smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cc(C(F)(F)F)cnc1NCc1cc(F)cc(F)c1	ZINC000039956814	213246364	/nfs/dbraw/zinc/24/63/64/213246364.db2.gz	BFLNQMMNDZMEER-UHFFFAOYSA-N	0	0	333.216	3.899	40	5		EHBBRN
Cc1cccc(O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1C	ZINC000020111091	202032828	/nfs/dbraw/zinc/03/28/28/202032828.db2.gz	ARNZSBIAMKDQMD-AWEZNQCLSA-N	0	0	328.368	3.926	40	5		EHBBRN
Cc1ccc([C@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C)c1	ZINC000022522659	202086877	/nfs/dbraw/zinc/08/68/77/202086877.db2.gz	MOQUZUWQKXOZBM-AWEZNQCLSA-N	0	0	348.424	3.560	40	5		EHBBRN
Nc1cc(-c2nc3cc([N+](=O)[O-])ccc3o2)ccc1Br	ZINC000216926282	241225944	/nfs/dbraw/zinc/22/59/44/241225944.db2.gz	UPMAIEHFNXCWMC-UHFFFAOYSA-N	0	0	334.129	3.748	40	5		EHBBRN
Cc1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1[N+](=O)[O-]	ZINC000005740163	201661779	/nfs/dbraw/zinc/66/17/79/201661779.db2.gz	VIJPNVJFQFUKTB-UHFFFAOYSA-N	0	0	331.328	3.904	40	5		EHBBRN
C[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Br)C[C@H](C)O1	ZINC000226316312	205125603	/nfs/dbraw/zinc/12/56/03/205125603.db2.gz	PWKZOVJIAVCMAK-OCAPTIKFSA-N	0	0	349.612	3.624	40	5		EHBBRN
Cc1ccc2[nH]c(SC(=O)Cc3ccc([N+](=O)[O-])cc3)nc2c1	ZINC000408620491	257893874	/nfs/dbraw/zinc/89/38/74/257893874.db2.gz	JPCDPWQFRSTNSR-UHFFFAOYSA-N	0	0	327.365	3.641	40	5		EHBBRN
COc1cc([N+](=O)[O-])cc(Br)c1N1CCCC[C@@H]1C	ZINC000045886403	135603568	/nfs/dbraw/zinc/60/35/68/135603568.db2.gz	LWCKFVRWZNFBGU-VIFPVBQESA-N	0	0	329.194	3.745	40	5		EHBBRN
Cc1ccc(C)c([C@H](C)NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000013631843	563930826	/nfs/dbraw/zinc/93/08/26/563930826.db2.gz	DNAZBQUXANOOHF-AWEZNQCLSA-N	0	0	348.424	3.560	40	5		EHBBRN
O=C1C[C@H](c2ccc(Cl)cc2)C=C(c2ccc([N+](=O)[O-])cc2)N1	ZINC000044137989	563981732	/nfs/dbraw/zinc/98/17/32/563981732.db2.gz	OFRVMQQOHMYWPT-CYBMUJFWSA-N	0	0	328.755	3.893	40	5		EHBBRN
O=[N+]([O-])c1ccc(OCc2nc(-c3cccc(Cl)c3)n[nH]2)cc1	ZINC000062719639	564018990	/nfs/dbraw/zinc/01/89/90/564018990.db2.gz	ZEWIXHZMJOUQPC-UHFFFAOYSA-N	0	0	330.731	3.612	40	5		EHBBRN
CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000224765941	564119124	/nfs/dbraw/zinc/11/91/24/564119124.db2.gz	PAHQHZYCHFXPHC-UHFFFAOYSA-N	0	0	348.424	3.735	40	5		EHBBRN
COc1cccc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)oc21	ZINC000078771446	564134562	/nfs/dbraw/zinc/13/45/62/564134562.db2.gz	WEVUXNDKLCDQKL-UHFFFAOYSA-N	0	0	326.308	3.910	40	5		EHBBRN
COc1ccc(Nc2cc(Cl)nc(C(C)(C)C)n2)c([N+](=O)[O-])c1	ZINC000329033226	564137582	/nfs/dbraw/zinc/13/75/82/564137582.db2.gz	QRQPLBIKNCITPU-UHFFFAOYSA-N	0	0	336.779	3.510	40	5		EHBBRN
Cc1ccc(OC[C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000058107862	564157639	/nfs/dbraw/zinc/15/76/39/564157639.db2.gz	SZIITQGBIWPLCX-LBPRGKRZSA-N	0	0	348.786	3.754	40	5		EHBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc(C)cc1C	ZINC000008041258	564162368	/nfs/dbraw/zinc/16/23/68/564162368.db2.gz	ZCHHSJGIRPHVAW-CYBMUJFWSA-N	0	0	344.367	3.626	40	5		EHBBRN
O=[N+]([O-])c1ccccc1CNc1ncc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000039956741	213246341	/nfs/dbraw/zinc/24/63/41/213246341.db2.gz	YDBLWYZRUNTGQE-UHFFFAOYSA-N	0	0	342.233	3.529	40	5		EHBBRN
CCc1cccc(CC)c1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000020455165	202043286	/nfs/dbraw/zinc/04/32/86/202043286.db2.gz	SXAAVCBJZJXKQG-UHFFFAOYSA-N	0	0	348.424	3.662	40	5		EHBBRN
COc1cccc(CNc2cc(Br)ccc2[N+](=O)[O-])c1	ZINC000039956378	202167114	/nfs/dbraw/zinc/16/71/14/202167114.db2.gz	JZGDFQZPGQPRRI-UHFFFAOYSA-N	0	0	337.173	3.978	40	5		EHBBRN
CCOC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccc(F)cc3)oc21	ZINC000073641895	202370397	/nfs/dbraw/zinc/37/03/97/202370397.db2.gz	WQMQRFGJRUONFG-UHFFFAOYSA-N	0	0	330.271	3.719	40	5		EHBBRN
COc1c(O)c2c(=O)c3ccccc3n(C)c2cc1OCC=C(C)C	ZINC000005430793	201057571	/nfs/dbraw/zinc/05/75/71/201057571.db2.gz	SKJRDJBAXQXFJY-UHFFFAOYSA-N	0	0	339.391	3.751	40	5	in-vitro	EHBBRN
Cc1ccc(OC[C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000218119875	241300176	/nfs/dbraw/zinc/30/01/76/241300176.db2.gz	CDUQHKZYETVFAJ-LBPRGKRZSA-N	0	0	348.786	3.754	40	5		EHBBRN
CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000225991204	242083009	/nfs/dbraw/zinc/08/30/09/242083009.db2.gz	TYDRJJVQYFVTGQ-UHFFFAOYSA-N	0	0	326.352	3.664	40	5		EHBBRN
O=C1O/C(=C(/Br)c2ccc([N+](=O)[O-])cc2)c2ccccc21	ZINC000001636223	201513879	/nfs/dbraw/zinc/51/38/79/201513879.db2.gz	XNLIZJPSVSOMQT-BUHFOSPRSA-N	0	0	346.136	3.986	40	5		EHBBRN
Cc1csc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1	ZINC000005748692	201661406	/nfs/dbraw/zinc/66/14/06/201661406.db2.gz	FXVWDNOYBRMODZ-UHFFFAOYSA-N	0	0	329.337	3.872	40	5		EHBBRN
COc1cc(-c2nc3cc([N+](=O)[O-])cc(C)c3o2)cc(OC)c1OC	ZINC000073639488	203270584	/nfs/dbraw/zinc/27/05/84/203270584.db2.gz	ICYQZGLPYGIHLD-UHFFFAOYSA-N	0	0	344.323	3.737	40	5		EHBBRN
O=[N+]([O-])c1ccc(CSc2nnc(Cc3ccccc3)[nH]2)cc1	ZINC000010475593	211175576	/nfs/dbraw/zinc/17/55/76/211175576.db2.gz	REFCVIUTKQMICK-UHFFFAOYSA-N	0	0	326.381	3.596	40	5		EHBBRN
Cc1cccc(CSCCNC(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000408907228	257886552	/nfs/dbraw/zinc/88/65/52/257886552.db2.gz	NCWFBSLCTHSPAX-UHFFFAOYSA-N	0	0	330.409	3.566	40	5		EHBBRN
Cc1cc(C(=O)N(C)c2ccc(N3CCCC3)cc2)ccc1[N+](=O)[O-]	ZINC000013646561	563930917	/nfs/dbraw/zinc/93/09/17/563930917.db2.gz	INANGBFDFQACEY-UHFFFAOYSA-N	0	0	339.395	3.780	40	5		EHBBRN
Cc1c(C(=O)NCCCc2ccc(Cl)cc2)cccc1[N+](=O)[O-]	ZINC000013670220	563931709	/nfs/dbraw/zinc/93/17/09/563931709.db2.gz	ZIQMKEQFHJHITI-UHFFFAOYSA-N	0	0	332.787	3.919	40	5		EHBBRN
C[C@]12C[C@H](NC(=O)N1c1cccc(F)c1)c1cc([N+](=O)[O-])ccc1O2	ZINC000000427482	563998179	/nfs/dbraw/zinc/99/81/79/563998179.db2.gz	SWBGDWWARRIPBN-YOEHRIQHSA-N	0	0	343.314	3.504	40	5		EHBBRN
O=C(Nc1ccc2[nH]c3nc4ccccc4nc3c2c1)N1CCCC1	ZINC000408996313	564008692	/nfs/dbraw/zinc/00/86/92/564008692.db2.gz	CYZHNAMLUHNLDK-UHFFFAOYSA-N	0	0	331.379	3.892	40	5		EHBBRN
Cc1cccc(C(C)C)c1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000044840025	564027297	/nfs/dbraw/zinc/02/72/97/564027297.db2.gz	IFPSATLJAQGROW-UHFFFAOYSA-N	0	0	348.424	3.969	40	5		EHBBRN
Cc1cc(C(=O)NCc2ccc(OC(C)C)cc2)ccc1[N+](=O)[O-]	ZINC000044902903	564027556	/nfs/dbraw/zinc/02/75/56/564027556.db2.gz	NHTTWYBDMXOBBB-UHFFFAOYSA-N	0	0	328.368	3.620	40	5		EHBBRN
C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCC2	ZINC000223149560	564063223	/nfs/dbraw/zinc/06/32/23/564063223.db2.gz	KINZFZPBESUYCZ-GMMCIKNFSA-N	0	0	336.391	3.974	40	5		EHBBRN
COc1ccc(CSCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1	ZINC000033414863	564128296	/nfs/dbraw/zinc/12/82/96/564128296.db2.gz	NVEPIYFTRMBQGM-UHFFFAOYSA-N	0	0	346.408	3.784	40	5		EHBBRN
CCc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2C)cc1	ZINC000009064166	564134204	/nfs/dbraw/zinc/13/42/04/564134204.db2.gz	FHLWTVSRODOKDV-UHFFFAOYSA-N	0	0	343.408	3.592	40	5		EHBBRN
COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3cccc(F)c3)nc21	ZINC000010010544	564134533	/nfs/dbraw/zinc/13/45/33/564134533.db2.gz	QWRVEYVXCPVQSY-UHFFFAOYSA-N	0	0	347.327	3.605	40	5		EHBBRN
O=[N+]([O-])c1c(Cl)nc2c(c1Cl)CN(Cc1ccccc1)CC2	ZINC000095097364	564139102	/nfs/dbraw/zinc/13/91/02/564139102.db2.gz	VMUMJTNDCRNKHL-UHFFFAOYSA-N	0	0	338.194	3.855	40	5		EHBBRN
COc1cc2nccc(Oc3ccc([N+](=O)[O-])cc3)c2cc1OC	ZINC000095951531	564142381	/nfs/dbraw/zinc/14/23/81/564142381.db2.gz	YRYKZXCOGVCXBN-UHFFFAOYSA-N	0	0	326.308	3.953	40	5		EHBBRN
CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)COc1ccc([N+](=O)[O-])cc1	ZINC000003181188	564155744	/nfs/dbraw/zinc/15/57/44/564155744.db2.gz	XFHUVRDOFXUZPY-XKQJLSEDSA-N	0	0	335.400	3.978	40	5		EHBBRN
O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCCCn1ccnc1	ZINC000004277476	210159373	/nfs/dbraw/zinc/15/93/73/210159373.db2.gz	WXIZFDCHIQGDQR-UHFFFAOYSA-N	0	0	348.712	3.966	40	5		EHBBRN
O=[N+]([O-])c1cc(Br)cnc1NCc1cc(F)cc(F)c1	ZINC000039956812	213246261	/nfs/dbraw/zinc/24/62/61/213246261.db2.gz	MQXDQOATVIBICD-UHFFFAOYSA-N	0	0	344.115	3.643	40	5		EHBBRN
CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1C	ZINC000020038759	202030298	/nfs/dbraw/zinc/03/02/98/202030298.db2.gz	HJFQKKIYKKLJFR-INIZCTEOSA-N	0	0	332.331	3.838	40	5		EHBBRN
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(OC(F)(F)F)cc1	ZINC000027639681	202159337	/nfs/dbraw/zinc/15/93/37/202159337.db2.gz	GFNYFLBBRBHORH-UHFFFAOYSA-N	0	0	340.257	3.675	40	5		EHBBRN
C[C@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Br)C[C@H](C)O1	ZINC000226316320	205126278	/nfs/dbraw/zinc/12/62/78/205126278.db2.gz	PWKZOVJIAVCMAK-YUMQZZPRSA-N	0	0	349.612	3.624	40	5		EHBBRN
S=C(Nc1ccc2[nH]c3nc4ccccc4nc3c2c1)NC1CC1	ZINC000408977913	257884458	/nfs/dbraw/zinc/88/44/58/257884458.db2.gz	ZFABWQPLEGVGJV-UHFFFAOYSA-N	0	0	333.420	3.713	40	5		EHBBRN
O=C(Nc1cccnc1)c1ccc2[nH]c3nc4ccccc4nc3c2c1	ZINC000408974706	257884846	/nfs/dbraw/zinc/88/48/46/257884846.db2.gz	CDNLREKWFMHORF-UHFFFAOYSA-N	0	0	339.358	3.912	40	5		EHBBRN
COc1ccccc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000015967006	257857784	/nfs/dbraw/zinc/85/77/84/257857784.db2.gz	XDQPWNPANWHHDP-SNVBAGLBSA-N	0	0	334.759	3.748	40	5		EHBBRN
O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc([N+](=O)[O-])cn1	ZINC000004822383	563982219	/nfs/dbraw/zinc/98/22/19/563982219.db2.gz	SHROFEJUFCHXOJ-UHFFFAOYSA-N	0	0	327.127	3.941	40	5		EHBBRN
COc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1[N+](=O)[O-]	ZINC000014258190	563983813	/nfs/dbraw/zinc/98/38/13/563983813.db2.gz	QLBXWMMHANKGIA-RUDMXATFSA-N	0	0	332.743	3.909	40	5		EHBBRN
O=C1OC(c2cccc(Cl)c2)=N/C1=C/c1cccc([N+](=O)[O-])c1	ZINC000000176573	563987577	/nfs/dbraw/zinc/98/75/77/563987577.db2.gz	SWVYOHIOFQKUJK-RIYZIHGNSA-N	0	0	328.711	3.593	40	5		EHBBRN
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1cc(Cl)ccc1Cl	ZINC000000362491	563991656	/nfs/dbraw/zinc/99/16/56/563991656.db2.gz	CPUHQPQWBGDTST-UHFFFAOYSA-N	0	0	337.118	3.702	40	5		EHBBRN
Cc1ccc(-c2ccc(/C=C3/SC(=O)N(C)C3=O)o2)c([N+](=O)[O-])c1	ZINC000409315601	563994432	/nfs/dbraw/zinc/99/44/32/563994432.db2.gz	JYLUGZGWPZQQFM-RIYZIHGNSA-N	0	0	344.348	3.829	40	5		EHBBRN
CCOc1cccc(NC(=O)c2coc3ccc([N+](=O)[O-])cc23)c1	ZINC000408965548	564008372	/nfs/dbraw/zinc/00/83/72/564008372.db2.gz	IPXQRCLHMSJTKB-UHFFFAOYSA-N	0	0	326.308	3.992	40	5		EHBBRN
O=C(Nc1ccc2c(c1)Cc1cc([N+](=O)[O-])c(F)cc1-2)C(F)(F)F	ZINC000001598763	564081712	/nfs/dbraw/zinc/08/17/12/564081712.db2.gz	UCKNHRANFRWGDS-UHFFFAOYSA-N	0	0	340.232	3.806	40	5		EHBBRN
Cc1ccc(C)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1	ZINC000192726387	564093036	/nfs/dbraw/zinc/09/30/36/564093036.db2.gz	QWEHIHWHWAHCBG-UHFFFAOYSA-N	0	0	340.788	3.666	40	5		EHBBRN
COc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)c([N+](=O)[O-])c1	ZINC000003960172	210095296	/nfs/dbraw/zinc/09/52/96/210095296.db2.gz	NDCIGVCCVAIALY-RUDMXATFSA-N	0	0	332.743	3.909	40	5		EHBBRN
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(Cc2ccncc2)cc1	ZINC000015941062	201968749	/nfs/dbraw/zinc/96/87/49/201968749.db2.gz	YCLYGOYBIFGSBN-UHFFFAOYSA-N	0	0	347.374	3.762	40	5		EHBBRN
CCOC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccccc3F)oc21	ZINC000073641849	202369413	/nfs/dbraw/zinc/36/94/13/202369413.db2.gz	OMSMCPIFJFTJLQ-UHFFFAOYSA-N	0	0	330.271	3.719	40	5		EHBBRN
Cc1c(CO)c2ccccc2n1C(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000216960060	241227033	/nfs/dbraw/zinc/22/70/33/241227033.db2.gz	AYOOMSRZCNZZAJ-UHFFFAOYSA-N	0	0	344.754	3.692	40	5		EHBBRN
COc1ccc([C@H](C)NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000225990265	242084461	/nfs/dbraw/zinc/08/44/61/242084461.db2.gz	YAFWOJJFIJAFFW-ZDUSSCGKSA-N	0	0	340.379	3.512	40	5		EHBBRN
O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1cccc([N+](=O)[O-])c1	ZINC000021577089	257856063	/nfs/dbraw/zinc/85/60/63/257856063.db2.gz	LTIUHKGIJQONRH-UHFFFAOYSA-N	0	0	343.358	3.977	40	5		EHBBRN
COc1ccc(Br)cc1CNc1ccc([N+](=O)[O-])cc1	ZINC000035018429	563388211	/nfs/dbraw/zinc/38/82/11/563388211.db2.gz	NOLVMGUFFKQIEC-UHFFFAOYSA-N	0	0	337.173	3.978	40	5		EHBBRN
CC(C)Oc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1	ZINC000013648486	563931364	/nfs/dbraw/zinc/93/13/64/563931364.db2.gz	ZLMJJBGEQOKTAE-UHFFFAOYSA-N	0	0	348.786	3.965	40	5		EHBBRN
Cc1c(NC(=O)[C@@H](C)Oc2ccccc2Cl)cccc1[N+](=O)[O-]	ZINC000013709941	563932082	/nfs/dbraw/zinc/93/20/82/563932082.db2.gz	ZEILLHPXYDCZED-LLVKDONJSA-N	0	0	334.759	3.963	40	5		EHBBRN
O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000003505018	563991285	/nfs/dbraw/zinc/99/12/85/563991285.db2.gz	VQOVAABADYNGPE-UHFFFAOYSA-N	0	0	336.687	3.513	40	5		EHBBRN
CN1C=Cc2ccccc2[C@H]1C([C@@H]1c2ccccc2C=CN1C)[N+](=O)[O-]	ZINC000004958336	563993297	/nfs/dbraw/zinc/99/32/97/563993297.db2.gz	RQHSYOCXHKSIFH-PMACEKPBSA-N	0	0	347.418	3.947	40	5		EHBBRN
Cc1ccc(O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)c1	ZINC000008048871	563995567	/nfs/dbraw/zinc/99/55/67/563995567.db2.gz	VWZCLLMVXOXBOX-CQSZACIVSA-N	0	0	328.368	3.926	40	5		EHBBRN
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](Sc1nc3cc([N+](=O)[O-])ccc3[nH]1)C2=O	ZINC000005482318	564004586	/nfs/dbraw/zinc/00/45/86/564004586.db2.gz	KHPGLTYCNYHVLU-VMDBXTETSA-N	0	0	345.424	3.957	40	5		EHBBRN
O=C(/N=c1\oc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(F)cc1	ZINC000005579826	564005731	/nfs/dbraw/zinc/00/57/31/564005731.db2.gz	OUVSWILWKRSTOR-FBMGVBCBSA-N	0	0	344.323	3.797	40	5		EHBBRN
CC(C)Oc1cccc(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1	ZINC000046656071	564017353	/nfs/dbraw/zinc/01/73/53/564017353.db2.gz	RAQJLBWNUAKDSK-DHZHZOJOSA-N	0	0	340.379	3.712	40	5		EHBBRN
CC(=O)Nc1cc2c(cc1Br)-c1ccc([N+](=O)[O-])cc1C2	ZINC000001574372	564081677	/nfs/dbraw/zinc/08/16/77/564081677.db2.gz	NSLKLPPDRFRMHF-UHFFFAOYSA-N	0	0	347.168	3.887	40	5		EHBBRN
CC(C)c1ccc(CN(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000223725901	564081859	/nfs/dbraw/zinc/08/18/59/564081859.db2.gz	GUBLTYVBPFDZSL-UHFFFAOYSA-N	0	0	348.424	3.539	40	5		EHBBRN
CCCSc1nnc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)s1	ZINC000007319447	564106599	/nfs/dbraw/zinc/10/65/99/564106599.db2.gz	XXENDPYSJSHCIW-UHFFFAOYSA-N	0	0	338.414	3.509	40	5		EHBBRN
Cc1c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cccc1[N+](=O)[O-]	ZINC000008907418	564134128	/nfs/dbraw/zinc/13/41/28/564134128.db2.gz	WTKXAQXIUOVSSU-LLVKDONJSA-N	0	0	334.759	3.963	40	5		EHBBRN
CC[C@@H](Oc1ccccc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1C	ZINC000078700653	564134557	/nfs/dbraw/zinc/13/45/57/564134557.db2.gz	GJNYYPQZJYVKDO-OAHLLOKOSA-N	0	0	332.331	3.838	40	5		EHBBRN
Cc1cc(C)cc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1	ZINC000019162905	564136415	/nfs/dbraw/zinc/13/64/15/564136415.db2.gz	COECHJZTCWYNRB-UHFFFAOYSA-N	0	0	334.759	3.883	40	5		EHBBRN
Cc1ccc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000019162976	564136428	/nfs/dbraw/zinc/13/64/28/564136428.db2.gz	UGAXMTJGPRIGPV-NSHDSACASA-N	0	0	334.759	3.963	40	5		EHBBRN
Cc1c(Nc2cc(Cl)nc(-c3ccccn3)n2)cccc1[N+](=O)[O-]	ZINC000329042538	564137618	/nfs/dbraw/zinc/13/76/18/564137618.db2.gz	SNGSZBOYRPPSGL-UHFFFAOYSA-N	0	0	341.758	3.574	40	5		EHBBRN
Cc1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cccc1[N+](=O)[O-]	ZINC000014006962	1037737039	/nfs/dbraw/zinc/73/70/39/1037737039.db2.gz	NKCKCGLDOWBYJJ-LLVKDONJSA-N	0	0	334.759	3.963	40	5		EHBBRN
O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccccc1[N+](=O)[O-]	ZINC000020140799	202034333	/nfs/dbraw/zinc/03/43/33/202034333.db2.gz	GUSYCLSFEDVXQE-UHFFFAOYSA-N	0	0	338.319	3.599	40	5		EHBBRN
Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cccc1[N+](=O)[O-]	ZINC000005921599	201361736	/nfs/dbraw/zinc/36/17/36/201361736.db2.gz	MPHMJSIOXSYNEJ-UHFFFAOYSA-N	0	0	335.703	3.717	40	5		EHBBRN
Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000217872188	241280956	/nfs/dbraw/zinc/28/09/56/241280956.db2.gz	QESVSTULRRBTHZ-LBPRGKRZSA-N	0	0	348.786	3.754	40	5		EHBBRN
COc1ccc([C@@H]2Oc3nc4cc([N+](=O)[O-])ccc4nc3C2O)cc1	ZINC000103914708	204089232	/nfs/dbraw/zinc/08/92/32/204089232.db2.gz	VIEFGVUXGBARIW-INIZCTEOSA-N	0	0	339.307	3.600	40	5		EHBBRN
COC(=O)c1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1C	ZINC000000562674	206242496	/nfs/dbraw/zinc/24/24/96/206242496.db2.gz	MLTZVXLCXHGGCA-UHFFFAOYSA-N	0	0	348.742	3.596	40	5		EHBBRN
O=[N+]([O-])c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3OCC[C@@H]32)cc1	ZINC000409188184	257875463	/nfs/dbraw/zinc/87/54/63/257875463.db2.gz	BOJFIZFIZDRUBS-XOKHGSTOSA-N	0	0	341.323	3.747	40	5		EHBBRN
O=[N+]([O-])/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	ZINC000409071329	563994144	/nfs/dbraw/zinc/99/41/44/563994144.db2.gz	NSSLPPDSBIBAJG-WAYWQWQTSA-N	0	0	339.101	3.865	40	5		EHBBRN
CC(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1	ZINC000005231103	564001404	/nfs/dbraw/zinc/00/14/04/564001404.db2.gz	ATLSSYCKJHJEJF-UHFFFAOYSA-N	0	0	329.312	3.879	40	5		EHBBRN
O=C1CS[C@H](c2c[nH]c3ccccc32)N1c1cccc([N+](=O)[O-])c1	ZINC000005847832	564056604	/nfs/dbraw/zinc/05/66/04/564056604.db2.gz	HPHIAJHRALEFTL-QGZVFWFLSA-N	0	0	339.376	3.855	40	5		EHBBRN
Cc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cn2)cc1Cl	ZINC000160140901	564063453	/nfs/dbraw/zinc/06/34/53/564063453.db2.gz	AOEKWTAWJXCBMZ-UHFFFAOYSA-N	0	0	337.788	3.682	40	5		EHBBRN
O=C1NC(=S)C(=CC(Cl)=Cc2ccc([N+](=O)[O-])cc2)S1	ZINC000001447479	564070814	/nfs/dbraw/zinc/07/08/14/564070814.db2.gz	QYVIWAXCJUGBSW-UQZKWGPRSA-N	0	0	326.786	3.842	40	5		EHBBRN
O=C1OC(c2ccccc2)=N/C1=C/c1cc([N+](=O)[O-])ccc1Cl	ZINC000001722811	564082924	/nfs/dbraw/zinc/08/29/24/564082924.db2.gz	MRVVQRRPZUDHRC-NTEUORMPSA-N	0	0	328.711	3.593	40	5		EHBBRN
O=C(Nc1ccc(Cl)cc1O)c1coc2ccc([N+](=O)[O-])cc21	ZINC000139749464	564124732	/nfs/dbraw/zinc/12/47/32/564124732.db2.gz	PBXZIVAXHFCLPW-UHFFFAOYSA-N	0	0	332.699	3.952	40	5		EHBBRN
COc1ccccc1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000018076252	564133459	/nfs/dbraw/zinc/13/34/59/564133459.db2.gz	APWJXYPHXNAACM-UHFFFAOYSA-N	0	0	334.759	3.529	40	5		EHBBRN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC1CCCCCC1	ZINC000010543525	564134651	/nfs/dbraw/zinc/13/46/51/564134651.db2.gz	LOBYFYJLMWLSJL-UHFFFAOYSA-N	0	0	340.445	3.542	40	5		EHBBRN
O=[N+]([O-])c1cc(Br)cnc1NCc1cccc(F)c1	ZINC000039956671	213245695	/nfs/dbraw/zinc/24/56/95/213245695.db2.gz	LRBCSHPXPBWWEZ-UHFFFAOYSA-N	0	0	326.125	3.504	40	5		EHBBRN
Cc1c(NC(=O)CSCc2ccc(F)cc2)cccc1[N+](=O)[O-]	ZINC000023155639	202098648	/nfs/dbraw/zinc/09/86/48/202098648.db2.gz	AHZQAQQYFNIUQN-UHFFFAOYSA-N	0	0	334.372	3.914	40	5		EHBBRN
COc1ccccc1/C=C/C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000217964215	241288590	/nfs/dbraw/zinc/28/85/90/241288590.db2.gz	ZMRLMPYZQLNHGW-RMKNXTFCSA-N	0	0	332.743	3.909	40	5		EHBBRN
O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2cc(Cl)ccc2oc1=O	ZINC000226041755	242087183	/nfs/dbraw/zinc/08/71/83/242087183.db2.gz	WBXBNERPVOWAKT-UHFFFAOYSA-N	0	0	344.710	3.607	40	5		EHBBRN
CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)COc1cccc(C)c1	ZINC000072228779	203184078	/nfs/dbraw/zinc/18/40/78/203184078.db2.gz	GRHXBFFFYUFVGW-UHFFFAOYSA-N	0	0	328.368	3.792	40	5		EHBBRN
CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1cc(OC)cc(OC)c1	ZINC000072228742	203184301	/nfs/dbraw/zinc/18/43/01/203184301.db2.gz	UFUNUGKMOYZHMK-UHFFFAOYSA-N	0	0	344.367	3.735	40	5		EHBBRN
Cc1cccc(CCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1	ZINC000010110636	211148036	/nfs/dbraw/zinc/14/80/36/211148036.db2.gz	QDQABXWEOASBKY-UHFFFAOYSA-N	0	0	332.787	3.919	40	5		EHBBRN
Cc1csc2[nH]c(SCc3ccc([N+](=O)[O-])cc3)nc(=O)c12	ZINC000408597829	257894624	/nfs/dbraw/zinc/89/46/24/257894624.db2.gz	BEHICYFRUZHHFA-UHFFFAOYSA-N	0	0	333.394	3.906	40	5		EHBBRN
Nc1c(Cl)cc([N+](=O)[O-])c(N2CCCCC2)c1Br	ZINC000045891255	135603753	/nfs/dbraw/zinc/60/37/53/135603753.db2.gz	LZFVIRDEJVZLRL-UHFFFAOYSA-N	0	0	334.601	3.583	40	5		EHBBRN
CCCc1ccc(OCCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000223382206	535420688	/nfs/dbraw/zinc/42/06/88/535420688.db2.gz	UZWKZKHCPLLMQB-UHFFFAOYSA-N	0	0	342.395	3.665	40	5		EHBBRN
COc1ccccc1CCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000217871738	537030813	/nfs/dbraw/zinc/03/08/13/537030813.db2.gz	PPGMZPLELQARST-UHFFFAOYSA-N	0	0	348.786	3.619	40	5		EHBBRN
Cc1nc2nc(-c3ccccc3)cc(-c3cccc([N+](=O)[O-])c3)n2n1	ZINC000013637410	563930983	/nfs/dbraw/zinc/93/09/83/563930983.db2.gz	WTYSVSHQYBJWCR-UHFFFAOYSA-N	0	0	331.335	3.675	40	5		EHBBRN
O=C(Oc1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1	ZINC000004614995	563931599	/nfs/dbraw/zinc/93/15/99/563931599.db2.gz	KEXJSGLWSDZYMT-UHFFFAOYSA-N	0	0	326.352	3.804	40	5		EHBBRN
Cc1ccccc1-c1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1	ZINC000000371178	563991815	/nfs/dbraw/zinc/99/18/15/563991815.db2.gz	JGDSODRMALIWTA-UHFFFAOYSA-N	0	0	340.364	3.674	40	5		EHBBRN
S=C(Nc1cccnc1)Nc1cc2ncccc2c2cccnc12	ZINC000408978177	564008596	/nfs/dbraw/zinc/00/85/96/564008596.db2.gz	YQECVCPEUYUNRT-UHFFFAOYSA-N	0	0	331.404	3.987	40	5		EHBBRN
CCc1ccc2nc3nc4[nH]nc(-c5cccc(F)c5)n4nc-3c2c1	ZINC000588229208	564014849	/nfs/dbraw/zinc/01/48/49/564014849.db2.gz	MPMCGZNLUQKXHR-UHFFFAOYSA-N	0	0	332.342	3.522	40	5		EHBBRN
C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc([N+](=O)[O-])cc2)S1	ZINC000222561556	564054145	/nfs/dbraw/zinc/05/41/45/564054145.db2.gz	JYRPUDPYJZMDFO-LYRGGWFBSA-N	0	0	340.408	3.579	40	5		EHBBRN
CCCCNC(=O)Cn1c2ccccc2c2nc3ccccc3nc21	ZINC000028539392	564079210	/nfs/dbraw/zinc/07/92/10/564079210.db2.gz	KOKQYXFVOZNJKO-UHFFFAOYSA-N	0	0	332.407	3.654	40	5		EHBBRN
CN(CCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1	ZINC000007689972	564121847	/nfs/dbraw/zinc/12/18/47/564121847.db2.gz	MBQKOVHTFNSLGY-UHFFFAOYSA-N	0	0	347.802	3.505	40	5		EHBBRN
COc1ccccc1-c1nc(SCc2ccc([N+](=O)[O-])cc2)n[nH]1	ZINC000010475490	564127837	/nfs/dbraw/zinc/12/78/37/564127837.db2.gz	ILPFMJAPPMQHJS-UHFFFAOYSA-N	0	0	342.380	3.681	40	5		EHBBRN
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000009141753	564134233	/nfs/dbraw/zinc/13/42/33/564134233.db2.gz	WYYLUBSVELBXRT-UHFFFAOYSA-N	0	0	335.703	3.717	40	5		EHBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccccc1Cl	ZINC000010457626	564134615	/nfs/dbraw/zinc/13/46/15/564134615.db2.gz	WPXKQIUXGFYGDB-UHFFFAOYSA-N	0	0	334.759	3.828	40	5		EHBBRN
CCOc1ccc([C@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000010977533	564134820	/nfs/dbraw/zinc/13/48/20/564134820.db2.gz	WBXNJQCKSMZCJW-ZDUSSCGKSA-N	0	0	328.368	3.793	40	5		EHBBRN
O=[N+]([O-])c1cnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1	ZINC000067799368	564134900	/nfs/dbraw/zinc/13/49/00/564134900.db2.gz	XLQOEWKNDUGIOJ-UHFFFAOYSA-N	0	0	339.195	3.877	40	5		EHBBRN
O=[N+]([O-])c1cccc(-c2nnc(CNc3ccc(Cl)cc3)[nH]2)c1	ZINC000040174571	564168480	/nfs/dbraw/zinc/16/84/80/564168480.db2.gz	KVKWFFCFQAPTTH-UHFFFAOYSA-N	0	0	329.747	3.645	40	5		EHBBRN
O=[N+]([O-])c1c(Br)ccnc1NCc1ccc(F)c(F)c1	ZINC000039956817	213245775	/nfs/dbraw/zinc/24/57/75/213245775.db2.gz	YACXSSCPRYTBMY-UHFFFAOYSA-N	0	0	344.115	3.643	40	5		EHBBRN
O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000020140906	202033868	/nfs/dbraw/zinc/03/38/68/202033868.db2.gz	ACDNNVJWXCWTDN-UHFFFAOYSA-N	0	0	338.319	3.599	40	5		EHBBRN
COc1cc(OCC(=O)Nc2c(C)cc(C)cc2C)ccc1[N+](=O)[O-]	ZINC000022259306	202082666	/nfs/dbraw/zinc/08/26/66/202082666.db2.gz	YWGJZUOXXBQHIV-UHFFFAOYSA-N	0	0	344.367	3.546	40	5		EHBBRN
O=C(c1ccc2ccccc2c1)N1CCN=Cc2cc([N+](=O)[O-])ccc21	ZINC000073642329	202370169	/nfs/dbraw/zinc/37/01/69/202370169.db2.gz	KKUNGMLJBIURIS-UHFFFAOYSA-N	0	0	345.358	3.827	40	5		EHBBRN
O=Cc1cc([N+](=O)[O-])ccc1OCc1cc(Cl)cc2c1OCOC2	ZINC000000152856	201442307	/nfs/dbraw/zinc/44/23/07/201442307.db2.gz	ZTYMPPYITZUTDB-UHFFFAOYSA-N	0	0	349.726	3.506	40	5		EHBBRN
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000217866205	241282189	/nfs/dbraw/zinc/28/21/89/241282189.db2.gz	IATYWARROBGNEU-MRXNPFEDSA-N	0	0	340.379	3.935	40	5		EHBBRN
Cc1cc(C)c(Nc2nc3ccccc3nc2Cl)c([N+](=O)[O-])c1	ZINC000408756914	257889279	/nfs/dbraw/zinc/88/92/79/257889279.db2.gz	KIJZDUIRBCYGHU-UHFFFAOYSA-N	0	0	328.759	3.974	40	5		EHBBRN
Cc1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1[N+](=O)[O-]	ZINC000010542382	257860405	/nfs/dbraw/zinc/86/04/05/257860405.db2.gz	VWYFCUXGPZKLHS-UHFFFAOYSA-N	0	0	332.787	3.919	40	5		EHBBRN
Cc1cc(C(=O)NCCSCc2ccccc2F)ccc1[N+](=O)[O-]	ZINC000010280462	257861062	/nfs/dbraw/zinc/86/10/62/257861062.db2.gz	DTJNQJGPCAEIQA-UHFFFAOYSA-N	0	0	348.399	3.706	40	5		EHBBRN
O=[N+]([O-])c1cc2c(cc1-c1ccccc1Br)OCCO2	ZINC000005584328	564005921	/nfs/dbraw/zinc/00/59/21/564005921.db2.gz	DTRJTWBFHDVUOU-UHFFFAOYSA-N	0	0	336.141	3.796	40	5		EHBBRN
CC(C)[C@@]12C=C[C@@](C)(CC1)n1c(=O)c3cc4ccccc4cc3c(=O)n12	ZINC000001631675	563397846	/nfs/dbraw/zinc/39/78/46/563397846.db2.gz	GTQKGZSMBCWFAA-FCHUYYIVSA-N	0	0	346.430	3.747	40	5		EHBBRN
COc1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2C)c(OC)c1	ZINC000000147363	563987059	/nfs/dbraw/zinc/98/70/59/563987059.db2.gz	GIBMURUZTHGSFL-RMKNXTFCSA-N	0	0	342.351	3.572	40	5		EHBBRN
O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1	ZINC000000319862	563990969	/nfs/dbraw/zinc/99/09/69/563990969.db2.gz	JQGLWKOUVYDSNT-UHFFFAOYSA-N	0	0	341.348	3.620	40	5		EHBBRN
O=C1S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1c1cccc(O)c1	ZINC000005376237	564003172	/nfs/dbraw/zinc/00/31/72/564003172.db2.gz	ZJUOAWLPSVLSER-ZSOIEALJSA-N	0	0	342.332	3.541	40	5		EHBBRN
CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OCC	ZINC000005466515	564004442	/nfs/dbraw/zinc/00/44/42/564004442.db2.gz	AWDJJFAUWSTGRG-UHFFFAOYSA-N	0	0	344.367	3.953	40	5		EHBBRN
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)C(Cl)(Cl)Cl	ZINC000014258314	564021856	/nfs/dbraw/zinc/02/18/56/564021856.db2.gz	HLUCHMXKTKWGGV-UHFFFAOYSA-N	0	0	331.970	3.865	40	5		EHBBRN
Cc1ccc(Cl)cc1NC(=O)CSc1ccc([N+](=O)[O-])cn1	ZINC000160306387	564074191	/nfs/dbraw/zinc/07/41/91/564074191.db2.gz	ITJKGUVMHSHWFI-UHFFFAOYSA-N	0	0	337.788	3.682	40	5		EHBBRN
CCOc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OC	ZINC000015790735	564075112	/nfs/dbraw/zinc/07/51/12/564075112.db2.gz	GAMVQSPWUVKCTN-UHFFFAOYSA-N	0	0	330.340	3.563	40	5		EHBBRN
CCCC[C@](CCc1ccccc1[N+](=O)[O-])(C(C)=O)C(=O)OCC	ZINC000001666543	564082147	/nfs/dbraw/zinc/08/21/47/564082147.db2.gz	UAIKRYRQSOTUBI-SFHVURJKSA-N	0	0	335.400	3.856	40	5		EHBBRN
C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000224416155	564090423	/nfs/dbraw/zinc/09/04/23/564090423.db2.gz	KWQNYDZUSUZLQR-ZDUSSCGKSA-N	0	0	340.379	3.880	40	5		EHBBRN
CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000225071125	564125312	/nfs/dbraw/zinc/12/53/12/564125312.db2.gz	YFWIUPIJDMGLEG-UHFFFAOYSA-N	0	0	348.424	3.735	40	5		EHBBRN
CCOc1ccc([C@@H](C)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1	ZINC000011169091	564134869	/nfs/dbraw/zinc/13/48/69/564134869.db2.gz	VQFZPSWBPYWMBK-YGLIYXGISA-N	0	0	340.379	3.884	40	5		EHBBRN
CCOC(=O)c1cc(Cl)c(N2CCCC[C@H]2C)c([N+](=O)[O-])c1	ZINC000070462588	564136192	/nfs/dbraw/zinc/13/61/92/564136192.db2.gz	MGQLUBHRKJMTSM-SNVBAGLBSA-N	0	0	326.780	3.804	40	5		EHBBRN
O=[N+]([O-])c1ccc2nc(N3CCCCC3)c(N3CCCCC3)nc2c1	ZINC000003107333	564155186	/nfs/dbraw/zinc/15/51/86/564155186.db2.gz	UFJSUCGVLKZJDD-UHFFFAOYSA-N	0	0	341.415	3.519	40	5		EHBBRN
CC(C)[C@@H]1CC[C@H](C)[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000003845748	564159495	/nfs/dbraw/zinc/15/94/95/564159495.db2.gz	LTRDGCCRAMQMOX-VBNZEHGJSA-N	0	0	333.384	3.639	40	5		EHBBRN
Cc1ccc(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C)c1	ZINC000008494040	564165462	/nfs/dbraw/zinc/16/54/62/564165462.db2.gz	GXFVCNMHXIUESR-CQSZACIVSA-N	0	0	328.368	3.926	40	5		EHBBRN
Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1	ZINC000013710688	201911142	/nfs/dbraw/zinc/91/11/42/201911142.db2.gz	OCSZDMSSETVJHN-AWEZNQCLSA-N	0	0	328.368	3.926	40	5		EHBBRN
CCOC(=O)c1cc([N+](=O)[O-])cc2nc(-c3cccc(F)c3)oc21	ZINC000073641866	202369430	/nfs/dbraw/zinc/36/94/30/202369430.db2.gz	DRMZAXMCEPZODB-UHFFFAOYSA-N	0	0	330.271	3.719	40	5		EHBBRN
Cc1c(NC(=O)C2(c3ccccc3)CCOCC2)cccc1[N+](=O)[O-]	ZINC000041776050	202487450	/nfs/dbraw/zinc/48/74/50/202487450.db2.gz	CLCSZOJAQFNXIO-UHFFFAOYSA-N	0	0	340.379	3.590	40	5		EHBBRN
Cc1cccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	ZINC000002730380	201541464	/nfs/dbraw/zinc/54/14/64/201541464.db2.gz	POWWOWZZILGBEW-UHFFFAOYSA-N	0	0	347.352	3.542	40	5		EHBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c(c1)CCCC2	ZINC000072728024	203243015	/nfs/dbraw/zinc/24/30/15/203243015.db2.gz	OISYPQXGSLUIFT-UHFFFAOYSA-N	0	0	326.352	3.735	40	5		EHBBRN
Cn1nc([N+](=O)[O-])nc1SC(c1ccccc1)c1ccccc1	ZINC000095116213	218281859	/nfs/dbraw/zinc/28/18/59/218281859.db2.gz	RBAMFUGGYJEQHA-UHFFFAOYSA-N	0	0	326.381	3.605	40	5		EHBBRN
Cc1ccc(C(=O)N(C)c2ccc(N3CCCC3)cc2)cc1[N+](=O)[O-]	ZINC000013672743	563931692	/nfs/dbraw/zinc/93/16/92/563931692.db2.gz	ISUFDJMUZWUMLV-UHFFFAOYSA-N	0	0	339.395	3.780	40	5		EHBBRN
CC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)c2c(n1)CCCC2	ZINC000408583584	563993490	/nfs/dbraw/zinc/99/34/90/563993490.db2.gz	VNPSOOUILZMJBF-UHFFFAOYSA-N	0	0	343.408	3.926	40	5		EHBBRN
CCn1c2ccccc2nc1SC(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000408692566	563993645	/nfs/dbraw/zinc/99/36/45/563993645.db2.gz	PLJOGUOGKGFCPW-UHFFFAOYSA-N	0	0	341.392	3.826	40	5		EHBBRN
O=C(COc1ccccc1)c1cc([N+](=O)[O-])ccc1Br	ZINC000007342112	563994446	/nfs/dbraw/zinc/99/44/46/563994446.db2.gz	NSTCKKJCMXBBTI-UHFFFAOYSA-N	0	0	336.141	3.619	40	5		EHBBRN
Cc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2C)c(C)c1	ZINC000000570435	564023586	/nfs/dbraw/zinc/02/35/86/564023586.db2.gz	CYJYLVCTUSMWLI-UHFFFAOYSA-N	0	0	343.408	3.647	40	5		EHBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cccc(Br)c1	ZINC000225615825	564048463	/nfs/dbraw/zinc/04/84/63/564048463.db2.gz	HVSRGCYYPFMYGZ-UHFFFAOYSA-N	0	0	349.184	3.847	40	5		EHBBRN
C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2cccc([N+](=O)[O-])c2)S1	ZINC000260781629	564052591	/nfs/dbraw/zinc/05/25/91/564052591.db2.gz	UEHHLGFSRQTRIJ-HFBAOOFYSA-N	0	0	340.408	3.579	40	5		EHBBRN
Cc1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C	ZINC000223434157	564074311	/nfs/dbraw/zinc/07/43/11/564074311.db2.gz	YVQKDICKSSLWKD-UHFFFAOYSA-N	0	0	348.786	3.674	40	5		EHBBRN
CCc1ccc(OCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000223434471	564074319	/nfs/dbraw/zinc/07/43/19/564074319.db2.gz	XSCPFZXCZVWSRG-UHFFFAOYSA-N	0	0	348.786	3.619	40	5		EHBBRN
