](C(=O)Oc2ccc(CC)cc2[N+](=O)[O-])C1	ZINC000124269512	684133175	/nfs/dbraw/zinc/13/31/75/684133175.db2.gz	QUFOBJWKJZCBLA-LBPRGKRZSA-N	0	0	320.345	2.321	10	5		DEBERN
CC[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000132892494	684214618	/nfs/dbraw/zinc/21/46/18/684214618.db2.gz	YQFWLQJRQWPTQP-JTQLQIEISA-N	0	0	319.277	2.107	10	5		DEBERN