Cc1cccc(OCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1C	ZINC000223897181	564082473	/nfs/dbraw/zinc/08/24/73/564082473.db2.gz	KGTUQKORNVOSFQ-UHFFFAOYSA-N	0	0	348.786	3.674	40	5		EHBBRN
CC(C)(C)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000001728611	564082926	/nfs/dbraw/zinc/08/29/26/564082926.db2.gz	MZBRRMFLDUVAGD-UHFFFAOYSA-N	0	0	335.381	3.660	40	5		EHBBRN
Cc1c(Cl)cccc1NC(=O)CSc1ccc([N+](=O)[O-])cn1	ZINC000192682309	564092741	/nfs/dbraw/zinc/09/27/41/564092741.db2.gz	YQMYLJYTLGLCCO-UHFFFAOYSA-N	0	0	337.788	3.682	40	5		EHBBRN
Cc1ccc(OCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1	ZINC000017371369	564120199	/nfs/dbraw/zinc/12/01/99/564120199.db2.gz	FIWDVUKZKAPKNN-UHFFFAOYSA-N	0	0	348.786	3.674	40	5		EHBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccc(C)c(C)c1	ZINC000225431674	564134656	/nfs/dbraw/zinc/13/46/56/564134656.db2.gz	GUWRPCWLAPKJOH-UHFFFAOYSA-N	0	0	328.368	3.792	40	5		EHBBRN
Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1-c1ccc(CO)o1	ZINC000020139760	564138411	/nfs/dbraw/zinc/13/84/11/564138411.db2.gz	KVCQORMMSGWGGU-UHFFFAOYSA-N	0	0	342.307	3.501	40	5		EHBBRN
CCCCOc1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	ZINC000003188543	564155790	/nfs/dbraw/zinc/15/57/90/564155790.db2.gz	RCMBRPHGFUBCED-UHFFFAOYSA-N	0	0	340.335	3.574	40	5		EHBBRN
O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccc([N+](=O)[O-])cc1	ZINC000020140888	202033891	/nfs/dbraw/zinc/03/38/91/202033891.db2.gz	SOOLYHUNNQWUJV-UHFFFAOYSA-N	0	0	338.319	3.599	40	5		EHBBRN
CC[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1	ZINC000021836357	202072050	/nfs/dbraw/zinc/07/20/50/202072050.db2.gz	WWECQNQEJOEGDP-LGWVBRRBSA-N	0	0	340.379	3.884	40	5		EHBBRN
O=[N+]([O-])c1cc2cnn(C34CC5CC(CC(C5)C3)C4)c2c([N+](=O)[O-])c1	ZINC000035656846	213044343	/nfs/dbraw/zinc/04/43/43/213044343.db2.gz	WRGOVHDWUUNHKC-UHFFFAOYSA-N	0	0	342.355	3.778	40	5		EHBBRN
CC(=O)c1cccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c1	ZINC000027643524	212570161	/nfs/dbraw/zinc/57/01/61/212570161.db2.gz	XAXGFPRIOBQKNX-UHFFFAOYSA-N	0	0	326.352	3.714	40	5		EHBBRN
C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc([N+](=O)[O-])cc2)S1	ZINC000222561502	241526353	/nfs/dbraw/zinc/52/63/53/241526353.db2.gz	JYRPUDPYJZMDFO-UVBJJODRSA-N	0	0	340.408	3.579	40	5		EHBBRN
Cc1nnc(SCc2cccc([N+](=O)[O-])c2)n1-c1ccc(F)cc1	ZINC000409103498	257879730	/nfs/dbraw/zinc/87/97/30/257879730.db2.gz	WUFVMMHKVTYNIM-UHFFFAOYSA-N	0	0	344.371	3.915	40	5		EHBBRN
CCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(C)c1	ZINC000013669975	563931702	/nfs/dbraw/zinc/93/17/02/563931702.db2.gz	KAVOSSGQPKIQFZ-UHFFFAOYSA-N	0	0	342.351	3.641	40	5		EHBBRN
C[C@H](NC(=O)CSCc1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000408723802	563993702	/nfs/dbraw/zinc/99/37/02/563993702.db2.gz	OSEXIJRQCJGVGO-ZDUSSCGKSA-N	0	0	330.409	3.705	40	5		EHBBRN
O=C(NCCSc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000008361019	564016122	/nfs/dbraw/zinc/01/61/22/564016122.db2.gz	RPJYQNUQDCJCBU-UHFFFAOYSA-N	0	0	336.800	3.770	40	5		EHBBRN
CCc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1	ZINC000005877657	564056767	/nfs/dbraw/zinc/05/67/67/564056767.db2.gz	ATMGULNVHPWNOO-UHFFFAOYSA-N	0	0	343.408	3.592	40	5		EHBBRN
COc1ccc(OC)c2c1CC[C@@H](c1ccc([N+](=O)[O-])cc1)C2=O	ZINC000169800195	564101189	/nfs/dbraw/zinc/10/11/89/564101189.db2.gz	UBRPWJSPDUTAAC-ZDUSSCGKSA-N	0	0	327.336	3.525	40	5		EHBBRN
COc1cc([N+](=O)[O-])ccc1Nc1nc2ccccc2nc1Cl	ZINC000170546334	564108675	/nfs/dbraw/zinc/10/86/75/564108675.db2.gz	JACATANSBSHPRW-UHFFFAOYSA-N	0	0	330.731	3.944	40	5		EHBBRN
O=[N+]([O-])c1ccc(Nc2cc(Cl)nc(-c3ccccn3)n2)cc1	ZINC000329069692	564137658	/nfs/dbraw/zinc/13/76/58/564137658.db2.gz	YZOYSQZOGSMWCE-UHFFFAOYSA-N	0	0	327.731	3.844	40	5		EHBBRN
CCCCCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1	ZINC000003016579	564154406	/nfs/dbraw/zinc/15/44/06/564154406.db2.gz	SOVCDXRWAPOPRW-UHFFFAOYSA-N	0	0	334.401	3.821	40	5		EHBBRN
COc1ccc(CNc2nc3ccc([N+](=O)[O-])cc3s2)cc1OC	ZINC000059461235	564161314	/nfs/dbraw/zinc/16/13/14/564161314.db2.gz	AKUSKMPYQFYIOI-UHFFFAOYSA-N	0	0	345.380	3.834	40	5		EHBBRN
COC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccccc3Cl)oc21	ZINC000073641954	202369838	/nfs/dbraw/zinc/36/98/38/202369838.db2.gz	NSGMSXSGWAAEJR-UHFFFAOYSA-N	0	0	332.699	3.843	40	5		EHBBRN
CCOc1ccc(CCCNC(=O)c2cccc([N+](=O)[O-])c2C)cc1	ZINC000217875708	241282096	/nfs/dbraw/zinc/28/20/96/241282096.db2.gz	PURUMOLXKVYNFN-UHFFFAOYSA-N	0	0	342.395	3.665	40	5		EHBBRN
COc1c2c(C)nn(-c3cccc([N+](=O)[O-])c3)c2nc2ccccc21	ZINC000255186942	244044389	/nfs/dbraw/zinc/04/43/89/244044389.db2.gz	ADHOBIRHRTYELI-UHFFFAOYSA-N	0	0	334.335	3.799	40	5		EHBBRN
O=C(COc1ccccc1)Nc1cc(Cl)c([N+](=O)[O-])cc1Cl	ZINC000072229489	203183910	/nfs/dbraw/zinc/18/39/10/203183910.db2.gz	TUCWISJHWFAJGE-UHFFFAOYSA-N	0	0	341.150	3.919	40	5		EHBBRN
Cc1c(C(=O)NCCCc2ccccc2Cl)cccc1[N+](=O)[O-]	ZINC000013668675	563931686	/nfs/dbraw/zinc/93/16/86/563931686.db2.gz	HHOMEIWXOYCRDF-UHFFFAOYSA-N	0	0	332.787	3.919	40	5		EHBBRN
Cc1ccc(C(=O)NCCCc2ccccc2Cl)cc1[N+](=O)[O-]	ZINC000013670291	563931689	/nfs/dbraw/zinc/93/16/89/563931689.db2.gz	MYLUBEDLNPTGTP-UHFFFAOYSA-N	0	0	332.787	3.919	40	5		EHBBRN
O=C(CCc1ncc(-c2ccccc2)o1)Nc1cccc([N+](=O)[O-])c1	ZINC000014206886	563983414	/nfs/dbraw/zinc/98/34/14/563983414.db2.gz	DNZVYQHFCRGTMS-UHFFFAOYSA-N	0	0	337.335	3.821	40	5		EHBBRN
CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000072228665	563985844	/nfs/dbraw/zinc/98/58/44/563985844.db2.gz	NCFLORVSVLAAHV-UHFFFAOYSA-N	0	0	329.312	3.626	40	5		EHBBRN
Cc1ccc(OCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1	ZINC000000145382	563987060	/nfs/dbraw/zinc/98/70/60/563987060.db2.gz	APJNRSJNIQZTBR-UHFFFAOYSA-N	0	0	343.364	3.530	40	5		EHBBRN
O=C1c2ccc3c4c(ccc(c42)C(=O)N1c1ccc([N+](=O)[O-])cc1)CC3	ZINC000005513603	564004883	/nfs/dbraw/zinc/00/48/83/564004883.db2.gz	NRINFNMVHZQQDP-UHFFFAOYSA-N	0	0	344.326	3.647	40	5		EHBBRN
O=C(Nc1cc2c(cc1[N+](=O)[O-])-c1c(cccc1F)C2)C(F)(F)F	ZINC000005541854	564005183	/nfs/dbraw/zinc/00/51/83/564005183.db2.gz	STVBLQIDYZEBAP-UHFFFAOYSA-N	0	0	340.232	3.806	40	5		EHBBRN
O=[N+]([O-])c1ccc(Oc2ccc3ccccc3c2CO)c([N+](=O)[O-])c1	ZINC000409121155	564010329	/nfs/dbraw/zinc/01/03/29/564010329.db2.gz	WNVKBTXQDHBBIV-UHFFFAOYSA-N	0	0	340.291	3.941	40	5		EHBBRN
O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(Br)c1	ZINC000005717265	564020698	/nfs/dbraw/zinc/02/06/98/564020698.db2.gz	ZGCDPKHDRQCCBS-UHFFFAOYSA-N	0	0	335.157	3.539	40	5		EHBBRN
CCC(=O)Nc1cc(N2CCCC[C@H]2C)c([N+](=O)[O-])cc1Cl	ZINC000045891870	564028756	/nfs/dbraw/zinc/02/87/56/564028756.db2.gz	ZOGAMBOXVVSESX-SNVBAGLBSA-N	0	0	325.796	3.976	40	5		EHBBRN
CCc1ccc([C@@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1	ZINC000224862438	564043850	/nfs/dbraw/zinc/04/38/50/564043850.db2.gz	FOAGKCGYCZBFPU-CYBMUJFWSA-N	0	0	348.424	3.505	40	5		EHBBRN
Cc1c(NC(=O)COc2ccc3c(c2)CCCC3)cccc1[N+](=O)[O-]	ZINC000223363725	564073048	/nfs/dbraw/zinc/07/30/48/564073048.db2.gz	RRZJBJKDURACDS-UHFFFAOYSA-N	0	0	340.379	3.800	40	5		EHBBRN
O=C(Nc1ccc2c(c1)Cc1c-2ccc([N+](=O)[O-])c1F)C(F)(F)F	ZINC000001598759	564081685	/nfs/dbraw/zinc/08/16/85/564081685.db2.gz	HMEWPRQFVAQGFR-UHFFFAOYSA-N	0	0	340.232	3.806	40	5		EHBBRN
CC[NH+](CC)Cc1cccc(C)c1OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001688823	564082280	/nfs/dbraw/zinc/08/22/80/564082280.db2.gz	IIRPXIICUJHJIB-UHFFFAOYSA-N	0	0	342.395	3.964	40	5		EHBBRN
COc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)cc1	ZINC000007641327	564121444	/nfs/dbraw/zinc/12/14/44/564121444.db2.gz	RORRXAKTTLYLQH-UHFFFAOYSA-N	0	0	345.336	3.572	40	5		EHBBRN
Cc1cc(C)nc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1	ZINC000006203182	564125777	/nfs/dbraw/zinc/12/57/77/564125777.db2.gz	UAZGSODEGMAQHA-UHFFFAOYSA-N	0	0	338.323	3.514	40	5		EHBBRN
CC(C)Oc1ccc(CCCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000010542347	564134657	/nfs/dbraw/zinc/13/46/57/564134657.db2.gz	LWRNBHBMQCSOHT-UHFFFAOYSA-N	0	0	342.395	3.745	40	5		EHBBRN
CCCOC(=O)c1cc(Cl)c(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000070462190	564136174	/nfs/dbraw/zinc/13/61/74/564136174.db2.gz	DCUNVRYERAMNCI-UHFFFAOYSA-N	0	0	326.780	3.805	40	5		EHBBRN
O=[N+]([O-])c1ccc(Nc2cc(Cl)nc(-c3ccncc3)n2)cc1	ZINC000329071082	564137691	/nfs/dbraw/zinc/13/76/91/564137691.db2.gz	ZMVZBTXSXQFEFV-UHFFFAOYSA-N	0	0	327.731	3.844	40	5		EHBBRN
O=[N+]([O-])c1ccc(-c2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1	ZINC000039407499	564167584	/nfs/dbraw/zinc/16/75/84/564167584.db2.gz	UKCUTFXQIFTHLG-UHFFFAOYSA-N	0	0	328.309	3.689	40	5		EHBBRN
O=C(OCCc1ccccn1)c1cc2c(ccc3ccccc32)oc1=O	ZINC000031904086	202211687	/nfs/dbraw/zinc/21/16/87/202211687.db2.gz	PDXOMEBEEQUFSD-UHFFFAOYSA-N	0	0	345.354	3.741	40	5		EHBBRN
O=[N+]([O-])c1ccc(OCc2ccc(Cl)c(Cl)c2)c(CO)c1	ZINC000035415006	213025942	/nfs/dbraw/zinc/02/59/42/213025942.db2.gz	XVAIAWZVUVEIAN-UHFFFAOYSA-N	0	0	328.151	3.973	40	5		EHBBRN
O=Cc1cn(C(=O)c2cc([N+](=O)[O-])ccc2Cl)c2ccccc12	ZINC000216959993	241227959	/nfs/dbraw/zinc/22/79/59/241227959.db2.gz	DXMNIYRBIURXLB-UHFFFAOYSA-N	0	0	328.711	3.704	40	5		EHBBRN
COc1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc1[N+](=O)[O-]	ZINC000000523236	201482507	/nfs/dbraw/zinc/48/25/07/201482507.db2.gz	NFMZMOUDFCWJAN-FZKQIMNGSA-N	0	0	332.400	3.644	40	5		EHBBRN
C[C@@](Br)([C@H](CC(=O)C1CC1)c1ccccc1)[N+](=O)[O-]	ZINC000001691980	201517607	/nfs/dbraw/zinc/51/76/07/201517607.db2.gz	XOEWBAHIMIWKFQ-OCCSQVGLSA-N	0	0	326.190	3.527	40	5		EHBBRN
CC(C)(Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000223849711	204440651	/nfs/dbraw/zinc/44/06/51/204440651.db2.gz	OCPHGOHHUQVHHS-UHFFFAOYSA-N	0	0	332.787	3.999	40	5		EHBBRN
NC(=O)c1cc([N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl	ZINC000226319102	205125360	/nfs/dbraw/zinc/12/53/60/205125360.db2.gz	CNOSFFGTIVLPJQ-UHFFFAOYSA-N	0	0	341.150	3.580	40	5		EHBBRN
COc1ccccc1CCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000218122991	537031283	/nfs/dbraw/zinc/03/12/83/537031283.db2.gz	FBQBUZZAOLZAEV-UHFFFAOYSA-N	0	0	348.786	3.619	40	5		EHBBRN
Cc1c(NC(=S)NCCCc2ccccc2)cccc1[N+](=O)[O-]	ZINC000408586386	563486390	/nfs/dbraw/zinc/48/63/90/563486390.db2.gz	OHRDBRNFUXYCCZ-UHFFFAOYSA-N	0	0	329.425	3.822	40	5		EHBBRN
COc1cc2c(cc1OC)C(c1ccc(Cl)cc1[N+](=O)[O-])=NCC2	ZINC000005512919	563536188	/nfs/dbraw/zinc/53/61/88/563536188.db2.gz	KGZZQIJCKXYNNJ-UHFFFAOYSA-N	0	0	346.770	3.659	40	5		EHBBRN
COc1c(O)c(CC=C(C)C)cc2c(=O)c3c(O)ccc(O)c3oc21	ZINC000014763077	563764064	/nfs/dbraw/zinc/76/40/64/563764064.db2.gz	XOFZQNNUVXEIJS-UHFFFAOYSA-N	0	0	342.347	3.580	40	5	endogenous,in-man	EHBBRN
COc1cc2oc3ccc(O)cc3c(=O)c2c(O)c1CC=C(C)C	ZINC000014819753	563765731	/nfs/dbraw/zinc/76/57/31/563765731.db2.gz	JKOMBLYQDHTFJC-UHFFFAOYSA-N	0	0	326.348	3.875	40	5	endogenous,in-man	EHBBRN
CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000072228669	563985914	/nfs/dbraw/zinc/98/59/14/563985914.db2.gz	UHGKSGQQHOIDQN-UHFFFAOYSA-N	0	0	343.339	3.935	40	5		EHBBRN
O=[N+]([O-])c1cnc(NCc2ccccc2)nc1NCc1ccccc1	ZINC000005518280	564004902	/nfs/dbraw/zinc/00/49/02/564004902.db2.gz	PXBDMTLMRFXTAG-UHFFFAOYSA-N	0	0	335.367	3.609	40	5		EHBBRN
O=C(CCc1cc(-c2ccccc2)n[nH]1)Nc1ccccc1[N+](=O)[O-]	ZINC000005647157	564006937	/nfs/dbraw/zinc/00/69/37/564006937.db2.gz	SPRNRYPFUYHXMJ-UHFFFAOYSA-N	0	0	336.351	3.556	40	5		EHBBRN
O=C1CS[C@H](c2c[nH]c3ccccc32)N1c1ccccc1[N+](=O)[O-]	ZINC000005847830	564056623	/nfs/dbraw/zinc/05/66/23/564056623.db2.gz	JNKVBTPMMLACOG-QGZVFWFLSA-N	0	0	339.376	3.855	40	5		EHBBRN
Cc1cc(C)c([C@H](C)NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1C	ZINC000223429139	564074209	/nfs/dbraw/zinc/07/42/09/564074209.db2.gz	DDMKJKZDHNSFGG-AWEZNQCLSA-N	0	0	348.424	3.560	40	5		EHBBRN
CC(C)(C)c1ccccc1OCCNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000223664595	564081743	/nfs/dbraw/zinc/08/17/43/564081743.db2.gz	DIXWVWVXNRMZCS-UHFFFAOYSA-N	0	0	342.395	3.701	40	5		EHBBRN
CC[C@H](C)Nc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(C2CC2)n1	ZINC000328969085	564082751	/nfs/dbraw/zinc/08/27/51/564082751.db2.gz	DCTKVLMXKGYKIM-NSHDSACASA-N	0	0	327.388	3.638	40	5		EHBBRN
Cc1ccc(OCCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl	ZINC000224117962	564087379	/nfs/dbraw/zinc/08/73/79/564087379.db2.gz	MQQIEYRRXJEYEW-UHFFFAOYSA-N	0	0	348.786	3.674	40	5		EHBBRN
CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COC	ZINC000224689872	564117652	/nfs/dbraw/zinc/11/76/52/564117652.db2.gz	IYXZBVGXJZCMSV-UHFFFAOYSA-N	0	0	344.367	3.701	40	5		EHBBRN
CN1C=Cc2ccccc2[C@@H]1C([C@@H]1c2ccccc2C=CN1C)[N+](=O)[O-]	ZINC000017378615	564120218	/nfs/dbraw/zinc/12/02/18/564120218.db2.gz	RQHSYOCXHKSIFH-WCRBZPEASA-N	0	0	347.418	3.947	40	5		EHBBRN
O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccnc1Cl	ZINC000003850823	564159473	/nfs/dbraw/zinc/15/94/73/564159473.db2.gz	UXRINQVPBCPFCH-UHFFFAOYSA-N	0	0	334.744	3.505	40	5		EHBBRN
CC(C)(Cc1ccccc1)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000224347753	568420725	/nfs/dbraw/zinc/42/07/25/568420725.db2.gz	YPGLQQMFXFUYJU-UHFFFAOYSA-N	0	0	332.787	3.999	40	5		EHBBRN
CC(C)c1ccccc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000020493795	202045920	/nfs/dbraw/zinc/04/59/20/202045920.db2.gz	YGFCUVKHBXEBSR-UHFFFAOYSA-N	0	0	334.397	3.660	40	5		EHBBRN
Cc1ccc2c(c1)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)CC(C)(C)O2	ZINC000217866011	241282168	/nfs/dbraw/zinc/28/21/68/241282168.db2.gz	ZYMUJYHGWLJDCM-MRXNPFEDSA-N	0	0	340.379	3.935	40	5		EHBBRN
COc1ccc(C(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)cc1[N+](=O)[O-]	ZINC000000523235	201482778	/nfs/dbraw/zinc/48/27/78/201482778.db2.gz	NFMZMOUDFCWJAN-UGSOOPFHSA-N	0	0	332.400	3.644	40	5		EHBBRN
Cc1cc(C(=O)NCCOc2ccccc2C(C)C)ccc1[N+](=O)[O-]	ZINC000223748091	241687188	/nfs/dbraw/zinc/68/71/88/241687188.db2.gz	CQDGAPIWZASJDX-UHFFFAOYSA-N	0	0	342.395	3.835	40	5		EHBBRN
C[C@@H](CCc1ccccc1)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000225991825	242084539	/nfs/dbraw/zinc/08/45/39/242084539.db2.gz	PSCJQUWCOYKXGR-HNNXBMFYSA-N	0	0	338.407	3.764	40	5		EHBBRN
COc1ccccc1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000006309451	206513610	/nfs/dbraw/zinc/51/36/10/206513610.db2.gz	BGUYPFWACABRIR-SNVBAGLBSA-N	0	0	334.759	3.748	40	5		EHBBRN
Cc1nc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc2c1CCCC2	ZINC000409274392	257873041	/nfs/dbraw/zinc/87/30/41/257873041.db2.gz	WOYAIGIYQUBXGP-UHFFFAOYSA-N	0	0	346.368	3.631	40	5		EHBBRN
CCOc1cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OC	ZINC000408623395	257893794	/nfs/dbraw/zinc/89/37/94/257893794.db2.gz	SZZOLVVJASRSSL-UHFFFAOYSA-N	0	0	330.340	3.563	40	5		EHBBRN
COc1ccc(Cl)cc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000225991273	536570649	/nfs/dbraw/zinc/57/06/49/536570649.db2.gz	XFJFYOHIMUNGHC-UHFFFAOYSA-N	0	0	346.770	3.927	40	5		EHBBRN
Cc1ccc(-c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)nn2)cc1C	ZINC000408528897	563993157	/nfs/dbraw/zinc/99/31/57/563993157.db2.gz	LYZXFZXDQKGJOF-UHFFFAOYSA-N	0	0	349.346	3.888	40	5		EHBBRN
CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000044901427	564027547	/nfs/dbraw/zinc/02/75/47/564027547.db2.gz	HCEZTHPZVZNZSU-HNNXBMFYSA-N	0	0	348.330	3.539	40	5		EHBBRN
COc1cccc(OCCNc2ccc([N+](=O)[O-])c3cccnc23)c1	ZINC000045733437	564028644	/nfs/dbraw/zinc/02/86/44/564028644.db2.gz	XJYYZQHQINGXOE-UHFFFAOYSA-N	0	0	339.351	3.643	40	5		EHBBRN
Cc1cc(C)c(NC(=O)CSc2ccc([N+](=O)[O-])cn2)c(C)c1	ZINC000033853774	564050218	/nfs/dbraw/zinc/05/02/18/564050218.db2.gz	PMSYUUVQBWFHQJ-UHFFFAOYSA-N	0	0	331.397	3.646	40	5		EHBBRN
CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1C	ZINC000223109210	564063151	/nfs/dbraw/zinc/06/31/51/564063151.db2.gz	ZBCGLSPQYKVLFZ-UHFFFAOYSA-N	0	0	330.340	3.563	40	5		EHBBRN
C[C@]1(O)C[C@H](c2ccccc2)[C@@H]([N+](=O)[O-])[C@H](c2ccc(Cl)cc2)O1	ZINC000016248866	564081151	/nfs/dbraw/zinc/08/11/51/564081151.db2.gz	BPUNLHLUXPSBJD-ZJPYXAASSA-N	0	0	347.798	3.939	40	5		EHBBRN
CC1(C)C[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2O1	ZINC000121753029	564081843	/nfs/dbraw/zinc/08/18/43/564081843.db2.gz	RHJGOGHBZVGPMD-HNNXBMFYSA-N	0	0	340.379	3.556	40	5		EHBBRN
CP(=O)(Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1	ZINC000001697684	564082685	/nfs/dbraw/zinc/08/26/85/564082685.db2.gz	SDAYVSWWJWIHPP-UHFFFAOYSA-N	0	0	338.212	3.784	40	5		EHBBRN
C[NH+](C)Cc1ccccc1COC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000001716138	564082867	/nfs/dbraw/zinc/08/28/67/564082867.db2.gz	NRHUULNDYKPZJX-UHFFFAOYSA-N	0	0	348.786	3.667	40	5		EHBBRN
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(N2CCCCC2)cc1	ZINC000007504985	564126769	/nfs/dbraw/zinc/12/67/69/564126769.db2.gz	VJRHOVQZCFJNPU-UHFFFAOYSA-N	0	0	325.368	3.837	40	5		EHBBRN
COc1ccccc1N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1	ZINC000008055226	564162393	/nfs/dbraw/zinc/16/23/93/564162393.db2.gz	LZSGVYRVXQSGAA-UHFFFAOYSA-N	0	0	347.802	3.583	40	5		EHBBRN
Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1	ZINC000008477942	564165408	/nfs/dbraw/zinc/16/54/08/564165408.db2.gz	UBDLYYLTAXEKFH-AWEZNQCLSA-N	0	0	328.368	3.926	40	5		EHBBRN
Cc1ccc(C)c(OCc2nc(-c3ccc([N+](=O)[O-])c(C)c3)n[nH]2)c1	ZINC000040169703	564168456	/nfs/dbraw/zinc/16/84/56/564168456.db2.gz	LGCOTOFTCJDYPK-UHFFFAOYSA-N	0	0	338.367	3.884	40	5		EHBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)COc1cc(C)cc(C)c1C	ZINC000040868618	564172387	/nfs/dbraw/zinc/17/23/87/564172387.db2.gz	ITCZXZGMXRKESX-UHFFFAOYSA-N	0	0	344.367	3.546	40	5		EHBBRN
Cc1ccc(CCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000013670659	201906998	/nfs/dbraw/zinc/90/69/98/201906998.db2.gz	JMZIVMUNHSUUCQ-UHFFFAOYSA-N	0	0	332.787	3.919	40	5		EHBBRN
O=[N+]([O-])c1cccc(C2=NSC3=NCC(C4CCCCC4)=NN23)c1	ZINC000028534619	202172519	/nfs/dbraw/zinc/17/25/19/202172519.db2.gz	HHGLSFQYUZLNLM-UHFFFAOYSA-N	0	0	343.412	3.611	40	5		EHBBRN
CC(C)c1ccc(C(=O)N2CCN=Cc3cc([N+](=O)[O-])ccc32)cc1	ZINC000073642282	202369698	/nfs/dbraw/zinc/36/96/98/202369698.db2.gz	BXVKSARYBNLADN-UHFFFAOYSA-N	0	0	337.379	3.798	40	5		EHBBRN
C[C@@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1	ZINC000216319363	241182595	/nfs/dbraw/zinc/18/25/95/241182595.db2.gz	KJSDUPAGUMQKAR-GFCCVEGCSA-N	0	0	348.399	3.845	40	5		EHBBRN
O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2cccc(Cl)c2oc1=O	ZINC000226040102	242088248	/nfs/dbraw/zinc/08/82/48/242088248.db2.gz	SNRCVCHZBGNJQS-UHFFFAOYSA-N	0	0	344.710	3.607	40	5		EHBBRN
Cc1ccc(/C=C2/N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1	ZINC000000027855	205396637	/nfs/dbraw/zinc/39/66/37/205396637.db2.gz	DIHFPAJQIMYTFT-RIYZIHGNSA-N	0	0	342.738	3.901	40	5		EHBBRN
O=[N+]([O-])c1ccc(COc2c(Cl)cc(Cl)cc2CO)cc1	ZINC000035121857	257855384	/nfs/dbraw/zinc/85/53/84/257855384.db2.gz	XTCSLTPTPZSXKC-UHFFFAOYSA-N	0	0	328.151	3.973	40	5		EHBBRN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)c1	ZINC000113883425	257859647	/nfs/dbraw/zinc/85/96/47/257859647.db2.gz	ZALQKHUWCPMCJO-UHFFFAOYSA-N	0	0	347.179	3.702	40	5		EHBBRN
O=[N+]([O-])c1ccc(NCCOc2ccc(F)cc2)c2ncccc12	ZINC000026775999	262502269	/nfs/dbraw/zinc/50/22/69/262502269.db2.gz	VJXNEXNBDCSKRY-UHFFFAOYSA-N	0	0	327.315	3.773	40	5		EHBBRN
COc1cccc(CCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000013668665	563931685	/nfs/dbraw/zinc/93/16/85/563931685.db2.gz	RABXBXKHKMHVRN-UHFFFAOYSA-N	0	0	348.786	3.619	40	5		EHBBRN
Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000055693273	563970243	/nfs/dbraw/zinc/97/02/43/563970243.db2.gz	FTTAFSVHSPCORL-GFCCVEGCSA-N	0	0	348.786	3.754	40	5		EHBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2)n1-c1ccccc1	ZINC000408573518	563993458	/nfs/dbraw/zinc/99/34/58/563993458.db2.gz	TUGVAVGOSQSOAV-INIZCTEOSA-N	0	0	340.408	3.686	40	5		EHBBRN
COC(=O)c1ccc(C(=O)Nc2ccc(C(C)C)cc2[N+](=O)[O-])cc1	ZINC000005231101	564001398	/nfs/dbraw/zinc/00/13/98/564001398.db2.gz	QPCCEQZKGPJIJE-UHFFFAOYSA-N	0	0	342.351	3.757	40	5		EHBBRN
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1c(Cl)cccc1Cl	ZINC000005679993	564014143	/nfs/dbraw/zinc/01/41/43/564014143.db2.gz	AKPQVIGWJFRQQT-UHFFFAOYSA-N	0	0	347.179	3.702	40	5		EHBBRN
CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1C	ZINC000044840986	564027300	/nfs/dbraw/zinc/02/73/00/564027300.db2.gz	CHLNKPALBAAILY-KRWDZBQOSA-N	0	0	344.367	3.708	40	5		EHBBRN
C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccccc2[N+](=O)[O-])S1	ZINC000222560872	564054165	/nfs/dbraw/zinc/05/41/65/564054165.db2.gz	DRGKMQAIXPBART-RLCCDNCMSA-N	0	0	340.408	3.579	40	5		EHBBRN
Cc1cccc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1	ZINC000006450785	564087725	/nfs/dbraw/zinc/08/77/25/564087725.db2.gz	SWDLDNYQAOXKNS-NSHDSACASA-N	0	0	334.759	3.963	40	5		EHBBRN
CCOC(=O)c1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1	ZINC000010446221	564134637	/nfs/dbraw/zinc/13/46/37/564134637.db2.gz	GAMBWGVODKKOKF-UHFFFAOYSA-N	0	0	342.351	3.641	40	5		EHBBRN
O=[N+]([O-])c1cc(C(F)(F)F)cnc1NCc1ccc(F)c(F)c1	ZINC000039956822	213245627	/nfs/dbraw/zinc/24/56/27/213245627.db2.gz	NJXUNFACVNTRSK-UHFFFAOYSA-N	0	0	333.216	3.899	40	5		EHBBRN
CCOC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)c(Cl)c1	ZINC000020459706	202044553	/nfs/dbraw/zinc/04/45/53/202044553.db2.gz	FKWPYPAGQCNFBI-UHFFFAOYSA-N	0	0	348.742	3.677	40	5		EHBBRN
O=C(CSc1nncc2ccccc21)c1cc([N+](=O)[O-])cs1	ZINC000036627037	202328389	/nfs/dbraw/zinc/32/83/89/202328389.db2.gz	NZHQIHXPPMLIRF-UHFFFAOYSA-N	0	0	331.378	3.575	40	5		EHBBRN
Cc1cccc(C(=O)n2cccc/c2=N\C2CCCCC2)c1[N+](=O)[O-]	ZINC000023076372	212346189	/nfs/dbraw/zinc/34/61/89/212346189.db2.gz	NJIHAYQGFPRCFL-LVZFUZTISA-N	0	0	339.395	3.627	40	5		EHBBRN
COc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000022509960	212302510	/nfs/dbraw/zinc/30/25/10/212302510.db2.gz	VQJDSQLWYBNWDQ-JTQLQIEISA-N	0	0	334.759	3.748	40	5		EHBBRN
O=Cc1cc([N+](=O)[O-])ccc1OCc1cccc(Br)c1	ZINC000022030897	212273281	/nfs/dbraw/zinc/27/32/81/212273281.db2.gz	LJIBWGIAKKGMHR-UHFFFAOYSA-N	0	0	336.141	3.749	40	5		EHBBRN
Cc1c(CO)c2ccccc2n1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000216960326	241227092	/nfs/dbraw/zinc/22/70/92/241227092.db2.gz	XQNGOUJEYFNDJM-UHFFFAOYSA-N	0	0	344.754	3.692	40	5		EHBBRN
Nc1nc(-c2ccccc2)c2c(-c3ccc([N+](=O)[O-])cc3)ccnn12	ZINC000226075379	242087041	/nfs/dbraw/zinc/08/70/41/242087041.db2.gz	YCSCTMAUGOIKEJ-UHFFFAOYSA-N	0	0	331.335	3.554	40	5		EHBBRN
O=C1S/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1c1cccc(O)c1	ZINC000005376238	201649003	/nfs/dbraw/zinc/64/90/03/201649003.db2.gz	DQOFLCSTLDSVOU-ZSOIEALJSA-N	0	0	342.332	3.541	40	5		EHBBRN
CCc1ccc(NCCc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1	ZINC000062719414	257690665	/nfs/dbraw/zinc/69/06/65/257690665.db2.gz	BJOKGKZYXHRUSX-UHFFFAOYSA-N	0	0	337.383	3.597	40	5		EHBBRN
Cc1ccc(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000019162974	257857035	/nfs/dbraw/zinc/85/70/35/257857035.db2.gz	UGAXMTJGPRIGPV-LLVKDONJSA-N	0	0	334.759	3.963	40	5		EHBBRN
Cc1ccccc1C1=N/C(=C\C=C\c2ccc([N+](=O)[O-])cc2)C(=O)O1	ZINC000005549113	563538425	/nfs/dbraw/zinc/53/84/25/563538425.db2.gz	PEEMWKNWLOZBBD-QVOHYOOSSA-N	0	0	334.331	3.804	40	5		EHBBRN
CC[C@@H](C)n1c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2n([C@@H](C)CC)c1=O	ZINC000059639386	563645613	/nfs/dbraw/zinc/64/56/13/563645613.db2.gz	MTRPHESKOKPZRO-AOOOYVTPSA-N	0	0	336.348	3.561	40	5		EHBBRN
CC[C@@H](C)n1c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2n([C@H](C)CC)c1=O	ZINC000059639395	563645670	/nfs/dbraw/zinc/64/56/70/563645670.db2.gz	MTRPHESKOKPZRO-NXEZZACHSA-N	0	0	336.348	3.561	40	5		EHBBRN
CC(C)COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000004416039	563687663	/nfs/dbraw/zinc/68/76/63/563687663.db2.gz	AAAQDKZLONIINS-UHFFFAOYSA-N	0	0	342.351	3.660	40	5		EHBBRN
CC(=O)Nc1ccc(-c2nc3c(ccc([N+](=O)[O-])c3Cl)[nH]2)cc1	ZINC000000235504	563989020	/nfs/dbraw/zinc/98/90/20/563989020.db2.gz	DMGITGMFBVXUPB-UHFFFAOYSA-N	0	0	330.731	3.750	40	5		EHBBRN
O=c1c2ccccc2c(-c2ccccc2)nn1-c1ccc([N+](=O)[O-])cc1	ZINC000000353410	563991509	/nfs/dbraw/zinc/99/15/09/563991509.db2.gz	NYELGOLMOADWJG-UHFFFAOYSA-N	0	0	343.342	3.961	40	5		EHBBRN
COc1ccc(OC)c([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)c1	ZINC000408567773	563993468	/nfs/dbraw/zinc/99/34/68/563993468.db2.gz	HIZNFBRTDNUZJB-MRXNPFEDSA-N	0	0	326.352	3.594	40	5		EHBBRN
COc1ccc2oc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC)cc2c1	ZINC000409187128	563994309	/nfs/dbraw/zinc/99/43/09/563994309.db2.gz	MLNPPWMZALSYPS-UHFFFAOYSA-N	0	0	342.307	3.611	40	5		EHBBRN
C[C@](Br)([C@H](CC(=O)C1CC1)c1ccccc1)[N+](=O)[O-]	ZINC000001691981	564082679	/nfs/dbraw/zinc/08/26/79/564082679.db2.gz	XOEWBAHIMIWKFQ-TZMCWYRMSA-N	0	0	326.190	3.527	40	5		EHBBRN
COc1ccc2[nH]c(Sc3ccc(C(C)=O)cc3[N+](=O)[O-])nc2c1	ZINC000006419536	564085630	/nfs/dbraw/zinc/08/56/30/564085630.db2.gz	ODHWKPGQBFPBFI-UHFFFAOYSA-N	0	0	343.364	3.834	40	5		EHBBRN
CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(OC)cc1	ZINC000020110250	202033162	/nfs/dbraw/zinc/03/31/62/202033162.db2.gz	GRHXJEDPAOMFOJ-INIZCTEOSA-N	0	0	328.368	3.793	40	5		EHBBRN
Cc1cccc(O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1C	ZINC000020111090	202033437	/nfs/dbraw/zinc/03/34/37/202033437.db2.gz	ARNZSBIAMKDQMD-CQSZACIVSA-N	0	0	328.368	3.926	40	5		EHBBRN
CC(C)Oc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000020488532	202045202	/nfs/dbraw/zinc/04/52/02/202045202.db2.gz	HWTKFORYVMSSFN-UHFFFAOYSA-N	0	0	348.786	3.965	40	5		EHBBRN
O=C1CCCc2nn(-c3ccccc3)c(-c3cccc([N+](=O)[O-])c3)c21	ZINC000020674306	202052902	/nfs/dbraw/zinc/05/29/02/202052902.db2.gz	VFOCGOVXHMHQPG-UHFFFAOYSA-N	0	0	333.347	3.967	40	5		EHBBRN
CCOC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	ZINC000073640237	202370250	/nfs/dbraw/zinc/37/02/50/202370250.db2.gz	DLCKGDSSROMNDF-UHFFFAOYSA-N	0	0	340.129	3.794	40	5		EHBBRN
CCOC(=O)/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	ZINC000216887667	241218261	/nfs/dbraw/zinc/21/82/61/241218261.db2.gz	UDWHFUYKIAKYPO-KPKJPENVSA-N	0	0	327.336	3.750	40	5		EHBBRN
Cc1ccc(OC[C@@H](C)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1	ZINC000217894622	241280404	/nfs/dbraw/zinc/28/04/04/241280404.db2.gz	YYVJPYBDBQWJAH-CUXKMMBLSA-N	0	0	340.379	3.500	40	5		EHBBRN
Cc1cc(C)cc(OCC(=O)Nc2c(C)cc([N+](=O)[O-])cc2C)c1	ZINC000072228815	203184570	/nfs/dbraw/zinc/18/45/70/203184570.db2.gz	VKRNNMZNMFMDCO-UHFFFAOYSA-N	0	0	328.368	3.846	40	5		EHBBRN
COc1ccc(Nc2nc3ccccc3nc2Cl)c([N+](=O)[O-])c1	ZINC000059953409	563745604	/nfs/dbraw/zinc/74/56/04/563745604.db2.gz	DVPQHOWXZLFVLS-UHFFFAOYSA-N	0	0	330.731	3.944	40	5		EHBBRN
Cc1cc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)ccc1[N+](=O)[O-]	ZINC000014258451	563983784	/nfs/dbraw/zinc/98/37/84/563983784.db2.gz	GMJUJAXUFAUOAJ-UHFFFAOYSA-N	0	0	341.367	3.750	40	5		EHBBRN
CC[C@H](Oc1ccccc1OC)C(=O)Nc1cc([N+](=O)[O-])ccc1C	ZINC000008041696	563995497	/nfs/dbraw/zinc/99/54/97/563995497.db2.gz	QWKAHUQCRTYYGC-HNNXBMFYSA-N	0	0	344.367	3.708	40	5		EHBBRN
Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1[N+](=O)[O-]	ZINC000005541207	564005187	/nfs/dbraw/zinc/00/51/87/564005187.db2.gz	DUVSKMYIBIEJES-UHFFFAOYSA-N	0	0	335.703	3.717	40	5		EHBBRN
CC(C)Oc1cccc(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1	ZINC000046664259	564017549	/nfs/dbraw/zinc/01/75/49/564017549.db2.gz	FKJQDQKQHLDUOK-MDZDMXLPSA-N	0	0	340.379	3.712	40	5		EHBBRN
C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCCC2	ZINC000015092306	564053656	/nfs/dbraw/zinc/05/36/56/564053656.db2.gz	BSZINVSKVKRHIK-AWEZNQCLSA-N	0	0	338.407	3.894	40	5		EHBBRN
O=C1S/C(=C\c2ccsc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1	ZINC000001166659	564054583	/nfs/dbraw/zinc/05/45/83/564054583.db2.gz	HYAGRUQQCBWRHQ-QPEQYQDCSA-N	0	0	346.389	3.893	40	5		EHBBRN
Cc1ccc(S(=O)(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1	ZINC000006502223	564112432	/nfs/dbraw/zinc/11/24/32/564112432.db2.gz	NRNNHKYAKLUYSK-UHFFFAOYSA-N	0	0	340.788	3.666	40	5		EHBBRN
C[P@@](=O)(Nc1ccccc1[N+](=O)[O-])c1nc2c(s1)CCCC2	ZINC000016778569	564113293	/nfs/dbraw/zinc/11/32/93/564113293.db2.gz	SGFDJFIGKCWDIG-NRFANRHFSA-N	0	0	337.341	3.575	40	5		EHBBRN
O=[N+]([O-])c1ccc(N2CCOCC2)c(-c2nc3ccccc3s2)c1	ZINC000007099499	564126601	/nfs/dbraw/zinc/12/66/01/564126601.db2.gz	ASVWLUITASNIFR-UHFFFAOYSA-N	0	0	341.392	3.708	40	5		EHBBRN
Cc1ccc(C)c([C@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1	ZINC000010543938	564134644	/nfs/dbraw/zinc/13/46/44/564134644.db2.gz	WYYBPBPVTZCGAS-AWEZNQCLSA-N	0	0	348.424	3.560	40	5		EHBBRN
CCOC(=O)c1ccc(-n2cnc(-c3ccc([N+](=O)[O-])cc3)c2)cc1	ZINC000013214984	564136124	/nfs/dbraw/zinc/13/61/24/564136124.db2.gz	CVPPZTGNUVRJHE-UHFFFAOYSA-N	0	0	337.335	3.624	40	5		EHBBRN
CC[C@@H](C)Nc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(C2CC2)n1	ZINC000328969084	564137505	/nfs/dbraw/zinc/13/75/05/564137505.db2.gz	DCTKVLMXKGYKIM-LLVKDONJSA-N	0	0	327.388	3.638	40	5		EHBBRN
CCOc1cccc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000030864701	564158001	/nfs/dbraw/zinc/15/80/01/564158001.db2.gz	DFGPGXZAWZDMGC-UHFFFAOYSA-N	0	0	334.759	3.577	40	5		EHBBRN
Cc1ccc(O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C	ZINC000008041240	564162350	/nfs/dbraw/zinc/16/23/50/564162350.db2.gz	IKCCWLQXPYHHQG-CQSZACIVSA-N	0	0	328.368	3.926	40	5		EHBBRN
Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1	ZINC000008480828	564165405	/nfs/dbraw/zinc/16/54/05/564165405.db2.gz	BEBZRWDYCLQKMT-AWEZNQCLSA-N	0	0	328.368	3.926	40	5		EHBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1cccc(C)c1C	ZINC000030852617	202199465	/nfs/dbraw/zinc/19/94/65/202199465.db2.gz	OGYSGSMAAWHYTP-ZDUSSCGKSA-N	0	0	344.367	3.626	40	5		EHBBRN
NC(=O)c1cc([N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1	ZINC000226327708	205129543	/nfs/dbraw/zinc/12/95/43/205129543.db2.gz	JNENLUAXBIBJFX-UHFFFAOYSA-N	0	0	341.150	3.580	40	5		EHBBRN
CC(C)CCNc1nc(Cl)nc(Nc2cccc([N+](=O)[O-])c2)n1	ZINC000199800700	257844318	/nfs/dbraw/zinc/84/43/18/257844318.db2.gz	HDHXPTFFKDTKQF-UHFFFAOYSA-N	0	0	336.783	3.635	40	5		EHBBRN
C[C@@H]1CCCCN1c1c(Br)c(N)c(Cl)cc1[N+](=O)[O-]	ZINC000045891261	135603620	/nfs/dbraw/zinc/60/36/20/135603620.db2.gz	SODWVWUKCHQROH-SSDOTTSWSA-N	0	0	348.628	3.972	40	5		EHBBRN
CC(C)(C)OC(=O)N1CCC(Oc2cccc(F)c2[N+](=O)[O-])CC1	ZINC000067800808	563976262	/nfs/dbraw/zinc/97/62/62/563976262.db2.gz	AZXYSBROMBQWNC-UHFFFAOYSA-N	0	0	340.351	3.512	40	5		EHBBRN
CCCCc1nc2c(ncc(N)c2C)n1Cc1cccc([N+](=O)[O-])c1	ZINC000004832090	563983921	/nfs/dbraw/zinc/98/39/21/563983921.db2.gz	BTQXCOHNIKFDOE-UHFFFAOYSA-N	0	0	339.399	3.621	40	5		EHBBRN
C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000014401972	563984108	/nfs/dbraw/zinc/98/41/08/563984108.db2.gz	GLNXPPSJNPXGTO-SECBINFHSA-N	0	0	338.722	3.793	40	5		EHBBRN
CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1C	ZINC000408703103	563993663	/nfs/dbraw/zinc/99/36/63/563993663.db2.gz	NCEXCCBJADFHJV-KRWDZBQOSA-N	0	0	344.367	3.708	40	5		EHBBRN
CN(C(=O)Sc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	ZINC000005064976	563994111	/nfs/dbraw/zinc/99/41/11/563994111.db2.gz	UEPXNTKMQSQWJH-UHFFFAOYSA-N	0	0	333.325	3.852	40	5		EHBBRN
COc1ccc2oc(C(=O)Nc3ccc(C)cc3[N+](=O)[O-])cc2c1	ZINC000409187409	563994299	/nfs/dbraw/zinc/99/42/99/563994299.db2.gz	QCDQYJXWAIJFRO-UHFFFAOYSA-N	0	0	326.308	3.910	40	5		EHBBRN
Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1	ZINC000005590322	564001919	/nfs/dbraw/zinc/00/19/19/564001919.db2.gz	POZGTLVFUDPHKX-UHFFFAOYSA-N	0	0	326.381	3.776	40	5		EHBBRN
CCN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O	ZINC000005552309	564005325	/nfs/dbraw/zinc/00/53/25/564005325.db2.gz	KXNYTNTVDZERNJ-NTEUORMPSA-N	0	0	344.348	3.911	40	5		EHBBRN
Cc1c(C(=O)NCCOc2ccccc2C(C)C)cccc1[N+](=O)[O-]	ZINC000223744552	564081918	/nfs/dbraw/zinc/08/19/18/564081918.db2.gz	UYPCGUHSDNFQKZ-UHFFFAOYSA-N	0	0	342.395	3.835	40	5		EHBBRN
Cc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1[N+](=O)[O-]	ZINC000007319203	564106609	/nfs/dbraw/zinc/10/66/09/564106609.db2.gz	DTODCLCMWYAASS-UHFFFAOYSA-N	0	0	340.364	3.674	40	5		EHBBRN
Cc1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)o1	ZINC000214891367	564120696	/nfs/dbraw/zinc/12/06/96/564120696.db2.gz	QWIRURGMUZDCMR-RIYZIHGNSA-N	0	0	344.348	3.733	40	5		EHBBRN
S=C(NCc1ccco1)Nc1ccc2nc3ccccc3nc2c1	ZINC000006616540	564126116	/nfs/dbraw/zinc/12/61/16/564126116.db2.gz	WXSQOMKKXNNOIJ-UHFFFAOYSA-N	0	0	334.404	3.863	40	5		EHBBRN
CCc1cccc(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000007363420	564126629	/nfs/dbraw/zinc/12/66/29/564126629.db2.gz	ZXFGFFCBBQDETB-UHFFFAOYSA-N	0	0	334.397	3.575	40	5		EHBBRN
CCc1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1	ZINC000010333775	564127787	/nfs/dbraw/zinc/12/77/87/564127787.db2.gz	DBYYZLDRYVNGIH-UHFFFAOYSA-N	0	0	328.368	3.737	40	5		EHBBRN
CC(C)(C)OC(=O)N1CCC(Nc2c(F)cccc2[N+](=O)[O-])CC1	ZINC000067800469	564134882	/nfs/dbraw/zinc/13/48/82/564134882.db2.gz	VASJOGPIWPFMGH-UHFFFAOYSA-N	0	0	339.367	3.545	40	5		EHBBRN
COc1cc(OCC(=O)Nc2ccccc2C(C)C)ccc1[N+](=O)[O-]	ZINC000066013613	215003802	/nfs/dbraw/zinc/00/38/02/215003802.db2.gz	IYXYPOAQBGMNPW-UHFFFAOYSA-N	0	0	344.367	3.744	40	5		EHBBRN
CC(C)(C)OC(=O)N1CCC(Oc2ccc(F)cc2[N+](=O)[O-])CC1	ZINC000067800620	215215599	/nfs/dbraw/zinc/21/55/99/215215599.db2.gz	DNDAYDPLOSAGIA-UHFFFAOYSA-N	0	0	340.351	3.512	40	5		EHBBRN
O=[N+]([O-])c1c(Br)ccnc1NCc1ccccc1F	ZINC000039956657	213245783	/nfs/dbraw/zinc/24/57/83/213245783.db2.gz	ABQVCOZDIUSYCZ-UHFFFAOYSA-N	0	0	326.125	3.504	40	5		EHBBRN
Cc1cc(C)c(C)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1	ZINC000218966149	241355854	/nfs/dbraw/zinc/35/58/54/241355854.db2.gz	JIDRYABTCHCWQE-UHFFFAOYSA-N	0	0	328.368	3.846	40	5		EHBBRN
CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000020481873	212136541	/nfs/dbraw/zinc/13/65/41/212136541.db2.gz	CJCZQIUJTNMUPV-MRXNPFEDSA-N	0	0	332.331	3.838	40	5		EHBBRN
O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1ccc([N+](=O)[O-])cc1	ZINC000021577108	257855829	/nfs/dbraw/zinc/85/58/29/257855829.db2.gz	GWXOVPJXYHSXGN-UHFFFAOYSA-N	0	0	343.358	3.977	40	5		EHBBRN
O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1cccc([N+](=O)[O-])c1	ZINC000020140865	257912958	/nfs/dbraw/zinc/91/29/58/257912958.db2.gz	ILIWUWWPQBAIQH-UHFFFAOYSA-N	0	0	338.319	3.599	40	5		EHBBRN
O=c1c(Cl)c(Cl)c(=O)c2sc3cc(Cl)ccc3[nH]c1=2	ZINC000001568360	563392891	/nfs/dbraw/zinc/39/28/91/563392891.db2.gz	HYUMDPDNCXJVQD-UHFFFAOYSA-N	0	0	332.595	3.635	40	5		EHBBRN
COc1cc(OC)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1	ZINC000005512272	563536200	/nfs/dbraw/zinc/53/62/00/563536200.db2.gz	WTQZOWRPXOPVBG-UHFFFAOYSA-N	0	0	336.731	3.518	40	5		EHBBRN
O=C(NCc1cccs1)c1cc2c(ccc3ccccc32)oc1=O	ZINC000036627507	563920379	/nfs/dbraw/zinc/92/03/79/563920379.db2.gz	KFRCZMRGXUWBTH-UHFFFAOYSA-N	0	0	335.384	3.938	40	5		EHBBRN
O=C1C[C@@H](c2ccc(Cl)cc2)C=C(c2ccc([N+](=O)[O-])cc2)N1	ZINC000044137986	563981697	/nfs/dbraw/zinc/98/16/97/563981697.db2.gz	OFRVMQQOHMYWPT-ZDUSSCGKSA-N	0	0	328.755	3.893	40	5		EHBBRN
COc1ccc(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1Cl	ZINC000014258199	563983803	/nfs/dbraw/zinc/98/38/03/563983803.db2.gz	QDENIYYRDILNKX-UHFFFAOYSA-N	0	0	336.731	3.518	40	5		EHBBRN
Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)COc1ccc(Cl)cc1	ZINC000072228827	563985920	/nfs/dbraw/zinc/98/59/20/563985920.db2.gz	ICNVAPMUTDXRNB-UHFFFAOYSA-N	0	0	334.759	3.883	40	5		EHBBRN
COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OC(F)F	ZINC000408544208	563993417	/nfs/dbraw/zinc/99/34/17/563993417.db2.gz	UCDPVGNXGPVVAA-GQCTYLIASA-N	0	0	326.255	3.672	40	5		EHBBRN
CCOc1ccc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc1OC	ZINC000408573635	563993459	/nfs/dbraw/zinc/99/34/59/563993459.db2.gz	TZEKKOUCVVTWCL-MRXNPFEDSA-N	0	0	340.379	3.984	40	5		EHBBRN
O=C(/N=c1/oc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccccc1	ZINC000005601143	564006261	/nfs/dbraw/zinc/00/62/61/564006261.db2.gz	QXGRTMHBMZPJLC-MSUUIHNZSA-N	0	0	326.333	3.657	40	5		EHBBRN
S=C(Nc1cccnc1)Nc1cc2cccnc2c2cccnc12	ZINC000408974287	564008488	/nfs/dbraw/zinc/00/84/88/564008488.db2.gz	DUYOHFLMIJPYPW-UHFFFAOYSA-N	0	0	331.404	3.987	40	5		EHBBRN
Cc1cc(C(=O)Nc2ccccc2Br)ccc1[N+](=O)[O-]	ZINC000000514176	564020040	/nfs/dbraw/zinc/02/00/40/564020040.db2.gz	UVGUABYMUXQVEV-UHFFFAOYSA-N	0	0	335.157	3.918	40	5		EHBBRN
O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000000557494	564022838	/nfs/dbraw/zinc/02/28/38/564022838.db2.gz	ZOCLXWMUHZYXOY-UHFFFAOYSA-N	0	0	344.710	3.607	40	5		EHBBRN
O=C(Nc1ccc2oc(=O)ccc2c1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000000557345	564022853	/nfs/dbraw/zinc/02/28/53/564022853.db2.gz	ZGSNRTHVVWUMOP-UHFFFAOYSA-N	0	0	344.710	3.607	40	5		EHBBRN
CC(C)C(=O)Nc1cccc(C(=O)OCc2cccc([N+](=O)[O-])c2)c1	ZINC000000578974	564023566	/nfs/dbraw/zinc/02/35/66/564023566.db2.gz	LLXGNQBVRCHLDE-UHFFFAOYSA-N	0	0	342.351	3.546	40	5		EHBBRN
C[C@H]1CCCCN1c1c(Br)c(N)c(Cl)cc1[N+](=O)[O-]	ZINC000045891265	564028773	/nfs/dbraw/zinc/02/87/73/564028773.db2.gz	SODWVWUKCHQROH-ZETCQYMHSA-N	0	0	348.628	3.972	40	5		EHBBRN
O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc([N+](=O)[O-])cc1Cl	ZINC000006220297	564082929	/nfs/dbraw/zinc/08/29/29/564082929.db2.gz	HAHDHPRSYGIWQF-UHFFFAOYSA-N	0	0	334.803	3.947	40	5		EHBBRN
C[P@](=O)(Nc1ccccc1[N+](=O)[O-])c1nc2c(s1)CCCC2	ZINC000016778571	564113290	/nfs/dbraw/zinc/11/32/90/564113290.db2.gz	SGFDJFIGKCWDIG-OAQYLSRUSA-N	0	0	337.341	3.575	40	5		EHBBRN
Cc1ccccc1NC(=O)c1cnc(-c2cccc([N+](=O)[O-])c2)nc1	ZINC000107596676	564128689	/nfs/dbraw/zinc/12/86/89/564128689.db2.gz	BAHQKYNGUDKIRI-UHFFFAOYSA-N	0	0	334.335	3.613	40	5		EHBBRN
CCNc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(-c2ccccc2)n1	ZINC000329036398	564137635	/nfs/dbraw/zinc/13/76/35/564137635.db2.gz	RIEIGZNFQIZMPH-UHFFFAOYSA-N	0	0	335.367	3.649	40	5		EHBBRN
COCc1cccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1	ZINC000223408943	241646788	/nfs/dbraw/zinc/64/67/88/241646788.db2.gz	FFAJEHSSZIQAFI-UHFFFAOYSA-N	0	0	346.408	3.613	40	5		EHBBRN
CCc1ccc([C@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1	ZINC000224862479	241783673	/nfs/dbraw/zinc/78/36/73/241783673.db2.gz	FOAGKCGYCZBFPU-ZDUSSCGKSA-N	0	0	348.424	3.505	40	5		EHBBRN
CCOc1ccc([C@@H](C)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1	ZINC000020453830	212130994	/nfs/dbraw/zinc/13/09/94/212130994.db2.gz	LLHPVBSNOURUIA-WEKMIXOTSA-N	0	0	340.379	3.884	40	5		EHBBRN
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc(Cl)cc1Cl	ZINC000006222156	257866828	/nfs/dbraw/zinc/86/68/28/257866828.db2.gz	CGRPNQPRNJUUBP-UHFFFAOYSA-N	0	0	337.118	3.702	40	5		EHBBRN
O=[N+]([O-])c1ccc(Cl)cc1Nc1cc(Cl)nc(C2CC2)n1	ZINC000329013572	257906271	/nfs/dbraw/zinc/90/62/71/257906271.db2.gz	MQRSCGXJANFBSS-UHFFFAOYSA-N	0	0	325.155	3.735	40	5		EHBBRN
CN(Cc1ccc(Cl)cc1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1	ZINC000015649956	563789535	/nfs/dbraw/zinc/78/95/35/563789535.db2.gz	VLBQABFQAWEADE-JXMROGBWSA-N	0	0	330.771	3.920	40	5		EHBBRN
CCc1ccc(OCC(=O)Nc2c(C)cc([N+](=O)[O-])cc2C)cc1	ZINC000072228782	563985893	/nfs/dbraw/zinc/98/58/93/563985893.db2.gz	BZCOOJKTPSJBSO-UHFFFAOYSA-N	0	0	328.368	3.792	40	5		EHBBRN
CCOc1ccc(NC(=O)CSCc2cccc([N+](=O)[O-])c2)cc1	ZINC000408723786	563993700	/nfs/dbraw/zinc/99/37/00/563993700.db2.gz	MYGMEAOVZWGVEO-UHFFFAOYSA-N	0	0	346.408	3.865	40	5		EHBBRN
O=C(Nc1ccc(Br)cc1F)c1ccccc1[N+](=O)[O-]	ZINC000005679136	564014136	/nfs/dbraw/zinc/01/41/36/564014136.db2.gz	SPQMQSDOOWKXLS-UHFFFAOYSA-N	0	0	339.120	3.749	40	5		EHBBRN
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)COc1ccccc1C	ZINC000014258334	564021894	/nfs/dbraw/zinc/02/18/94/564021894.db2.gz	SYFYSOYXNQSVLX-UHFFFAOYSA-N	0	0	334.759	3.883	40	5		EHBBRN
O=C1OC(c2cccs2)=N/C1=C\C=C\c1ccccc1[N+](=O)[O-]	ZINC000015262227	564060047	/nfs/dbraw/zinc/06/00/47/564060047.db2.gz	VLBMSFCVKVWTBK-LXROLRMVSA-N	0	0	326.333	3.557	40	5		EHBBRN
CCOc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1OCC	ZINC000015410108	564062044	/nfs/dbraw/zinc/06/20/44/564062044.db2.gz	FHYLJVYLZBOTMT-UHFFFAOYSA-N	0	0	344.367	3.953	40	5		EHBBRN
CC1(C)C[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2O1	ZINC000121753209	564081842	/nfs/dbraw/zinc/08/18/42/564081842.db2.gz	RHJGOGHBZVGPMD-OAHLLOKOSA-N	0	0	340.379	3.556	40	5		EHBBRN
C[C@H]([C@@H](CC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1)[N+](=O)[O-]	ZINC000001667281	564082144	/nfs/dbraw/zinc/08/21/44/564082144.db2.gz	JSLKOOHYAWTKNJ-MLGOLLRUSA-N	0	0	328.324	3.617	40	5		EHBBRN
O=C(Nc1ccc([N+](=O)[O-])cc1)c1coc2ccc([N+](=O)[O-])cc12	ZINC000197863067	564124718	/nfs/dbraw/zinc/12/47/18/564124718.db2.gz	ZOJDHNJQUKESRU-UHFFFAOYSA-N	0	0	327.252	3.502	40	5		EHBBRN
CCOc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OCC	ZINC000005466597	564125680	/nfs/dbraw/zinc/12/56/80/564125680.db2.gz	MLCBGKXPDZYSOB-UHFFFAOYSA-N	0	0	344.367	3.953	40	5		EHBBRN
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1cc(Cl)cc(Cl)c1	ZINC000006495576	564126032	/nfs/dbraw/zinc/12/60/32/564126032.db2.gz	UCQSCXRSKZQGSV-UHFFFAOYSA-N	0	0	337.118	3.702	40	5		EHBBRN
CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1	ZINC000013281850	564133979	/nfs/dbraw/zinc/13/39/79/564133979.db2.gz	OGKTXRRKADAZRO-INIZCTEOSA-N	0	0	338.367	3.598	40	5		EHBBRN
CCOC(=O)C=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1	ZINC000521825345	564134183	/nfs/dbraw/zinc/13/41/83/564134183.db2.gz	LEVBWOAXNOXETD-WJDWOHSUSA-N	0	0	330.315	3.750	40	5		EHBBRN
CC(C)(C)Nc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(C2CC2)n1	ZINC000328965993	564137519	/nfs/dbraw/zinc/13/75/19/564137519.db2.gz	CIEOOQOVXRORPO-UHFFFAOYSA-N	0	0	345.378	3.777	40	5		EHBBRN
Cc1cc(-c2nnc(-c3ccc([N+](=O)[O-])c(C)c3)o2)ccc1[N+](=O)[O-]	ZINC000059487707	564161389	/nfs/dbraw/zinc/16/13/89/564161389.db2.gz	XPUOXGDVZIVINC-UHFFFAOYSA-N	0	0	340.295	3.837	40	5		EHBBRN
O=[N+]([O-])c1ccccc1-c1nnc(-c2ccccc2[N+](=O)[O-])s1	ZINC000068591684	215322108	/nfs/dbraw/zinc/32/21/08/215322108.db2.gz	AFZWBLCUYXVOGP-UHFFFAOYSA-N	0	0	328.309	3.689	40	5		EHBBRN
CCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1	ZINC000022512218	212302942	/nfs/dbraw/zinc/30/29/42/212302942.db2.gz	LWTLKXDKWFRBTK-UHFFFAOYSA-N	0	0	348.742	3.677	40	5		EHBBRN
Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)CC(C)(C)O2	ZINC000217865914	241279480	/nfs/dbraw/zinc/27/94/80/241279480.db2.gz	ZYMUJYHGWLJDCM-INIZCTEOSA-N	0	0	340.379	3.935	40	5		EHBBRN
COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1Cl	ZINC000008907740	211017037	/nfs/dbraw/zinc/01/70/37/211017037.db2.gz	NUAVOPKPIVNSHN-UHFFFAOYSA-N	0	0	336.731	3.518	40	5		EHBBRN
Cc1nc(NC(=O)c2ccccc2)sc1-c1ccc([N+](=O)[O-])o1	ZINC000000033155	208551726	/nfs/dbraw/zinc/55/17/26/208551726.db2.gz	HUPXNOVOAMTKEF-UHFFFAOYSA-N	0	0	329.337	3.872	40	5		EHBBRN
CN(C)c1ccc(NC(=O)c2coc3ccc([N+](=O)[O-])cc23)cc1	ZINC000408965027	257884882	/nfs/dbraw/zinc/88/48/82/257884882.db2.gz	FTCXHHRQCORIJH-UHFFFAOYSA-N	0	0	325.324	3.659	40	5		EHBBRN
COc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1Br	ZINC000035018430	563388196	/nfs/dbraw/zinc/38/81/96/563388196.db2.gz	NEYWQHIWOYDXNW-UHFFFAOYSA-N	0	0	337.173	3.978	40	5		EHBBRN
Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1	ZINC000013710695	563932071	/nfs/dbraw/zinc/93/20/71/563932071.db2.gz	ZUWIBZVVNCWEIC-AWEZNQCLSA-N	0	0	328.368	3.926	40	5		EHBBRN
O=c1nc(C(F)(F)F)cc(C=Cc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1	ZINC000408720542	563993679	/nfs/dbraw/zinc/99/36/79/563993679.db2.gz	UBMGVPAZVRRNRB-HNQUOIGGSA-N	0	0	345.664	3.933	40	5		EHBBRN
O=C(CSc1cccc2cccnc21)Nc1ccccc1[N+](=O)[O-]	ZINC000005514964	564004900	/nfs/dbraw/zinc/00/49/00/564004900.db2.gz	JMLYASHLSQWJLF-UHFFFAOYSA-N	0	0	339.376	3.874	40	5		EHBBRN
O=[N+]([O-])c1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3OCC[C@@H]32)c1	ZINC000409189937	564010978	/nfs/dbraw/zinc/01/09/78/564010978.db2.gz	NXWZGBNRXATYJU-XOKHGSTOSA-N	0	0	341.323	3.747	40	5		EHBBRN
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC12CC3CC(CC(C3)C1)C2	ZINC000005893740	564056815	/nfs/dbraw/zinc/05/68/15/564056815.db2.gz	BRTHJLDZVJGXSI-ZZXKWVIFSA-N	0	0	326.396	3.693	40	5		EHBBRN
CCc1cccc(CC)c1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000007363484	564107398	/nfs/dbraw/zinc/10/73/98/564107398.db2.gz	QUJUVQZRNUVEPD-UHFFFAOYSA-N	0	0	348.424	3.829	40	5		EHBBRN
O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccccc1[N+](=O)[O-]	ZINC000020140817	564138397	/nfs/dbraw/zinc/13/83/97/564138397.db2.gz	IJYFOHODNPVZDO-UHFFFAOYSA-N	0	0	338.319	3.599	40	5		EHBBRN
Cc1nn2c(ncc(-c3ccc([N+](=O)[O-])cc3)c2N)c1-c1ccccc1	ZINC000040385264	213295486	/nfs/dbraw/zinc/29/54/86/213295486.db2.gz	UXWWBDILZUHOLI-UHFFFAOYSA-N	0	0	345.362	3.862	40	5		EHBBRN
CC(C)C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1	ZINC000021185751	212214911	/nfs/dbraw/zinc/21/49/11/212214911.db2.gz	NKVPWJOEAQATDL-OAHLLOKOSA-N	0	0	348.424	3.661	40	5		EHBBRN
O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1Cl	ZINC000020496145	212140469	/nfs/dbraw/zinc/14/04/69/212140469.db2.gz	YISANFMOURSKDH-UHFFFAOYSA-N	0	0	344.714	3.551	40	5		EHBBRN
Cc1c(C(=O)N(C)c2ccc(N3CCCC3)cc2)cccc1[N+](=O)[O-]	ZINC000013673171	211603593	/nfs/dbraw/zinc/60/35/93/211603593.db2.gz	XEIOTZMKBGDMGZ-UHFFFAOYSA-N	0	0	339.395	3.780	40	5		EHBBRN
CCOC(=O)c1cc(OCC)c2c(ccc3cc(OC)ccc32)n1	ZINC000013281825	211540833	/nfs/dbraw/zinc/54/08/33/211540833.db2.gz	MAYCCFNMPDTFER-UHFFFAOYSA-N	0	0	325.364	3.972	40	5		EHBBRN
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000005944433	210565510	/nfs/dbraw/zinc/56/55/10/210565510.db2.gz	BZDWXWFCIWFIRH-QPJJXVBHSA-N	0	0	347.714	3.808	40	5		EHBBRN
O=C(CSc1cccc2cccnc21)Nc1ccc([N+](=O)[O-])cc1	ZINC000005514411	210478866	/nfs/dbraw/zinc/47/88/66/210478866.db2.gz	QWUSJMIWPJKQEP-UHFFFAOYSA-N	0	0	339.376	3.874	40	5		EHBBRN
Cc1ccc(-c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)nn2)cc1	ZINC000408531511	257898401	/nfs/dbraw/zinc/89/84/01/257898401.db2.gz	UKHWKHFOGMTTOF-UHFFFAOYSA-N	0	0	335.319	3.579	40	5		EHBBRN
COc1ccc(CCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000010542252	257860543	/nfs/dbraw/zinc/86/05/43/257860543.db2.gz	VCLMWHAFFXGKJQ-UHFFFAOYSA-N	0	0	348.786	3.619	40	5		EHBBRN
CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000072228664	257913867	/nfs/dbraw/zinc/91/38/67/257913867.db2.gz	VOTWBKIJSGBNIV-UHFFFAOYSA-N	0	0	329.312	3.626	40	5		EHBBRN
COc1ccccc1CCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000218119362	537031273	/nfs/dbraw/zinc/03/12/73/537031273.db2.gz	ROBAFLVWQWTKLU-UHFFFAOYSA-N	0	0	348.786	3.619	40	5		EHBBRN
Cc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1[N+](=O)[O-]	ZINC000013646156	563930974	/nfs/dbraw/zinc/93/09/74/563930974.db2.gz	DLRKFFHQEXLAQM-HNNXBMFYSA-N	0	0	340.379	3.935	40	5		EHBBRN
O=[N+]([O-])c1cccc(NC[C@@H](O)COc2cccc3ccccc32)c1	ZINC000000282935	563990184	/nfs/dbraw/zinc/99/01/84/563990184.db2.gz	ASKIAZSZPBYNRV-QGZVFWFLSA-N	0	0	338.363	3.600	40	5		EHBBRN
O=[N+]([O-])c1ccc(-c2n[nH]c(CCNc3cccc(Cl)c3)n2)cc1	ZINC000062719100	564019013	/nfs/dbraw/zinc/01/90/13/564019013.db2.gz	CZHGIEGPVSLTAD-UHFFFAOYSA-N	0	0	343.774	3.688	40	5		EHBBRN
COc1ccc(CNc2cccc([N+](=O)[O-])c2)cc1Br	ZINC000034990117	564057596	/nfs/dbraw/zinc/05/75/96/564057596.db2.gz	MXSWGKMPGZKHHV-UHFFFAOYSA-N	0	0	337.173	3.978	40	5		EHBBRN
C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCC2	ZINC000223149497	564063224	/nfs/dbraw/zinc/06/32/24/564063224.db2.gz	KINZFZPBESUYCZ-WEKMIXOTSA-N	0	0	336.391	3.974	40	5		EHBBRN
O=[N+]([O-])c1ccc2c(c1)Cc1cc(I)ccc1-2	ZINC000001580965	564081672	/nfs/dbraw/zinc/08/16/72/564081672.db2.gz	HSJXILJMBUVJFU-UHFFFAOYSA-N	0	0	337.116	3.771	40	5		EHBBRN
Cc1ccc(C(=O)NC(=S)Nc2ccc(C)cc2[N+](=O)[O-])c(C)c1	ZINC000006964513	564102402	/nfs/dbraw/zinc/10/24/02/564102402.db2.gz	MPKXBAIBLCWDBE-UHFFFAOYSA-N	0	0	343.408	3.647	40	5		EHBBRN
COC(=O)c1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1	ZINC000007792269	564123379	/nfs/dbraw/zinc/12/33/79/564123379.db2.gz	NMRWFYSAKLZBFJ-UHFFFAOYSA-N	0	0	348.742	3.596	40	5		EHBBRN
O=C(NCCSCc1ccco1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000006371623	564125954	/nfs/dbraw/zinc/12/59/54/564125954.db2.gz	UPEMMAZZFIKJEZ-UHFFFAOYSA-N	0	0	340.788	3.504	40	5		EHBBRN
COc1ccccc1C1CCN(c2ccc([N+](=O)[O-])cc2C=O)CC1	ZINC000004284754	564161474	/nfs/dbraw/zinc/16/14/74/564161474.db2.gz	TXTKGNOXCFAQCD-UHFFFAOYSA-N	0	0	340.379	3.800	40	5		EHBBRN
CCOc1ccc(/C=C/C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC	ZINC000003959404	210095877	/nfs/dbraw/zinc/09/58/77/210095877.db2.gz	IAZVBQOPIIVEQE-PKNBQFBNSA-N	0	0	342.351	3.654	40	5		EHBBRN
Cc1ccc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1	ZINC000104062406	219343518	/nfs/dbraw/zinc/34/35/18/219343518.db2.gz	PZRYEIXLMWQMAM-UHFFFAOYSA-N	0	0	335.297	3.871	40	5		EHBBRN
CCCOc1ccccc1CCCNC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000217861610	241280003	/nfs/dbraw/zinc/28/00/03/241280003.db2.gz	WRUAPCPWSVTKSA-UHFFFAOYSA-N	0	0	342.395	3.746	40	5		EHBBRN
C[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Br)C[C@@H](C)O1	ZINC000226316308	242098603	/nfs/dbraw/zinc/09/86/03/242098603.db2.gz	PWKZOVJIAVCMAK-HTQZYQBOSA-N	0	0	349.612	3.624	40	5		EHBBRN
O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1Cl	ZINC000020496187	212140619	/nfs/dbraw/zinc/14/06/19/212140619.db2.gz	UXMPKJOAFSPLNP-UHFFFAOYSA-N	0	0	344.714	3.551	40	5		EHBBRN
O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cc(F)cc(F)c1	ZINC000007307473	210781223	/nfs/dbraw/zinc/78/12/23/210781223.db2.gz	CTPFUKWEZWAFAR-UHFFFAOYSA-N	0	0	335.291	3.735	40	5		EHBBRN
Cc1nc(N)c(Br)c(-c2ccc(Cl)cc2)c1[N+](=O)[O-]	ZINC000096511242	218881368	/nfs/dbraw/zinc/88/13/68/218881368.db2.gz	STDWNQYTSVPUIC-UHFFFAOYSA-N	0	0	342.580	3.963	40	5		EHBBRN
O=c1sc(-c2ccccc2)nc(Nc2ccc(O)cc2)c1[N+](=O)[O-]	ZINC000408732162	257890259	/nfs/dbraw/zinc/89/02/59/257890259.db2.gz	OVEDGTQBVALZJX-UHFFFAOYSA-N	0	0	341.348	3.528	40	5		EHBBRN
O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccccc1	ZINC000059417106	257850508	/nfs/dbraw/zinc/85/05/08/257850508.db2.gz	PMBGEKKHCNEMPU-UHFFFAOYSA-N	0	0	340.257	3.631	40	5		EHBBRN
O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1cccc([N+](=O)[O-])c1	ZINC000020140847	257912956	/nfs/dbraw/zinc/91/29/56/257912956.db2.gz	LBQHYDVXTJUGTA-UHFFFAOYSA-N	0	0	338.319	3.599	40	5		EHBBRN
CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000224766341	535413005	/nfs/dbraw/zinc/41/30/05/535413005.db2.gz	RZKWDKQDUYVOPD-UHFFFAOYSA-N	0	0	348.424	3.735	40	5		EHBBRN
CCOC(=O)c1cccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C	ZINC000013632442	563930844	/nfs/dbraw/zinc/93/08/44/563930844.db2.gz	DZKQGLOZHVJOIM-UHFFFAOYSA-N	0	0	342.351	3.641	40	5		EHBBRN
Cc1ccc(C)c(O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1	ZINC000013710693	563932080	/nfs/dbraw/zinc/93/20/80/563932080.db2.gz	ZUWIBZVVNCWEIC-CQSZACIVSA-N	0	0	328.368	3.926	40	5		EHBBRN
Cc1cccc(NC(=O)c2cnc(-c3cccc([N+](=O)[O-])c3)nc2)c1	ZINC000408533237	563993375	/nfs/dbraw/zinc/99/33/75/563993375.db2.gz	QEIDXHPQFGWBQK-UHFFFAOYSA-N	0	0	334.335	3.613	40	5		EHBBRN
O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000003148546	564013578	/nfs/dbraw/zinc/01/35/78/564013578.db2.gz	YRQRVVNETKHQCK-UHFFFAOYSA-N	0	0	336.687	3.513	40	5		EHBBRN
Cc1ccc(C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000006426619	564086176	/nfs/dbraw/zinc/08/61/76/564086176.db2.gz	NWQWJARFFRFBHY-UHFFFAOYSA-N	0	0	335.703	3.717	40	5		EHBBRN
Cc1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1Cl	ZINC000224121090	564087429	/nfs/dbraw/zinc/08/74/29/564087429.db2.gz	ROKRWXWCCCDTHD-UHFFFAOYSA-N	0	0	348.786	3.674	40	5		EHBBRN
CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000225008347	564125230	/nfs/dbraw/zinc/12/52/30/564125230.db2.gz	HXBIMPYIBNLVEE-UHFFFAOYSA-N	0	0	348.424	3.735	40	5		EHBBRN
COc1ccc2nc(C)c(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2c1	ZINC000027342654	564128235	/nfs/dbraw/zinc/12/82/35/564128235.db2.gz	ICUZJUFDVDETSK-UHFFFAOYSA-N	0	0	337.335	3.712	40	5		EHBBRN
O=C(Oc1ccc(Br)cc1/C=C/[N+](=O)[O-])c1ccco1	ZINC000107761350	564128719	/nfs/dbraw/zinc/12/87/19/564128719.db2.gz	ULSYZLDGEADKGP-AATRIKPKSA-N	0	0	338.113	3.509	40	5		EHBBRN
CC(C)[C@@H]1CC[C@@H](C)[C@H](COC(=O)c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000103210877	564129502	/nfs/dbraw/zinc/12/95/02/564129502.db2.gz	LTRDGCCRAMQMOX-KCXAZCMYSA-N	0	0	333.384	3.639	40	5		EHBBRN
CCOC(=O)c1cc(Cl)c(N2CCCC[C@@H]2C)c([N+](=O)[O-])c1	ZINC000070462587	564136171	/nfs/dbraw/zinc/13/61/71/564136171.db2.gz	MGQLUBHRKJMTSM-JTQLQIEISA-N	0	0	326.780	3.804	40	5		EHBBRN
CN(C)c1ccc([N+](=O)[O-])cc1[C@@H]1OCCCN1Cc1ccccc1	ZINC000059489899	564161407	/nfs/dbraw/zinc/16/14/07/564161407.db2.gz	GMYRFGNXBHZDAW-IBGZPJMESA-N	0	0	341.411	3.582	40	5		EHBBRN
N=C1NC(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)S1	ZINC000004461816	210194680	/nfs/dbraw/zinc/19/46/80/210194680.db2.gz	IQXCKRKEZCTTQG-WUXMJOGZSA-N	0	0	349.755	3.647	40	5		EHBBRN
Cc1ccc(NC(=S)NC(=O)c2ccccc2Cl)cc1[N+](=O)[O-]	ZINC000000557680	209663824	/nfs/dbraw/zinc/66/38/24/209663824.db2.gz	ONBOFWGKYSUXDH-UHFFFAOYSA-N	0	0	349.799	3.683	40	5		EHBBRN
CCOc1ccccc1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000030848083	212710734	/nfs/dbraw/zinc/71/07/34/212710734.db2.gz	HOVPRLVIJYRZPC-UHFFFAOYSA-N	0	0	334.759	3.577	40	5		EHBBRN
O=C(Nc1ccc(Cl)cc1)c1cc2cc([N+](=O)[O-])ccc2oc1=O	ZINC000000294082	209521498	/nfs/dbraw/zinc/52/14/98/209521498.db2.gz	JCHGEVOSXVDQQF-UHFFFAOYSA-N	0	0	344.710	3.607	40	5		EHBBRN
Nc1cc(-c2nc3ccc([N+](=O)[O-])cc3o2)ccc1Br	ZINC000216926455	241225574	/nfs/dbraw/zinc/22/55/74/241225574.db2.gz	MWMOUMXDWSOPAW-UHFFFAOYSA-N	0	0	334.129	3.748	40	5		EHBBRN
C[C@@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)cc1	ZINC000225990294	242083693	/nfs/dbraw/zinc/08/36/93/242083693.db2.gz	JGFLADFLBHOCFU-GFCCVEGCSA-N	0	0	328.343	3.643	40	5		EHBBRN
CC(C)Oc1ccc(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1	ZINC000020459606	212133998	/nfs/dbraw/zinc/13/39/98/212133998.db2.gz	FLRJIVOQYUOEGZ-DHZHZOJOSA-N	0	0	340.379	3.712	40	5		EHBBRN
O=c1oc2ccccc2cc1C1=NO[C@H](c2cccc([N+](=O)[O-])c2)C1	ZINC000005604917	210499715	/nfs/dbraw/zinc/49/97/15/210499715.db2.gz	BXYZWHWEHTVZHD-KRWDZBQOSA-N	0	0	336.303	3.567	40	5		EHBBRN
CCOc1cccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1	ZINC000010294115	257861041	/nfs/dbraw/zinc/86/10/41/257861041.db2.gz	RDXIWWRZGMXCCZ-UHFFFAOYSA-N	0	0	346.408	3.865	40	5		EHBBRN
COc1cccc2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3OC)oc21	ZINC000008960613	257862407	/nfs/dbraw/zinc/86/24/07/257862407.db2.gz	JOFSKQVSYKRDIH-UHFFFAOYSA-N	0	0	342.307	3.611	40	5		EHBBRN
CC1(C)C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2O1	ZINC000013669018	563931682	/nfs/dbraw/zinc/93/16/82/563931682.db2.gz	ACVSXHBZVABCIU-OAHLLOKOSA-N	0	0	326.352	3.627	40	5		EHBBRN
Cc1c(NC(=O)[C@H](C)Oc2ccccc2Cl)cccc1[N+](=O)[O-]	ZINC000013709943	563932087	/nfs/dbraw/zinc/93/20/87/563932087.db2.gz	ZEILLHPXYDCZED-NSHDSACASA-N	0	0	334.759	3.963	40	5		EHBBRN
CCCCC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000006396933	563992425	/nfs/dbraw/zinc/99/24/25/563992425.db2.gz	WQGRWAVSWKRFOE-UHFFFAOYSA-N	0	0	341.367	3.976	40	5		EHBBRN
O=C(NCCc1ccccc1)c1cc2c(ccc3ccccc32)oc1=O	ZINC000408802760	564007314	/nfs/dbraw/zinc/00/73/14/564007314.db2.gz	HBZSQDJPCWYBQF-UHFFFAOYSA-N	0	0	343.382	3.919	40	5		EHBBRN
O=c1c2ccccc2c(-c2ccccc2)nn1-c1ccccc1[N+](=O)[O-]	ZINC000013632915	564020532	/nfs/dbraw/zinc/02/05/32/564020532.db2.gz	DKNOVXPTUXFTDR-UHFFFAOYSA-N	0	0	343.342	3.961	40	5		EHBBRN
C[C@@H]1CCCCN1c1c2sc(N)nc2c(Cl)cc1[N+](=O)[O-]	ZINC000045891363	564028774	/nfs/dbraw/zinc/02/87/74/564028774.db2.gz	RTWHMWXVQWDHQO-SSDOTTSWSA-N	0	0	326.809	3.819	40	5		EHBBRN
C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc([N+](=O)[O-])cc2)S1	ZINC000260766431	564052557	/nfs/dbraw/zinc/05/25/57/564052557.db2.gz	JYRPUDPYJZMDFO-XFBWCDHKSA-N	0	0	340.408	3.579	40	5		EHBBRN
C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccccc2[N+](=O)[O-])S1	ZINC000222561076	564054172	/nfs/dbraw/zinc/05/41/72/564054172.db2.gz	DRGKMQAIXPBART-XZJROXQQSA-N	0	0	340.408	3.579	40	5		EHBBRN
CCOc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)ccc1OC	ZINC000015409427	564062030	/nfs/dbraw/zinc/06/20/30/564062030.db2.gz	FKBRFBHVRCSTCZ-UHFFFAOYSA-N	0	0	330.340	3.563	40	5		EHBBRN
O=C1CS[C@@H](c2c[nH]c3ccccc32)N1c1ccccc1[N+](=O)[O-]	ZINC000006576300	564092178	/nfs/dbraw/zinc/09/21/78/564092178.db2.gz	JNKVBTPMMLACOG-KRWDZBQOSA-N	0	0	339.376	3.855	40	5		EHBBRN
O=c1nc(-c2cccc([N+](=O)[O-])c2)[nH]c2sc3c(c21)CCCCC3	ZINC000060478925	564128601	/nfs/dbraw/zinc/12/86/01/564128601.db2.gz	SSZZHFHGKRSYNG-UHFFFAOYSA-N	0	0	341.392	3.829	40	5		EHBBRN
O=[N+]([O-])c1ccc(Nc2cc(-c3ccccc3)nc(NC3CC3)n2)cc1	ZINC000329065836	564137681	/nfs/dbraw/zinc/13/76/81/564137681.db2.gz	XVGDVYVCRYORGD-UHFFFAOYSA-N	0	0	347.378	3.792	40	5		EHBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)SCc1ccccc1	ZINC000003529176	564158690	/nfs/dbraw/zinc/15/86/90/564158690.db2.gz	SGMBIXYGPMUUMU-LBPRGKRZSA-N	0	0	346.408	3.864	40	5		EHBBRN
COc1ccc([C@H](C)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000059351874	564161130	/nfs/dbraw/zinc/16/11/30/564161130.db2.gz	REPTZDCBDLLBAW-JTQLQIEISA-N	0	0	334.759	3.748	40	5		EHBBRN
COc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2C)c(OC)c1	ZINC000004342091	210175348	/nfs/dbraw/zinc/17/53/48/210175348.db2.gz	BNJJEHCIENGLRT-WEVVVXLNSA-N	0	0	342.351	3.572	40	5		EHBBRN
Cc1ccc2cc(CNc3cc([N+](=O)[O-])ccc3C)c(=O)[nH]c2c1C	ZINC000004126341	210127358	/nfs/dbraw/zinc/12/73/58/210127358.db2.gz	ALGYNGZWQWWEHC-UHFFFAOYSA-N	0	0	337.379	3.974	40	5		EHBBRN
CCOc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000038755196	213224549	/nfs/dbraw/zinc/22/45/49/213224549.db2.gz	ILCLPWXGUJCYRG-UHFFFAOYSA-N	0	0	334.759	3.577	40	5		EHBBRN
CCC(=O)Nc1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1	ZINC000000568931	209667944	/nfs/dbraw/zinc/66/79/44/209667944.db2.gz	ABTDCVPDQNBVKB-KPKJPENVSA-N	0	0	339.351	3.595	40	5		EHBBRN
O=[N+]([O-])c1cccc(-c2noc(-c3occc3Br)n2)c1	ZINC000216668979	241204693	/nfs/dbraw/zinc/20/46/93/241204693.db2.gz	MPRNOAIGCVQTBG-UHFFFAOYSA-N	0	0	336.101	3.667	40	5		EHBBRN
CCOc1ccc(CCCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1	ZINC000218130967	241300046	/nfs/dbraw/zinc/30/00/46/241300046.db2.gz	KTUHQYJJWKYPBI-UHFFFAOYSA-N	0	0	342.395	3.665	40	5		EHBBRN
CCOC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1Cl	ZINC000020494976	212140006	/nfs/dbraw/zinc/14/00/06/212140006.db2.gz	IJXFVANQNDMWFQ-UHFFFAOYSA-N	0	0	348.742	3.677	40	5		EHBBRN
COc1c2c(C)nn(-c3ccccc3)c2nc2cc([N+](=O)[O-])ccc21	ZINC000255190165	244049053	/nfs/dbraw/zinc/04/90/53/244049053.db2.gz	VJPTZNMNNDUOJE-UHFFFAOYSA-N	0	0	334.335	3.799	40	5		EHBBRN
CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1C	ZINC000020038756	212096464	/nfs/dbraw/zinc/09/64/64/212096464.db2.gz	HJFQKKIYKKLJFR-MRXNPFEDSA-N	0	0	332.331	3.838	40	5		EHBBRN
O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc([N+](=O)[O-])cc1	ZINC000019161601	212002486	/nfs/dbraw/zinc/00/24/86/212002486.db2.gz	WYJCTKYCSMIWDO-UHFFFAOYSA-N	0	0	339.376	3.900	40	5		EHBBRN
CCCN1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C1=O	ZINC000409249592	257873085	/nfs/dbraw/zinc/87/30/85/257873085.db2.gz	NPCFIDFHZLKLBK-YRNVUSSQSA-N	0	0	326.761	3.695	40	5		EHBBRN
S=C(Nc1cccnc1)Nc1cc2ccncc2c2ncccc12	ZINC000408975012	257885102	/nfs/dbraw/zinc/88/51/02/257885102.db2.gz	IOKACEBJUJLJMR-UHFFFAOYSA-N	0	0	331.404	3.987	40	5		EHBBRN
CC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnc(-c2ccco2)o1	ZINC000408583826	257895628	/nfs/dbraw/zinc/89/56/28/257895628.db2.gz	XDFBDODXUWJVKG-UHFFFAOYSA-N	0	0	331.309	3.592	40	5		EHBBRN
CC(C)Oc1ccc(CCCNC(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000013632426	563930842	/nfs/dbraw/zinc/93/08/42/563930842.db2.gz	QBFVHYKYMVBEGT-UHFFFAOYSA-N	0	0	342.395	3.745	40	5		EHBBRN
O=C(NCCCc1ccc(F)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000013647785	563931231	/nfs/dbraw/zinc/93/12/31/563931231.db2.gz	ZUKVUAICOCJZGU-UHFFFAOYSA-N	0	0	336.750	3.750	40	5		EHBBRN
Cc1ccc(C(=O)NCc2cccc(OC(C)C)c2)cc1[N+](=O)[O-]	ZINC000013675223	563931687	/nfs/dbraw/zinc/93/16/87/563931687.db2.gz	JHBFNMMZMOQFRT-UHFFFAOYSA-N	0	0	328.368	3.620	40	5		EHBBRN
CC[C@H](Oc1ccccc1C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000013994644	563982361	/nfs/dbraw/zinc/98/23/61/563982361.db2.gz	VROBZLONXLIOQI-HNNXBMFYSA-N	0	0	344.367	3.708	40	5		EHBBRN
Nc1nc(-c2cccc(Cl)c2)cc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000071977557	563983891	/nfs/dbraw/zinc/98/38/91/563983891.db2.gz	MKHSZJFAWJIRET-UHFFFAOYSA-N	0	0	326.743	3.954	40	5		EHBBRN
Cc1ccc(NC(=O)c2cnc(-c3cccc([N+](=O)[O-])c3)nc2)cc1	ZINC000408530216	563993168	/nfs/dbraw/zinc/99/31/68/563993168.db2.gz	JCCUGZVBXIXUPD-UHFFFAOYSA-N	0	0	334.335	3.613	40	5		EHBBRN
CCc1ccccc1O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000044849478	564027437	/nfs/dbraw/zinc/02/74/37/564027437.db2.gz	DHLMGNHXZCBCMF-LBPRGKRZSA-N	0	0	344.367	3.572	40	5		EHBBRN
O=C(O[C@H]1C[C@]23C[C@H]4O[C@H]1C[C@@]42CCCC3)c1ccc([N+](=O)[O-])cc1	ZINC000045070405	564028093	/nfs/dbraw/zinc/02/80/93/564028093.db2.gz	XMYLNJHLYQFDBD-APWQULEDSA-N	0	0	343.379	3.632	40	5		EHBBRN
C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccc([N+](=O)[O-])c2)S1	ZINC000222561354	564054167	/nfs/dbraw/zinc/05/41/67/564054167.db2.gz	UEHHLGFSRQTRIJ-XZJROXQQSA-N	0	0	340.408	3.579	40	5		EHBBRN
Cc1cc(C(=O)Nc2nnc(SC(C)C)s2)ccc1[N+](=O)[O-]	ZINC000223043045	564062943	/nfs/dbraw/zinc/06/29/43/564062943.db2.gz	AZRVASBIUWRAEG-UHFFFAOYSA-N	0	0	338.414	3.508	40	5		EHBBRN
Cc1noc(/C=C\c2cc(Br)ccc2O)c1[N+](=O)[O-]	ZINC000006184379	564079113	/nfs/dbraw/zinc/07/91/13/564079113.db2.gz	KMXANQXBDUWUHB-DJWKRKHSSA-N	0	0	325.118	3.530	40	5		EHBBRN
O=C1O/C(=C(\Br)c2ccc([N+](=O)[O-])cc2)c2ccccc21	ZINC000001636224	564081912	/nfs/dbraw/zinc/08/19/12/564081912.db2.gz	XNLIZJPSVSOMQT-YPKPFQOOSA-N	0	0	346.136	3.986	40	5		EHBBRN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(C(C)C)cc1	ZINC000223738870	564081921	/nfs/dbraw/zinc/08/19/21/564081921.db2.gz	QPQUNJXJFFJWMW-UHFFFAOYSA-N	0	0	348.424	3.505	40	5		EHBBRN
COc1cccc(CNc2ccc(Br)cc2[N+](=O)[O-])c1	ZINC000007269961	564112822	/nfs/dbraw/zinc/11/28/22/564112822.db2.gz	CIAUJLMQASTXML-UHFFFAOYSA-N	0	0	337.173	3.978	40	5		EHBBRN
Cc1ccc(CSCCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000017603776	564127940	/nfs/dbraw/zinc/12/79/40/564127940.db2.gz	HIPCAGFZLYIBBE-UHFFFAOYSA-N	0	0	344.436	3.875	40	5		EHBBRN
O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccc([N+](=O)[O-])cc1	ZINC000002610321	564151140	/nfs/dbraw/zinc/15/11/40/564151140.db2.gz	JZYSGIKMKTXNLY-SFHVURJKSA-N	0	0	333.347	3.509	40	5		EHBBRN
CCCOC(=O)c1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000002751465	564152461	/nfs/dbraw/zinc/15/24/61/564152461.db2.gz	NIIXZAXVQYEEKZ-UHFFFAOYSA-N	0	0	346.295	3.862	40	5		EHBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1cccc(C)c1C	ZINC000030852613	564157960	/nfs/dbraw/zinc/15/79/60/564157960.db2.gz	OGYSGSMAAWHYTP-CYBMUJFWSA-N	0	0	344.367	3.626	40	5		EHBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccc(C)cc1C	ZINC000008041257	564162360	/nfs/dbraw/zinc/16/23/60/564162360.db2.gz	ZCHHSJGIRPHVAW-ZDUSSCGKSA-N	0	0	344.367	3.626	40	5		EHBBRN
O=[N+]([O-])c1cccc(CNc2ncc(C(F)(F)F)cc2[N+](=O)[O-])c1	ZINC000039956749	213245867	/nfs/dbraw/zinc/24/58/67/213245867.db2.gz	PPLJSDMJXIRBEK-UHFFFAOYSA-N	0	0	342.233	3.529	40	5		EHBBRN
COc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000022509955	212301506	/nfs/dbraw/zinc/30/15/06/212301506.db2.gz	VQJDSQLWYBNWDQ-SNVBAGLBSA-N	0	0	334.759	3.748	40	5		EHBBRN
COc1ccc(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C	ZINC000225596293	241942686	/nfs/dbraw/zinc/94/26/86/241942686.db2.gz	YPLIWCLYBQKOGF-UHFFFAOYSA-N	0	0	328.368	3.792	40	5		EHBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1ccc(F)cc1	ZINC000020493517	212139484	/nfs/dbraw/zinc/13/94/84/212139484.db2.gz	WPPQQEPVJVZMRI-UHFFFAOYSA-N	0	0	334.372	3.914	40	5		EHBBRN
CCOc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1	ZINC000020044077	212096814	/nfs/dbraw/zinc/09/68/14/212096814.db2.gz	SARCGXBQZHRQCC-UHFFFAOYSA-N	0	0	334.759	3.577	40	5		EHBBRN
O=[N+]([O-])c1cccc(CSc2nnc(Cc3ccccc3)o2)c1	ZINC000019929030	212085522	/nfs/dbraw/zinc/08/55/22/212085522.db2.gz	HEQOOKVFCWTAJT-UHFFFAOYSA-N	0	0	327.365	3.861	40	5		EHBBRN
COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(C)cc3)nc21	ZINC000006426626	257866250	/nfs/dbraw/zinc/86/62/50/257866250.db2.gz	ZGLQMYIZVGSJQZ-UHFFFAOYSA-N	0	0	343.364	3.774	40	5		EHBBRN
Cc1cc(NC(=O)CSc2ccc([N+](=O)[O-])cn2)ccc1Cl	ZINC000409180106	257875878	/nfs/dbraw/zinc/87/58/78/257875878.db2.gz	UHBFRTGNANYXLS-UHFFFAOYSA-N	0	0	337.788	3.682	40	5		EHBBRN
Cc1cccc(CCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1	ZINC000013649533	563931403	/nfs/dbraw/zinc/93/14/03/563931403.db2.gz	QHCCHDQVDZDUAK-UHFFFAOYSA-N	0	0	332.787	3.919	40	5		EHBBRN
Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1cccc([N+](=O)[O-])c1C	ZINC000072228667	563985917	/nfs/dbraw/zinc/98/59/17/563985917.db2.gz	JBCQZCKBQXTTNF-UHFFFAOYSA-N	0	0	329.312	3.681	40	5		EHBBRN
COc1cc2c(cc1OC)CN([C@H](C)c1ccc([N+](=O)[O-])cc1)CC2	ZINC000085345470	563986089	/nfs/dbraw/zinc/98/60/89/563986089.db2.gz	JVBRTJVULBOWQO-CYBMUJFWSA-N	0	0	342.395	3.731	40	5		EHBBRN
CCOc1ccc(C(=O)Oc2cccc3cccnc32)cc1[N+](=O)[O-]	ZINC000000290849	563990234	/nfs/dbraw/zinc/99/02/34/563990234.db2.gz	UNQKFPPAKAKGOX-UHFFFAOYSA-N	0	0	338.319	3.761	40	5		EHBBRN
O=C(NCCSCc1ccco1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000408575790	563993452	/nfs/dbraw/zinc/99/34/52/563993452.db2.gz	RJFPCYWYQZTJPH-UHFFFAOYSA-N	0	0	340.788	3.504	40	5		EHBBRN
COc1ccc(NC(=O)c2ccc(OCC(C)C)cc2)cc1[N+](=O)[O-]	ZINC000014258185	564021847	/nfs/dbraw/zinc/02/18/47/564021847.db2.gz	GVMKMXHQIDAVOT-UHFFFAOYSA-N	0	0	344.367	3.891	40	5		EHBBRN
COc1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C	ZINC000224619805	564043283	/nfs/dbraw/zinc/04/32/83/564043283.db2.gz	COYVXADBGCVOMI-UHFFFAOYSA-N	0	0	328.368	3.792	40	5		EHBBRN
Cc1nc(-c2cccnc2)sc1C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000028210377	564043752	/nfs/dbraw/zinc/04/37/52/564043752.db2.gz	RJJHSMLTDZXNMU-UHFFFAOYSA-N	0	0	340.364	3.674	40	5		EHBBRN
C[C@H](CCc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000006252586	564083257	/nfs/dbraw/zinc/08/32/57/564083257.db2.gz	ZITAITGUCJOFIF-GFCCVEGCSA-N	0	0	332.787	3.999	40	5		EHBBRN
CCCc1nnc(SCC(=O)c2cc([N+](=O)[O-])ccc2Cl)o1	ZINC000007342102	564126622	/nfs/dbraw/zinc/12/66/22/564126622.db2.gz	LOVZFOAYBSTLOE-UHFFFAOYSA-N	0	0	341.776	3.559	40	5		EHBBRN
CCOc1ccccc1-c1nnc(Sc2ccc([N+](=O)[O-])cn2)o1	ZINC000060512582	564128616	/nfs/dbraw/zinc/12/86/16/564128616.db2.gz	PCOUAMOIPUYONS-UHFFFAOYSA-N	0	0	344.352	3.590	40	5		EHBBRN
CCCC(=O)Nc1cc(N2CCCCC2)c([N+](=O)[O-])cc1Cl	ZINC000072229028	216071113	/nfs/dbraw/zinc/07/11/13/216071113.db2.gz	WOJRSUFUEKHOHC-UHFFFAOYSA-N	0	0	325.796	3.977	40	5		EHBBRN
CC(C)C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000022525492	212304293	/nfs/dbraw/zinc/30/42/93/212304293.db2.gz	OVHAAQPBKNQHEF-QGZVFWFLSA-N	0	0	348.424	3.661	40	5		EHBBRN
COC(=O)c1cc([N+](=O)[O-])ccc1OCc1ccc(F)cc1Cl	ZINC000216806508	241213784	/nfs/dbraw/zinc/21/37/84/241213784.db2.gz	QNNXVBPQOYSHIF-UHFFFAOYSA-N	0	0	339.706	3.753	40	5		EHBBRN
CCOC(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2OCC)o1	ZINC000226257824	242093301	/nfs/dbraw/zinc/09/33/01/242093301.db2.gz	BLLYZKGRILPMEN-JXMROGBWSA-N	0	0	331.324	3.830	40	5		EHBBRN
CC(C)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000019933988	212086437	/nfs/dbraw/zinc/08/64/37/212086437.db2.gz	DXEZISNUBWZBIR-QGZVFWFLSA-N	0	0	348.424	3.661	40	5		EHBBRN
O=Cc1cc([N+](=O)[O-])ccc1Sc1nnc(Cc2ccccc2)o1	ZINC000409386767	257871634	/nfs/dbraw/zinc/87/16/34/257871634.db2.gz	XLQZVNSZCRQSCO-UHFFFAOYSA-N	0	0	341.348	3.532	40	5		EHBBRN
O=c1nc(-c2ccc([N+](=O)[O-])o2)[nH]c2sc3c(c21)CCCCC3	ZINC000409001563	257883414	/nfs/dbraw/zinc/88/34/14/257883414.db2.gz	JCWZGUUQIZWFCT-UHFFFAOYSA-N	0	0	331.353	3.834	40	5		EHBBRN
Cc1ccc(N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1	ZINC000219854693	563912893	/nfs/dbraw/zinc/91/28/93/563912893.db2.gz	NOAQPQTVTJQSRW-UHFFFAOYSA-N	0	0	339.395	3.758	40	5		EHBBRN
Cc1ccc(C2=N/C(=C\C=C\c3ccccc3[N+](=O)[O-])C(=O)O2)cc1	ZINC000013551555	563929941	/nfs/dbraw/zinc/92/99/41/563929941.db2.gz	QYXIQJPCEUTDCH-ZGCWVLQWSA-N	0	0	334.331	3.804	40	5		EHBBRN
Cc1cc(C(=O)NCc2cccc(OC(C)C)c2)ccc1[N+](=O)[O-]	ZINC000013669993	563931691	/nfs/dbraw/zinc/93/16/91/563931691.db2.gz	SZDJFSUTBFDFDI-UHFFFAOYSA-N	0	0	328.368	3.620	40	5		EHBBRN
CCOC(=O)c1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1	ZINC000013675365	563931788	/nfs/dbraw/zinc/93/17/88/563931788.db2.gz	CFWSZVMAPOSXGC-UHFFFAOYSA-N	0	0	342.351	3.641	40	5		EHBBRN
COc1cc2c(cc1OC)CN([C@@H](C)c1ccc([N+](=O)[O-])cc1)CC2	ZINC000085345467	563986100	/nfs/dbraw/zinc/98/61/00/563986100.db2.gz	JVBRTJVULBOWQO-ZDUSSCGKSA-N	0	0	342.395	3.731	40	5		EHBBRN
O=C1S/C(=C\c2ccccc2[N+](=O)[O-])C(=O)N1c1cccc(O)c1	ZINC000005376234	564003180	/nfs/dbraw/zinc/00/31/80/564003180.db2.gz	IOFXWBMPMDIJCP-ZSOIEALJSA-N	0	0	342.332	3.541	40	5		EHBBRN
COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OC	ZINC000006170014	564014515	/nfs/dbraw/zinc/01/45/15/564014515.db2.gz	BQDJJMRVCJQILR-UHFFFAOYSA-N	0	0	336.731	3.518	40	5		EHBBRN
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccccc1	ZINC000014257735	564021753	/nfs/dbraw/zinc/02/17/53/564021753.db2.gz	FVYGOFWGHUBDCJ-UHFFFAOYSA-N	0	0	349.799	3.683	40	5		EHBBRN
Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1Cl	ZINC000005795486	564052167	/nfs/dbraw/zinc/05/21/67/564052167.db2.gz	QINFTKICFYXMGJ-UHFFFAOYSA-N	0	0	340.788	3.666	40	5		EHBBRN
CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000030868193	564157997	/nfs/dbraw/zinc/15/79/97/564157997.db2.gz	CENHLUUMVIKQGV-KRWDZBQOSA-N	0	0	344.367	3.708	40	5		EHBBRN
CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000030868187	564158007	/nfs/dbraw/zinc/15/80/07/564158007.db2.gz	CENHLUUMVIKQGV-QGZVFWFLSA-N	0	0	344.367	3.708	40	5		EHBBRN
CC(C)c1ccccc1OCCNC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000030954967	564158217	/nfs/dbraw/zinc/15/82/17/564158217.db2.gz	DNOURKWHELNZMH-UHFFFAOYSA-N	0	0	328.368	3.527	40	5		EHBBRN
CN(C)c1ccc([N+](=O)[O-])cc1[C@H]1OCCCN1Cc1ccccc1	ZINC000059489898	564161436	/nfs/dbraw/zinc/16/14/36/564161436.db2.gz	GMYRFGNXBHZDAW-LJQANCHMSA-N	0	0	341.411	3.582	40	5		EHBBRN
CCCCOC(=O)c1cc(Cl)c(N2CCCC2)c([N+](=O)[O-])c1	ZINC000070462630	215697488	/nfs/dbraw/zinc/69/74/88/215697488.db2.gz	PGYAPHCINPYPMU-UHFFFAOYSA-N	0	0	326.780	3.805	40	5		EHBBRN
Cc1ccccc1OC[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000218124256	241299453	/nfs/dbraw/zinc/29/94/53/241299453.db2.gz	RMGMFIKXYBFUDN-LBPRGKRZSA-N	0	0	348.786	3.754	40	5		EHBBRN
CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000020481875	212136873	/nfs/dbraw/zinc/13/68/73/212136873.db2.gz	CJCZQIUJTNMUPV-INIZCTEOSA-N	0	0	332.331	3.838	40	5		EHBBRN
CCCCN(CCCC)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000005234953	210418052	/nfs/dbraw/zinc/41/80/52/210418052.db2.gz	DIDBNCKLEYKLOY-UHFFFAOYSA-N	0	0	348.852	3.839	40	5		EHBBRN
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCc1cccnc1	ZINC000004952298	210337621	/nfs/dbraw/zinc/33/76/21/210337621.db2.gz	YQCCVITYYHGYNL-UHFFFAOYSA-N	0	0	342.233	3.529	40	5		EHBBRN
Cc1ccccc1CSCCNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000409026974	257881914	/nfs/dbraw/zinc/88/19/14/257881914.db2.gz	LPUUZEPGDUNXJX-UHFFFAOYSA-N	0	0	330.409	3.566	40	5		EHBBRN
CCOc1ccccc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000225991192	535517875	/nfs/dbraw/zinc/51/78/75/535517875.db2.gz	XVLGNDJSBUIIMH-UHFFFAOYSA-N	0	0	326.352	3.664	40	5		EHBBRN
Cc1ccc(C(=O)Nc2c(C)cc([N+](=O)[O-])cc2C)cc1[N+](=O)[O-]	ZINC000072228670	563985898	/nfs/dbraw/zinc/98/58/98/563985898.db2.gz	IAFVNHQONSLALL-UHFFFAOYSA-N	0	0	329.312	3.681	40	5		EHBBRN
COc1ccc(OC)c([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)c1	ZINC000408567767	563993424	/nfs/dbraw/zinc/99/34/24/563993424.db2.gz	HIZNFBRTDNUZJB-INIZCTEOSA-N	0	0	326.352	3.594	40	5		EHBBRN
CCCCC(=O)NC(=S)Nc1cc(Cl)c([N+](=O)[O-])cc1C	ZINC000014257731	564021729	/nfs/dbraw/zinc/02/17/29/564021729.db2.gz	IOZBOPFUUWSKOJ-UHFFFAOYSA-N	0	0	329.809	3.560	40	5		EHBBRN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(C)C	ZINC000014400413	564023482	/nfs/dbraw/zinc/02/34/82/564023482.db2.gz	KXXWRFFWEIUHOO-UHFFFAOYSA-N	0	0	334.397	3.827	40	5		EHBBRN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1	ZINC000058901371	564058902	/nfs/dbraw/zinc/05/89/02/564058902.db2.gz	MMPRZMSMPAVUQY-UHFFFAOYSA-N	0	0	347.179	3.702	40	5		EHBBRN
CCc1ccc(OCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000223374913	564073319	/nfs/dbraw/zinc/07/33/19/564073319.db2.gz	JDZYJWACKCACIU-UHFFFAOYSA-N	0	0	348.786	3.619	40	5		EHBBRN
O=[N+]([O-])c1ccc(Nc2cc(Cl)nc(-c3cccnc3)n2)cc1	ZINC000328986458	564084809	/nfs/dbraw/zinc/08/48/09/564084809.db2.gz	HYUFPURJCNEVID-UHFFFAOYSA-N	0	0	327.731	3.844	40	5		EHBBRN
CC(=O)N(C)c1ccc(NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000001753773	564087230	/nfs/dbraw/zinc/08/72/30/564087230.db2.gz	PVHRGSYRZCXMCY-UHFFFAOYSA-N	0	0	342.355	3.530	40	5		EHBBRN
O=[N+]([O-])c1ccccc1[S@](=O)NCc1c(Cl)cccc1Cl	ZINC000006513992	564091359	/nfs/dbraw/zinc/09/13/59/564091359.db2.gz	OUTLYOKVGRNTLO-OAQYLSRUSA-N	0	0	345.207	3.714	40	5		EHBBRN
O=C1S/C(=C/c2ccccc2)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000215019247	564125303	/nfs/dbraw/zinc/12/53/03/564125303.db2.gz	LLXNTMGGDOYDQN-XNTDXEJSSA-N	0	0	340.360	3.831	40	5		EHBBRN
O=C(OCc1ccccc1[N+](=O)[O-])c1cccc(Br)c1	ZINC000006377277	564125945	/nfs/dbraw/zinc/12/59/45/564125945.db2.gz	APDCONZKEIFZPS-UHFFFAOYSA-N	0	0	336.141	3.714	40	5		EHBBRN
CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(OC)c(C)c1	ZINC000225210611	564132251	/nfs/dbraw/zinc/13/22/51/564132251.db2.gz	DTCBTUZCDOBPHQ-MRXNPFEDSA-N	0	0	328.368	3.793	40	5		EHBBRN
Cc1ccc(C(=O)NCCSCc2cccs2)cc1[N+](=O)[O-]	ZINC000018201558	564133762	/nfs/dbraw/zinc/13/37/62/564133762.db2.gz	VLOKJKPVKZYEFK-UHFFFAOYSA-N	0	0	336.438	3.628	40	5		EHBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1cc(C)cc(C)c1	ZINC000008478339	564165373	/nfs/dbraw/zinc/16/53/73/564165373.db2.gz	QTAWNFIDAUYJSU-ZDUSSCGKSA-N	0	0	344.367	3.626	40	5		EHBBRN
Cc1c(/C=C/c2cccc([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C	ZINC000000055219	209393554	/nfs/dbraw/zinc/39/35/54/209393554.db2.gz	QBPJDEGBZKBBPW-VAWYXSNFSA-N	0	0	335.363	3.563	40	5		EHBBRN
Cc1ccc(-c2nnsc2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	ZINC000225775140	242029285	/nfs/dbraw/zinc/02/92/85/242029285.db2.gz	PSAVJZDXDSSNMA-UHFFFAOYSA-N	0	0	340.364	3.674	40	5		EHBBRN
COc1ccc([C@H](O)c2ccc3c4c(cccc42)CC3)cc1[N+](=O)[O-]	ZINC000226295711	242094168	/nfs/dbraw/zinc/09/41/68/242094168.db2.gz	ZJVINXMGTPTQBE-FQEVSTJZSA-N	0	0	335.359	3.937	40	5		EHBBRN
O=C(NCCCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000013613511	211592505	/nfs/dbraw/zinc/59/25/05/211592505.db2.gz	QTOVMAZHFORENF-UHFFFAOYSA-N	0	0	336.750	3.750	40	5		EHBBRN
CCOc1ccc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1	ZINC000011170042	211206567	/nfs/dbraw/zinc/20/65/67/211206567.db2.gz	XIJFYHVYWFQIBD-ZDUSSCGKSA-N	0	0	328.368	3.793	40	5		EHBBRN
COc1cc2c(cc1OC)C(=O)[C@@H](c1ccc([N+](=O)[O-])cc1)CC2	ZINC000169800199	533166757	/nfs/dbraw/zinc/16/67/57/533166757.db2.gz	UBLKHOCZOUCQDW-CQSZACIVSA-N	0	0	327.336	3.525	40	5		EHBBRN
CC(C)N1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O	ZINC000409018304	563994037	/nfs/dbraw/zinc/99/40/37/563994037.db2.gz	UCUQASQQJIZSKT-IZZDOVSWSA-N	0	0	326.761	3.693	40	5		EHBBRN
Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1[N+](=O)[O-]	ZINC000005417554	564003706	/nfs/dbraw/zinc/00/37/06/564003706.db2.gz	YFNNZLUIENAINN-UHFFFAOYSA-N	0	0	340.788	3.666	40	5		EHBBRN
S=C(Nc1cccnc1)Nc1cc2cccnc2c2ncccc12	ZINC000409325574	564011776	/nfs/dbraw/zinc/01/17/76/564011776.db2.gz	ZFMDAOBDFDYUFO-UHFFFAOYSA-N	0	0	331.404	3.987	40	5		EHBBRN
CCc1cccc(C)c1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000005652294	564014248	/nfs/dbraw/zinc/01/42/48/564014248.db2.gz	IEQKEZUXMQFKTD-UHFFFAOYSA-N	0	0	334.397	3.575	40	5		EHBBRN
O=C(COc1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000005674993	564017673	/nfs/dbraw/zinc/01/76/73/564017673.db2.gz	XBZGVADIUAPYGN-UHFFFAOYSA-N	0	0	341.150	3.919	40	5		EHBBRN
Cc1cccc(C2=N/C(=C/C=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)c1	ZINC000000509564	564018927	/nfs/dbraw/zinc/01/89/27/564018927.db2.gz	HMZVWRXWKRYSBL-GOBGXLLKSA-N	0	0	334.331	3.804	40	5		EHBBRN
CCCc1ccc(OCCNC(=O)c2cccc([N+](=O)[O-])c2C)cc1	ZINC000223375621	564073318	/nfs/dbraw/zinc/07/33/18/564073318.db2.gz	NADBLKOPXOEMAY-UHFFFAOYSA-N	0	0	342.395	3.665	40	5		EHBBRN
CC[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(OC)c(C)c1	ZINC000224986351	564124600	/nfs/dbraw/zinc/12/46/00/564124600.db2.gz	UYMKHSJOYRQEJV-INIZCTEOSA-N	0	0	342.395	3.722	40	5		EHBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1	ZINC000008478342	564165407	/nfs/dbraw/zinc/16/54/07/564165407.db2.gz	QTAWNFIDAUYJSU-CYBMUJFWSA-N	0	0	344.367	3.626	40	5		EHBBRN
O=[N+]([O-])c1ccc(OC2=C(c3ccccc3)N3CCN=C3S2)cc1	ZINC000101051137	219115453	/nfs/dbraw/zinc/11/54/53/219115453.db2.gz	ULSFKRPGENJRAG-UHFFFAOYSA-N	0	0	339.376	3.718	40	5		EHBBRN
Cc1cc(C)c2c(N)c(C(=O)Nc3ccccc3[N+](=O)[O-])sc2n1	ZINC000004124671	210126043	/nfs/dbraw/zinc/12/60/43/210126043.db2.gz	LUCYQMLRSOAOMU-UHFFFAOYSA-N	0	0	342.380	3.656	40	5		EHBBRN
COc1ccc(-c2nnc(-c3ccc(Cl)c([N+](=O)[O-])c3)[nH]2)cc1	ZINC000040169662	213277902	/nfs/dbraw/zinc/27/79/02/213277902.db2.gz	CYEHEXJFPUXKSS-UHFFFAOYSA-N	0	0	330.731	3.709	40	5		EHBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccccc1C(C)C	ZINC000000516678	209643142	/nfs/dbraw/zinc/64/31/42/209643142.db2.gz	BIADHOUCMFCZRU-UHFFFAOYSA-N	0	0	344.367	3.744	40	5		EHBBRN
Cc1cccc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C	ZINC000223900906	241705438	/nfs/dbraw/zinc/70/54/38/241705438.db2.gz	PGJHUYROOQSBLL-UHFFFAOYSA-N	0	0	348.786	3.674	40	5		EHBBRN
CCOc1ccc([C@H](C)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1	ZINC000020453832	212130932	/nfs/dbraw/zinc/13/09/32/212130932.db2.gz	LLHPVBSNOURUIA-GMMCIKNFSA-N	0	0	340.379	3.884	40	5		EHBBRN
CC(C)c1nnc(SCC(=O)c2cc([N+](=O)[O-])ccc2Cl)o1	ZINC000020033778	212095411	/nfs/dbraw/zinc/09/54/11/212095411.db2.gz	OSZKERAPUJUALK-UHFFFAOYSA-N	0	0	341.776	3.730	40	5		EHBBRN
CCn1c2ccc([N+](=O)[O-])cc2c2c1ccc(NC(C)=O)c2[N+](=O)[O-]	ZINC000005393104	210456257	/nfs/dbraw/zinc/45/62/57/210456257.db2.gz	INRQRKBWLMPNIA-UHFFFAOYSA-N	0	0	342.311	3.589	40	5		EHBBRN
COC(=O)c1c2ccc(=O)cc-2[nH]c2ccc(Br)cc21	ZINC000006857887	563589036	/nfs/dbraw/zinc/58/90/36/563589036.db2.gz	CLVJNEWOHCDTGC-UHFFFAOYSA-N	0	0	332.153	3.643	40	5		EHBBRN
c1ccc(-c2nc3nc4ccccc4nc3nc2-c2ccccn2)nc1	ZINC000013284384	563693848	/nfs/dbraw/zinc/69/38/48/563693848.db2.gz	ITHYVAQABMAOFA-UHFFFAOYSA-N	0	0	336.358	3.697	40	5		EHBBRN
Cc1cc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)ccc1[N+](=O)[O-]	ZINC000014258423	563983817	/nfs/dbraw/zinc/98/38/17/563983817.db2.gz	FCBHIKHKNMLBRL-UHFFFAOYSA-N	0	0	341.367	3.750	40	5		EHBBRN
Cc1ccc(OCC(=O)Nc2c(C)cc([N+](=O)[O-])cc2C)c(C)c1	ZINC000072228811	563985851	/nfs/dbraw/zinc/98/58/51/563985851.db2.gz	OSEJRXNFYWYVHL-UHFFFAOYSA-N	0	0	328.368	3.846	40	5		EHBBRN
COc1cccc2cc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)oc21	ZINC000073742773	564062005	/nfs/dbraw/zinc/06/20/05/564062005.db2.gz	JZEKOWCGMIIACN-UHFFFAOYSA-N	0	0	330.271	3.741	40	5		EHBBRN
Cc1cc(C)c([C@@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1C	ZINC000223430250	564074198	/nfs/dbraw/zinc/07/41/98/564074198.db2.gz	SYJVCTXWDZKGGS-CQSZACIVSA-N	0	0	348.424	3.560	40	5		EHBBRN
CC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1ccc(C)cc1	ZINC000016090705	564079677	/nfs/dbraw/zinc/07/96/77/564079677.db2.gz	YELQOJXPHVFRKN-MRXNPFEDSA-N	0	0	348.424	3.641	40	5		EHBBRN
CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1[N+](=O)[O-]	ZINC000059078335	564084635	/nfs/dbraw/zinc/08/46/35/564084635.db2.gz	XFLKJJSOCILUKV-UHFFFAOYSA-N	0	0	333.319	3.914	40	5		EHBBRN
CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000225070753	564125305	/nfs/dbraw/zinc/12/53/05/564125305.db2.gz	WOTNFIYFDCZLTH-UHFFFAOYSA-N	0	0	348.424	3.735	40	5		EHBBRN
O=[N+]([O-])[C@@H]1CC=CC[C@H]1c1ccc([C@@H]2CC=CC[C@@H]2[N+](=O)[O-])cc1	ZINC000017748531	564130597	/nfs/dbraw/zinc/13/05/97/564130597.db2.gz	SOGIRRBNOPURMC-XLAORIBOSA-N	0	0	328.368	3.844	40	5		EHBBRN
CCOc1cc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC	ZINC000008286226	564163992	/nfs/dbraw/zinc/16/39/92/564163992.db2.gz	YBVVDKJAMCNWOT-CSKARUKUSA-N	0	0	342.351	3.654	40	5		EHBBRN
CCCCc1nc2cc(N)c(C)nc2n1Cc1ccc([N+](=O)[O-])cc1	ZINC000035288573	213017992	/nfs/dbraw/zinc/01/79/92/213017992.db2.gz	FYLRGBXGFAYZQN-UHFFFAOYSA-N	0	0	339.399	3.621	40	5		EHBBRN
Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000217872103	241281064	/nfs/dbraw/zinc/28/10/64/241281064.db2.gz	QESVSTULRRBTHZ-GFCCVEGCSA-N	0	0	348.786	3.754	40	5		EHBBRN
Cc1cccc(NC(=S)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1C	ZINC000020417884	212126745	/nfs/dbraw/zinc/12/67/45/212126745.db2.gz	TWQGEXKBIXDUNO-UHFFFAOYSA-N	0	0	329.381	3.590	40	5		EHBBRN
COc1ccc(CCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000013674344	211604937	/nfs/dbraw/zinc/60/49/37/211604937.db2.gz	LKUBZIGORVUDIL-UHFFFAOYSA-N	0	0	348.786	3.619	40	5		EHBBRN
Cc1cc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n(-c2ccccc2)n1	ZINC000004838693	210293355	/nfs/dbraw/zinc/29/33/55/210293355.db2.gz	ALWGXUZKCDSMCN-UHFFFAOYSA-N	0	0	340.295	3.789	40	5		EHBBRN
CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccncc1	ZINC000005658879	563543992	/nfs/dbraw/zinc/54/39/92/563543992.db2.gz	GRACZZAETNJZAT-UHFFFAOYSA-N	0	0	341.396	3.561	40	5		EHBBRN
O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1ccccc1Cl	ZINC000000070898	563973637	/nfs/dbraw/zinc/97/36/37/563973637.db2.gz	WNVXPGJGTXGANB-ZROIWOOFSA-N	0	0	328.711	3.593	40	5		EHBBRN
Cc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])c(C(F)(F)F)c1	ZINC000000322366	563991085	/nfs/dbraw/zinc/99/10/85/563991085.db2.gz	MNZHAUYVOMBFRQ-UHFFFAOYSA-N	0	0	349.268	3.621	40	5		EHBBRN
COc1ccc(/C=C2\Sc3ccccc3NC2=O)cc1[N+](=O)[O-]	ZINC000409100403	563994159	/nfs/dbraw/zinc/99/41/59/563994159.db2.gz	NBKLQFZPHZDGJZ-DHDCSXOGSA-N	0	0	328.349	3.689	40	5		EHBBRN
C[C@]12C[C@H](NC(=O)N1c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1O2	ZINC000000427484	563998183	/nfs/dbraw/zinc/99/81/83/563998183.db2.gz	UCMINCSDUAUFOV-YOEHRIQHSA-N	0	0	343.314	3.504	40	5		EHBBRN
Cc1cccc(-c2nnc(-c3cccc(C)c3[N+](=O)[O-])o2)c1[N+](=O)[O-]	ZINC000073634448	564060872	/nfs/dbraw/zinc/06/08/72/564060872.db2.gz	ASCPRBBBLNOGDH-UHFFFAOYSA-N	0	0	340.295	3.837	40	5		EHBBRN
Cc1cc(OC(=O)COc2ccc([N+](=O)[O-])cc2)cc(C)c1Cl	ZINC000000118110	564065384	/nfs/dbraw/zinc/06/53/84/564065384.db2.gz	CCCDZOJVXARRSH-UHFFFAOYSA-N	0	0	335.743	3.849	40	5		EHBBRN
O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)C(Cl)(Cl)Cl	ZINC000006884176	564100541	/nfs/dbraw/zinc/10/05/41/564100541.db2.gz	SQHKSTCINJGDSA-UHFFFAOYSA-N	0	0	340.575	3.513	40	5		EHBBRN
Cc1cc(C(F)(F)F)nc(Sc2ccc([N+](=O)[O-])cc2C=O)n1	ZINC000096234523	564146064	/nfs/dbraw/zinc/14/60/64/564146064.db2.gz	TXVPLYKURDEVMY-UHFFFAOYSA-N	0	0	343.286	3.676	40	5		EHBBRN
CCOc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1	ZINC000030861141	564158011	/nfs/dbraw/zinc/15/80/11/564158011.db2.gz	NLZQSBGCJMZRJD-UHFFFAOYSA-N	0	0	334.759	3.577	40	5		EHBBRN
Cc1ccc(O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C	ZINC000008041239	564162366	/nfs/dbraw/zinc/16/23/66/564162366.db2.gz	IKCCWLQXPYHHQG-AWEZNQCLSA-N	0	0	328.368	3.926	40	5		EHBBRN
CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000044901428	213666977	/nfs/dbraw/zinc/66/69/77/213666977.db2.gz	HCEZTHPZVZNZSU-OAHLLOKOSA-N	0	0	348.330	3.539	40	5		EHBBRN
Cc1cc(-c2nc(-c3ccc(Br)o3)n[nH]2)ccc1[N+](=O)[O-]	ZINC000040169749	213278180	/nfs/dbraw/zinc/27/81/80/213278180.db2.gz	GSLIIBJSNBPMDV-UHFFFAOYSA-N	0	0	349.144	3.711	40	5		EHBBRN
Cc1cc(C)c([C@@H](C)NC(=O)Cc2ccccc2[N+](=O)[O-])cc1C	ZINC000223402212	241644096	/nfs/dbraw/zinc/64/40/96/241644096.db2.gz	SACCFLGYWOIDFL-OAHLLOKOSA-N	0	0	326.396	3.940	40	5		EHBBRN
C[C@H](CCc1ccccc1)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000225991838	242084428	/nfs/dbraw/zinc/08/44/28/242084428.db2.gz	PSCJQUWCOYKXGR-OAHLLOKOSA-N	0	0	338.407	3.764	40	5		EHBBRN
CCc1cc([N+](=O)[O-])cc(Br)c1N1C[C@@H](C)O[C@H](C)C1	ZINC000226315759	242098876	/nfs/dbraw/zinc/09/88/76/242098876.db2.gz	QFSLCXLYTNFXBT-NXEZZACHSA-N	0	0	343.221	3.533	40	5		EHBBRN
O=[N+]([O-])c1ccc(-c2ccc(-c3nnc(-c4ccccn4)o3)o2)cc1	ZINC000020721969	212163965	/nfs/dbraw/zinc/16/39/65/212163965.db2.gz	GNBZBTPJUZQWQE-UHFFFAOYSA-N	0	0	334.291	3.967	40	5		EHBBRN
CCCCc1ccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1	ZINC000020455097	212132323	/nfs/dbraw/zinc/13/23/23/212132323.db2.gz	YSYGPRRUKZTUIN-UHFFFAOYSA-N	0	0	348.424	3.879	40	5		EHBBRN
CCOC(=O)c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1	ZINC000085346860	217660003	/nfs/dbraw/zinc/66/00/03/217660003.db2.gz	WWUWNNUWSBJBAT-UHFFFAOYSA-N	0	0	340.129	3.794	40	5		EHBBRN
Cc1ccc(C(=O)NCCSCc2ccccc2F)cc1[N+](=O)[O-]	ZINC000010280143	211160294	/nfs/dbraw/zinc/16/02/94/211160294.db2.gz	DDAACLORDJIDJH-UHFFFAOYSA-N	0	0	348.399	3.706	40	5		EHBBRN
O=C(Nc1cccc([N+](=O)[O-])c1)c1coc2ccc([N+](=O)[O-])cc12	ZINC000408966809	257884893	/nfs/dbraw/zinc/88/48/93/257884893.db2.gz	OGXHPSSIVRBJMG-UHFFFAOYSA-N	0	0	327.252	3.502	40	5		EHBBRN
Cc1cc(NC(=S)NCCCc2ccccc2)ccc1[N+](=O)[O-]	ZINC000408585937	257895546	/nfs/dbraw/zinc/89/55/46/257895546.db2.gz	LGNFECUIBVHXQQ-UHFFFAOYSA-N	0	0	329.425	3.822	40	5		EHBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2ccc(F)cc2)on1	ZINC000123021705	222202800	/nfs/dbraw/zinc/20/28/00/222202800.db2.gz	UXZOQPXQRIFBFI-UHFFFAOYSA-N	0	0	341.298	3.950	40	5		EHBBRN
Cc1ccccc1O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000033624551	563993571	/nfs/dbraw/zinc/99/35/71/563993571.db2.gz	ZRPSNVQJPRPANB-NSHDSACASA-N	0	0	334.759	3.963	40	5		EHBBRN
CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000408705676	563993706	/nfs/dbraw/zinc/99/37/06/563993706.db2.gz	LECFMUCKTOPJCE-KRWDZBQOSA-N	0	0	344.367	3.708	40	5		EHBBRN
O=C(Nc1cccc([N+](=O)[O-])c1)c1cnn(-c2ccc(Cl)cc2)c1	ZINC000044332396	563995116	/nfs/dbraw/zinc/99/51/16/563995116.db2.gz	KSAZIHWNHMHSIJ-UHFFFAOYSA-N	0	0	342.742	3.686	40	5		EHBBRN
Cc1ccccc1-c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C	ZINC000000422797	563998229	/nfs/dbraw/zinc/99/82/29/563998229.db2.gz	QOIFNJSXMKJKIG-UHFFFAOYSA-N	0	0	340.408	3.991	40	5		EHBBRN
O=[N+]([O-])c1ccc(Sc2nc3ccccc3s2)c2nonc21	ZINC000000456707	563999747	/nfs/dbraw/zinc/99/97/47/563999747.db2.gz	ZQGPRQSGRGTBSP-UHFFFAOYSA-N	0	0	330.350	3.892	40	5		EHBBRN
C[C@H]1CC[C@@H]2CCCC[C@@H]2N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000002676490	564004002	/nfs/dbraw/zinc/00/40/02/564004002.db2.gz	HBLSRPRAUIYMFC-MKBNYLNASA-N	0	0	347.371	3.686	40	5		EHBBRN
COc1ccc2oc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2c1	ZINC000041306420	564024692	/nfs/dbraw/zinc/02/46/92/564024692.db2.gz	QERLXWLFSWUUGU-UHFFFAOYSA-N	0	0	326.308	3.910	40	5		EHBBRN
CCc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000223090100	564063107	/nfs/dbraw/zinc/06/31/07/564063107.db2.gz	AHXDGONLLDTDJO-CYBMUJFWSA-N	0	0	348.424	3.505	40	5		EHBBRN
Cc1ccccc1COc1cc2oc(=O)cc(C)c2cc1[N+](=O)[O-]	ZINC000001789752	564087547	/nfs/dbraw/zinc/08/75/47/564087547.db2.gz	VRQQPBPRONMLEW-UHFFFAOYSA-N	0	0	325.320	3.897	40	5		EHBBRN
CC(C)OC(=O)c1cc(Cl)c(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000070462192	564136194	/nfs/dbraw/zinc/13/61/94/564136194.db2.gz	OTKCQRZVTJKLJC-UHFFFAOYSA-N	0	0	326.780	3.804	40	5		EHBBRN
Cc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000003058149	564154806	/nfs/dbraw/zinc/15/48/06/564154806.db2.gz	QRTLDXHOORIAOI-UHFFFAOYSA-N	0	0	335.703	3.717	40	5		EHBBRN
CC(=O)Nc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1	ZINC000003845536	564159464	/nfs/dbraw/zinc/15/94/64/564159464.db2.gz	DVHXZLWEJPHDRW-GORDUTHDSA-N	0	0	327.296	3.632	40	5		EHBBRN
Cc1cc(C)cc(O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1	ZINC000008477944	564165381	/nfs/dbraw/zinc/16/53/81/564165381.db2.gz	UBDLYYLTAXEKFH-CQSZACIVSA-N	0	0	328.368	3.926	40	5		EHBBRN
O=Cc1cc([N+](=O)[O-])ccc1Sc1ccc(C(F)(F)F)cn1	ZINC000000153262	209456431	/nfs/dbraw/zinc/45/64/31/209456431.db2.gz	JMTLOJSDVQRZHJ-UHFFFAOYSA-N	0	0	328.271	3.972	40	5		EHBBRN
O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C/c1ccc(F)cc1	ZINC000000061790	209395404	/nfs/dbraw/zinc/39/54/04/209395404.db2.gz	NNVARCTVFPAEAD-VGOFMYFVSA-N	0	0	346.701	3.732	40	5		EHBBRN
COc1ccc([C@@H](C)NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000225990258	242083017	/nfs/dbraw/zinc/08/30/17/242083017.db2.gz	YAFWOJJFIJAFFW-CYBMUJFWSA-N	0	0	340.379	3.512	40	5		EHBBRN
COc1c2c(C)nn(-c3ccccc3)c2nc2ccc([N+](=O)[O-])cc21	ZINC000255188804	244047079	/nfs/dbraw/zinc/04/70/79/244047079.db2.gz	LTINRILOCJPDAW-UHFFFAOYSA-N	0	0	334.335	3.799	40	5		EHBBRN
O=C(CCc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccccc1	ZINC000016739579	211931739	/nfs/dbraw/zinc/93/17/39/211931739.db2.gz	ARVSHHIIXOHSSB-UHFFFAOYSA-N	0	0	327.365	3.776	40	5		EHBBRN
O=c1sc2ccccc2c(Nc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-]	ZINC000012360137	211356258	/nfs/dbraw/zinc/35/62/58/211356258.db2.gz	XRYRDFSILVDEJJ-UHFFFAOYSA-N	0	0	343.320	3.822	40	5		EHBBRN
CCOc1ccccc1CCCNC(=O)c1cccc([N+](=O)[O-])c1C	ZINC000010110851	211148885	/nfs/dbraw/zinc/14/88/85/211148885.db2.gz	RWWICIMBPSNHGD-UHFFFAOYSA-N	0	0	342.395	3.665	40	5		EHBBRN
COc1ccc(OCCNc2ccc([N+](=O)[O-])c3cccnc23)cc1	ZINC000042656070	257854214	/nfs/dbraw/zinc/85/42/14/257854214.db2.gz	LJFNLGKSVGESKZ-UHFFFAOYSA-N	0	0	339.351	3.643	40	5		EHBBRN
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1cccnc1Cl	ZINC000009141754	257861897	/nfs/dbraw/zinc/86/18/97/257861897.db2.gz	TUNCGVVGYXWBOH-UHFFFAOYSA-N	0	0	326.139	3.857	40	5		EHBBRN
CCCSc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)s1	ZINC000040969943	564172649	/nfs/dbraw/zinc/17/26/49/564172649.db2.gz	JXGIIDBWOGNYBS-UHFFFAOYSA-N	0	0	338.414	3.509	40	5		EHBBRN
CC[C@H](C)n1c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2n([C@@H](C)CC)c1=O	ZINC000059639393	563645648	/nfs/dbraw/zinc/64/56/48/563645648.db2.gz	MTRPHESKOKPZRO-UWVGGRQHSA-N	0	0	336.348	3.561	40	5		EHBBRN
O=[N+]([O-])c1ccc2nc(NCc3ccc4c(c3)OCO4)sc2c1	ZINC000000032054	563967540	/nfs/dbraw/zinc/96/75/40/563967540.db2.gz	PRTNKRHDHCTHAP-UHFFFAOYSA-N	0	0	329.337	3.545	40	5		EHBBRN
CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccccc1Cl	ZINC000000245410	563989129	/nfs/dbraw/zinc/98/91/29/563989129.db2.gz	KOWVVVNODPPTCI-QGZVFWFLSA-N	0	0	343.770	3.946	40	5		EHBBRN
Cc1ccc(C)c(-c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)nn2)c1	ZINC000408528619	563993170	/nfs/dbraw/zinc/99/31/70/563993170.db2.gz	KBKLSFJOMGXQGJ-UHFFFAOYSA-N	0	0	349.346	3.888	40	5		EHBBRN
Cc1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1Br	ZINC000005679887	564017676	/nfs/dbraw/zinc/01/76/76/564017676.db2.gz	RGCISOYONOKVJN-UHFFFAOYSA-N	0	0	349.184	3.847	40	5		EHBBRN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2ccccc2c1	ZINC000014401094	564023391	/nfs/dbraw/zinc/02/33/91/564023391.db2.gz	VTPWXLHORGIXQM-UHFFFAOYSA-N	0	0	342.376	3.857	40	5		EHBBRN
O=[N+]([O-])c1ccccc1CNc1cc(Cl)nc(C(F)(F)F)n1	ZINC000318891379	564024946	/nfs/dbraw/zinc/02/49/46/564024946.db2.gz	HOMPWAFAIRQRLF-UHFFFAOYSA-N	0	0	332.669	3.669	40	5		EHBBRN
CCc1ccccc1O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000044849482	564027431	/nfs/dbraw/zinc/02/74/31/564027431.db2.gz	DHLMGNHXZCBCMF-GFCCVEGCSA-N	0	0	344.367	3.572	40	5		EHBBRN
COc1ccc(Br)cc1/C=C\c1onc(C)c1[N+](=O)[O-]	ZINC000034868592	564057000	/nfs/dbraw/zinc/05/70/00/564057000.db2.gz	IKEMNQHARJLXHM-HYXAFXHYSA-N	0	0	339.145	3.833	40	5		EHBBRN
O=c1nc(-c2ccc([N+](=O)[O-])cc2)[nH]c2sc3c(c21)CCCCC3	ZINC000000376740	564078090	/nfs/dbraw/zinc/07/80/90/564078090.db2.gz	HVCKYQQLWAXEGB-UHFFFAOYSA-N	0	0	341.392	3.829	40	5		EHBBRN
CC[NH+](CC)Cc1c(C)cccc1OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001688822	564082288	/nfs/dbraw/zinc/08/22/88/564082288.db2.gz	UENIKQOBLVPUPA-UHFFFAOYSA-N	0	0	342.395	3.964	40	5		EHBBRN
Cc1cccc(OCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1C	ZINC000223900989	564082640	/nfs/dbraw/zinc/08/26/40/564082640.db2.gz	RKNAJLNETNHURC-UHFFFAOYSA-N	0	0	348.786	3.674	40	5		EHBBRN
Cc1ccc(C)c(OCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1	ZINC000223980369	564082859	/nfs/dbraw/zinc/08/28/59/564082859.db2.gz	YBQKPEQCFMPWJA-UHFFFAOYSA-N	0	0	348.786	3.674	40	5		EHBBRN
Cc1ccc(C)c(OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1	ZINC000223980273	564082880	/nfs/dbraw/zinc/08/28/80/564082880.db2.gz	IVTLFARPBLVXHY-UHFFFAOYSA-N	0	0	348.786	3.674	40	5		EHBBRN
COc1ccccc1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000006309447	564083727	/nfs/dbraw/zinc/08/37/27/564083727.db2.gz	BGUYPFWACABRIR-JTQLQIEISA-N	0	0	334.759	3.748	40	5		EHBBRN
COc1cccc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC)oc21	ZINC000008960612	564134167	/nfs/dbraw/zinc/13/41/67/564134167.db2.gz	LGOKQZFWLCMOQY-UHFFFAOYSA-N	0	0	342.307	3.611	40	5		EHBBRN
Cc1c(Nc2cc(Cl)nc(-c3cccnc3)n2)cccc1[N+](=O)[O-]	ZINC000329023019	564137596	/nfs/dbraw/zinc/13/75/96/564137596.db2.gz	OQHVGHZFVNKFFG-UHFFFAOYSA-N	0	0	341.758	3.574	40	5		EHBBRN
COc1cc2c(c(O)c1OCC=C(C)C)c(=O)c1ccccc1n2C	ZINC000104081036	219345362	/nfs/dbraw/zinc/34/53/62/219345362.db2.gz	PZWVSWMYDQOTPB-UHFFFAOYSA-N	0	0	339.391	3.751	40	5		EHBBRN
CCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl	ZINC000038751976	213223132	/nfs/dbraw/zinc/22/31/32/213223132.db2.gz	CKJDWLNSUCQBHD-UHFFFAOYSA-N	0	0	348.742	3.677	40	5		EHBBRN
CN(CCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1	ZINC000070746446	215711180	/nfs/dbraw/zinc/71/11/80/215711180.db2.gz	CWWJZUYMUCANKH-UHFFFAOYSA-N	0	0	347.802	3.505	40	5		EHBBRN
Cc1ccccc1OC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000218124171	241300634	/nfs/dbraw/zinc/30/06/34/241300634.db2.gz	RMGMFIKXYBFUDN-GFCCVEGCSA-N	0	0	348.786	3.754	40	5		EHBBRN
CC[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(OC)cc1	ZINC000020491981	212139693	/nfs/dbraw/zinc/13/96/93/212139693.db2.gz	AXYRBTCCFZMSHU-VWGXWWAPSA-N	0	0	340.379	3.884	40	5		EHBBRN
COc1ccc(CN(C)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000014820096	211767139	/nfs/dbraw/zinc/76/71/39/211767139.db2.gz	NLUYGZHWFIFQOR-UHFFFAOYSA-N	0	0	334.759	3.529	40	5		EHBBRN
Cc1c(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cccc1[N+](=O)[O-]	ZINC000010542960	211180306	/nfs/dbraw/zinc/18/03/06/211180306.db2.gz	IORDIQKKNAKNAX-OAHLLOKOSA-N	0	0	340.379	3.935	40	5		EHBBRN
CN(C)C(=S)Sc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-]	ZINC000006637565	210667059	/nfs/dbraw/zinc/66/70/59/210667059.db2.gz	JWURLVRNFNZKPI-UHFFFAOYSA-N	0	0	346.433	3.764	40	5		EHBBRN
Nc1[nH]c(=S)nc2nc3c4ccccc4c4ccccc4c3nc12	ZINC000005594246	210497651	/nfs/dbraw/zinc/49/76/51/210497651.db2.gz	YSHUTFYZOMSYNL-UHFFFAOYSA-N	0	0	329.388	3.750	40	5		EHBBRN
COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccccc3F)nc21	ZINC000006627817	257866241	/nfs/dbraw/zinc/86/62/41/257866241.db2.gz	NDTVINGHKGTXDG-UHFFFAOYSA-N	0	0	347.327	3.605	40	5		EHBBRN
O=C1S/C(=C/c2ccc([N+](=O)[O-])o2)C(=O)N1CC1CCCCC1	ZINC000409142474	257877358	/nfs/dbraw/zinc/87/73/58/257877358.db2.gz	ACDXDHRAZBISSD-XYOKQWHBSA-N	0	0	336.369	3.804	40	5		EHBBRN
CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1cccc([N+](=O)[O-])c1C	ZINC000072228668	257913874	/nfs/dbraw/zinc/91/38/74/257913874.db2.gz	VNOCQCLCYJOZSH-UHFFFAOYSA-N	0	0	343.339	3.935	40	5		EHBBRN
Cc1cc(-c2ccc(/C=C3/SC(=N)NC3=O)o2)c([N+](=O)[O-])cc1C	ZINC000016268024	563807569	/nfs/dbraw/zinc/80/75/69/563807569.db2.gz	SQMLJSIEDIGRNA-VGOFMYFVSA-N	0	0	343.364	3.610	40	5		EHBBRN
CCOC(=O)c1ccc(C)c(NC(=O)c2cccc([N+](=O)[O-])c2C)c1	ZINC000013612841	563930654	/nfs/dbraw/zinc/93/06/54/563930654.db2.gz	OWDHCXNLJAYULI-UHFFFAOYSA-N	0	0	342.351	3.641	40	5		EHBBRN
O=c1oc2ccccc2cc1C1=NO[C@@H](c2cccc([N+](=O)[O-])c2)C1	ZINC000005604921	564006246	/nfs/dbraw/zinc/00/62/46/564006246.db2.gz	BXYZWHWEHTVZHD-QGZVFWFLSA-N	0	0	336.303	3.567	40	5		EHBBRN
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2nc3ccccc3nc2c1	ZINC000096582959	564051289	/nfs/dbraw/zinc/05/12/89/564051289.db2.gz	XDLKXIODZIMESB-UHFFFAOYSA-N	0	0	344.330	3.944	40	5		EHBBRN
C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccc([N+](=O)[O-])c2)S1	ZINC000222561289	564054163	/nfs/dbraw/zinc/05/41/63/564054163.db2.gz	UEHHLGFSRQTRIJ-LYRGGWFBSA-N	0	0	340.408	3.579	40	5		EHBBRN
Cc1c(NC(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-]	ZINC000005921606	564057018	/nfs/dbraw/zinc/05/70/18/564057018.db2.gz	CEEKBQWPZDCOCZ-UHFFFAOYSA-N	0	0	335.157	3.918	40	5		EHBBRN
O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccc2ccccc2c1	ZINC000160345027	564076013	/nfs/dbraw/zinc/07/60/13/564076013.db2.gz	PLMILZBUNXPLTA-UHFFFAOYSA-N	0	0	339.376	3.874	40	5		EHBBRN
O=C(CSCc1ccc([N+](=O)[O-])cc1)NCCCc1ccccc1	ZINC000007093574	564104833	/nfs/dbraw/zinc/10/48/33/564104833.db2.gz	LMJFIKSIPPOPJK-UHFFFAOYSA-N	0	0	344.436	3.577	40	5		EHBBRN
O=C(Nc1nnc(C2CCCCC2)s1)c1ccccc1[N+](=O)[O-]	ZINC000016722071	564112820	/nfs/dbraw/zinc/11/28/20/564112820.db2.gz	ACYPHXHLPGMKSJ-UHFFFAOYSA-N	0	0	332.385	3.746	40	5		EHBBRN
Cc1cc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)ccc1[N+](=O)[O-]	ZINC000010542981	564134662	/nfs/dbraw/zinc/13/46/62/564134662.db2.gz	NUXWMLLUZKNJCN-HNNXBMFYSA-N	0	0	340.379	3.935	40	5		EHBBRN
O=[N+]([O-])c1ccc(CNc2cc(Cl)nc(C(F)(F)F)n2)cc1	ZINC000318456086	564136089	/nfs/dbraw/zinc/13/60/89/564136089.db2.gz	HBVDHGJQJANMMI-UHFFFAOYSA-N	0	0	332.669	3.669	40	5		EHBBRN
CC(=O)Nc1ccccc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000003148515	564155452	/nfs/dbraw/zinc/15/54/52/564155452.db2.gz	XUJYSBRPYIQBSE-UHFFFAOYSA-N	0	0	333.325	3.613	40	5		EHBBRN
O=[N+]([O-])c1ccc(CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1	ZINC000058948230	564160102	/nfs/dbraw/zinc/16/01/02/564160102.db2.gz	ZRNQUGJQFHOYFA-UHFFFAOYSA-N	0	0	330.325	3.672	40	5		EHBBRN
Cc1cc(-c2n[nH]c(COc3ccc(Cl)cc3)n2)ccc1[N+](=O)[O-]	ZINC000040169707	213278316	/nfs/dbraw/zinc/27/83/16/213278316.db2.gz	JCDILWRWTIZHIN-UHFFFAOYSA-N	0	0	344.758	3.921	40	5		EHBBRN
COc1cccc(CNc2ncc(C(F)(F)F)cc2[N+](=O)[O-])c1	ZINC000039956773	213246334	/nfs/dbraw/zinc/24/63/34/213246334.db2.gz	VYCGXOKDWUVBKK-UHFFFAOYSA-N	0	0	327.262	3.629	40	5		EHBBRN
O=C(Cc1ccccc1[N+](=O)[O-])NCCCc1ccccc1Cl	ZINC000107189955	219750521	/nfs/dbraw/zinc/75/05/21/219750521.db2.gz	DQBVTECFDHZFOC-UHFFFAOYSA-N	0	0	332.787	3.540	40	5		EHBBRN
COc1ccccc1-c1noc(-c2ccc(Cl)c([N+](=O)[O-])c2)n1	ZINC000022120128	212277882	/nfs/dbraw/zinc/27/78/82/212277882.db2.gz	QLNWXWMLJUFQQC-UHFFFAOYSA-N	0	0	331.715	3.974	40	5		EHBBRN
COc1ccccc1-c1noc(-c2cc([N+](=O)[O-])ccc2Cl)n1	ZINC000022120184	212277964	/nfs/dbraw/zinc/27/79/64/212277964.db2.gz	DUVIVRHJYQVMOG-UHFFFAOYSA-N	0	0	331.715	3.974	40	5		EHBBRN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1n[nH]c(C(F)F)n1	ZINC000216904567	241219865	/nfs/dbraw/zinc/21/98/65/241219865.db2.gz	XOPRHKYJTZBXDP-UHFFFAOYSA-N	0	0	340.233	3.821	40	5		EHBBRN
Cc1c(CO)c2ccccc2n1C(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000216961054	241227141	/nfs/dbraw/zinc/22/71/41/241227141.db2.gz	YLCWTUFYHZCROG-UHFFFAOYSA-N	0	0	344.754	3.692	40	5		EHBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1cccc2c1CCCC2	ZINC000224137297	241731390	/nfs/dbraw/zinc/73/13/90/241731390.db2.gz	FYYZNOQMIAEWIW-UHFFFAOYSA-N	0	0	340.379	3.800	40	5		EHBBRN
COc1ccc(NC(=O)CSc2ccc(C)cc2[N+](=O)[O-])cc1	ZINC000019894527	212081025	/nfs/dbraw/zinc/08/10/25/212081025.db2.gz	FGGGGOAJNJFJFG-UHFFFAOYSA-N	0	0	332.381	3.643	40	5		EHBBRN
CC(C)(C)c1ccc(OCCNC(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000007269860	210777010	/nfs/dbraw/zinc/77/70/10/210777010.db2.gz	DGFLCEDHKHZWBY-UHFFFAOYSA-N	0	0	342.395	3.701	40	5		EHBBRN
CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O	ZINC000408807638	257888590	/nfs/dbraw/zinc/88/85/90/257888590.db2.gz	DBKDMZMAHAYJQF-MDWZMJQESA-N	0	0	330.321	3.521	40	5		EHBBRN
Cc1c(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cccc1[N+](=O)[O-]	ZINC000008560755	257862570	/nfs/dbraw/zinc/86/25/70/257862570.db2.gz	KAKWZCXCGVYNGU-UHFFFAOYSA-N	0	0	342.351	3.721	40	5		EHBBRN
CC(C)Oc1cccc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000013670341	563931712	/nfs/dbraw/zinc/93/17/12/563931712.db2.gz	OQSOCVGYYBCKOT-UHFFFAOYSA-N	0	0	348.786	3.965	40	5		EHBBRN
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC12CC3CC(CC(C3)C1)C2	ZINC000005557379	564005285	/nfs/dbraw/zinc/00/52/85/564005285.db2.gz	NJJDVYQTPSPPSP-SNAWJCMRSA-N	0	0	326.396	3.693	40	5		EHBBRN
O=[N+]([O-])c1ccccc1Nc1ccc(I)cc1	ZINC000034441489	564006384	/nfs/dbraw/zinc/00/63/84/564006384.db2.gz	WXQWIEACEMJRDB-UHFFFAOYSA-N	0	0	340.120	3.943	40	5		EHBBRN
COc1cc2c(cc1NC(=O)c1cccc([N+](=O)[O-])c1)CCCC2	ZINC000408924310	564008049	/nfs/dbraw/zinc/00/80/49/564008049.db2.gz	HLEOLJWAWZXYJG-UHFFFAOYSA-N	0	0	326.352	3.735	40	5		EHBBRN
Cc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1C	ZINC000014399530	564022375	/nfs/dbraw/zinc/02/23/75/564022375.db2.gz	HZEHNOGQPHOBDV-UHFFFAOYSA-N	0	0	334.759	3.883	40	5		EHBBRN
CN(Cc1ccc(Cl)cc1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1	ZINC000024664693	564033218	/nfs/dbraw/zinc/03/32/18/564033218.db2.gz	BULJOZUXQGWSBB-IZZDOVSWSA-N	0	0	330.771	3.920	40	5		EHBBRN
CCCc1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1	ZINC000223437034	564074310	/nfs/dbraw/zinc/07/43/10/564074310.db2.gz	OWIXHRSRUAIFAY-UHFFFAOYSA-N	0	0	342.395	3.665	40	5		EHBBRN
C[C@@H]([C@@H](CC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1)[N+](=O)[O-]	ZINC000001667280	564082133	/nfs/dbraw/zinc/08/21/33/564082133.db2.gz	JSLKOOHYAWTKNJ-BLLLJJGKSA-N	0	0	328.324	3.617	40	5		EHBBRN
COc1ccc([N+](=O)[O-])cc1[C@@H]1Nc2ccccc2[C@@H]2OCC[C@@H]21	ZINC000006954192	564126314	/nfs/dbraw/zinc/12/63/14/564126314.db2.gz	QRQFNMBXVKGTFE-XWIAVFTESA-N	0	0	326.352	3.848	40	5		EHBBRN
Cc1c(NC(=O)c2ccc(N3CCCC3)cc2)cccc1[N+](=O)[O-]	ZINC000007383198	564126695	/nfs/dbraw/zinc/12/66/95/564126695.db2.gz	GCLMZSJTYODPIY-UHFFFAOYSA-N	0	0	325.368	3.756	40	5		EHBBRN
Cn1c(Cc2ccccc2)nnc1SCc1cccc([N+](=O)[O-])c1	ZINC000011975870	564127834	/nfs/dbraw/zinc/12/78/34/564127834.db2.gz	QBMVSNNKNLFNOA-UHFFFAOYSA-N	0	0	340.408	3.606	40	5		EHBBRN
CCOC(=O)c1cc(Cl)c(N2CCC(C)CC2)c([N+](=O)[O-])c1	ZINC000070462581	564136183	/nfs/dbraw/zinc/13/61/83/564136183.db2.gz	GPFVPFWPTRXVFG-UHFFFAOYSA-N	0	0	326.780	3.661	40	5		EHBBRN
Cc1ccc(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C	ZINC000021378445	564145394	/nfs/dbraw/zinc/14/53/94/564145394.db2.gz	GWKNMABXZRLDKE-CQSZACIVSA-N	0	0	328.368	3.926	40	5		EHBBRN
Cc1cccc(OCCNc2c3ccccc3oc(=O)c2[N+](=O)[O-])c1	ZINC000059488878	564161369	/nfs/dbraw/zinc/16/13/69/564161369.db2.gz	LMDCKEBAPYIDRA-UHFFFAOYSA-N	0	0	340.335	3.501	40	5		EHBBRN
CC(C)[C@]12C=C[C@](C)(CC1)n1c(=O)c3cc4ccccc4cc3c(=O)n12	ZINC000001631676	209770776	/nfs/dbraw/zinc/77/07/76/209770776.db2.gz	GTQKGZSMBCWFAA-YADHBBJMSA-N	0	0	346.430	3.747	40	5		EHBBRN
O=[N+]([O-])c1cccc(-c2n[nH]c(COc3ccc(Cl)cc3)n2)c1	ZINC000040169561	213277961	/nfs/dbraw/zinc/27/79/61/213277961.db2.gz	FSAHNMJALWIGIN-UHFFFAOYSA-N	0	0	330.731	3.612	40	5		EHBBRN
CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccc(C)cc1	ZINC000000287797	209518912	/nfs/dbraw/zinc/51/89/12/209518912.db2.gz	WQBCQZJYEXOBET-UHFFFAOYSA-N	0	0	326.381	3.873	40	5		EHBBRN
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000217862287	241279745	/nfs/dbraw/zinc/27/97/45/241279745.db2.gz	XFEDMVAFPWTHDD-INIZCTEOSA-N	0	0	340.379	3.935	40	5		EHBBRN
CCOc1ccc(CCCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000217941627	241286128	/nfs/dbraw/zinc/28/61/28/241286128.db2.gz	OQUBIAYCUAMVER-UHFFFAOYSA-N	0	0	342.395	3.665	40	5		EHBBRN
C[C@H](CNC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000223408043	241646459	/nfs/dbraw/zinc/64/64/59/241646459.db2.gz	YKIUGTFTZLVPNZ-CQSZACIVSA-N	0	0	344.436	3.748	40	5		EHBBRN
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc3ccccc32)ccc1F	ZINC000226863028	242117869	/nfs/dbraw/zinc/11/78/69/242117869.db2.gz	FYHHCVJIDRIBKM-UHFFFAOYSA-N	0	0	346.339	3.688	40	5		EHBBRN
CCOc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1OC	ZINC000015409274	211822422	/nfs/dbraw/zinc/82/24/22/211822422.db2.gz	WPIQCAAESQALFC-UHFFFAOYSA-N	0	0	330.340	3.563	40	5		EHBBRN
Cc1ccc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C	ZINC000021378448	257855740	/nfs/dbraw/zinc/85/57/40/257855740.db2.gz	GWKNMABXZRLDKE-AWEZNQCLSA-N	0	0	328.368	3.926	40	5		EHBBRN
O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1c(F)cccc1F	ZINC000006480275	563992563	/nfs/dbraw/zinc/99/25/63/563992563.db2.gz	ODEHQFZVCBYOQG-UHFFFAOYSA-N	0	0	338.335	3.745	40	5		EHBBRN
CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1C	ZINC000408703105	563993682	/nfs/dbraw/zinc/99/36/82/563993682.db2.gz	NCEXCCBJADFHJV-QGZVFWFLSA-N	0	0	344.367	3.708	40	5		EHBBRN
C[C@H](CNc1ccc([N+](=O)[O-])cc1)Oc1nonc1-c1ccccc1	ZINC000005357295	564002859	/nfs/dbraw/zinc/00/28/59/564002859.db2.gz	SZOKHSHKGCIPJY-GFCCVEGCSA-N	0	0	340.339	3.524	40	5		EHBBRN
CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O	ZINC000408817348	564007387	/nfs/dbraw/zinc/00/73/87/564007387.db2.gz	LJAJZQXLERIQQG-MDWZMJQESA-N	0	0	330.321	3.521	40	5		EHBBRN
O=[N+]([O-])c1cc(Cl)cc2c3ccccc3c(NCCCO)nc21	ZINC000031719659	564016810	/nfs/dbraw/zinc/01/68/10/564016810.db2.gz	QSWALLJYPODQLP-UHFFFAOYSA-N	0	0	331.759	3.744	40	5		EHBBRN
O=[N+]([O-])c1cccc(-c2n[nH]c(CCNc3ccc(Cl)cc3)n2)c1	ZINC000062719068	564019019	/nfs/dbraw/zinc/01/90/19/564019019.db2.gz	OLQUONRALGMJTE-UHFFFAOYSA-N	0	0	343.774	3.688	40	5		EHBBRN
Cc1c(NC(=O)CSCc2ccccc2F)cccc1[N+](=O)[O-]	ZINC000222702314	564054387	/nfs/dbraw/zinc/05/43/87/564054387.db2.gz	ZLQTZTBVNYTRGM-UHFFFAOYSA-N	0	0	334.372	3.914	40	5		EHBBRN
O=[N+]([O-])c1ccc(SNCCc2c[nH]c3ccc(O)cc23)cc1	ZINC000005896119	564056833	/nfs/dbraw/zinc/05/68/33/564056833.db2.gz	CQCDBPZGIIAWGW-UHFFFAOYSA-N	0	0	329.381	3.621	40	5		EHBBRN
C[C@@H]([C@H](CC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1)[N+](=O)[O-]	ZINC000001667282	564082119	/nfs/dbraw/zinc/08/21/19/564082119.db2.gz	JSLKOOHYAWTKNJ-LRDDRELGSA-N	0	0	328.324	3.617	40	5		EHBBRN
Cc1c(C(=O)Nc2nnc(SC(C)C)s2)cccc1[N+](=O)[O-]	ZINC000007319454	564106606	/nfs/dbraw/zinc/10/66/06/564106606.db2.gz	VEXPMYLSKDXSQK-UHFFFAOYSA-N	0	0	338.414	3.508	40	5		EHBBRN
CCc1ccc(N(CC)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1	ZINC000225079265	564125322	/nfs/dbraw/zinc/12/53/22/564125322.db2.gz	ZAUIYHGQPAALQW-UHFFFAOYSA-N	0	0	348.424	3.681	40	5		EHBBRN
Cc1noc(/C=C\c2ccc(O)c(Br)c2)c1[N+](=O)[O-]	ZINC000106015515	564128704	/nfs/dbraw/zinc/12/87/04/564128704.db2.gz	AQBAVKGPXRLHCX-HYXAFXHYSA-N	0	0	325.118	3.530	40	5		EHBBRN
Cc1c(NC(=O)Cc2cccc(Br)c2)cccc1[N+](=O)[O-]	ZINC000225615906	564149979	/nfs/dbraw/zinc/14/99/79/564149979.db2.gz	GQECYQHFIRXOGC-UHFFFAOYSA-N	0	0	349.184	3.847	40	5		EHBBRN
CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC	ZINC000008266777	564163852	/nfs/dbraw/zinc/16/38/52/564163852.db2.gz	DKGVZWRXVIUZMU-UHFFFAOYSA-N	0	0	330.340	3.563	40	5		EHBBRN
CCN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000055679484	214337360	/nfs/dbraw/zinc/33/73/60/214337360.db2.gz	QXLUMLWHEITRNQ-UHFFFAOYSA-N	0	0	348.424	3.735	40	5		EHBBRN
COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1SCc1ccccc1	ZINC000003851317	210080556	/nfs/dbraw/zinc/08/05/56/210080556.db2.gz	FKJGQRWTYBAWNU-UHFFFAOYSA-N	0	0	348.336	3.582	40	5		EHBBRN
COc1cc(Nc2ccc(C(C)=O)cc2[N+](=O)[O-])cc(OC)c1OC	ZINC000068838972	215339564	/nfs/dbraw/zinc/33/95/64/215339564.db2.gz	OPJCBOOQTCMUPB-UHFFFAOYSA-N	0	0	346.339	3.567	40	5		EHBBRN
COc1ccccc1CNc1cc(Br)ccc1[N+](=O)[O-]	ZINC000039956376	213246311	/nfs/dbraw/zinc/24/63/11/213246311.db2.gz	DRKILZOMAHDTAE-UHFFFAOYSA-N	0	0	337.173	3.978	40	5		EHBBRN
Cc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(C)c1	ZINC000000577688	209671882	/nfs/dbraw/zinc/67/18/82/209671882.db2.gz	JWURGMQHODIVQC-UHFFFAOYSA-N	0	0	334.759	3.883	40	5		EHBBRN
O=[N+]([O-])c1ccc(OCc2ccc(Cl)cc2Cl)c(CO)c1	ZINC000035414909	213026354	/nfs/dbraw/zinc/02/63/54/213026354.db2.gz	ICBVIFILJDDTSK-UHFFFAOYSA-N	0	0	328.151	3.973	40	5		EHBBRN
CCOc1cc(CO)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	ZINC000034772865	212986525	/nfs/dbraw/zinc/98/65/25/212986525.db2.gz	DEICVABEGXPEPT-UHFFFAOYSA-N	0	0	337.759	3.718	40	5		EHBBRN
COc1cccc(C(=O)Nc2cc(N(C)C)c([N+](=O)[O-])cc2Cl)c1	ZINC000072229568	216071329	/nfs/dbraw/zinc/07/13/29/216071329.db2.gz	AIHYYDYHTYCVSS-UHFFFAOYSA-N	0	0	349.774	3.575	40	5		EHBBRN
Cc1ccc(C(=O)Nc2nnc(-c3cccc([N+](=O)[O-])c3)s2)cc1	ZINC000000344560	209543082	/nfs/dbraw/zinc/54/30/82/209543082.db2.gz	JVCURZFOBPKZAC-UHFFFAOYSA-N	0	0	340.364	3.674	40	5		EHBBRN
Cc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)c1	ZINC000020408028	212126356	/nfs/dbraw/zinc/12/63/56/212126356.db2.gz	JRTUVAPBHYNBGS-UHFFFAOYSA-N	0	0	340.364	3.674	40	5		EHBBRN
CCCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1	ZINC000007649253	210825140	/nfs/dbraw/zinc/82/51/40/210825140.db2.gz	NYGNFTUKBDLBGF-UHFFFAOYSA-N	0	0	330.340	3.645	40	5		EHBBRN
Cc1nc(Sc2ccc([N+](=O)[O-])cc2C=O)nc2c1CCCC2	ZINC000409274920	257873208	/nfs/dbraw/zinc/87/32/08/257873208.db2.gz	RFDIDAKADXOPBQ-UHFFFAOYSA-N	0	0	329.381	3.536	40	5		EHBBRN
CCOC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c(C)c1	ZINC000013669976	257912230	/nfs/dbraw/zinc/91/22/30/257912230.db2.gz	RRNQQCBZJFWMOS-UHFFFAOYSA-N	0	0	342.351	3.641	40	5		EHBBRN
Cc1ccc(-c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)nn2)cc1	ZINC000408530774	563993184	/nfs/dbraw/zinc/99/31/84/563993184.db2.gz	RLCLQSMHOKELMF-UHFFFAOYSA-N	0	0	335.319	3.579	40	5		EHBBRN
Cc1ccc(C)c(-c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])nn2)c1	ZINC000408532394	563993372	/nfs/dbraw/zinc/99/33/72/563993372.db2.gz	XPAZZMZXCXSWKT-UHFFFAOYSA-N	0	0	349.346	3.888	40	5		EHBBRN
CC1(C)[C@H]2CC[C@]1(C)[C@H](Sc1nc3cc([N+](=O)[O-])ccc3[nH]1)C2=O	ZINC000005482351	564004583	/nfs/dbraw/zinc/00/45/83/564004583.db2.gz	KHPGLTYCNYHVLU-NCAQKEMTSA-N	0	0	345.424	3.957	40	5		EHBBRN
S=C(Nc1cc2cccnc2c2ncccc12)N1CCSCC1	ZINC000408974478	564008483	/nfs/dbraw/zinc/00/84/83/564008483.db2.gz	AGHYEJMZHSUROX-UHFFFAOYSA-N	0	0	340.477	3.529	40	5		EHBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc2ccccc2[nH]1	ZINC000005628233	564014222	/nfs/dbraw/zinc/01/42/22/564014222.db2.gz	PIXMXMFEGTVQRT-UHFFFAOYSA-N	0	0	342.380	3.510	40	5		EHBBRN
Cc1ccc(OCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1C	ZINC000223434561	564074312	/nfs/dbraw/zinc/07/43/12/564074312.db2.gz	QRZVQQQLDSMJJM-UHFFFAOYSA-N	0	0	348.786	3.674	40	5		EHBBRN
O=[N+]([O-])c1ccccc1N1CCN(c2ccc(Cl)cc2F)CC1	ZINC000575435711	564079348	/nfs/dbraw/zinc/07/93/48/564079348.db2.gz	NDAPDTUMWLXZJR-UHFFFAOYSA-N	0	0	335.766	3.714	40	5		EHBBRN
Cc1cc(C(=O)Nc2nc3ccc(F)cc3s2)ccc1[N+](=O)[O-]	ZINC000001839329	564088748	/nfs/dbraw/zinc/08/87/48/564088748.db2.gz	ZNAUHYACLNMLCT-UHFFFAOYSA-N	0	0	331.328	3.904	40	5		EHBBRN
O=[N+]([O-])c1cccc(Nc2nc(Cl)nc(NC3CCCC3)n2)c1	ZINC000138476900	564097347	/nfs/dbraw/zinc/09/73/47/564097347.db2.gz	FTIMQABAVCTVAV-UHFFFAOYSA-N	0	0	334.767	3.531	40	5		EHBBRN
COc1ccccc1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000192827509	564099291	/nfs/dbraw/zinc/09/92/91/564099291.db2.gz	WEYQFMYYYHQJKC-UHFFFAOYSA-N	0	0	334.759	3.529	40	5		EHBBRN
CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc2ccccc2c1	ZINC000225059189	564125314	/nfs/dbraw/zinc/12/53/14/564125314.db2.gz	KUNVNYCWBBBQIU-UHFFFAOYSA-N	0	0	342.376	3.573	40	5		EHBBRN
O=[N+]([O-])c1ccc(Sc2nnc(-c3ccccc3)o2)c([N+](=O)[O-])c1	ZINC000006890403	564126247	/nfs/dbraw/zinc/12/62/47/564126247.db2.gz	JSBVPDRGBYPLCX-UHFFFAOYSA-N	0	0	344.308	3.704	40	5		EHBBRN
CC1(C)COc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2OC1	ZINC000225360890	564134286	/nfs/dbraw/zinc/13/42/86/564134286.db2.gz	CJCCNCNNJRBASQ-UHFFFAOYSA-N	0	0	342.351	3.645	40	5		EHBBRN
O=[N+]([O-])c1c2nsnc2ccc1N1CC[C@@H](c2ccccc2)C1	ZINC000004257248	210154234	/nfs/dbraw/zinc/15/42/34/210154234.db2.gz	ZCXSTXYTRRPAPG-GFCCVEGCSA-N	0	0	326.381	3.593	40	5		EHBBRN
O=[N+]([O-])c1c(Br)ccnc1NCc1cccc(F)c1	ZINC000039956668	213246179	/nfs/dbraw/zinc/24/61/79/213246179.db2.gz	CPJXYOLJNHXFRL-UHFFFAOYSA-N	0	0	326.125	3.504	40	5		EHBBRN
Cc1ccc(-c2nnc(-c3ccc(C)c([N+](=O)[O-])c3)o2)cc1[N+](=O)[O-]	ZINC000036452804	213099245	/nfs/dbraw/zinc/09/92/45/213099245.db2.gz	PACMLQQOFCYLTJ-UHFFFAOYSA-N	0	0	340.295	3.837	40	5		EHBBRN
CC(C)Oc1ccc(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1	ZINC000036561806	213099806	/nfs/dbraw/zinc/09/98/06/213099806.db2.gz	IHWMPNMXBKSMHW-KPKJPENVSA-N	0	0	340.379	3.712	40	5		EHBBRN
Cc1cccc(Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])n1	ZINC000072238820	216077541	/nfs/dbraw/zinc/07/75/41/216077541.db2.gz	VDESPRFWTYOKMD-UHFFFAOYSA-N	0	0	342.233	3.969	40	5		EHBBRN
Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1	ZINC000022906090	212332735	/nfs/dbraw/zinc/33/27/35/212332735.db2.gz	FGJXZQFIHSAPHR-AWEZNQCLSA-N	0	0	328.368	3.926	40	5		EHBBRN
O=Cc1cn(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc12	ZINC000216959961	241228148	/nfs/dbraw/zinc/22/81/48/241228148.db2.gz	BJGRRKRVZIGIKD-UHFFFAOYSA-N	0	0	328.711	3.704	40	5		EHBBRN
Cc1ccc(OC[C@H](C)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1	ZINC000217894706	241281024	/nfs/dbraw/zinc/28/10/24/241281024.db2.gz	YYVJPYBDBQWJAH-BLMSOEDDSA-N	0	0	340.379	3.500	40	5		EHBBRN
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(C)C)cc2)cc1[N+](=O)[O-]	ZINC000224767057	241777502	/nfs/dbraw/zinc/77/75/02/241777502.db2.gz	YJUXJEQFYIOUPP-UHFFFAOYSA-N	0	0	348.424	3.852	40	5		EHBBRN
C[C@@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000007093558	210758405	/nfs/dbraw/zinc/75/84/05/210758405.db2.gz	WRJOXJNXGFTXGH-CYBMUJFWSA-N	0	0	330.409	3.705	40	5		EHBBRN
O=[N+]([O-])c1ccn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	ZINC000071978626	563983912	/nfs/dbraw/zinc/98/39/12/563983912.db2.gz	AITMIIVXZGWXOZ-UHFFFAOYSA-N	0	0	339.195	3.877	40	5		EHBBRN
Cc1ccc(-c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])nn2)cc1C	ZINC000408531553	563993392	/nfs/dbraw/zinc/99/33/92/563993392.db2.gz	UUNIUWCTZWGATL-UHFFFAOYSA-N	0	0	349.346	3.888	40	5		EHBBRN
C[C@@H](CNc1ccc([N+](=O)[O-])cc1)Oc1nonc1-c1ccccc1	ZINC000005354394	564003012	/nfs/dbraw/zinc/00/30/12/564003012.db2.gz	SZOKHSHKGCIPJY-LBPRGKRZSA-N	0	0	340.339	3.524	40	5		EHBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1ccccc1F	ZINC000222702228	564054397	/nfs/dbraw/zinc/05/43/97/564054397.db2.gz	PNYADKXKMOMNOC-UHFFFAOYSA-N	0	0	334.372	3.914	40	5		EHBBRN
CC(=O)Nc1ccccc1SCC(=O)c1cccc([N+](=O)[O-])c1	ZINC000000581953	564078311	/nfs/dbraw/zinc/07/83/11/564078311.db2.gz	HZOJQTCAVFFETO-UHFFFAOYSA-N	0	0	330.365	3.528	40	5		EHBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(Cl)cc1F	ZINC000223750054	564081900	/nfs/dbraw/zinc/08/19/00/564081900.db2.gz	AGBUCBNRBIKSGR-UHFFFAOYSA-N	0	0	338.722	3.577	40	5		EHBBRN
C[C@H]([C@H](CC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1)[N+](=O)[O-]	ZINC000001667283	564082136	/nfs/dbraw/zinc/08/21/36/564082136.db2.gz	JSLKOOHYAWTKNJ-WBMJQRKESA-N	0	0	328.324	3.617	40	5		EHBBRN
Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(C)C)cc1	ZINC000006315846	564084416	/nfs/dbraw/zinc/08/44/16/564084416.db2.gz	UVKUURWTPHZIIA-UHFFFAOYSA-N	0	0	334.397	3.827	40	5		EHBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)Oc1cc(=O)oc2ccccc12	ZINC000001738505	564084431	/nfs/dbraw/zinc/08/44/31/564084431.db2.gz	FBXGSEYERSZGBL-UHFFFAOYSA-N	0	0	340.291	3.621	40	5		EHBBRN
O=[N+]([O-])c1ccc(-c2n(O)c3c([n+]2[O-])-c2cccc4cccc-3c24)cc1	ZINC000006926797	564101465	/nfs/dbraw/zinc/10/14/65/564101465.db2.gz	NKQZDVGHMHXXNI-UHFFFAOYSA-N	0	0	345.314	3.735	40	5		EHBBRN
O=C(NCCCc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000010542333	564134640	/nfs/dbraw/zinc/13/46/40/564134640.db2.gz	GNVPBNMFJLSOMT-UHFFFAOYSA-N	0	0	336.750	3.750	40	5		EHBBRN
CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)COc1ccc([N+](=O)[O-])cc1	ZINC000004032010	210104547	/nfs/dbraw/zinc/10/45/47/210104547.db2.gz	XFHUVRDOFXUZPY-IAOVAPTHSA-N	0	0	335.400	3.978	40	5		EHBBRN
O=[N+]([O-])c1ccccc1-c1n[nH]c(COc2ccc(Cl)cc2)n1	ZINC000034925940	213000324	/nfs/dbraw/zinc/00/03/24/213000324.db2.gz	VYDXEXAFHZQCFO-UHFFFAOYSA-N	0	0	330.731	3.612	40	5		EHBBRN
Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1	ZINC000030758055	212709569	/nfs/dbraw/zinc/70/95/69/212709569.db2.gz	SJVDYPAMHJBTCE-CQSZACIVSA-N	0	0	348.424	3.560	40	5		EHBBRN
C[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCC2	ZINC000223149418	241607314	/nfs/dbraw/zinc/60/73/14/241607314.db2.gz	NCJWNFDTYWOWJV-ZHZWZMEUSA-N	0	0	336.391	3.974	40	5		EHBBRN
Cc1ccc(C(=O)NCCOc2ccccc2C(C)C)cc1[N+](=O)[O-]	ZINC000223745380	241688209	/nfs/dbraw/zinc/68/82/09/241688209.db2.gz	SLVWNJZBUSKLOU-UHFFFAOYSA-N	0	0	342.395	3.835	40	5		EHBBRN
CCOCc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC	ZINC000224408617	241755690	/nfs/dbraw/zinc/75/56/90/241755690.db2.gz	JYASKYKBBDFWAO-UHFFFAOYSA-N	0	0	344.367	3.701	40	5		EHBBRN
CCc1ccccc1N(CC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000224766722	241779031	/nfs/dbraw/zinc/77/90/31/241779031.db2.gz	TZXQSTXLBATVMI-UHFFFAOYSA-N	0	0	348.424	3.681	40	5		EHBBRN
C[C@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)cc1	ZINC000225990302	242083856	/nfs/dbraw/zinc/08/38/56/242083856.db2.gz	JGFLADFLBHOCFU-LBPRGKRZSA-N	0	0	328.343	3.643	40	5		EHBBRN
O=C(Nc1ccc2sncc2c1)C1(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000225989752	242084415	/nfs/dbraw/zinc/08/44/15/242084415.db2.gz	MJPGPBOXAWONDH-UHFFFAOYSA-N	0	0	339.376	3.875	40	5		EHBBRN
COc1ccc2c3nccc4c5cc(F)ccc5n(c43)c(=O)c2c1OC	ZINC000006624541	210664943	/nfs/dbraw/zinc/66/49/43/210664943.db2.gz	JGCLZNAVKPCZMH-UHFFFAOYSA-N	0	0	348.333	3.748	40	5	biogenic	EHBBRN
O=[N+]([O-])[C@H]1CC=CC[C@H]1c1ccc([C@@H]2CC=CC[C@@H]2[N+](=O)[O-])cc1	ZINC000004995116	210354742	/nfs/dbraw/zinc/35/47/42/210354742.db2.gz	SOGIRRBNOPURMC-XSLAGTTESA-N	0	0	328.368	3.844	40	5		EHBBRN
COc1ccccc1OCCNc1nc2ccc([N+](=O)[O-])cc2s1	ZINC000059461248	257850190	/nfs/dbraw/zinc/85/01/90/257850190.db2.gz	MKQJYRDLYOSABL-UHFFFAOYSA-N	0	0	345.380	3.704	40	5		EHBBRN
O=[N+]([O-])[C@@H]1CC=CC[C@@H]1c1ccc([C@@H]2CC=CC[C@@H]2[N+](=O)[O-])cc1	ZINC000018098335	563848698	/nfs/dbraw/zinc/84/86/98/563848698.db2.gz	SOGIRRBNOPURMC-USTZCAOPSA-N	0	0	328.368	3.844	40	5		EHBBRN
Nc1nc(-c2ccc(Cl)cc2)cc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000071977524	563983883	/nfs/dbraw/zinc/98/38/83/563983883.db2.gz	DHYPXQRFVIZJDE-UHFFFAOYSA-N	0	0	326.743	3.954	40	5		EHBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1OC(C)C	ZINC000014663978	563986356	/nfs/dbraw/zinc/98/63/56/563986356.db2.gz	MLUMTTMRPGLUSW-UHFFFAOYSA-N	0	0	330.340	3.643	40	5		EHBBRN
O=C(OCc1cccc([N+](=O)[O-])c1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000003514248	563991298	/nfs/dbraw/zinc/99/12/98/563991298.db2.gz	KRMQVYSNGUYLFR-UHFFFAOYSA-N	0	0	336.687	3.513	40	5		EHBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2)n1-c1ccccc1	ZINC000408573523	563993469	/nfs/dbraw/zinc/99/34/69/563993469.db2.gz	TUGVAVGOSQSOAV-MRXNPFEDSA-N	0	0	340.408	3.686	40	5		EHBBRN
O=[N+]([O-])c1ccc(CSc2nnc(-c3cccc(O)c3)o2)cc1	ZINC000000411252	563998014	/nfs/dbraw/zinc/99/80/14/563998014.db2.gz	HZEFFASXCVKCSQ-UHFFFAOYSA-N	0	0	329.337	3.643	40	5		EHBBRN
O=[N+]([O-])c1ccccc1[S@@](=O)NCc1c(Cl)cccc1Cl	ZINC000005662631	564013084	/nfs/dbraw/zinc/01/30/84/564013084.db2.gz	OUTLYOKVGRNTLO-NRFANRHFSA-N	0	0	345.207	3.714	40	5		EHBBRN
Cc1cc(C)cc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2C)c1	ZINC000000505930	564018943	/nfs/dbraw/zinc/01/89/43/564018943.db2.gz	XGYAZGDVNURNCB-UHFFFAOYSA-N	0	0	343.408	3.647	40	5		EHBBRN
O=[N+]([O-])c1ccc(OCc2nnc(-c3ccc(Cl)cc3)[nH]2)cc1	ZINC000062719643	564019003	/nfs/dbraw/zinc/01/90/03/564019003.db2.gz	CAAQOOOYRPHHEE-UHFFFAOYSA-N	0	0	330.731	3.612	40	5		EHBBRN
O=[N+]([O-])c1ccc(N2CCN(c3nc4ccccc4s3)CC2)cc1	ZINC000025370092	564054186	/nfs/dbraw/zinc/05/41/86/564054186.db2.gz	HLPVJLSJNLGTBK-UHFFFAOYSA-N	0	0	340.408	3.531	40	5		EHBBRN
CC(=O)Nc1ccc(Br)cc1-c1ccc([N+](=O)[O-])cc1	ZINC000001600614	564081738	/nfs/dbraw/zinc/08/17/38/564081738.db2.gz	OIGKORULQKVZLY-UHFFFAOYSA-N	0	0	335.157	3.983	40	5		EHBBRN
C[C@H]1Cc2ccccc2N1C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000007093526	564104842	/nfs/dbraw/zinc/10/48/42/564104842.db2.gz	BNJFWXZKNYEYPK-ZDUSSCGKSA-N	0	0	342.420	3.806	40	5		EHBBRN
CCc1ccccc1N(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000225071482	564125302	/nfs/dbraw/zinc/12/53/02/564125302.db2.gz	YRRKYBSATGVGSD-UHFFFAOYSA-N	0	0	348.424	3.681	40	5		EHBBRN
O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000005656055	564125696	/nfs/dbraw/zinc/12/56/96/564125696.db2.gz	RMEYFQWEXWQKKC-UHFFFAOYSA-N	0	0	336.687	3.513	40	5		EHBBRN
O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(O)c2ccccc2c1O	ZINC000019075670	564136431	/nfs/dbraw/zinc/13/64/31/564136431.db2.gz	QJOUNTCRPFMTQS-UHFFFAOYSA-N	0	0	339.303	3.516	40	5		EHBBRN
Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1	ZINC000030758059	564157654	/nfs/dbraw/zinc/15/76/54/564157654.db2.gz	SJVDYPAMHJBTCE-AWEZNQCLSA-N	0	0	348.424	3.560	40	5		EHBBRN
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCCC2)cc1	ZINC000014910578	568418074	/nfs/dbraw/zinc/41/80/74/568418074.db2.gz	AHEAYOBSZXUMDN-LFYBBSHMSA-N	0	0	337.379	3.847	40	5		EHBBRN
Cc1ccc(OCc2nc(-c3ccc([N+](=O)[O-])c(C)c3)n[nH]2)cc1C	ZINC000040169719	213278127	/nfs/dbraw/zinc/27/81/27/213278127.db2.gz	OWSCHRJIWSFSNT-UHFFFAOYSA-N	0	0	338.367	3.884	40	5		EHBBRN
Cc1ccc(OC[C@H](C)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000217872270	241280839	/nfs/dbraw/zinc/28/08/39/241280839.db2.gz	PWNSEUWCEBIXLB-LBPRGKRZSA-N	0	0	348.786	3.754	40	5		EHBBRN
CCc1ccc(CC)c(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1	ZINC000225831763	242055291	/nfs/dbraw/zinc/05/52/91/242055291.db2.gz	QSUHQRXGCZAZLS-UHFFFAOYSA-N	0	0	326.396	3.958	40	5		EHBBRN
CCc1cc([N+](=O)[O-])cc(Br)c1N1C[C@@H](C)O[C@@H](C)C1	ZINC000226315743	242098225	/nfs/dbraw/zinc/09/82/25/242098225.db2.gz	QFSLCXLYTNFXBT-AOOOYVTPSA-N	0	0	343.221	3.533	40	5		EHBBRN
CCOC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1	ZINC000005953267	210567034	/nfs/dbraw/zinc/56/70/34/210567034.db2.gz	IEOODIUUUCSFLO-UHFFFAOYSA-N	0	0	348.742	3.677	40	5		EHBBRN
COc1cc([N+](=O)[O-])cc(Br)c1N1CCC(C)CC1	ZINC000045886385	135603786	/nfs/dbraw/zinc/60/37/86/135603786.db2.gz	HHKNLCBIFJMVTQ-UHFFFAOYSA-N	0	0	329.194	3.602	40	5		EHBBRN
Cc1ccc(OCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C)c1	ZINC000008389193	563629006	/nfs/dbraw/zinc/62/90/06/563629006.db2.gz	IXFJNGGFWUBHJW-UHFFFAOYSA-N	0	0	348.786	3.674	40	5		EHBBRN
COc1cccc(CCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1	ZINC000013647792	563931252	/nfs/dbraw/zinc/93/12/52/563931252.db2.gz	UKZLBCSJRICKJJ-UHFFFAOYSA-N	0	0	348.786	3.619	40	5		EHBBRN
CC(C)c1ccc(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000014345595	563983952	/nfs/dbraw/zinc/98/39/52/563983952.db2.gz	NZPLCQWCKWOTTC-UHFFFAOYSA-N	0	0	348.424	3.539	40	5		EHBBRN
COc1cc([N+](=O)[O-])ccc1NC(=O)OC/C=C\c1ccccc1	ZINC000005208647	564000497	/nfs/dbraw/zinc/00/04/97/564000497.db2.gz	XNVPZRDJTRNOJN-YVMONPNESA-N	0	0	328.324	3.865	40	5		EHBBRN
O=C1S/C(=C/c2cccs2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000069519116	564128638	/nfs/dbraw/zinc/12/86/38/564128638.db2.gz	XTLMFJSFWMQXIF-MDWZMJQESA-N	0	0	346.389	3.893	40	5		EHBBRN
CCOc1ccc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000010448428	564134613	/nfs/dbraw/zinc/13/46/13/564134613.db2.gz	HUAABDOQPRUPQB-UHFFFAOYSA-N	0	0	334.759	3.577	40	5		EHBBRN
CCn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1ccncc1	ZINC000028079876	564150338	/nfs/dbraw/zinc/15/03/38/564150338.db2.gz	NBWHKLWMYWQABM-UHFFFAOYSA-N	0	0	341.396	3.561	40	5		EHBBRN
CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225019263	568422270	/nfs/dbraw/zinc/42/22/70/568422270.db2.gz	FELGZTFKYHWUFO-UHFFFAOYSA-N	0	0	348.424	3.933	40	5		EHBBRN
CC(=O)Nc1ccccc1/C=C/c1cc(C)c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000003844635	210079462	/nfs/dbraw/zinc/07/94/62/210079462.db2.gz	AAMMFIQKXPEPBE-BQYQJAHWSA-N	0	0	341.323	3.940	40	5		EHBBRN
Cn1c(=S)n(-c2ccccc2)s/c1=N\c1ccc([N+](=O)[O-])cc1	ZINC000003844414	210079508	/nfs/dbraw/zinc/07/95/08/210079508.db2.gz	NQNDRMRQKKOIRA-PEZBUJJGSA-N	0	0	344.421	3.747	40	5		EHBBRN
Cc1ccc(C(=O)Nc2cc(N(C)C)c([N+](=O)[O-])cc2Cl)cc1	ZINC000072229117	216070538	/nfs/dbraw/zinc/07/05/38/216070538.db2.gz	FNOKBPYRZBTJLA-UHFFFAOYSA-N	0	0	333.775	3.875	40	5		EHBBRN
O=[N+]([O-])c1ccc2oc(SCc3cn4ccsc4n3)nc2c1	ZINC000026571595	212525990	/nfs/dbraw/zinc/52/59/90/212525990.db2.gz	MNDXOCKJCBDTJK-UHFFFAOYSA-N	0	0	332.366	3.738	40	5		EHBBRN
CC[C@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(OC)cc1	ZINC000021837192	212255590	/nfs/dbraw/zinc/25/55/90/212255590.db2.gz	KEHHIYBVUTZTPP-INIZCTEOSA-N	0	0	328.368	3.793	40	5		EHBBRN
CCOc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1	ZINC000011169562	211206458	/nfs/dbraw/zinc/20/64/58/211206458.db2.gz	VJSKAIODFRZTKJ-ZDUSSCGKSA-N	0	0	328.368	3.793	40	5		EHBBRN
Cc1ccc(-n2nc3[nH]ccc(-c4cccc([N+](=O)[O-])c4)c-3c2=O)cc1	ZINC000010157152	211150988	/nfs/dbraw/zinc/15/09/88/211150988.db2.gz	UXKQDRXMEWVWKK-UHFFFAOYSA-N	0	0	346.346	3.597	40	5		EHBBRN
O=[N+]([O-])c1ccc(C2N=NC(=S)N2c2ccc(Cl)cc2)cc1	ZINC000004973845	210344778	/nfs/dbraw/zinc/34/47/78/210344778.db2.gz	VXKKWGSDFHHSDZ-UHFFFAOYSA-N	0	0	332.772	3.785	40	5		EHBBRN
O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(F)cc2)on1	ZINC000123018873	222200418	/nfs/dbraw/zinc/20/04/18/222200418.db2.gz	QBPKCBYADNEDLV-UHFFFAOYSA-N	0	0	327.271	3.641	40	5		EHBBRN
Cc1c2ccccc2c(CSC[C@@H]([NH3+])C(=O)[O-])c2ccccc12	ZINC000001635798	563398136	/nfs/dbraw/zinc/39/81/36/563398136.db2.gz	GCQPHJUQWNTOPD-GOSISDBHSA-N	0	0	325.433	3.947	40	5		EHBBRN
Cc1ccc(-c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])nn2)cc1	ZINC000408532436	563422572	/nfs/dbraw/zinc/42/25/72/563422572.db2.gz	YELYMEUAMJIZOU-UHFFFAOYSA-N	0	0	335.319	3.579	40	5		EHBBRN
Cc1c2ccccc2c(CSC[C@H]([NH3+])C(=O)[O-])c2ccccc12	ZINC000006484031	563569172	/nfs/dbraw/zinc/56/91/72/563569172.db2.gz	GCQPHJUQWNTOPD-SFHVURJKSA-N	0	0	325.433	3.947	40	5		EHBBRN
CCOC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C	ZINC000013667923	563931681	/nfs/dbraw/zinc/93/16/81/563931681.db2.gz	NAHJBQCGKYEXDQ-UHFFFAOYSA-N	0	0	342.351	3.641	40	5		EHBBRN
CC[C@@H](Oc1ccccc1C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000013994647	563982360	/nfs/dbraw/zinc/98/23/60/563982360.db2.gz	VROBZLONXLIOQI-OAHLLOKOSA-N	0	0	344.367	3.708	40	5		EHBBRN
Cc1cccc(OCC(=O)Nc2c(C)cc([N+](=O)[O-])cc2C)c1C	ZINC000072228808	563985902	/nfs/dbraw/zinc/98/59/02/563985902.db2.gz	XVKBRBGSUHLZPD-UHFFFAOYSA-N	0	0	328.368	3.846	40	5		EHBBRN
COc1ccccc1/C=C/C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000000149682	563987324	/nfs/dbraw/zinc/98/73/24/563987324.db2.gz	AANXZQZBOSCGTJ-RMKNXTFCSA-N	0	0	332.743	3.909	40	5		EHBBRN
CC(=O)c1cc([N+](=O)[O-])ccc1Sc1n[nH]c(-c2ccccc2)n1	ZINC000408583970	563993487	/nfs/dbraw/zinc/99/34/87/563993487.db2.gz	YZONVOUDYJGYHP-UHFFFAOYSA-N	0	0	340.364	3.734	40	5		EHBBRN
COc1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1[N+](=O)[O-]	ZINC000014258214	564021868	/nfs/dbraw/zinc/02/18/68/564021868.db2.gz	FKAQEIZJOCDNDD-UHFFFAOYSA-N	0	0	330.340	3.643	40	5		EHBBRN
COc1ccc2oc(C(=O)Nc3ccc([N+](=O)[O-])cc3C)cc2c1	ZINC000041306555	564024677	/nfs/dbraw/zinc/02/46/77/564024677.db2.gz	KUUONWBGZYGLTE-UHFFFAOYSA-N	0	0	326.308	3.910	40	5		EHBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)CCSc1ccccc1	ZINC000015271489	564060165	/nfs/dbraw/zinc/06/01/65/564060165.db2.gz	YEKMYXWBNJHRDX-UHFFFAOYSA-N	0	0	332.381	3.724	40	5		EHBBRN
Cc1cc(C)c([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C	ZINC000223430386	564074261	/nfs/dbraw/zinc/07/42/61/564074261.db2.gz	VXCVSOPXMHOJMC-CQSZACIVSA-N	0	0	348.424	3.560	40	5		EHBBRN
O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1cccc2ccccc21	ZINC000160328395	564074705	/nfs/dbraw/zinc/07/47/05/564074705.db2.gz	VDLDMAORXCQWQV-UHFFFAOYSA-N	0	0	339.376	3.874	40	5		EHBBRN
CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COC	ZINC000224689938	564117653	/nfs/dbraw/zinc/11/76/53/564117653.db2.gz	QONKUBQKTJLMGF-UHFFFAOYSA-N	0	0	344.367	3.701	40	5		EHBBRN
CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000224998120	564124822	/nfs/dbraw/zinc/12/48/22/564124822.db2.gz	QEHASHKXVPWWGG-UHFFFAOYSA-N	0	0	348.424	3.933	40	5		EHBBRN
Cc1c(C(=O)NCc2ccc(OC(C)C)cc2)cccc1[N+](=O)[O-]	ZINC000113931881	564134406	/nfs/dbraw/zinc/13/44/06/564134406.db2.gz	PCOPDOLABJFTBV-UHFFFAOYSA-N	0	0	328.368	3.620	40	5		EHBBRN
Cc1ccccc1OC[C@@H](C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1	ZINC000065875188	564134438	/nfs/dbraw/zinc/13/44/38/564134438.db2.gz	FCZAWBCWWLUVEL-AUECHBEKSA-N	0	0	340.379	3.500	40	5		EHBBRN
Cc1nc2ccccc2nc1SC(=O)c1cccc([N+](=O)[O-])c1	ZINC000003078708	564155042	/nfs/dbraw/zinc/15/50/42/564155042.db2.gz	JBHKERFPAOHLBZ-UHFFFAOYSA-N	0	0	325.349	3.779	40	5		EHBBRN
CC(C)(C)OC(=O)N1CCC(CNc2ccccc2[N+](=O)[O-])CC1	ZINC000067800600	215215002	/nfs/dbraw/zinc/21/50/02/215215002.db2.gz	BGFDSDCKGQMHOP-UHFFFAOYSA-N	0	0	335.404	3.654	40	5		EHBBRN
Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1	ZINC000022906088	212333096	/nfs/dbraw/zinc/33/30/96/212333096.db2.gz	FGJXZQFIHSAPHR-CQSZACIVSA-N	0	0	328.368	3.926	40	5		EHBBRN
CCOC(=O)/C=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1	ZINC000216896429	241221120	/nfs/dbraw/zinc/22/11/20/241221120.db2.gz	FGXAQUDJWWVNTM-DHZHZOJOSA-N	0	0	327.336	3.750	40	5		EHBBRN
O=C(Cc1ccccc1[N+](=O)[O-])NCCCc1ccc(Cl)cc1	ZINC000218158552	241301225	/nfs/dbraw/zinc/30/12/25/241301225.db2.gz	AKCPCNSNEOOBKZ-UHFFFAOYSA-N	0	0	332.787	3.540	40	5		EHBBRN
C[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCC2	ZINC000223149354	241607223	/nfs/dbraw/zinc/60/72/23/241607223.db2.gz	NCJWNFDTYWOWJV-BMGYJQCNSA-N	0	0	336.391	3.974	40	5		EHBBRN
O=[N+]([O-])c1cc(S(=O)(=O)Oc2ccc3ccccc3c2)ccc1F	ZINC000226862781	242118303	/nfs/dbraw/zinc/11/83/03/242118303.db2.gz	JNAGRCQEMXYNPT-UHFFFAOYSA-N	0	0	347.323	3.655	40	5		EHBBRN
O=C1Nc2ccc([N+](=O)[O-])cc2NC(=O)c2cccc3cccc1c32	ZINC000004902975	210318039	/nfs/dbraw/zinc/31/80/39/210318039.db2.gz	HDRSBXGBTKDHOE-UHFFFAOYSA-N	0	0	333.303	3.566	40	5		EHBBRN
CC(C)C(=O)Nc1cc(N2CCCCC2)c([N+](=O)[O-])cc1Cl	ZINC000045891856	564028782	/nfs/dbraw/zinc/02/87/82/564028782.db2.gz	BRMUHNHRVBDMHY-UHFFFAOYSA-N	0	0	325.796	3.833	40	5		EHBBRN
O=c1c2ccccc2n(Cc2nnc(C(F)(F)F)o2)c2ccccc12	ZINC000005391056	563530798	/nfs/dbraw/zinc/53/07/98/563530798.db2.gz	HLJUATXVXPJGAC-UHFFFAOYSA-N	0	0	345.280	3.605	40	5		EHBBRN
O=C(c1cccc2ccccc21)N1CCN=Cc2cc([N+](=O)[O-])ccc21	ZINC000073642327	563931353	/nfs/dbraw/zinc/93/13/53/563931353.db2.gz	RJSNUXZUSAWXSY-UHFFFAOYSA-N	0	0	345.358	3.827	40	5		EHBBRN
CCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000013668699	563931700	/nfs/dbraw/zinc/93/17/00/563931700.db2.gz	ZPUPULXKOOPJQP-UHFFFAOYSA-N	0	0	334.759	3.577	40	5		EHBBRN
COc1cc([N+](=O)[O-])ccc1NC(=S)NCCCc1ccccc1	ZINC000013817395	563935184	/nfs/dbraw/zinc/93/51/84/563935184.db2.gz	AZJMLORZUVRSJG-UHFFFAOYSA-N	0	0	345.424	3.523	40	5		EHBBRN
CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc(OC)c(OC)c1	ZINC000072228731	563985897	/nfs/dbraw/zinc/98/58/97/563985897.db2.gz	UBJHDXHDPMTALG-UHFFFAOYSA-N	0	0	344.367	3.735	40	5		EHBBRN
O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccccc1C(F)F	ZINC000408541708	563993397	/nfs/dbraw/zinc/99/33/97/563993397.db2.gz	CVVGNKRMYQUOEW-UHFFFAOYSA-N	0	0	339.323	3.658	40	5		EHBBRN
CC(=O)c1cccc(NC(=O)CSCc2cccc([N+](=O)[O-])c2)c1	ZINC000408723775	563993701	/nfs/dbraw/zinc/99/37/01/563993701.db2.gz	LGSAJTQYABEUHD-UHFFFAOYSA-N	0	0	344.392	3.669	40	5		EHBBRN
Cc1cc(-c2ccc(C=C3SC(=O)NC3=O)o2)cc([N+](=O)[O-])c1C	ZINC000106692850	564026584	/nfs/dbraw/zinc/02/65/84/564026584.db2.gz	QNQSLBBYVYHSCO-AUWJEWJLSA-N	0	0	344.348	3.796	40	5		EHBBRN
Cc1c(C(=O)NCCSCc2ccccc2F)cccc1[N+](=O)[O-]	ZINC000010280113	564127705	/nfs/dbraw/zinc/12/77/05/564127705.db2.gz	XIDCKSMJTUGXLH-UHFFFAOYSA-N	0	0	348.399	3.706	40	5		EHBBRN
O=C(Sc1nnc(Cc2ccccc2)o1)c1ccc([N+](=O)[O-])cc1	ZINC000107557997	564128703	/nfs/dbraw/zinc/12/87/03/564128703.db2.gz	QOPBVNIUBQEXDJ-UHFFFAOYSA-N	0	0	341.348	3.501	40	5		EHBBRN
CC(C)[C@@H]1CC[C@H](C)[C@H](COC(=O)c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000103210872	564129495	/nfs/dbraw/zinc/12/94/95/564129495.db2.gz	LTRDGCCRAMQMOX-RCBQFDQVSA-N	0	0	333.384	3.639	40	5		EHBBRN
Cc1ccc(C)c([C@@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1	ZINC000010543937	564134664	/nfs/dbraw/zinc/13/46/64/564134664.db2.gz	WYYBPBPVTZCGAS-CQSZACIVSA-N	0	0	348.424	3.560	40	5		EHBBRN
Cc1ccccc1C1=N/C(=C\C=C\c2ccccc2[N+](=O)[O-])C(=O)O1	ZINC000004696725	210251030	/nfs/dbraw/zinc/25/10/30/210251030.db2.gz	XRKINSLLMVKLEQ-SAEKGINCSA-N	0	0	334.331	3.804	40	5		EHBBRN
COc1ccc([C@H]2Oc3nc4cc([N+](=O)[O-])ccc4nc3C2O)cc1	ZINC000103914705	219328301	/nfs/dbraw/zinc/32/83/01/219328301.db2.gz	VIEFGVUXGBARIW-MRXNPFEDSA-N	0	0	339.307	3.600	40	5		EHBBRN
O=[N+]([O-])c1c(Br)ccnc1NCc1ccc(F)cc1	ZINC000039956676	213246218	/nfs/dbraw/zinc/24/62/18/213246218.db2.gz	PMAVNCRDNXIFQF-UHFFFAOYSA-N	0	0	326.125	3.504	40	5		EHBBRN
COc1ccc(C(=O)Nc2cc(N(C)C)c([N+](=O)[O-])cc2Cl)cc1	ZINC000072229573	216070530	/nfs/dbraw/zinc/07/05/30/216070530.db2.gz	MXXRZONTGHMQQD-UHFFFAOYSA-N	0	0	349.774	3.575	40	5		EHBBRN
COc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1OC	ZINC000225046477	241790026	/nfs/dbraw/zinc/79/00/26/241790026.db2.gz	XTFGUTHMLXNNHW-UHFFFAOYSA-N	0	0	336.731	3.518	40	5		EHBBRN
COc1ccc([C@@H](O)c2ccc3c4c(cccc42)CC3)cc1[N+](=O)[O-]	ZINC000226295706	242095071	/nfs/dbraw/zinc/09/50/71/242095071.db2.gz	ZJVINXMGTPTQBE-HXUWFJFHSA-N	0	0	335.359	3.937	40	5		EHBBRN
Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-]	ZINC000015977046	211873980	/nfs/dbraw/zinc/87/39/80/211873980.db2.gz	STZKYSKKXONMAT-UHFFFAOYSA-N	0	0	338.285	3.852	40	5		EHBBRN
CC[C@H](NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)cc1	ZINC000007308862	210782879	/nfs/dbraw/zinc/78/28/79/210782879.db2.gz	QACKCQOTULYLCX-INIZCTEOSA-N	0	0	348.424	3.641	40	5		EHBBRN
CC(=O)N1c2ccc([N+](=O)[O-])cc2Sc2cc([N+](=O)[O-])ccc21	ZINC000004958255	135668117	/nfs/dbraw/zinc/66/81/17/135668117.db2.gz	VUWDHXCPXJCIJQ-UHFFFAOYSA-N	0	0	331.309	3.652	40	5		EHBBRN
CCC(=O)Nc1cc(N2CCC(C)CC2)c([N+](=O)[O-])cc1Cl	ZINC000045891888	564028779	/nfs/dbraw/zinc/02/87/79/564028779.db2.gz	GYKWMYPJJYGVJU-UHFFFAOYSA-N	0	0	325.796	3.833	40	5		EHBBRN
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C1C2CC3CC(C2)CC1C3	ZINC000028462893	563929819	/nfs/dbraw/zinc/92/98/19/563929819.db2.gz	ZBAWCPPFXGKUNM-TWGAKMIASA-N	0	0	328.412	3.785	40	5		EHBBRN
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C1C2CC3CC(C2)CC1C3	ZINC000028462897	563929837	/nfs/dbraw/zinc/92/98/37/563929837.db2.gz	ZBAWCPPFXGKUNM-CJQSEUFMSA-N	0	0	328.412	3.785	40	5		EHBBRN
O=C1OC(c2cccc(F)c2)=N/C1=C\C=C\c1cccc([N+](=O)[O-])c1	ZINC000015307168	563966973	/nfs/dbraw/zinc/96/69/73/563966973.db2.gz	RPSQEOQVCRXBQJ-QQDISNATSA-N	0	0	338.294	3.635	40	5		EHBBRN
CC(=O)Nc1ccccc1Sc1ccc([N+](=O)[O-])cc1C(C)=O	ZINC000408580973	563993491	/nfs/dbraw/zinc/99/34/91/563993491.db2.gz	FKQRNWJMMIFRNK-UHFFFAOYSA-N	0	0	330.365	3.907	40	5		EHBBRN
CCCOc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1OC	ZINC000408618151	563993519	/nfs/dbraw/zinc/99/35/19/563993519.db2.gz	DRBMICBKCOUVPZ-UHFFFAOYSA-N	0	0	344.367	3.953	40	5		EHBBRN
CCn1c2ccccc2nc1SC(=O)c1cccc([N+](=O)[O-])c1	ZINC000408692048	563993651	/nfs/dbraw/zinc/99/36/51/563993651.db2.gz	CFFGRLKPCZJQDA-UHFFFAOYSA-N	0	0	327.365	3.897	40	5		EHBBRN
O=[N+]([O-])c1ccc(COc2c(Cl)cc(CO)cc2Cl)cc1	ZINC000409118734	563994195	/nfs/dbraw/zinc/99/41/95/563994195.db2.gz	NVPOMUWHCNPYED-UHFFFAOYSA-N	0	0	328.151	3.973	40	5		EHBBRN
CCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCC	ZINC000005466580	564004421	/nfs/dbraw/zinc/00/44/21/564004421.db2.gz	XGRLBARGYPCYCM-UHFFFAOYSA-N	0	0	330.340	3.645	40	5		EHBBRN
O=C1c2ccc3c4c(ccc(c42)C(=O)N1c1ccccc1[N+](=O)[O-])CC3	ZINC000005514940	564004905	/nfs/dbraw/zinc/00/49/05/564004905.db2.gz	XRDKKJMBGSSJTO-UHFFFAOYSA-N	0	0	344.326	3.647	40	5		EHBBRN
Cc1ccc(C2=N/C(=C\C=C\c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1	ZINC000005543822	564005175	/nfs/dbraw/zinc/00/51/75/564005175.db2.gz	DFOJZLRWPNXQQB-FKJKDRHESA-N	0	0	334.331	3.804	40	5		EHBBRN
Cc1ccc(C(=O)Nc2ccccc2Br)cc1[N+](=O)[O-]	ZINC000005547447	564005185	/nfs/dbraw/zinc/00/51/85/564005185.db2.gz	UCHWSANWJIDZHE-UHFFFAOYSA-N	0	0	335.157	3.918	40	5		EHBBRN
O=[N+]([O-])c1cccc(-c2n[nH]c(CCNc3cccc(Cl)c3)n2)c1	ZINC000062719097	564018996	/nfs/dbraw/zinc/01/89/96/564018996.db2.gz	RMOJUWMQSFOTCV-UHFFFAOYSA-N	0	0	343.774	3.688	40	5		EHBBRN
CC(C)c1ccc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000150761712	564031898	/nfs/dbraw/zinc/03/18/98/564031898.db2.gz	UUWVTSVDEMBNHT-UHFFFAOYSA-N	0	0	334.397	3.543	40	5		EHBBRN
COc1ccc(Br)cc1/C=C/c1onc(C)c1[N+](=O)[O-]	ZINC000006184378	564079112	/nfs/dbraw/zinc/07/91/12/564079112.db2.gz	IKEMNQHARJLXHM-HWKANZROSA-N	0	0	339.145	3.833	40	5		EHBBRN
CC(C)(C)c1ccccc1OCCNC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000223664513	564081734	/nfs/dbraw/zinc/08/17/34/564081734.db2.gz	AGZFSCBIMVXNDF-UHFFFAOYSA-N	0	0	342.395	3.701	40	5		EHBBRN
CN(CCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1	ZINC000007689955	564121842	/nfs/dbraw/zinc/12/18/42/564121842.db2.gz	YWMWRGPATKRQTM-UHFFFAOYSA-N	0	0	347.802	3.505	40	5		EHBBRN
Cc1cc(C(=O)NCCSCc2ccccc2)ccc1[N+](=O)[O-]	ZINC000018150071	564127953	/nfs/dbraw/zinc/12/79/53/564127953.db2.gz	VPBVIADLSFRFPV-UHFFFAOYSA-N	0	0	330.409	3.566	40	5		EHBBRN
Cc1cc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)ccc1[N+](=O)[O-]	ZINC000010542979	564134641	/nfs/dbraw/zinc/13/46/41/564134641.db2.gz	NUXWMLLUZKNJCN-OAHLLOKOSA-N	0	0	340.379	3.935	40	5		EHBBRN
O=[N+]([O-])c1ccc2c(c1)nc(-c1ccccn1)n2CCc1ccncc1	ZINC000013211782	564136097	/nfs/dbraw/zinc/13/60/97/564136097.db2.gz	DPWNICJBRRYQIR-UHFFFAOYSA-N	0	0	345.362	3.644	40	5	in-vivo	EHBBRN
Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc([N+](=O)[O-])o1	ZINC000020139744	564138387	/nfs/dbraw/zinc/13/83/87/564138387.db2.gz	NVGXPNXJQKXURF-UHFFFAOYSA-N	0	0	342.307	3.501	40	5		EHBBRN
CC(C)c1ccc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000046545568	213802990	/nfs/dbraw/zinc/80/29/90/213802990.db2.gz	MSRMIVVFYXDUBV-UHFFFAOYSA-N	0	0	348.424	3.539	40	5		EHBBRN
O=[N+]([O-])c1ccc(CNc2ncc(C(F)(F)F)cc2[N+](=O)[O-])cc1	ZINC000039956757	213245970	/nfs/dbraw/zinc/24/59/70/213245970.db2.gz	IXRSVYJJADAHTP-UHFFFAOYSA-N	0	0	342.233	3.529	40	5		EHBBRN
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000217866121	241282211	/nfs/dbraw/zinc/28/22/11/241282211.db2.gz	IATYWARROBGNEU-INIZCTEOSA-N	0	0	340.379	3.935	40	5		EHBBRN
Cc1ccc(OC[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000218119782	241300139	/nfs/dbraw/zinc/30/01/39/241300139.db2.gz	CDUQHKZYETVFAJ-GFCCVEGCSA-N	0	0	348.786	3.754	40	5		EHBBRN
C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccccc2[N+](=O)[O-])S1	ZINC000222560940	241527323	/nfs/dbraw/zinc/52/73/23/241527323.db2.gz	DRGKMQAIXPBART-UVBJJODRSA-N	0	0	340.408	3.579	40	5		EHBBRN
Cc1cc(C)c(N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1	ZINC000224783203	241778677	/nfs/dbraw/zinc/77/86/77/241778677.db2.gz	ZDJXCCOZKMGTFA-UHFFFAOYSA-N	0	0	348.424	3.654	40	5		EHBBRN
O=[N+]([O-])c1cc(S(=O)(=O)Oc2cccc3ccccc32)ccc1F	ZINC000226862774	242117710	/nfs/dbraw/zinc/11/77/10/242117710.db2.gz	BLSNPRAYIGCTBF-UHFFFAOYSA-N	0	0	347.323	3.655	40	5		EHBBRN
COc1ccc(CCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000013632823	211594310	/nfs/dbraw/zinc/59/43/10/211594310.db2.gz	DMZMTFGNTHCXMO-UHFFFAOYSA-N	0	0	348.786	3.619	40	5		EHBBRN
CC(C)(C)c1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000007269864	210777682	/nfs/dbraw/zinc/77/76/82/210777682.db2.gz	ZILXDAJJPSQVRZ-UHFFFAOYSA-N	0	0	342.395	3.701	40	5		EHBBRN
O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Cl)cc1	ZINC000039768492	257854492	/nfs/dbraw/zinc/85/44/92/257854492.db2.gz	CPGJWURDEGRSPU-UHFFFAOYSA-N	0	0	344.714	3.551	40	5		EHBBRN
Cc1cc([N+](=O)[O-])cc2nc(-c3cncc(Br)c3)oc21	ZINC000073639248	563931241	/nfs/dbraw/zinc/93/12/41/563931241.db2.gz	AYBZJZZGDRKMJJ-UHFFFAOYSA-N	0	0	334.129	3.869	40	5		EHBBRN
CO[C@H]1c2ccccc2C=CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000005549968	564005177	/nfs/dbraw/zinc/00/51/77/564005177.db2.gz	QWPSVDDDASPSGK-INIZCTEOSA-N	0	0	327.296	3.639	40	5		EHBBRN
COc1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1[N+](=O)[O-]	ZINC000014258209	564021848	/nfs/dbraw/zinc/02/18/48/564021848.db2.gz	ZUKWSCYGGMFJGN-UHFFFAOYSA-N	0	0	344.367	3.744	40	5		EHBBRN
CCOC(=O)c1ccccc1S[C@@H](C[N+](=O)[O-])c1ccccc1	ZINC000005836990	564056587	/nfs/dbraw/zinc/05/65/87/564056587.db2.gz	ZBRQQRZXDOZYEO-INIZCTEOSA-N	0	0	331.393	3.973	40	5		EHBBRN
COc1ccc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc1OC	ZINC000035929974	564092184	/nfs/dbraw/zinc/09/21/84/564092184.db2.gz	XKFRLOQNUVIGCC-OAHLLOKOSA-N	0	0	326.352	3.594	40	5		EHBBRN
Cc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1[N+](=O)[O-]	ZINC000030866515	564157992	/nfs/dbraw/zinc/15/79/92/564157992.db2.gz	ZJQANOZWQFFZPB-UHFFFAOYSA-N	0	0	328.368	3.620	40	5		EHBBRN
Cc1ccc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1[N+](=O)[O-]	ZINC000005754055	568417598	/nfs/dbraw/zinc/41/75/98/568417598.db2.gz	LKRSFVAKHMJICN-UHFFFAOYSA-N	0	0	342.351	3.721	40	5		EHBBRN
CCc1ccc(O[C@H](CC)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	ZINC000222880665	241571934	/nfs/dbraw/zinc/57/19/34/241571934.db2.gz	UCWYRBJXTHJRHQ-QGZVFWFLSA-N	0	0	328.368	3.953	40	5		EHBBRN
C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCCC2	ZINC000015092305	211802842	/nfs/dbraw/zinc/80/28/42/211802842.db2.gz	BSZINVSKVKRHIK-CQSZACIVSA-N	0	0	338.407	3.894	40	5		EHBBRN
COC(=O)c1cccc(Cn2cc(/C=C/[N+](=O)[O-])c3ccccc32)c1	ZINC000009265634	211060378	/nfs/dbraw/zinc/06/03/78/211060378.db2.gz	ABMSUWFCGYENBK-MDZDMXLPSA-N	0	0	336.347	3.724	40	5		EHBBRN
Cc1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=N)c1C	ZINC000004949739	210337250	/nfs/dbraw/zinc/33/72/50/210337250.db2.gz	HLVVNQLTALOBCE-UHFFFAOYSA-N	0	0	337.335	3.690	40	5		EHBBRN
CC(C)[C@H]1CC[C@H](C)[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000003845746	257911436	/nfs/dbraw/zinc/91/14/36/257911436.db2.gz	LTRDGCCRAMQMOX-APHBMKBZSA-N	0	0	333.384	3.639	40	5		EHBBRN
CCn1c2ccccc2nc1SC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000408692837	563571052	/nfs/dbraw/zinc/57/10/52/563571052.db2.gz	WNEMOQQRNHFGPZ-UHFFFAOYSA-N	0	0	327.365	3.897	40	5		EHBBRN
O=C(/C=C\c1ccccc1)Nc1nc2ccc([N+](=O)[O-])cc2s1	ZINC000033315911	563915747	/nfs/dbraw/zinc/91/57/47/563915747.db2.gz	JJNAOWYXQWCSGU-TWGQIWQCSA-N	0	0	325.349	3.856	40	5		EHBBRN
CCOC(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1C	ZINC000013613522	563930652	/nfs/dbraw/zinc/93/06/52/563930652.db2.gz	RXELNDBQGDALFW-UHFFFAOYSA-N	0	0	342.351	3.641	40	5		EHBBRN
Cc1cc(C(=O)NCCCc2ccccc2Cl)ccc1[N+](=O)[O-]	ZINC000013674003	563931713	/nfs/dbraw/zinc/93/17/13/563931713.db2.gz	OEJZDIJSFMNPOR-UHFFFAOYSA-N	0	0	332.787	3.919	40	5		EHBBRN
CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)COc1ccccc1C	ZINC000072228775	563985882	/nfs/dbraw/zinc/98/58/82/563985882.db2.gz	KRDVLLZRFWSVIE-UHFFFAOYSA-N	0	0	328.368	3.792	40	5		EHBBRN
CCOc1ccc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc1OC	ZINC000408573633	563993455	/nfs/dbraw/zinc/99/34/55/563993455.db2.gz	TZEKKOUCVVTWCL-INIZCTEOSA-N	0	0	340.379	3.984	40	5		EHBBRN
C[C@]12C[C@H](NC(=O)N1c1ccccc1F)c1cc([N+](=O)[O-])ccc1O2	ZINC000000427479	563998182	/nfs/dbraw/zinc/99/81/82/563998182.db2.gz	UKDPNVZZOYLZAC-GUYCJALGSA-N	0	0	343.314	3.504	40	5		EHBBRN
Cc1ccc(CN(C)C(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1	ZINC000044850473	564027434	/nfs/dbraw/zinc/02/74/34/564027434.db2.gz	UKQDKDWCBJBJJU-UHFFFAOYSA-N	0	0	344.436	3.795	40	5		EHBBRN
CCN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cccs1	ZINC000225143717	564045164	/nfs/dbraw/zinc/04/51/64/564045164.db2.gz	CXRPAJGYQUGXPV-UHFFFAOYSA-N	0	0	346.817	3.525	40	5		EHBBRN
Cc1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cccc1[N+](=O)[O-]	ZINC000005921603	564056998	/nfs/dbraw/zinc/05/69/98/564056998.db2.gz	ONMKKMVXXHLYKH-UHFFFAOYSA-N	0	0	335.703	3.717	40	5		EHBBRN
Cc1ccc(OCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1C	ZINC000223375005	564073314	/nfs/dbraw/zinc/07/33/14/564073314.db2.gz	SFDYQOPTDNEHIJ-UHFFFAOYSA-N	0	0	348.786	3.674	40	5		EHBBRN
O=C(NCCc1ccc(Cl)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000006284115	564083527	/nfs/dbraw/zinc/08/35/27/564083527.db2.gz	ZGVXLIVLKUJBEP-UHFFFAOYSA-N	0	0	339.178	3.874	40	5		EHBBRN
COc1cccc(CCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1	ZINC000010542417	564134650	/nfs/dbraw/zinc/13/46/50/564134650.db2.gz	WFJHIOSNVJFZMA-UHFFFAOYSA-N	0	0	348.786	3.619	40	5		EHBBRN
CC(C)Oc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000030850884	564157977	/nfs/dbraw/zinc/15/79/77/564157977.db2.gz	KPDDBVWYIWVLNQ-UHFFFAOYSA-N	0	0	348.786	3.965	40	5		EHBBRN
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2nsnc2c1	ZINC000059294451	564161109	/nfs/dbraw/zinc/16/11/09/564161109.db2.gz	JTQCMBMIKUCEQV-UHFFFAOYSA-N	0	0	334.744	3.505	40	5		EHBBRN
Cc1c(C(=O)NCCSCc2cccs2)cccc1[N+](=O)[O-]	ZINC000018109204	568422722	/nfs/dbraw/zinc/42/27/22/568422722.db2.gz	JKEZATPEEHWKTH-UHFFFAOYSA-N	0	0	336.438	3.628	40	5		EHBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1	ZINC000014006959	1037736083	/nfs/dbraw/zinc/73/60/83/1037736083.db2.gz	HKMBLVRIFZWCPD-NSHDSACASA-N	0	0	334.759	3.963	40	5		EHBBRN
Cc1ccccc1OC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000055693274	214338367	/nfs/dbraw/zinc/33/83/67/214338367.db2.gz	FTTAFSVHSPCORL-LBPRGKRZSA-N	0	0	348.786	3.754	40	5		EHBBRN
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)COc1ccc([N+](=O)[O-])cc1	ZINC000004032012	210105015	/nfs/dbraw/zinc/10/50/15/210105015.db2.gz	XFHUVRDOFXUZPY-RRQGHBQHSA-N	0	0	335.400	3.978	40	5		EHBBRN
CC(C)(C)OC(=O)N1CCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1	ZINC000067800462	215214484	/nfs/dbraw/zinc/21/44/84/215214484.db2.gz	OMTVJSCXMRMNFU-UHFFFAOYSA-N	0	0	339.367	3.545	40	5		EHBBRN
C[C@@H](CCc1nc2ccccc2[nH]1)OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000000244924	209502751	/nfs/dbraw/zinc/50/27/51/209502751.db2.gz	YINXEWLKCQIUAJ-LBPRGKRZSA-N	0	0	339.351	3.649	40	5		EHBBRN
CC(C)c1ccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1	ZINC000022521372	212304361	/nfs/dbraw/zinc/30/43/61/212304361.db2.gz	FIWAFBSBOBJLAG-UHFFFAOYSA-N	0	0	334.397	3.660	40	5		EHBBRN
COc1ccc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1	ZINC000021116763	212208282	/nfs/dbraw/zinc/20/82/82/212208282.db2.gz	UULXSXJOYKJQKJ-UHFFFAOYSA-N	0	0	332.381	3.643	40	5		EHBBRN
CCOc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000020490404	212138656	/nfs/dbraw/zinc/13/86/56/212138656.db2.gz	TVVJAPMDWQJBAH-UHFFFAOYSA-N	0	0	334.759	3.577	40	5		EHBBRN
Cc1c(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)cccc1[N+](=O)[O-]	ZINC000011715848	211240626	/nfs/dbraw/zinc/24/06/26/211240626.db2.gz	DQZSYHPVULMQSS-UHFFFAOYSA-N	0	0	341.367	3.750	40	5		EHBBRN
CC(=O)COc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13	ZINC000006624417	210664033	/nfs/dbraw/zinc/66/40/33/210664033.db2.gz	ZYFJGNPIHZOJFO-UHFFFAOYSA-N	0	0	342.354	3.560	40	5	biogenic	EHBBRN
CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC)c(C)c1	ZINC000225824827	535880276	/nfs/dbraw/zinc/88/02/76/535880276.db2.gz	JCNCGNNMHPEWPC-INIZCTEOSA-N	0	0	328.368	3.793	40	5		EHBBRN
CCOC(=O)c1ccc2c(c1)nc1c3cccc4cccc(c(=O)n21)c43	ZINC000001610565	563396417	/nfs/dbraw/zinc/39/64/17/563396417.db2.gz	KWWIZDUQFXMGOJ-UHFFFAOYSA-N	0	0	342.354	3.769	40	5		EHBBRN
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCCCC2)cc1	ZINC000014908148	563767241	/nfs/dbraw/zinc/76/72/41/563767241.db2.gz	LSHWGDQPYFJMLQ-UHFFFAOYSA-N	0	0	339.395	3.766	40	5		EHBBRN
CC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1ccc(C)cc1	ZINC000016090706	563803245	/nfs/dbraw/zinc/80/32/45/563803245.db2.gz	YELQOJXPHVFRKN-INIZCTEOSA-N	0	0	348.424	3.641	40	5		EHBBRN
CCN(CC)C(=O)Cc1ccc2[nH]c3nc4ccccc4nc3c2c1	ZINC000032109920	563913558	/nfs/dbraw/zinc/91/35/58/563913558.db2.gz	PTDNCDRDLYSZHL-UHFFFAOYSA-N	0	0	332.407	3.675	40	5		EHBBRN
CC(=O)Oc1ccc2nc3c(ccc4nc5ccccc5nc43)nc2c1	ZINC000076495179	563968040	/nfs/dbraw/zinc/96/80/40/563968040.db2.gz	SFKUTDXSBUVUTR-UHFFFAOYSA-N	0	0	340.342	3.805	40	5		EHBBRN
C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000014401974	563984103	/nfs/dbraw/zinc/98/41/03/563984103.db2.gz	GLNXPPSJNPXGTO-VIFPVBQESA-N	0	0	338.722	3.793	40	5		EHBBRN
O=[N+]([O-])c1cccc(NC[C@H](O)COc2cccc3ccccc32)c1	ZINC000000282936	563990173	/nfs/dbraw/zinc/99/01/73/563990173.db2.gz	ASKIAZSZPBYNRV-KRWDZBQOSA-N	0	0	338.363	3.600	40	5		EHBBRN
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc(Cl)c(Cl)c1	ZINC000000362479	563991640	/nfs/dbraw/zinc/99/16/40/563991640.db2.gz	QQVLFGAXKABTQS-UHFFFAOYSA-N	0	0	337.118	3.702	40	5		EHBBRN
O=C(c1ccc2[nH]c3nc4ccccc4nc3c2c1)N1CCCCC1	ZINC000408975741	564008501	/nfs/dbraw/zinc/00/85/01/564008501.db2.gz	MHDIWYWEQJBQKD-UHFFFAOYSA-N	0	0	330.391	3.890	40	5		EHBBRN
CCCOc1cccc(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)c1	ZINC000014258217	564021871	/nfs/dbraw/zinc/02/18/71/564021871.db2.gz	DAGSWXKRPGZHIB-UHFFFAOYSA-N	0	0	330.340	3.645	40	5		EHBBRN
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000014258313	564021872	/nfs/dbraw/zinc/02/18/72/564021872.db2.gz	LYXBDWVIXLTEBQ-UHFFFAOYSA-N	0	0	335.703	3.717	40	5		EHBBRN
COC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1C	ZINC000047081029	564025695	/nfs/dbraw/zinc/02/56/95/564025695.db2.gz	XJDZYLMNKPCFTB-UHFFFAOYSA-N	0	0	348.742	3.596	40	5		EHBBRN
CCOCc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OC	ZINC000029634152	564153730	/nfs/dbraw/zinc/15/37/30/564153730.db2.gz	PYFYONNALZUIBO-UHFFFAOYSA-N	0	0	344.367	3.701	40	5		EHBBRN
O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(F)c(F)c1	ZINC000004662085	210239933	/nfs/dbraw/zinc/23/99/33/210239933.db2.gz	ANIWMNIMXMJIQH-UHFFFAOYSA-N	0	0	335.291	3.735	40	5		EHBBRN
COc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000059351872	214618073	/nfs/dbraw/zinc/61/80/73/214618073.db2.gz	PSYBCFVGKNGNJA-SNVBAGLBSA-N	0	0	334.759	3.748	40	5		EHBBRN
C[C@@H](CCc1ccccc1)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000003561284	210056104	/nfs/dbraw/zinc/05/61/04/210056104.db2.gz	NYIGBGIUTNFNQO-LBPRGKRZSA-N	0	0	332.787	3.999	40	5		EHBBRN
O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc3ccccc3c2)c1	ZINC000044885326	213657953	/nfs/dbraw/zinc/65/79/53/213657953.db2.gz	IWJAYADGDSBGJY-UHFFFAOYSA-N	0	0	342.376	3.690	40	5		EHBBRN
O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1ccc(F)cc1	ZINC000000177674	209466165	/nfs/dbraw/zinc/46/61/65/209466165.db2.gz	LWRJMLQSXFJTOP-QPEQYQDCSA-N	0	0	346.701	3.732	40	5		EHBBRN
Cc1ccc2c(c1)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)O2	ZINC000217862172	241278661	/nfs/dbraw/zinc/27/86/61/241278661.db2.gz	GJPOAXQLFLZUKC-MRXNPFEDSA-N	0	0	340.379	3.935	40	5		EHBBRN
Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)O2	ZINC000217862088	241279560	/nfs/dbraw/zinc/27/95/60/241279560.db2.gz	GJPOAXQLFLZUKC-INIZCTEOSA-N	0	0	340.379	3.935	40	5		EHBBRN
CCOCc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCC	ZINC000224697831	241774497	/nfs/dbraw/zinc/77/44/97/241774497.db2.gz	QEHKSRBDCBSRMM-UHFFFAOYSA-N	0	0	344.367	3.782	40	5		EHBBRN
CCc1cc([N+](=O)[O-])cc(Br)c1N1C[C@H](C)O[C@@H](C)C1	ZINC000226315749	242098984	/nfs/dbraw/zinc/09/89/84/242098984.db2.gz	QFSLCXLYTNFXBT-UWVGGRQHSA-N	0	0	343.221	3.533	40	5		EHBBRN
CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(OC)cc1	ZINC000020110249	212101861	/nfs/dbraw/zinc/10/18/61/212101861.db2.gz	GRHXJEDPAOMFOJ-MRXNPFEDSA-N	0	0	328.368	3.793	40	5		EHBBRN
O=C(NCCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000006284132	210610604	/nfs/dbraw/zinc/61/06/04/210610604.db2.gz	IRKNCQPIPNWZQW-UHFFFAOYSA-N	0	0	339.178	3.874	40	5		EHBBRN
Cc1ccc(-c2ccc(/C=C3\SC(=O)N(C)C3=O)o2)cc1[N+](=O)[O-]	ZINC000408814704	257888131	/nfs/dbraw/zinc/88/81/31/257888131.db2.gz	HLXLCPRCQQYGPC-ZSOIEALJSA-N	0	0	344.348	3.829	40	5		EHBBRN
Cc1ccc(-c2nnc(SC(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000408599158	257894742	/nfs/dbraw/zinc/89/47/42/257894742.db2.gz	FNBMJGXUWIVPQT-UHFFFAOYSA-N	0	0	341.348	3.886	40	5		EHBBRN
CC(C)c1nc(Cl)cc(Nc2cc(Cl)ccc2[N+](=O)[O-])n1	ZINC000329034266	257904114	/nfs/dbraw/zinc/90/41/14/257904114.db2.gz	QWVWGSABSJHKJN-UHFFFAOYSA-N	0	0	327.171	3.981	40	5		EHBBRN
COc1c(C(=O)N2CCCC[C@H]2C)cc(C(C)(C)C)cc1[N+](=O)[O-]	ZINC000072206634	563984342	/nfs/dbraw/zinc/98/43/42/563984342.db2.gz	QQAJTBVMSOVSDB-GFCCVEGCSA-N	0	0	334.416	3.916	40	5		EHBBRN
Cc1ccc(O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)c1	ZINC000008048867	563995586	/nfs/dbraw/zinc/99/55/86/563995586.db2.gz	VWZCLLMVXOXBOX-AWEZNQCLSA-N	0	0	328.368	3.926	40	5		EHBBRN
COc1ccc([N+](=O)[O-])cc1[C@@H]1Nc2ccc(F)cc2[C@@H]2OCC[C@@H]21	ZINC000409191077	564010914	/nfs/dbraw/zinc/01/09/14/564010914.db2.gz	ZJBFVBZEJYBARD-NXOUGTEYSA-N	0	0	344.342	3.987	40	5		EHBBRN
O=C(CCc1ccc2c(c1)OCO2)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000222650394	564054300	/nfs/dbraw/zinc/05/43/00/564054300.db2.gz	RSTBKKIPCYHOGK-UHFFFAOYSA-N	0	0	348.742	3.548	40	5		EHBBRN
O=C1OC(c2ccccc2F)=N/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000001441679	564070825	/nfs/dbraw/zinc/07/08/25/564070825.db2.gz	BDRRTZCMNVAVSB-QPEQYQDCSA-N	0	0	346.701	3.732	40	5		EHBBRN
Cc1ccc(C)c(OCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000223976294	564082863	/nfs/dbraw/zinc/08/28/63/564082863.db2.gz	RYSYWYYLLXHSJU-UHFFFAOYSA-N	0	0	348.786	3.674	40	5		EHBBRN
O=C(COc1ccccc1Cl)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000007167799	564105561	/nfs/dbraw/zinc/10/55/61/564105561.db2.gz	YFYANVHXYLOICX-UHFFFAOYSA-N	0	0	341.150	3.919	40	5		EHBBRN
CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000224743537	564118752	/nfs/dbraw/zinc/11/87/52/564118752.db2.gz	IWOROOQFNFEBFW-UHFFFAOYSA-N	0	0	348.424	3.933	40	5		EHBBRN
O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccc(C(F)F)cc1	ZINC000033668307	564128376	/nfs/dbraw/zinc/12/83/76/564128376.db2.gz	YDGFBGLULMKLPL-UHFFFAOYSA-N	0	0	339.323	3.658	40	5		EHBBRN
CC(C)(C)C1CCC2(CC1)NC(=S)N(c1ccc([N+](=O)[O-])cc1)N2	ZINC000225348495	564134129	/nfs/dbraw/zinc/13/41/29/564134129.db2.gz	ZDHCFRCZZSJVSC-UHFFFAOYSA-N	0	0	348.472	3.727	40	5		EHBBRN
CCc1ccc(C(=O)NC(=S)Nc2ccc(C)cc2[N+](=O)[O-])cc1	ZINC000009064165	564134199	/nfs/dbraw/zinc/13/41/99/564134199.db2.gz	KXUKQLPBLIXHKF-UHFFFAOYSA-N	0	0	343.408	3.592	40	5		EHBBRN
Cc1c(Nc2cc(Cl)nc(-c3ccncc3)n2)cccc1[N+](=O)[O-]	ZINC000329069103	564137656	/nfs/dbraw/zinc/13/76/56/564137656.db2.gz	YVDLJMBNRGTAJB-UHFFFAOYSA-N	0	0	341.758	3.574	40	5		EHBBRN
CC(C)[C@@H]1CC[C@@H](C)[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000003845747	564159507	/nfs/dbraw/zinc/15/95/07/564159507.db2.gz	LTRDGCCRAMQMOX-UHOFOFEASA-N	0	0	333.384	3.639	40	5		EHBBRN
Cc1cc2cc(CNc3ccc([N+](=O)[O-])cc3C)c(=O)[nH]c2cc1C	ZINC000004126360	210127988	/nfs/dbraw/zinc/12/79/88/210127988.db2.gz	XPYFWBYPZDBNQR-UHFFFAOYSA-N	0	0	337.379	3.974	40	5		EHBBRN
Cc1cc(C)c2[nH]c(=O)c(CNc3cc([N+](=O)[O-])ccc3C)cc2c1	ZINC000004126344	210127431	/nfs/dbraw/zinc/12/74/31/210127431.db2.gz	MPTOULFZWVRWLK-UHFFFAOYSA-N	0	0	337.379	3.974	40	5		EHBBRN
O=[N+]([O-])c1ccc(-c2n[nH]c(CNc3ccc(Cl)cc3)n2)cc1	ZINC000040174561	213279441	/nfs/dbraw/zinc/27/94/41/213279441.db2.gz	KUUBBQDCQIMYFJ-UHFFFAOYSA-N	0	0	329.747	3.645	40	5		EHBBRN
COc1cccc(-c2nnc(-c3ccc(Cl)c([N+](=O)[O-])c3)[nH]2)c1	ZINC000040169660	213278306	/nfs/dbraw/zinc/27/83/06/213278306.db2.gz	BIYKBSZXBYRCMG-UHFFFAOYSA-N	0	0	330.731	3.709	40	5		EHBBRN
CCCOc1ccccc1CCCNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000217865225	241279581	/nfs/dbraw/zinc/27/95/81/241279581.db2.gz	GFCZBTOUCPQQKK-UHFFFAOYSA-N	0	0	342.395	3.746	40	5		EHBBRN
Cc1ccccc1OC[C@H](C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1	ZINC000217888425	241280910	/nfs/dbraw/zinc/28/09/10/241280910.db2.gz	FCZAWBCWWLUVEL-NKSUMMKUSA-N	0	0	340.379	3.500	40	5		EHBBRN
CCc1ccc(CC)c(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000224720934	241776913	/nfs/dbraw/zinc/77/69/13/241776913.db2.gz	PAQGAVCCFCBHTO-UHFFFAOYSA-N	0	0	326.396	3.958	40	5		EHBBRN
O=[N+]([O-])c1ccc(N2CCCC2)c(OCCOc2ccccc2)c1	ZINC000020530005	212143661	/nfs/dbraw/zinc/14/36/61/212143661.db2.gz	HOZMTELVLFWZIV-UHFFFAOYSA-N	0	0	328.368	3.653	40	5		EHBBRN
Cc1ccccc1-c1nc(SCc2ccc([N+](=O)[O-])cc2)n[nH]1	ZINC000020195614	212109226	/nfs/dbraw/zinc/10/92/26/212109226.db2.gz	QSZMGFGHKUBLGF-UHFFFAOYSA-N	0	0	326.381	3.981	40	5		EHBBRN
CC(C)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000019933991	212086340	/nfs/dbraw/zinc/08/63/40/212086340.db2.gz	DXEZISNUBWZBIR-KRWDZBQOSA-N	0	0	348.424	3.661	40	5		EHBBRN
Cc1cccc(-c2nc(SCc3cccc([N+](=O)[O-])c3)n[nH]2)c1	ZINC000019927533	212084956	/nfs/dbraw/zinc/08/49/56/212084956.db2.gz	QFJBYKUOUJBPKO-UHFFFAOYSA-N	0	0	326.381	3.981	40	5		EHBBRN
Cc1cc(C)c(NC(=O)[C@]23CC[C@](C)(C(=O)C2)C3(C)C)c([N+](=O)[O-])c1	ZINC000004844632	210297587	/nfs/dbraw/zinc/29/75/87/210297587.db2.gz	FCQGAIRGTNECQU-MOPGFXCFSA-N	0	0	344.411	3.936	40	5		EHBBRN
Cc1cccc(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1	ZINC000006450797	257866418	/nfs/dbraw/zinc/86/64/18/257866418.db2.gz	SWDLDNYQAOXKNS-LLVKDONJSA-N	0	0	334.759	3.963	40	5		EHBBRN
Cc1ccc(CCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000013675055	563931694	/nfs/dbraw/zinc/93/16/94/563931694.db2.gz	JJJLPMSNEPVMMT-UHFFFAOYSA-N	0	0	332.787	3.919	40	5		EHBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccccc1Cl	ZINC000013709936	563932112	/nfs/dbraw/zinc/93/21/12/563932112.db2.gz	XFKOSMAVTLGBKY-NSHDSACASA-N	0	0	334.759	3.963	40	5		EHBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1	ZINC000014006958	563982505	/nfs/dbraw/zinc/98/25/05/563982505.db2.gz	HKMBLVRIFZWCPD-LLVKDONJSA-N	0	0	334.759	3.963	40	5		EHBBRN
CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)COc1ccc(C)cc1	ZINC000072228780	563985921	/nfs/dbraw/zinc/98/59/21/563985921.db2.gz	RVCZIBKMWATERI-UHFFFAOYSA-N	0	0	328.368	3.792	40	5		EHBBRN
O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000003505004	563991297	/nfs/dbraw/zinc/99/12/97/563991297.db2.gz	VDLVNJXWPLDTSL-UHFFFAOYSA-N	0	0	336.687	3.513	40	5		EHBBRN
CC(=O)c1ccc(NC(=O)CSCc2cccc([N+](=O)[O-])c2)cc1	ZINC000408723761	563993691	/nfs/dbraw/zinc/99/36/91/563993691.db2.gz	KJIPMSGTEPAXPA-UHFFFAOYSA-N	0	0	344.392	3.669	40	5		EHBBRN
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(C)C2=O)o1	ZINC000408815072	563993768	/nfs/dbraw/zinc/99/37/68/563993768.db2.gz	UEPWAHKLDVZIMT-ZSOIEALJSA-N	0	0	344.348	3.829	40	5		EHBBRN
Cc1cc(C(F)(F)F)nc(Sc2ccc(C=O)cc2[N+](=O)[O-])n1	ZINC000409384812	563994502	/nfs/dbraw/zinc/99/45/02/563994502.db2.gz	DNVPASMSIJRJCR-UHFFFAOYSA-N	0	0	343.286	3.676	40	5		EHBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1	ZINC000000579674	564023592	/nfs/dbraw/zinc/02/35/92/564023592.db2.gz	RHLUPSXSXZLJJY-LLVKDONJSA-N	0	0	334.759	3.963	40	5		EHBBRN
Cc1cc(C)c([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C	ZINC000223430440	564074245	/nfs/dbraw/zinc/07/42/45/564074245.db2.gz	VXCVSOPXMHOJMC-AWEZNQCLSA-N	0	0	348.424	3.560	40	5		EHBBRN
Cn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1	ZINC000006320563	564084482	/nfs/dbraw/zinc/08/44/82/564084482.db2.gz	DTACWJDTMMPJGX-UHFFFAOYSA-N	0	0	326.381	3.683	40	5		EHBBRN
O=C1NN/C(=C\Sc2ccc(Cl)cc2)c2c1cccc2[N+](=O)[O-]	ZINC000006382933	564085407	/nfs/dbraw/zinc/08/54/07/564085407.db2.gz	SKWPZJONBFUIJV-WQLSENKSSA-N	0	0	347.783	3.587	40	5		EHBBRN
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(Oc2ccccc2)nc1	ZINC000007382588	564107593	/nfs/dbraw/zinc/10/75/93/564107593.db2.gz	PURQUYJXFMIRSA-UHFFFAOYSA-N	0	0	349.346	3.963	40	5		EHBBRN
Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2C)c1	ZINC000017071671	564116354	/nfs/dbraw/zinc/11/63/54/564116354.db2.gz	MRYWSLXYSMPCRC-UHFFFAOYSA-N	0	0	343.408	3.647	40	5		EHBBRN
Cc1cc(Cl)ccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000003148194	564155477	/nfs/dbraw/zinc/15/54/77/564155477.db2.gz	GGJVNEZOPLOSAW-UHFFFAOYSA-N	0	0	335.703	3.717	40	5		EHBBRN
CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225033297	568422244	/nfs/dbraw/zinc/42/22/44/568422244.db2.gz	KCHMLULVHMIHFD-UHFFFAOYSA-N	0	0	348.424	3.735	40	5		EHBBRN
Cc1ccccc1Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)[nH]1	ZINC000226299755	1120291844	/nfs/dbraw/zinc/29/18/44/1120291844.db2.gz	RTWPBJAIAHLKMF-UHFFFAOYSA-N	0	0	340.408	3.904	40	5		EHBBRN
O=C(Nc1ccccc1[N+](=O)[O-])/C(Br)=C/c1ccccc1	ZINC000004387968	210186163	/nfs/dbraw/zinc/18/61/63/210186163.db2.gz	QCXNGCZDMLIBGX-BENRWUELSA-N	0	0	347.168	3.969	40	5		EHBBRN
CCN(C1CCCCC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000041095083	213415536	/nfs/dbraw/zinc/41/55/36/213415536.db2.gz	QARMJXWHHLVECZ-UHFFFAOYSA-N	0	0	346.836	3.592	40	5		EHBBRN
O=[N+]([O-])c1cc(Br)cnc1NCc1ccc(F)c(F)c1	ZINC000039956820	213245793	/nfs/dbraw/zinc/24/57/93/213245793.db2.gz	WDIALAIVGVETJW-UHFFFAOYSA-N	0	0	344.115	3.643	40	5		EHBBRN
CC[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1	ZINC000021836354	212254979	/nfs/dbraw/zinc/25/49/79/212254979.db2.gz	WWECQNQEJOEGDP-QPEODSHDSA-N	0	0	340.379	3.884	40	5		EHBBRN
CCc1ccccc1O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000020484476	212136625	/nfs/dbraw/zinc/13/66/25/212136625.db2.gz	HENNLJZARAOHMR-CYBMUJFWSA-N	0	0	328.368	3.872	40	5		EHBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccccc1Cl	ZINC000013709934	211616812	/nfs/dbraw/zinc/61/68/12/211616812.db2.gz	XFKOSMAVTLGBKY-LLVKDONJSA-N	0	0	334.759	3.963	40	5		EHBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1cccc(C)c1	ZINC000008907752	211016443	/nfs/dbraw/zinc/01/64/43/211016443.db2.gz	ULQYEUPZHOSYLF-UHFFFAOYSA-N	0	0	346.408	3.784	40	5		EHBBRN
COc1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000005526967	563537405	/nfs/dbraw/zinc/53/74/05/563537405.db2.gz	NSYSSGLAHYSALD-UHFFFAOYSA-N	0	0	334.759	3.828	40	5		EHBBRN
Cc1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)o1	ZINC000205678988	563958075	/nfs/dbraw/zinc/95/80/75/563958075.db2.gz	OMPRNURJEAOBKL-RIYZIHGNSA-N	0	0	344.348	3.733	40	5		EHBBRN
O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000005567733	564005556	/nfs/dbraw/zinc/00/55/56/564005556.db2.gz	RIHFIUSIYCQZQY-UHFFFAOYSA-N	0	0	339.666	3.548	40	5		EHBBRN
CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1C	ZINC000044840991	564027293	/nfs/dbraw/zinc/02/72/93/564027293.db2.gz	CHLNKPALBAAILY-QGZVFWFLSA-N	0	0	344.367	3.708	40	5		EHBBRN
CCC(=O)Nc1cc(N2CCCC[C@@H]2C)c([N+](=O)[O-])cc1Cl	ZINC000045891865	564028768	/nfs/dbraw/zinc/02/87/68/564028768.db2.gz	ZOGAMBOXVVSESX-JTQLQIEISA-N	0	0	325.796	3.976	40	5		EHBBRN
Cc1cc(C)c([C@H](C)NC(=O)Cc2ccccc2[N+](=O)[O-])cc1C	ZINC000223402277	564074049	/nfs/dbraw/zinc/07/40/49/564074049.db2.gz	SACCFLGYWOIDFL-HNNXBMFYSA-N	0	0	326.396	3.940	40	5		EHBBRN
O=C(CCC(CCC(=O)c1ccccc1)[N+](=O)[O-])c1ccccc1	ZINC000001595445	564081700	/nfs/dbraw/zinc/08/17/00/564081700.db2.gz	BZBXIPQOTHSYJX-UHFFFAOYSA-N	0	0	325.364	3.958	40	5		EHBBRN
C[C@@H](CCc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000006249565	564083203	/nfs/dbraw/zinc/08/32/03/564083203.db2.gz	ZITAITGUCJOFIF-LBPRGKRZSA-N	0	0	332.787	3.999	40	5		EHBBRN
CCOc1ccccc1NC(=O)c1coc2ccc([N+](=O)[O-])cc12	ZINC000138209682	564093132	/nfs/dbraw/zinc/09/31/32/564093132.db2.gz	ZLBQFIBIMITWEQ-UHFFFAOYSA-N	0	0	326.308	3.992	40	5		EHBBRN
COc1cc2c(cc1OC)C(=O)[C@H](c1ccc([N+](=O)[O-])cc1)CC2	ZINC000169800201	564101191	/nfs/dbraw/zinc/10/11/91/564101191.db2.gz	UBLKHOCZOUCQDW-AWEZNQCLSA-N	0	0	327.336	3.525	40	5		EHBBRN
COc1ccccc1CNc1ccc(Br)cc1[N+](=O)[O-]	ZINC000007270142	564112829	/nfs/dbraw/zinc/11/28/29/564112829.db2.gz	BQIWCNZAXIGCFK-UHFFFAOYSA-N	0	0	337.173	3.978	40	5		EHBBRN
O=C(CCn1ccc([N+](=O)[O-])n1)N(C1CCCCC1)C1CCCCC1	ZINC000002775045	209908261	/nfs/dbraw/zinc/90/82/61/209908261.db2.gz	TZUKNBXBOATZQQ-UHFFFAOYSA-N	0	0	348.447	3.675	40	5		EHBBRN
O=Cc1cn(C(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc12	ZINC000216961003	241227951	/nfs/dbraw/zinc/22/79/51/241227951.db2.gz	YKXIYAZYYCGVKI-UHFFFAOYSA-N	0	0	328.711	3.704	40	5		EHBBRN
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000217862355	241279404	/nfs/dbraw/zinc/27/94/04/241279404.db2.gz	XFEDMVAFPWTHDD-MRXNPFEDSA-N	0	0	340.379	3.935	40	5		EHBBRN
CCc1ccc(CC)c(CNC(=O)c2cccc([N+](=O)[O-])c2C)c1	ZINC000225823962	242052701	/nfs/dbraw/zinc/05/27/01/242052701.db2.gz	FMHDJGAEANSYPW-UHFFFAOYSA-N	0	0	326.396	3.958	40	5		EHBBRN
CCOc1ccc([C@H](C)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1	ZINC000011169106	211206540	/nfs/dbraw/zinc/20/65/40/211206540.db2.gz	VQFZPSWBPYWMBK-BLXFFLACSA-N	0	0	340.379	3.884	40	5		EHBBRN
Cc1ccc(S(=O)(=O)NCCC2CCCCCC2)cc1[N+](=O)[O-]	ZINC000010543497	211180127	/nfs/dbraw/zinc/18/01/27/211180127.db2.gz	HGYYDOTXHQHBCB-UHFFFAOYSA-N	0	0	340.445	3.542	40	5		EHBBRN
O=C(Cc1cccc(Br)c1)Nc1cccc([N+](=O)[O-])c1	ZINC000225614673	564048435	/nfs/dbraw/zinc/04/84/35/564048435.db2.gz	WIGZOJNVTMGEQQ-UHFFFAOYSA-N	0	0	335.157	3.539	40	5		EHBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1cc(C)ccc1C	ZINC000013710593	563932097	/nfs/dbraw/zinc/93/20/97/563932097.db2.gz	NYGBRQXWXYGBEQ-CYBMUJFWSA-N	0	0	344.367	3.626	40	5		EHBBRN
S=C(Nc1ccc2nc3ccccc3nc2c1)N1CCSCC1	ZINC000408977557	564008540	/nfs/dbraw/zinc/00/85/40/564008540.db2.gz	XEJJQFUMTPNTKS-UHFFFAOYSA-N	0	0	340.477	3.529	40	5		EHBBRN
Cc1nc(-c2ccccc2)ncc1C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000000516097	564020036	/nfs/dbraw/zinc/02/00/36/564020036.db2.gz	RAMNDZFFAFLJFR-UHFFFAOYSA-N	0	0	334.335	3.613	40	5		EHBBRN
C[C@H]1CCCCN1c1c2sc(N)nc2c(Cl)cc1[N+](=O)[O-]	ZINC000045891367	564028775	/nfs/dbraw/zinc/02/87/75/564028775.db2.gz	RTWHMWXVQWDHQO-ZETCQYMHSA-N	0	0	326.809	3.819	40	5		EHBBRN
Cc1ccc(S(=O)(=O)NCc2ccc(C(C)C)cc2)cc1[N+](=O)[O-]	ZINC000223726230	564081878	/nfs/dbraw/zinc/08/18/78/564081878.db2.gz	KPVHERIRTFLGQG-UHFFFAOYSA-N	0	0	348.424	3.505	40	5		EHBBRN
CC(C)c1ccccc1OCCNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000223744226	564081903	/nfs/dbraw/zinc/08/19/03/564081903.db2.gz	GNJSETNSPUDAKZ-UHFFFAOYSA-N	0	0	328.368	3.527	40	5		EHBBRN
C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000224416094	564090421	/nfs/dbraw/zinc/09/04/21/564090421.db2.gz	KWQNYDZUSUZLQR-CYBMUJFWSA-N	0	0	340.379	3.880	40	5		EHBBRN
COc1ccc(SCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1	ZINC000007269524	564106173	/nfs/dbraw/zinc/10/61/73/564106173.db2.gz	RWMFOGGWCZZFTP-UHFFFAOYSA-N	0	0	332.381	3.643	40	5		EHBBRN
CCN(c1cccc(C)c1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000225078896	564125328	/nfs/dbraw/zinc/12/53/28/564125328.db2.gz	GVXNOUQYGNDILV-UHFFFAOYSA-N	0	0	348.424	3.735	40	5		EHBBRN
CC(C)Oc1cccc(CCCNC(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000010542300	564134646	/nfs/dbraw/zinc/13/46/46/564134646.db2.gz	PMCQEIBXYGDXMS-UHFFFAOYSA-N	0	0	342.395	3.745	40	5		EHBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)SCc1ccccc1	ZINC000003529177	564158711	/nfs/dbraw/zinc/15/87/11/564158711.db2.gz	SGMBIXYGPMUUMU-GFCCVEGCSA-N	0	0	346.408	3.864	40	5		EHBBRN
O=C(NCCc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000008084967	564162630	/nfs/dbraw/zinc/16/26/30/564162630.db2.gz	WXFLZQZCIFZSSC-UHFFFAOYSA-N	0	0	339.178	3.874	40	5		EHBBRN
O=C(CN(c1ccccc1)C1=NCCCC1)c1cccc([N+](=O)[O-])c1	ZINC000008436125	564165329	/nfs/dbraw/zinc/16/53/29/564165329.db2.gz	IDKYYUDDDDMMPP-UHFFFAOYSA-N	0	0	337.379	3.867	40	5		EHBBRN
O=C(COc1cccc(Cl)c1)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000003603991	210063311	/nfs/dbraw/zinc/06/33/11/210063311.db2.gz	DWLUSFSQSZQVRA-UHFFFAOYSA-N	0	0	341.150	3.919	40	5		EHBBRN
Cc1ccccc1C(=O)Nc1cc(N(C)C)c([N+](=O)[O-])cc1Cl	ZINC000072229115	216071346	/nfs/dbraw/zinc/07/13/46/216071346.db2.gz	YRTXTZOPQORTQG-UHFFFAOYSA-N	0	0	333.775	3.875	40	5		EHBBRN
O=C(NCCOc1cccc2ccccc21)c1cccc([N+](=O)[O-])c1	ZINC000005876645	210552980	/nfs/dbraw/zinc/55/29/80/210552980.db2.gz	WTXBDLWRXXMAMS-UHFFFAOYSA-N	0	0	336.347	3.557	40	5		EHBBRN
Cc1ccccc1OCC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1	ZINC000005815858	210541702	/nfs/dbraw/zinc/54/17/02/210541702.db2.gz	VSIFBIFSWIARJZ-UHFFFAOYSA-N	0	0	343.364	3.530	40	5		EHBBRN
Cc1ccc(NC(=O)CSc2nc3ccccc3o2)c([N+](=O)[O-])c1	ZINC000005034476	210369743	/nfs/dbraw/zinc/36/97/43/210369743.db2.gz	WAISWGRSWYCCKZ-UHFFFAOYSA-N	0	0	343.364	3.775	40	5		EHBBRN
CC(C)Oc1cccc(CCCNC(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000013670266	257912263	/nfs/dbraw/zinc/91/22/63/257912263.db2.gz	KMIISWRILZPYRG-UHFFFAOYSA-N	0	0	342.395	3.745	40	5		EHBBRN
COC(=O)CCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	ZINC000216926660	536462132	/nfs/dbraw/zinc/46/21/32/536462132.db2.gz	RBLIMADXTQBRSV-UHFFFAOYSA-N	0	0	349.770	3.933	40	5		EHBBRN
CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(OC)c(C)c1	ZINC000225210655	535884753	/nfs/dbraw/zinc/88/47/53/535884753.db2.gz	DTCBTUZCDOBPHQ-INIZCTEOSA-N	0	0	328.368	3.793	40	5		EHBBRN
OCCN(CCO)c1cc2c3ccccc3ccc2c2ccccc21	ZINC000001724357	563407240	/nfs/dbraw/zinc/40/72/40/563407240.db2.gz	BTNXMDVSFARFLG-UHFFFAOYSA-N	0	0	331.415	3.937	40	5		EHBBRN
C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1	ZINC000014268891	563983852	/nfs/dbraw/zinc/98/38/52/563983852.db2.gz	PKLMTSBHTMMQGG-GFCCVEGCSA-N	0	0	329.356	3.819	40	5		EHBBRN
Cc1cc(C=O)c(C)n1Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000408567876	563993418	/nfs/dbraw/zinc/99/34/18/563993418.db2.gz	PYBDIQZHWRURHF-UHFFFAOYSA-N	0	0	327.262	3.720	40	5		EHBBRN
CCCC[C@@](CCc1ccccc1[N+](=O)[O-])(C(C)=O)C(=O)OCC	ZINC000005554067	564005370	/nfs/dbraw/zinc/00/53/70/564005370.db2.gz	UAIKRYRQSOTUBI-GOSISDBHSA-N	0	0	335.400	3.856	40	5		EHBBRN
O=C(Cc1ccc(Cl)cc1)Sc1nc2cc([N+](=O)[O-])ccc2[nH]1	ZINC000409390315	564011988	/nfs/dbraw/zinc/01/19/88/564011988.db2.gz	CKOUIPUTNNQDJE-UHFFFAOYSA-N	0	0	347.783	3.986	40	5		EHBBRN
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)NCc1ccco1	ZINC000021595299	564033924	/nfs/dbraw/zinc/03/39/24/564033924.db2.gz	CCQHHHNNZWKCJX-CSKARUKUSA-N	0	0	338.319	3.777	40	5		EHBBRN
CCc1ccc(CC)c(CNC(=O)Cc2ccccc2[N+](=O)[O-])c1	ZINC000223363566	564073057	/nfs/dbraw/zinc/07/30/57/564073057.db2.gz	NIUFNDKBDYBTFD-UHFFFAOYSA-N	0	0	326.396	3.579	40	5		EHBBRN
Cc1cc(C)c([C@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1C	ZINC000223430308	564074199	/nfs/dbraw/zinc/07/41/99/564074199.db2.gz	SYJVCTXWDZKGGS-AWEZNQCLSA-N	0	0	348.424	3.560	40	5		EHBBRN
O=[N+]([O-])c1cc(Cl)ccc1OS(=O)(=O)c1ccc(Cl)cc1	ZINC000006322281	564084803	/nfs/dbraw/zinc/08/48/03/564084803.db2.gz	XVAAXMDJRCKYAD-UHFFFAOYSA-N	0	0	348.163	3.669	40	5		EHBBRN
O=[N+]([O-])c1cccc(Nc2nc(Cl)nc(NC3CCCCC3)n2)c1	ZINC000199800854	564124833	/nfs/dbraw/zinc/12/48/33/564124833.db2.gz	OTNDQTZMOGQHNH-UHFFFAOYSA-N	0	0	348.794	3.921	40	5		EHBBRN
Cc1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc1	ZINC000000422952	564125198	/nfs/dbraw/zinc/12/51/98/564125198.db2.gz	BVRCWSNTUBSZJC-YJBOKZPZSA-N	0	0	339.351	3.673	40	5		EHBBRN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1ccc(C(C)C)cc1	ZINC000225071790	564125324	/nfs/dbraw/zinc/12/53/24/564125324.db2.gz	RFXKGZIHODYASS-UHFFFAOYSA-N	0	0	348.424	3.852	40	5		EHBBRN
O=C(OCc1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1Cl	ZINC000006591951	564126077	/nfs/dbraw/zinc/12/60/77/564126077.db2.gz	ORQXXUCNOQRSPB-UHFFFAOYSA-N	0	0	336.687	3.513	40	5		EHBBRN
COc1ccccc1[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@@H]2OCC[C@@H]21	ZINC000006955708	564126327	/nfs/dbraw/zinc/12/63/27/564126327.db2.gz	XCRRVVRBXMPBEW-JEBQAFNWSA-N	0	0	326.352	3.848	40	5		EHBBRN
S=C(NCc1ccco1)Nc1cc2cccnc2c2ncccc12	ZINC000033696809	564128372	/nfs/dbraw/zinc/12/83/72/564128372.db2.gz	SJXHMHTYHHBXLG-UHFFFAOYSA-N	0	0	334.404	3.863	40	5		EHBBRN
CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1	ZINC000013281851	564133959	/nfs/dbraw/zinc/13/39/59/564133959.db2.gz	OGKTXRRKADAZRO-MRXNPFEDSA-N	0	0	338.367	3.598	40	5		EHBBRN
CC[C@H](Oc1ccccc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1C	ZINC000078700649	564134572	/nfs/dbraw/zinc/13/45/72/564134572.db2.gz	GJNYYPQZJYVKDO-HNNXBMFYSA-N	0	0	332.331	3.838	40	5		EHBBRN
Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-]	ZINC000003147168	564155463	/nfs/dbraw/zinc/15/54/63/564155463.db2.gz	VFXWEALSKOJOIF-UHFFFAOYSA-N	0	0	342.376	3.857	40	5		EHBBRN
Cc1ccc(-c2nnc(NC(=O)c3ccccc3[N+](=O)[O-])s2)cc1	ZINC000059475051	564161394	/nfs/dbraw/zinc/16/13/94/564161394.db2.gz	BUSJNMZKBFYZRP-UHFFFAOYSA-N	0	0	340.364	3.674	40	5		EHBBRN
COc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000059351871	214617560	/nfs/dbraw/zinc/61/75/60/214617560.db2.gz	PSYBCFVGKNGNJA-JTQLQIEISA-N	0	0	334.759	3.748	40	5		EHBBRN
Cn1/c(=N/c2ccccc2)ss/c1=N\c1ccc([N+](=O)[O-])cc1	ZINC000003844404	210079507	/nfs/dbraw/zinc/07/95/07/210079507.db2.gz	KTVKQYSVFNMRRO-RYOQUFEFSA-N	0	0	344.421	3.521	40	5		EHBBRN
CC(C)(C)OC(=O)N1CCC(Nc2cccc(F)c2[N+](=O)[O-])CC1	ZINC000067800457	215214810	/nfs/dbraw/zinc/21/48/10/215214810.db2.gz	LGCAUFCZVZDIEV-UHFFFAOYSA-N	0	0	339.367	3.545	40	5		EHBBRN
C[C@H](CCc1nc2ccccc2[nH]1)OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000000244929	209502063	/nfs/dbraw/zinc/50/20/63/209502063.db2.gz	YINXEWLKCQIUAJ-GFCCVEGCSA-N	0	0	339.351	3.649	40	5		EHBBRN
O=[N+]([O-])c1ccc(C2=NSC3=NCC(C4CCCCC4)=NN23)cc1	ZINC000028534614	212624140	/nfs/dbraw/zinc/62/41/40/212624140.db2.gz	KRZGEDLITLBCEH-UHFFFAOYSA-N	0	0	343.412	3.611	40	5		EHBBRN
C[C@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1	ZINC000216319411	241183279	/nfs/dbraw/zinc/18/32/79/241183279.db2.gz	KJSDUPAGUMQKAR-LBPRGKRZSA-N	0	0	348.399	3.845	40	5		EHBBRN
Cc1ccc(OC[C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000218124326	241300328	/nfs/dbraw/zinc/30/03/28/241300328.db2.gz	SZIITQGBIWPLCX-GFCCVEGCSA-N	0	0	348.786	3.754	40	5		EHBBRN
COc1ccc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	ZINC000020493806	212140137	/nfs/dbraw/zinc/14/01/37/212140137.db2.gz	FQFXJKCYLLCHPT-NSHDSACASA-N	0	0	332.381	3.723	40	5		EHBBRN
Cc1ccc(C)c(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1	ZINC000013710686	211617510	/nfs/dbraw/zinc/61/75/10/211617510.db2.gz	OCSZDMSSETVJHN-CQSZACIVSA-N	0	0	328.368	3.926	40	5		EHBBRN
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)COc1ccc([N+](=O)[O-])cc1	ZINC000011027016	211200448	/nfs/dbraw/zinc/20/04/48/211200448.db2.gz	XFHUVRDOFXUZPY-JQFCIGGWSA-N	0	0	335.400	3.978	40	5		EHBBRN
CCOc1ccc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1	ZINC000011170028	211206820	/nfs/dbraw/zinc/20/68/20/211206820.db2.gz	XIJFYHVYWFQIBD-CYBMUJFWSA-N	0	0	328.368	3.793	40	5		EHBBRN
Cc1cc(C(=O)Nc2ccc(N3CCCC3)cc2)ccc1[N+](=O)[O-]	ZINC000007951271	210869412	/nfs/dbraw/zinc/86/94/12/210869412.db2.gz	UURGEODCXHMMIM-UHFFFAOYSA-N	0	0	325.368	3.756	40	5		EHBBRN
O=c1[nH]c(-c2cccc([N+](=O)[O-])c2)cc2c3ccccc3oc(=O)c12	ZINC000408718416	257891052	/nfs/dbraw/zinc/89/10/52/257891052.db2.gz	WVOMTWPVUTUBDW-UHFFFAOYSA-N	0	0	334.287	3.622	40	5		EHBBRN
CCOc1ccccc1CCCNC(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000010110878	257861505	/nfs/dbraw/zinc/86/15/05/257861505.db2.gz	MHQJVUCUBWBYFC-UHFFFAOYSA-N	0	0	342.395	3.665	40	5		EHBBRN
Cc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1[N+](=O)[O-]	ZINC000013646154	563930976	/nfs/dbraw/zinc/93/09/76/563930976.db2.gz	DLRKFFHQEXLAQM-OAHLLOKOSA-N	0	0	340.379	3.935	40	5		EHBBRN
Cc1ccc(C(=O)N2CCN=Cc3cc([N+](=O)[O-])ccc32)cc1Cl	ZINC000073642621	563931362	/nfs/dbraw/zinc/93/13/62/563931362.db2.gz	KMJRCVRHMJSPPV-UHFFFAOYSA-N	0	0	343.770	3.636	40	5		EHBBRN
Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000071977395	563983918	/nfs/dbraw/zinc/98/39/18/563983918.db2.gz	TWSBTDQBEZGCHT-UHFFFAOYSA-N	0	0	326.743	3.954	40	5		EHBBRN
CC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnc(-c2ccccc2)o1	ZINC000408582416	563993496	/nfs/dbraw/zinc/99/34/96/563993496.db2.gz	NZQIXDFDDNNQIS-UHFFFAOYSA-N	0	0	341.348	3.999	40	5		EHBBRN
C[C@@H](NC(=O)CSCc1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000408723801	563993718	/nfs/dbraw/zinc/99/37/18/563993718.db2.gz	OSEXIJRQCJGVGO-CYBMUJFWSA-N	0	0	330.409	3.705	40	5		EHBBRN
CCOc1ccccc1NC(=O)CSCc1cccc([N+](=O)[O-])c1	ZINC000408728250	563993721	/nfs/dbraw/zinc/99/37/21/563993721.db2.gz	YEOBEMYMLPIDRV-UHFFFAOYSA-N	0	0	346.408	3.865	40	5		EHBBRN
Cc1cccc(C)c1NC(=S)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000005588384	564005926	/nfs/dbraw/zinc/00/59/26/564005926.db2.gz	YATOBMYKFGOHHA-UHFFFAOYSA-N	0	0	329.381	3.590	40	5		EHBBRN
O=C(Oc1ccc2nc3[nH]c4ccccc4c3nc2c1)c1cccnc1	ZINC000408975273	564008489	/nfs/dbraw/zinc/00/84/89/564008489.db2.gz	LPXBTJCYCUIZLI-UHFFFAOYSA-N	0	0	340.342	3.879	40	5		EHBBRN
CCCCCC(=O)NC(=S)Nc1cc(Cl)c([N+](=O)[O-])cc1C	ZINC000014257732	564021747	/nfs/dbraw/zinc/02/17/47/564021747.db2.gz	AQGFLAAILAOCAQ-UHFFFAOYSA-N	0	0	343.836	3.950	40	5		EHBBRN
O=C(O[C@@H]1C[C@]23C[C@H]4O[C@H]1C[C@@]42CCCC3)c1ccc([N+](=O)[O-])cc1	ZINC000045070402	564028075	/nfs/dbraw/zinc/02/80/75/564028075.db2.gz	XMYLNJHLYQFDBD-DARIXABFSA-N	0	0	343.379	3.632	40	5		EHBBRN
CC(C)c1ccc(N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000150766267	564031875	/nfs/dbraw/zinc/03/18/75/564031875.db2.gz	UAEJWLVDCXAALB-UHFFFAOYSA-N	0	0	334.397	3.543	40	5		EHBBRN
C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccccc2[N+](=O)[O-])S1	ZINC000260758966	564052505	/nfs/dbraw/zinc/05/25/05/564052505.db2.gz	DRGKMQAIXPBART-HFBAOOFYSA-N	0	0	340.408	3.579	40	5		EHBBRN
CCCc1nc2ccc([N+](=O)[O-])cc2c(=O)n1Cc1cccc(C)c1	ZINC000000930666	564053328	/nfs/dbraw/zinc/05/33/28/564053328.db2.gz	JPNTZIRAPMMBOE-UHFFFAOYSA-N	0	0	337.379	3.614	40	5		EHBBRN
COc1cc2c(cc1NC(=O)c1ccc([N+](=O)[O-])cc1)CCCC2	ZINC000001106538	564054382	/nfs/dbraw/zinc/05/43/82/564054382.db2.gz	SQYJTTNFUAXKGZ-UHFFFAOYSA-N	0	0	326.352	3.735	40	5		EHBBRN
Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cccc1[N+](=O)[O-]	ZINC000005921608	564057020	/nfs/dbraw/zinc/05/70/20/564057020.db2.gz	OOGMBTNZNODRTP-UHFFFAOYSA-N	0	0	335.703	3.717	40	5		EHBBRN
COc1ccccc1[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000015967007	564078763	/nfs/dbraw/zinc/07/87/63/564078763.db2.gz	XDQPWNPANWHHDP-JTQLQIEISA-N	0	0	334.759	3.748	40	5		EHBBRN
Cc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2C)c(C)c1	ZINC000006714726	564096292	/nfs/dbraw/zinc/09/62/92/564096292.db2.gz	WCYBLPCVTWEUAQ-UHFFFAOYSA-N	0	0	343.408	3.647	40	5		EHBBRN
Cc1ccc(C(=O)Nc2nnc(SC(C)C)s2)cc1[N+](=O)[O-]	ZINC000007319462	564106594	/nfs/dbraw/zinc/10/65/94/564106594.db2.gz	AUPMAYBKWSGGGJ-UHFFFAOYSA-N	0	0	338.414	3.508	40	5		EHBBRN
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)NCc1cccnc1	ZINC000021595774	564146595	/nfs/dbraw/zinc/14/65/95/564146595.db2.gz	IJLKBHFVYSJLPZ-CSKARUKUSA-N	0	0	349.346	3.579	40	5		EHBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(C(C)C)cc1	ZINC000000516362	209643713	/nfs/dbraw/zinc/64/37/13/209643713.db2.gz	YQJZXIPEYPCSGT-UHFFFAOYSA-N	0	0	344.367	3.744	40	5		EHBBRN
CCc1ccccc1O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000020484474	212136554	/nfs/dbraw/zinc/13/65/54/212136554.db2.gz	HENNLJZARAOHMR-ZDUSSCGKSA-N	0	0	328.368	3.872	40	5		EHBBRN
COc1ccc(Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cn1	ZINC000255189773	244047718	/nfs/dbraw/zinc/04/77/18/244047718.db2.gz	RYAQYMDMCQBVQA-UHFFFAOYSA-N	0	0	328.353	3.866	40	5		EHBBRN
CCOC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl	ZINC000020051084	212098019	/nfs/dbraw/zinc/09/80/19/212098019.db2.gz	VWINAMWLRSYNOS-UHFFFAOYSA-N	0	0	348.742	3.677	40	5		EHBBRN
O=[N+]([O-])c1cccc(CSc2nnc(COc3ccccc3)o2)c1	ZINC000019929066	212085702	/nfs/dbraw/zinc/08/57/02/212085702.db2.gz	HTTOOKBWQPMAFS-UHFFFAOYSA-N	0	0	343.364	3.849	40	5		EHBBRN
Cc1cc2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)[nH]c2cc1C	ZINC000007602774	210818757	/nfs/dbraw/zinc/81/87/57/210818757.db2.gz	XEBHPVBZEQBPNE-UHFFFAOYSA-N	0	0	335.319	3.861	40	5		EHBBRN
Cc1c(NC(=O)c2cc(-c3ccc(F)cc3)on2)cccc1[N+](=O)[O-]	ZINC000123145513	222224112	/nfs/dbraw/zinc/22/41/12/222224112.db2.gz	PJPJFQMYXSBLNC-UHFFFAOYSA-N	0	0	341.298	3.950	40	5		EHBBRN
COc1cc([N+](=O)[O-])cc(Br)c1N1CCCC[C@H]1C	ZINC000045886399	564028734	/nfs/dbraw/zinc/02/87/34/564028734.db2.gz	LWCKFVRWZNFBGU-SECBINFHSA-N	0	0	329.194	3.745	40	5		EHBBRN
O=C(Sc1nnc(-c2ccccc2)o1)c1ccc([N+](=O)[O-])cc1	ZINC000408534442	563425180	/nfs/dbraw/zinc/42/51/80/563425180.db2.gz	VPNIUMMWBILETO-UHFFFAOYSA-N	0	0	327.321	3.577	40	5		EHBBRN
COC(=O)c1cc([N+](=O)[O-])cc2nc(-c3cccc(Cl)c3)oc21	ZINC000073641937	563931026	/nfs/dbraw/zinc/93/10/26/563931026.db2.gz	SJNRTADNSBSFSM-UHFFFAOYSA-N	0	0	332.699	3.843	40	5		EHBBRN
Cc1cccc(CSCCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1	ZINC000408562880	563993461	/nfs/dbraw/zinc/99/34/61/563993461.db2.gz	GJJUTOYYKGQNME-UHFFFAOYSA-N	0	0	344.436	3.875	40	5		EHBBRN
CCCCC[C@@H](C)N(CC(C)(C)O)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000005550808	564005342	/nfs/dbraw/zinc/00/53/42/564005342.db2.gz	YWXWVANIACCZRN-CQSZACIVSA-N	0	0	336.432	3.777	40	5		EHBBRN
CCc1cccc(CC)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000014255594	564021686	/nfs/dbraw/zinc/02/16/86/564021686.db2.gz	FGVYYMXQWUQPOD-UHFFFAOYSA-N	0	0	334.397	3.520	40	5		EHBBRN
Cc1ccc(CSCCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1	ZINC000018202112	564023282	/nfs/dbraw/zinc/02/32/82/564023282.db2.gz	KCGVYJOKGWLLOR-UHFFFAOYSA-N	0	0	344.436	3.875	40	5		EHBBRN
Cc1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)cc1[N+](=O)[O-]	ZINC000006315949	564084429	/nfs/dbraw/zinc/08/44/29/564084429.db2.gz	DHNPJSRTIQOEDY-UHFFFAOYSA-N	0	0	342.376	3.857	40	5		EHBBRN
CCCOCc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC	ZINC000224416440	564090417	/nfs/dbraw/zinc/09/04/17/564090417.db2.gz	NBFJIHOCHDMFOK-UHFFFAOYSA-N	0	0	344.367	3.782	40	5		EHBBRN
COc1ccc(OC)c2c1CC[C@H](c1ccc([N+](=O)[O-])cc1)C2=O	ZINC000169800197	564101195	/nfs/dbraw/zinc/10/11/95/564101195.db2.gz	UBRPWJSPDUTAAC-CYBMUJFWSA-N	0	0	327.336	3.525	40	5		EHBBRN
CC[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(OC)c(C)c1	ZINC000224986309	564124597	/nfs/dbraw/zinc/12/45/97/564124597.db2.gz	UYMKHSJOYRQEJV-MRXNPFEDSA-N	0	0	342.395	3.722	40	5		EHBBRN
CCC(=O)Nc1cc(C(=O)OCc2cccc([N+](=O)[O-])c2)ccc1C	ZINC000006309210	564125839	/nfs/dbraw/zinc/12/58/39/564125839.db2.gz	GFRGAJBAYPWMHY-UHFFFAOYSA-N	0	0	342.351	3.609	40	5		EHBBRN
O=c1oc2ccc([N+](=O)[O-])cc2c(Sc2ccccc2)c1[N+](=O)[O-]	ZINC000003145101	564155455	/nfs/dbraw/zinc/15/54/55/564155455.db2.gz	QKLZETXQWHLJOC-UHFFFAOYSA-N	0	0	344.304	3.761	40	5		EHBBRN
CCCC[C@](CCc1ccc([N+](=O)[O-])cc1)(C(C)=O)C(=O)OCC	ZINC000001666542	209777744	/nfs/dbraw/zinc/77/77/44/209777744.db2.gz	ZURMKJWCGFQHLD-SFHVURJKSA-N	0	0	335.400	3.856	40	5		EHBBRN
CC(C)C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000022525495	212304065	/nfs/dbraw/zinc/30/40/65/212304065.db2.gz	OVHAAQPBKNQHEF-KRWDZBQOSA-N	0	0	348.424	3.661	40	5		EHBBRN
CC(C)CC1(CC(C)C)NC(=S)N(c2ccc([N+](=O)[O-])cc2)N1	ZINC000225349602	241828943	/nfs/dbraw/zinc/82/89/43/241828943.db2.gz	UUWYNPXDKYMYSD-UHFFFAOYSA-N	0	0	336.461	3.582	40	5		EHBBRN
Cc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1[N+](=O)[O-]	ZINC000010428973	211170764	/nfs/dbraw/zinc/17/07/64/211170764.db2.gz	IYKIRHDLJXWEMW-UHFFFAOYSA-N	0	0	325.368	3.756	40	5		EHBBRN
Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000005127083	210394103	/nfs/dbraw/zinc/39/41/03/210394103.db2.gz	NKQPJNOKAPOJSQ-UHFFFAOYSA-N	0	0	340.788	3.666	40	5		EHBBRN
CC(=O)Nc1ccc(OC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000004771278	210274047	/nfs/dbraw/zinc/27/40/47/210274047.db2.gz	HHXPOFPIMAAOQK-UHFFFAOYSA-N	0	0	349.730	3.818	40	5		EHBBRN
COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COC(C)C	ZINC000224428141	536780265	/nfs/dbraw/zinc/78/02/65/536780265.db2.gz	IPDCESRZSWOALQ-UHFFFAOYSA-N	0	0	344.367	3.781	40	5		EHBBRN
CC(=O)Nc1ccc2c(=O)n3c4ccccc4nc3c3cccc1c32	ZINC000003177461	563475716	/nfs/dbraw/zinc/47/57/16/563475716.db2.gz	JOVSHAYEUUTMDL-UHFFFAOYSA-N	0	0	327.343	3.550	40	5		EHBBRN
CC(C)Oc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1	ZINC000013672345	563931705	/nfs/dbraw/zinc/93/17/05/563931705.db2.gz	VOCGDFUJQCXUQP-UHFFFAOYSA-N	0	0	348.786	3.965	40	5		EHBBRN
CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000014258468	563983769	/nfs/dbraw/zinc/98/37/69/563983769.db2.gz	UHPBMELWCLEYTK-UHFFFAOYSA-N	0	0	347.758	3.849	40	5		EHBBRN
O=C(N[C@H](c1ccccc1)c1ccccn1)c1ccc([N+](=O)[O-])cc1	ZINC000000139320	563986916	/nfs/dbraw/zinc/98/69/16/563986916.db2.gz	JZYSGIKMKTXNLY-GOSISDBHSA-N	0	0	333.347	3.509	40	5		EHBBRN
CC(C)(C)c1ccc(Cn2nnc(-c3ccc([N+](=O)[O-])cc3)n2)cc1	ZINC000000303593	563990831	/nfs/dbraw/zinc/99/08/31/563990831.db2.gz	NLSUVGSVLNKVAH-UHFFFAOYSA-N	0	0	337.383	3.594	40	5		EHBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000005547337	564014128	/nfs/dbraw/zinc/01/41/28/564014128.db2.gz	GPYNROZRPXPGSO-UHFFFAOYSA-N	0	0	335.703	3.717	40	5		EHBBRN
Cc1cc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)ccc1[N+](=O)[O-]	ZINC000005559508	564014129	/nfs/dbraw/zinc/01/41/29/564014129.db2.gz	RPNHJFPFQOEZQL-UHFFFAOYSA-N	0	0	342.351	3.721	40	5		EHBBRN
CCc1ccc(NCCc2nc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)cc1	ZINC000062719417	564019011	/nfs/dbraw/zinc/01/90/11/564019011.db2.gz	UIUDTMGLGFTKSJ-UHFFFAOYSA-N	0	0	337.383	3.597	40	5		EHBBRN
CC(C)Oc1ccc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000044904614	564027671	/nfs/dbraw/zinc/02/76/71/564027671.db2.gz	ZQOUWHPCITVQMJ-UHFFFAOYSA-N	0	0	348.786	3.965	40	5		EHBBRN
CC(=O)Nc1ccc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1	ZINC000006014816	564057613	/nfs/dbraw/zinc/05/76/13/564057613.db2.gz	QGFAAZRVTUPHHG-UHFFFAOYSA-N	0	0	330.731	3.750	40	5		EHBBRN
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(Cl)cn1	ZINC000006240329	564083106	/nfs/dbraw/zinc/08/31/06/564083106.db2.gz	ZDVXJADJIGCJFQ-QHHAFSJGSA-N	0	0	338.150	3.949	40	5		EHBBRN
CC[C@@H](C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1SC(=O)N(C)C	ZINC000001737202	564084401	/nfs/dbraw/zinc/08/44/01/564084401.db2.gz	NEHKDFZUCXYFLB-MRVPVSSYSA-N	0	0	327.362	3.790	40	5		EHBBRN
O=C(Sc1nnc(Cc2ccccc2)o1)c1cccc([N+](=O)[O-])c1	ZINC000033411883	564128317	/nfs/dbraw/zinc/12/83/17/564128317.db2.gz	ILTAMSVWDJQJFW-UHFFFAOYSA-N	0	0	341.348	3.501	40	5		EHBBRN
C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000225351249	564134168	/nfs/dbraw/zinc/13/41/68/564134168.db2.gz	SRFXKDBGJDQTSC-CYBMUJFWSA-N	0	0	340.379	3.880	40	5		EHBBRN
O=[N+]([O-])c1ccc(Nc2cc(C3CC3)nc(NC3CCCC3)n2)cc1	ZINC000329047847	564137644	/nfs/dbraw/zinc/13/76/44/564137644.db2.gz	UHUIXJUPBIJGTJ-UHFFFAOYSA-N	0	0	339.399	3.782	40	5		EHBBRN
Cc1nc(Cc2ccccc2)ncc1C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000225794666	564150632	/nfs/dbraw/zinc/15/06/32/564150632.db2.gz	AYMYTCGLBXADTD-UHFFFAOYSA-N	0	0	348.362	3.536	40	5		EHBBRN
O=Cc1c(Cl)n(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1	ZINC000003844431	210079539	/nfs/dbraw/zinc/07/95/39/210079539.db2.gz	NGTKEBPRPHFQMB-UHFFFAOYSA-N	0	0	327.727	3.913	40	5		EHBBRN
C[C@H](CCc1ccccc1)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000003561285	210055849	/nfs/dbraw/zinc/05/58/49/210055849.db2.gz	NYIGBGIUTNFNQO-GFCCVEGCSA-N	0	0	332.787	3.999	40	5		EHBBRN
COc1ccccc1CNc1ncc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000039956765	213245956	/nfs/dbraw/zinc/24/59/56/213245956.db2.gz	VKLVBWWNICZBFV-UHFFFAOYSA-N	0	0	327.262	3.629	40	5		EHBBRN
Cc1cccc(C(=O)Nc2cc(N(C)C)c([N+](=O)[O-])cc2Cl)c1	ZINC000072229116	216070879	/nfs/dbraw/zinc/07/08/79/216070879.db2.gz	PBZQTOWVMUNZFD-UHFFFAOYSA-N	0	0	333.775	3.875	40	5		EHBBRN
CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000010444058	211172721	/nfs/dbraw/zinc/17/27/21/211172721.db2.gz	ASEVBBLYHKRPCT-UHFFFAOYSA-N	0	0	342.351	3.641	40	5		EHBBRN
Cc1c(C(=O)Nc2cccc(NC(=O)C(C)C)c2)cccc1[N+](=O)[O-]	ZINC000009141921	257861888	/nfs/dbraw/zinc/86/18/88/257861888.db2.gz	XCYBQLUDKJVOIL-UHFFFAOYSA-N	0	0	341.367	3.750	40	5		EHBBRN
O=c1c(/C=C/c2nc3ccccc3[nH]2)coc2ccc([N+](=O)[O-])cc12	ZINC000005532419	563537397	/nfs/dbraw/zinc/53/73/97/563537397.db2.gz	GXQVBZHHXKKDQY-VMPITWQZSA-N	0	0	333.303	3.748	40	5		EHBBRN
Cc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1Cl	ZINC000005125293	563994452	/nfs/dbraw/zinc/99/44/52/563994452.db2.gz	WJAOFQPKHSTURO-UHFFFAOYSA-N	0	0	331.803	3.883	40	5		EHBBRN
Cc1ccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc1	ZINC000000422953	563998245	/nfs/dbraw/zinc/99/82/45/563998245.db2.gz	BVRCWSNTUBSZJC-CRAIPNDOSA-N	0	0	339.351	3.673	40	5		EHBBRN
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(C)C2=O)o1	ZINC000408818338	564007419	/nfs/dbraw/zinc/00/74/19/564007419.db2.gz	NUIQZAGSZDCZLI-RIYZIHGNSA-N	0	0	344.348	3.829	40	5		EHBBRN
O=C(Cc1ccccc1[N+](=O)[O-])N1CCC(Cc2ccccc2)CC1	ZINC000005736406	564024598	/nfs/dbraw/zinc/02/45/98/564024598.db2.gz	MCXWMCYFMPUNSB-UHFFFAOYSA-N	0	0	338.407	3.619	40	5		EHBBRN
C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccc([N+](=O)[O-])cc2)S1	ZINC000260766429	564052536	/nfs/dbraw/zinc/05/25/36/564052536.db2.gz	JYRPUDPYJZMDFO-HFBAOOFYSA-N	0	0	340.408	3.579	40	5		EHBBRN
COc1ccc(Oc2c(OC)cc([N+](=O)[O-])c3ncccc32)cc1	ZINC000001561981	564081611	/nfs/dbraw/zinc/08/16/11/564081611.db2.gz	YBKVDWIITXASBT-UHFFFAOYSA-N	0	0	326.308	3.953	40	5		EHBBRN
C[C@](Br)([C@@H](CC(=O)C1CC1)c1ccccc1)[N+](=O)[O-]	ZINC000001691979	564082662	/nfs/dbraw/zinc/08/26/62/564082662.db2.gz	XOEWBAHIMIWKFQ-GXTWGEPZSA-N	0	0	326.190	3.527	40	5		EHBBRN
O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(Cl)c1	ZINC000009062425	564127613	/nfs/dbraw/zinc/12/76/13/564127613.db2.gz	MBODROAWDXPDSV-UHFFFAOYSA-N	0	0	344.714	3.551	40	5		EHBBRN
Cc1cccc(CCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000010110607	564127667	/nfs/dbraw/zinc/12/76/67/564127667.db2.gz	OBCJMWCCMZQZGU-UHFFFAOYSA-N	0	0	332.787	3.919	40	5		EHBBRN
O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(O)cc1	ZINC000059417591	564161218	/nfs/dbraw/zinc/16/12/18/564161218.db2.gz	VUIJSFQJVFYERU-UHFFFAOYSA-N	0	0	346.389	3.885	40	5		EHBBRN
O=C1c2ccccc2N2O[C@]12c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000003844893	210079652	/nfs/dbraw/zinc/07/96/52/210079652.db2.gz	QCTREABLPDLPGL-XPCCGILXSA-N	0	0	337.118	3.703	40	5		EHBBRN
O=C(OC1(c2ccccc2)CCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000001767612	209791085	/nfs/dbraw/zinc/79/10/85/209791085.db2.gz	MFGITMZHASGRQN-UHFFFAOYSA-N	0	0	342.307	3.739	40	5		EHBBRN
CN(C)c1cc(NC(=O)c2ccccc2F)c(Cl)cc1[N+](=O)[O-]	ZINC000072229252	216071224	/nfs/dbraw/zinc/07/12/24/216071224.db2.gz	JEJXFVMGVIOTMZ-UHFFFAOYSA-N	0	0	337.738	3.706	40	5		EHBBRN
C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccc([N+](=O)[O-])c2)S1	ZINC000222561161	241527297	/nfs/dbraw/zinc/52/72/97/241527297.db2.gz	UEHHLGFSRQTRIJ-RLCCDNCMSA-N	0	0	340.408	3.579	40	5		EHBBRN
O=C(Nc1nnc(-c2ccccc2[N+](=O)[O-])o1)c1ccccc1Cl	ZINC000020496217	212140654	/nfs/dbraw/zinc/14/06/54/212140654.db2.gz	DIJCFVLLVLBRNJ-UHFFFAOYSA-N	0	0	344.714	3.551	40	5		EHBBRN
COc1ccccc1CN(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000014869878	211768257	/nfs/dbraw/zinc/76/82/57/211768257.db2.gz	ZRHFBSHVQVPDHW-UHFFFAOYSA-N	0	0	334.759	3.529	40	5		EHBBRN
Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cccc1[N+](=O)[O-]	ZINC000005537079	563537672	/nfs/dbraw/zinc/53/76/72/563537672.db2.gz	JUDOPEFUYFGYQT-UHFFFAOYSA-N	0	0	335.703	3.717	40	5		EHBBRN
CC1(C)C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2O1	ZINC000013669019	563931698	/nfs/dbraw/zinc/93/16/98/563931698.db2.gz	ACVSXHBZVABCIU-HNNXBMFYSA-N	0	0	326.352	3.627	40	5		EHBBRN
CCc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000150055576	563983112	/nfs/dbraw/zinc/98/31/12/563983112.db2.gz	DQJTYMURADEPBD-UHFFFAOYSA-N	0	0	334.759	3.828	40	5		EHBBRN
Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc(Br)o1	ZINC000072228661	563985899	/nfs/dbraw/zinc/98/58/99/563985899.db2.gz	IAIQQRYUBLESTQ-UHFFFAOYSA-N	0	0	339.145	3.819	40	5		EHBBRN
Cc1noc(/C=C/c2cccn2-c2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-]	ZINC000408541669	563993398	/nfs/dbraw/zinc/99/33/98/563993398.db2.gz	FDDLKGZOWWMPFC-BQYQJAHWSA-N	0	0	340.295	3.761	40	5		EHBBRN
CC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc2c(c(C)n1)CCC2	ZINC000408580153	563993453	/nfs/dbraw/zinc/99/34/53/563993453.db2.gz	ANXCFDHHRRRXLB-UHFFFAOYSA-N	0	0	329.381	3.536	40	5		EHBBRN
CCCOc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OC	ZINC000408621513	563993547	/nfs/dbraw/zinc/99/35/47/563993547.db2.gz	OKEGHTBDBHDSSP-UHFFFAOYSA-N	0	0	344.367	3.953	40	5		EHBBRN
Cc1ccc(C2=N/C(=C\c3ccc(Cl)cc3)C(=O)O2)cc1[N+](=O)[O-]	ZINC000005342731	564002775	/nfs/dbraw/zinc/00/27/75/564002775.db2.gz	HGGMNRFOIXYDPE-ZSOIEALJSA-N	0	0	342.738	3.901	40	5		EHBBRN
CC[C@H](C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1SC(=O)N(C)C	ZINC000006002872	564057530	/nfs/dbraw/zinc/05/75/30/564057530.db2.gz	NEHKDFZUCXYFLB-QMMMGPOBSA-N	0	0	327.362	3.790	40	5		EHBBRN
CCc1ccc([C@H](C)NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000223090155	564063112	/nfs/dbraw/zinc/06/31/12/564063112.db2.gz	AHXDGONLLDTDJO-ZDUSSCGKSA-N	0	0	348.424	3.505	40	5		EHBBRN
CCc1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000223434074	564074291	/nfs/dbraw/zinc/07/42/91/564074291.db2.gz	ZMWTWRHEYGHKRH-UHFFFAOYSA-N	0	0	348.786	3.619	40	5		EHBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(Cl)cc1	ZINC000001986167	564090367	/nfs/dbraw/zinc/09/03/67/564090367.db2.gz	HGEUIEMOOXUPKN-RUDMXATFSA-N	0	0	332.743	3.909	40	5		EHBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)CCSCc1ccccc1	ZINC000007685752	564121850	/nfs/dbraw/zinc/12/18/50/564121850.db2.gz	FGPXPZIEVMOPHQ-UHFFFAOYSA-N	0	0	346.408	3.865	40	5		EHBBRN
CCC(=O)Nc1cc(C(=O)OCc2ccccc2[N+](=O)[O-])ccc1C	ZINC000006309212	564125854	/nfs/dbraw/zinc/12/58/54/564125854.db2.gz	DKAKSLPFRIVDMR-UHFFFAOYSA-N	0	0	342.351	3.609	40	5		EHBBRN
COc1ccc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c(C)nc2c1	ZINC000012459881	564127859	/nfs/dbraw/zinc/12/78/59/564127859.db2.gz	SPINHABNLVNDDK-UHFFFAOYSA-N	0	0	337.335	3.712	40	5		EHBBRN
O=[N+]([O-])c1ccc(N2CCC(CCc3ccccc3F)CC2)nc1	ZINC000020353846	564139183	/nfs/dbraw/zinc/13/91/83/564139183.db2.gz	LQIBGHJSNFWKFM-UHFFFAOYSA-N	0	0	329.375	3.978	40	5		EHBBRN
O=C(OCc1nc2cc3ccccc3cc2[nH]1)c1ccc([N+](=O)[O-])cc1	ZINC000003064995	564154880	/nfs/dbraw/zinc/15/48/80/564154880.db2.gz	DSWDIUHDQBQVRH-UHFFFAOYSA-N	0	0	347.330	3.981	40	5		EHBBRN
O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000003499586	564158418	/nfs/dbraw/zinc/15/84/18/564158418.db2.gz	KPFMQMJMCDDVGV-UHFFFAOYSA-N	0	0	336.687	3.513	40	5		EHBBRN
COC(=O)CSc1ncnc2c3cc4ccccc4nc3sc21	ZINC000035313207	213020538	/nfs/dbraw/zinc/02/05/38/213020538.db2.gz	VOIGZGFJWALQJW-UHFFFAOYSA-N	0	0	341.417	3.658	40	5		EHBBRN
COc1ccccc1C(=O)Nc1cc(N(C)C)c([N+](=O)[O-])cc1Cl	ZINC000072229533	216070828	/nfs/dbraw/zinc/07/08/28/216070828.db2.gz	QZBAPTULCBIMCA-UHFFFAOYSA-N	0	0	349.774	3.575	40	5		EHBBRN
O=[N+]([O-])c1cccc2nc(-c3ccccn3)n(CCc3ccccn3)c21	ZINC000013213008	211534891	/nfs/dbraw/zinc/53/48/91/211534891.db2.gz	VLQFGKQCFCPULE-UHFFFAOYSA-N	0	0	345.362	3.644	40	5		EHBBRN
CCOc1ccc([C@@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000010977530	211197148	/nfs/dbraw/zinc/19/71/48/211197148.db2.gz	WBXNJQCKSMZCJW-CYBMUJFWSA-N	0	0	328.368	3.793	40	5		EHBBRN
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCSC1CCCCC1	ZINC000409025140	257881988	/nfs/dbraw/zinc/88/19/88/257881988.db2.gz	MGSVRTDPPYGAAQ-MDZDMXLPSA-N	0	0	334.441	3.790	40	5		EHBBRN
CCc1ccc(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2C)cc1	ZINC000009064167	257862190	/nfs/dbraw/zinc/86/21/90/257862190.db2.gz	UUZNJWNSNMUFNF-UHFFFAOYSA-N	0	0	343.408	3.592	40	5		EHBBRN
COC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccc(Cl)cc3)oc21	ZINC000073641910	563931037	/nfs/dbraw/zinc/93/10/37/563931037.db2.gz	KNWUETRLSQCGAT-UHFFFAOYSA-N	0	0	332.699	3.843	40	5		EHBBRN
CCc1cc([N+](=O)[O-])cc2nc(-c3ccc(OC)c(OC)c3)oc21	ZINC000073642658	563931383	/nfs/dbraw/zinc/93/13/83/563931383.db2.gz	LLPONKRBDXBYKM-UHFFFAOYSA-N	0	0	328.324	3.983	40	5		EHBBRN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(C)C)cc1	ZINC000014396914	563984066	/nfs/dbraw/zinc/98/40/66/563984066.db2.gz	OQKBVRIJHQBYEW-UHFFFAOYSA-N	0	0	334.397	3.827	40	5		EHBBRN
O=C(Sc1nnc(-c2ccccc2)o1)c1cccc([N+](=O)[O-])c1	ZINC000408531996	563993373	/nfs/dbraw/zinc/99/33/73/563993373.db2.gz	PIHYTAPRAGCGKP-UHFFFAOYSA-N	0	0	327.321	3.577	40	5		EHBBRN
Cc1ccc([N+](=O)[O-])cc1N1C(=O)c2cccc3cccc(c32)C1=O	ZINC000005547265	564005182	/nfs/dbraw/zinc/00/51/82/564005182.db2.gz	YNNWQEKFFQQPSS-UHFFFAOYSA-N	0	0	332.315	3.857	40	5		EHBBRN
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCc1ccc(Cl)cc1	ZINC000015303062	564060578	/nfs/dbraw/zinc/06/05/78/564060578.db2.gz	HSEQRXGMEWTGAS-BJMVGYQFSA-N	0	0	330.771	3.620	40	5		EHBBRN
Cc1c(NC(=O)COc2cccc3c2CCCC3)cccc1[N+](=O)[O-]	ZINC000223171980	564063876	/nfs/dbraw/zinc/06/38/76/564063876.db2.gz	SQDFRZRBXMOZJJ-UHFFFAOYSA-N	0	0	340.379	3.800	40	5		EHBBRN
CN(C)C(=O)c1cccc(COc2ccc([N+](=O)[O-])cc2Cl)c1	ZINC000001728964	564082899	/nfs/dbraw/zinc/08/28/99/564082899.db2.gz	RCBUNUKSIYUNBI-UHFFFAOYSA-N	0	0	334.759	3.529	40	5		EHBBRN
C[C@@H]1Cc2ccccc2N1C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000007093524	564104853	/nfs/dbraw/zinc/10/48/53/564104853.db2.gz	BNJFWXZKNYEYPK-CYBMUJFWSA-N	0	0	342.420	3.806	40	5		EHBBRN
O=C(OCc1ccccc1[N+](=O)[O-])c1cc([N+](=O)[O-])ccc1Cl	ZINC000005850945	564125741	/nfs/dbraw/zinc/12/57/41/564125741.db2.gz	OPLOGYAQUWWIHF-UHFFFAOYSA-N	0	0	336.687	3.513	40	5		EHBBRN
O=[N+]([O-])c1ccc(Cl)cc1Nc1cc(Cl)nc(CC2CC2)n1	ZINC000329057796	564137617	/nfs/dbraw/zinc/13/76/17/564137617.db2.gz	VZLAHJNDGFGTCV-UHFFFAOYSA-N	0	0	339.182	3.810	40	5		EHBBRN
O=[N+]([O-])[C@H]1CC=CC[C@@H]1c1ccc([C@@H]2CC=CC[C@@H]2[N+](=O)[O-])cc1	ZINC000018128947	1128699745	/nfs/dbraw/zinc/69/97/45/1128699745.db2.gz	SOGIRRBNOPURMC-MHORFTMASA-N	0	0	328.368	3.844	40	5		EHBBRN
COc1ccccc1[C@@H]1Oc2nc3cc([N+](=O)[O-])ccc3nc2C1O	ZINC000100368218	219097837	/nfs/dbraw/zinc/09/78/37/219097837.db2.gz	YXHCDRWQVOCBMU-INIZCTEOSA-N	0	0	339.307	3.600	40	5		EHBBRN
O=C1c2ccccc2N2O[C@@]12c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000003844894	210079632	/nfs/dbraw/zinc/07/96/32/210079632.db2.gz	QCTREABLPDLPGL-MBIQTGHCSA-N	0	0	337.118	3.703	40	5		EHBBRN
O=[N+]([O-])c1cc(-c2n[nH]c(COc3ccc(F)cc3)n2)ccc1Cl	ZINC000040169685	213277970	/nfs/dbraw/zinc/27/79/70/213277970.db2.gz	RNMOSWKBUIDYLQ-UHFFFAOYSA-N	0	0	348.721	3.751	40	5		EHBBRN
O=C1S/C(=C/c2cccs2)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000206971411	241058899	/nfs/dbraw/zinc/05/88/99/241058899.db2.gz	IRRRWCQTYBULNB-MDWZMJQESA-N	0	0	346.389	3.893	40	5		EHBBRN
CC[C@@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(OC)cc1	ZINC000021837189	212255518	/nfs/dbraw/zinc/25/55/18/212255518.db2.gz	KEHHIYBVUTZTPP-MRXNPFEDSA-N	0	0	328.368	3.793	40	5		EHBBRN
COc1ccc(C)cc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000225991262	242082593	/nfs/dbraw/zinc/08/25/93/242082593.db2.gz	IBTHFRAUQMCQPW-UHFFFAOYSA-N	0	0	326.352	3.582	40	5		EHBBRN
Cc1cc(C)cc(-n2ccc3c(cnc4nc5ccccc5n43)c2=O)c1	ZINC000019959406	212090812	/nfs/dbraw/zinc/09/08/12/212090812.db2.gz	NZMYOFONCWPIEJ-UHFFFAOYSA-N	0	0	340.386	3.803	40	5		EHBBRN
Cc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c(Br)c1	ZINC000015316193	211814139	/nfs/dbraw/zinc/81/41/39/211814139.db2.gz	WYGBOHQGELZYSJ-UHFFFAOYSA-N	0	0	349.184	3.847	40	5		EHBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1cc(C)ccc1C	ZINC000013710595	211617974	/nfs/dbraw/zinc/61/79/74/211617974.db2.gz	NYGBRQXWXYGBEQ-ZDUSSCGKSA-N	0	0	344.367	3.626	40	5		EHBBRN
Cc1c(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cccc1[N+](=O)[O-]	ZINC000010542962	211180154	/nfs/dbraw/zinc/18/01/54/211180154.db2.gz	IORDIQKKNAKNAX-HNNXBMFYSA-N	0	0	340.379	3.935	40	5		EHBBRN
O=C(Nc1ccccc1)Nc1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000006475599	210637682	/nfs/dbraw/zinc/63/76/82/210637682.db2.gz	VVROSLYGIXIDGO-UHFFFAOYSA-N	0	0	336.691	3.800	40	5		EHBBRN
CN1C(=O)S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O	ZINC000408811238	257888158	/nfs/dbraw/zinc/88/81/58/257888158.db2.gz	AFSQCSORNUYPBE-JYRVWZFOSA-N	0	0	330.321	3.521	40	5		EHBBRN
COc1ccc(Cl)cc1C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1	ZINC000014258201	563983779	/nfs/dbraw/zinc/98/37/79/563983779.db2.gz	TYPUYZWWFXMGIP-UHFFFAOYSA-N	0	0	336.731	3.518	40	5		EHBBRN
COc1c(C(=O)NC2CCCCC2)cc(C(C)(C)C)cc1[N+](=O)[O-]	ZINC000072206610	563984350	/nfs/dbraw/zinc/98/43/50/563984350.db2.gz	YVRHGYVYNQZXHR-UHFFFAOYSA-N	0	0	334.416	3.963	40	5		EHBBRN
COc1ccc(OCCNc2nc3ccc([N+](=O)[O-])cc3s2)cc1	ZINC000005527040	564005005	/nfs/dbraw/zinc/00/50/05/564005005.db2.gz	CJTVGIUYWJUBCC-UHFFFAOYSA-N	0	0	345.380	3.704	40	5		EHBBRN
CCCNC(=S)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1	ZINC000408976226	564008522	/nfs/dbraw/zinc/00/85/22/564008522.db2.gz	PWOUDEIDDQJWDL-UHFFFAOYSA-N	0	0	335.436	3.961	40	5		EHBBRN
Cc1cc(Br)ccc1NC(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000005680091	564017675	/nfs/dbraw/zinc/01/76/75/564017675.db2.gz	CTPWLMXOJYHTSM-UHFFFAOYSA-N	0	0	349.184	3.847	40	5		EHBBRN
C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc([N+](=O)[O-])cc2)S1	ZINC000222561440	564054168	/nfs/dbraw/zinc/05/41/68/564054168.db2.gz	JYRPUDPYJZMDFO-RLCCDNCMSA-N	0	0	340.408	3.579	40	5		EHBBRN
C[C@@H](CNC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000223407984	564074045	/nfs/dbraw/zinc/07/40/45/564074045.db2.gz	YKIUGTFTZLVPNZ-AWEZNQCLSA-N	0	0	344.436	3.748	40	5		EHBBRN
CCc1ccc(N(CC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000224775581	564119182	/nfs/dbraw/zinc/11/91/82/564119182.db2.gz	QDDADMMCVIENJO-UHFFFAOYSA-N	0	0	348.424	3.681	40	5		EHBBRN
CCN(c1c(C)cccc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000225070437	564125365	/nfs/dbraw/zinc/12/53/65/564125365.db2.gz	TTXRWUACUXQLHM-UHFFFAOYSA-N	0	0	348.424	3.735	40	5		EHBBRN
O=[N+]([O-])c1cccc(COc2ccc(C(=S)N3CCCC3)cc2)c1	ZINC000107588638	564128700	/nfs/dbraw/zinc/12/87/00/564128700.db2.gz	UUASKRUGKHVCNW-UHFFFAOYSA-N	0	0	342.420	3.945	40	5		EHBBRN
COC(=O)c1ccc(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1	ZINC000003555984	564158907	/nfs/dbraw/zinc/15/89/07/564158907.db2.gz	YKNUGGQSTUVOQV-UHFFFAOYSA-N	0	0	348.742	3.596	40	5		EHBBRN
COc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000059351876	564161136	/nfs/dbraw/zinc/16/11/36/564161136.db2.gz	REPTZDCBDLLBAW-SNVBAGLBSA-N	0	0	334.759	3.748	40	5		EHBBRN
CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000055675427	214337973	/nfs/dbraw/zinc/33/79/73/214337973.db2.gz	AHKFFZPUYFQINL-UHFFFAOYSA-N	0	0	348.424	3.735	40	5		EHBBRN
CCc1ccccc1O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C	ZINC000216298142	241180789	/nfs/dbraw/zinc/18/07/89/241180789.db2.gz	RPEOHMHYNDAPSV-CYBMUJFWSA-N	0	0	328.368	3.872	40	5		EHBBRN
CCN(c1ccc(C)cc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000225069729	241792889	/nfs/dbraw/zinc/79/28/89/241792889.db2.gz	CGNCMKVKTHMACI-UHFFFAOYSA-N	0	0	348.424	3.735	40	5		EHBBRN
O=[N+]([O-])c1ccc(-c2n[nH]c(COc3ccc(Cl)cc3)n2)cc1	ZINC000005997163	210572740	/nfs/dbraw/zinc/57/27/40/210572740.db2.gz	OIWYIMJSQBQVLB-UHFFFAOYSA-N	0	0	330.731	3.612	40	5		EHBBRN
Cc1ccc(-c2nnc(SC(=O)c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000408599511	257894584	/nfs/dbraw/zinc/89/45/84/257894584.db2.gz	IEOGFWZPNOINME-UHFFFAOYSA-N	0	0	341.348	3.886	40	5		EHBBRN
CCCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC	ZINC000408620177	563993541	/nfs/dbraw/zinc/99/35/41/563993541.db2.gz	KUIJZOGMVCCCPW-UHFFFAOYSA-N	0	0	344.367	3.953	40	5		EHBBRN
COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OC	ZINC000005514203	564004882	/nfs/dbraw/zinc/00/48/82/564004882.db2.gz	ITAPFQSLBOAJPU-UHFFFAOYSA-N	0	0	336.731	3.518	40	5		EHBBRN
O=C(NCc1ccco1)c1ccc2[nH]c3nc4ccccc4nc3c2c1	ZINC000408975446	564008500	/nfs/dbraw/zinc/00/85/00/564008500.db2.gz	KKXQVIIHXAYAHD-UHFFFAOYSA-N	0	0	342.358	3.787	40	5		EHBBRN
COc1cccc(OC)c1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000000559998	564022841	/nfs/dbraw/zinc/02/28/41/564022841.db2.gz	MWLXJQVECWPERE-UHFFFAOYSA-N	0	0	336.731	3.518	40	5		EHBBRN
COc1ccc2c3nccc4c5ccccc5n(c43)c(=O)c2c1OC	ZINC000006623672	564033280	/nfs/dbraw/zinc/03/32/80/564033280.db2.gz	VCZWJHZKXTWTDK-UHFFFAOYSA-N	0	0	330.343	3.609	40	5	biogenic	EHBBRN
CC(=O)Nc1ccc(NC(=O)c2coc3ccc([N+](=O)[O-])cc23)cc1	ZINC000140508281	564062888	/nfs/dbraw/zinc/06/28/88/564062888.db2.gz	SIASPMZMYUDYPR-UHFFFAOYSA-N	0	0	339.307	3.552	40	5		EHBBRN
O=[N+]([O-])c1ccc(Sc2nnc(-c3ccc(Cl)cc3)o2)nc1	ZINC000000581920	564078346	/nfs/dbraw/zinc/07/83/46/564078346.db2.gz	GHHRBBPEQCKGDJ-UHFFFAOYSA-N	0	0	334.744	3.844	40	5		EHBBRN
Cc1ccc(OCCNC(=O)c2cccc([N+](=O)[O-])c2C)cc1Cl	ZINC000224116398	564087391	/nfs/dbraw/zinc/08/73/91/564087391.db2.gz	VHAVQFKXMCGESX-UHFFFAOYSA-N	0	0	348.786	3.674	40	5		EHBBRN
COc1ccc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc1OC	ZINC000035929975	564092207	/nfs/dbraw/zinc/09/22/07/564092207.db2.gz	XKFRLOQNUVIGCC-HNNXBMFYSA-N	0	0	326.352	3.594	40	5		EHBBRN
CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000224754809	564118921	/nfs/dbraw/zinc/11/89/21/564118921.db2.gz	GEFPPTSTPGCSNO-UHFFFAOYSA-N	0	0	348.424	3.735	40	5		EHBBRN
CCCCOc1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1	ZINC000003204652	564155921	/nfs/dbraw/zinc/15/59/21/564155921.db2.gz	MSVRQXYKDSYWER-UHFFFAOYSA-N	0	0	340.335	3.574	40	5		EHBBRN
COc1ccccc1[C@H]1Oc2nc3cc([N+](=O)[O-])ccc3nc2C1O	ZINC000100368217	219097761	/nfs/dbraw/zinc/09/77/61/219097761.db2.gz	YXHCDRWQVOCBMU-MRXNPFEDSA-N	0	0	339.307	3.600	40	5		EHBBRN
O=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(O)c1	ZINC000004266412	210155756	/nfs/dbraw/zinc/15/57/56/210155756.db2.gz	RNWUWDOXMDRLMC-UHFFFAOYSA-N	0	0	327.214	3.924	40	5		EHBBRN
Cc1ccc(C)c2[nH]c(=O)c(CNc3ccc([N+](=O)[O-])cc3C)cc12	ZINC000004126348	210128092	/nfs/dbraw/zinc/12/80/92/210128092.db2.gz	FBXWZMXUHHUMNR-UHFFFAOYSA-N	0	0	337.379	3.974	40	5		EHBBRN
CC(C)(C)OC(=O)N1CCC(Oc2c(F)cccc2[N+](=O)[O-])CC1	ZINC000067800671	215214814	/nfs/dbraw/zinc/21/48/14/215214814.db2.gz	QZZBMUKXSQHLNM-UHFFFAOYSA-N	0	0	340.351	3.512	40	5		EHBBRN
Cc1cc(C(=O)NCCCc2ccc(Cl)cc2)ccc1[N+](=O)[O-]	ZINC000013669537	211602663	/nfs/dbraw/zinc/60/26/63/211602663.db2.gz	RAOJBAUJBZLJOY-UHFFFAOYSA-N	0	0	332.787	3.919	40	5		EHBBRN
O=C(NCCOc1cccc2ccccc21)c1ccc([N+](=O)[O-])cc1	ZINC000005876619	210552993	/nfs/dbraw/zinc/55/29/93/210552993.db2.gz	LBOMBALERXBHKX-UHFFFAOYSA-N	0	0	336.347	3.557	40	5		EHBBRN
COc1cccc(OCCNc2nc3ccc([N+](=O)[O-])cc3s2)c1	ZINC000059461247	257850129	/nfs/dbraw/zinc/85/01/29/257850129.db2.gz	CTSIQRIXTWMMQQ-UHFFFAOYSA-N	0	0	345.380	3.704	40	5		EHBBRN
CC1CCN(c2c3sc(N)nc3c(Cl)cc2[N+](=O)[O-])CC1	ZINC000045891371	564028778	/nfs/dbraw/zinc/02/87/78/564028778.db2.gz	YGMQZQOCPBFQFM-UHFFFAOYSA-N	0	0	326.809	3.676	40	5		EHBBRN
Cc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)c1	ZINC000016285031	563807772	/nfs/dbraw/zinc/80/77/72/563807772.db2.gz	AQJHVSNOARFESH-UHFFFAOYSA-N	0	0	334.759	3.883	40	5		EHBBRN
Cc1ccc(C)c([C@@H](C)NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000013631841	563930843	/nfs/dbraw/zinc/93/08/43/563930843.db2.gz	DNAZBQUXANOOHF-CQSZACIVSA-N	0	0	348.424	3.560	40	5		EHBBRN
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(Br)cc1	ZINC000005717257	564020697	/nfs/dbraw/zinc/02/06/97/564020697.db2.gz	LRQNMQBQRHFZFA-UHFFFAOYSA-N	0	0	335.157	3.539	40	5		EHBBRN
C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1	ZINC000014268893	564021932	/nfs/dbraw/zinc/02/19/32/564021932.db2.gz	PKLMTSBHTMMQGG-LBPRGKRZSA-N	0	0	329.356	3.819	40	5		EHBBRN
O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccc([N+](=O)[O-])cc1	ZINC000000430871	564036710	/nfs/dbraw/zinc/03/67/10/564036710.db2.gz	NQKNUQVCYJXKBO-ZROIWOOFSA-N	0	0	328.711	3.593	40	5		EHBBRN
COc1c(O)ccc(C=Cc2cc(=O)c3ccccc3[nH]2)c1[N+](=O)[O-]	ZINC000261362462	564056088	/nfs/dbraw/zinc/05/60/88/564056088.db2.gz	DDDUQESOPYCJCR-SOFGYWHQSA-N	0	0	338.319	3.733	40	5		EHBBRN
O=C1CS[C@@H](c2c[nH]c3ccccc32)N1c1cccc([N+](=O)[O-])c1	ZINC000001634737	564081897	/nfs/dbraw/zinc/08/18/97/564081897.db2.gz	HPHIAJHRALEFTL-KRWDZBQOSA-N	0	0	339.376	3.855	40	5		EHBBRN
CC[C@@H](NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)cc1	ZINC000007308865	564106598	/nfs/dbraw/zinc/10/65/98/564106598.db2.gz	QACKCQOTULYLCX-MRXNPFEDSA-N	0	0	348.424	3.641	40	5		EHBBRN
CC(C)[C@H]1CC[C@@H](C)[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000003845745	564159493	/nfs/dbraw/zinc/15/94/93/564159493.db2.gz	LTRDGCCRAMQMOX-DAXOMENPSA-N	0	0	333.384	3.639	40	5		EHBBRN
Cc1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C)c1	ZINC000008062750	564162457	/nfs/dbraw/zinc/16/24/57/564162457.db2.gz	KRVWKIPWTLMJBE-UHFFFAOYSA-N	0	0	348.786	3.674	40	5		EHBBRN
O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1F	ZINC000000052502	209391372	/nfs/dbraw/zinc/39/13/72/209391372.db2.gz	OSEABOSGHXBAQY-UHFFFAOYSA-N	0	0	344.327	3.505	40	5		EHBBRN
Cc1ccc([C@@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C)c1	ZINC000022522655	212304751	/nfs/dbraw/zinc/30/47/51/212304751.db2.gz	MOQUZUWQKXOZBM-CQSZACIVSA-N	0	0	348.424	3.560	40	5		EHBBRN
O=[N+]([O-])c1ccc(-c2noc(-c3occc3Br)n2)cc1	ZINC000216669045	241204851	/nfs/dbraw/zinc/20/48/51/241204851.db2.gz	NGBFQPHAEMDFSE-UHFFFAOYSA-N	0	0	336.101	3.667	40	5		EHBBRN
COc1cc2c(cc1NC(=O)c1ccccc1[N+](=O)[O-])CCCC2	ZINC000408927252	257886112	/nfs/dbraw/zinc/88/61/12/257886112.db2.gz	OZOXXUMEKRGEKP-UHFFFAOYSA-N	0	0	326.352	3.735	40	5		EHBBRN
CC1(C)C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2O1	ZINC000013647295	563931256	/nfs/dbraw/zinc/93/12/56/563931256.db2.gz	PFEKGARDJLUXDT-OAHLLOKOSA-N	0	0	326.352	3.627	40	5		EHBBRN
Cc1c(C(=O)NCc2cccc(OC(C)C)c2)cccc1[N+](=O)[O-]	ZINC000013669482	563931690	/nfs/dbraw/zinc/93/16/90/563931690.db2.gz	MPLQNPKBBDUHMI-UHFFFAOYSA-N	0	0	328.368	3.620	40	5		EHBBRN
CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1Cl	ZINC000000245418	563989141	/nfs/dbraw/zinc/98/91/41/563989141.db2.gz	KOWVVVNODPPTCI-KRWDZBQOSA-N	0	0	343.770	3.946	40	5		EHBBRN
Cc1ccccc1O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000033624549	563993583	/nfs/dbraw/zinc/99/35/83/563993583.db2.gz	ZRPSNVQJPRPANB-LLVKDONJSA-N	0	0	334.759	3.963	40	5		EHBBRN
CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000408705677	563993671	/nfs/dbraw/zinc/99/36/71/563993671.db2.gz	LECFMUCKTOPJCE-QGZVFWFLSA-N	0	0	344.367	3.708	40	5		EHBBRN
CC[C@@H](Oc1ccccc1OC)C(=O)Nc1cc([N+](=O)[O-])ccc1C	ZINC000008041697	563995506	/nfs/dbraw/zinc/99/55/06/563995506.db2.gz	QWKAHUQCRTYYGC-OAHLLOKOSA-N	0	0	344.367	3.708	40	5		EHBBRN
Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1[N+](=O)[O-]	ZINC000005547424	564005172	/nfs/dbraw/zinc/00/51/72/564005172.db2.gz	JBIJCUVAGDKJEH-UHFFFAOYSA-N	0	0	335.703	3.717	40	5		EHBBRN
Cc1cc(C)cc(NCCc2nc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)c1	ZINC000062719035	564019022	/nfs/dbraw/zinc/01/90/22/564019022.db2.gz	LBEUSAVJSSQFEM-UHFFFAOYSA-N	0	0	337.383	3.651	40	5		EHBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1cccc(Cl)c1	ZINC000000579675	564023569	/nfs/dbraw/zinc/02/35/69/564023569.db2.gz	RHLUPSXSXZLJJY-NSHDSACASA-N	0	0	334.759	3.963	40	5		EHBBRN
C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccccc2[N+](=O)[O-])S1	ZINC000260758970	564052498	/nfs/dbraw/zinc/05/24/98/564052498.db2.gz	DRGKMQAIXPBART-XFBWCDHKSA-N	0	0	340.408	3.579	40	5		EHBBRN
CCCSc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2C)s1	ZINC000007319444	564106625	/nfs/dbraw/zinc/10/66/25/564106625.db2.gz	QDSLOHCVCNWGQG-UHFFFAOYSA-N	0	0	338.414	3.509	40	5		EHBBRN
Cc1ccc(C)n1N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000008475538	564127385	/nfs/dbraw/zinc/12/73/85/564127385.db2.gz	MEGYYEPSMXJVLR-UHFFFAOYSA-N	0	0	349.390	3.992	40	5		EHBBRN
CCCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC	ZINC000010038593	564127685	/nfs/dbraw/zinc/12/76/85/564127685.db2.gz	IAVGIISRDIKYJS-UHFFFAOYSA-N	0	0	330.340	3.645	40	5		EHBBRN
Cc1c(Nc2cc(Cl)nc(C(F)(F)F)n2)cccc1[N+](=O)[O-]	ZINC000329063341	564137640	/nfs/dbraw/zinc/13/76/40/564137640.db2.gz	XCXYRKXBUNVTPE-UHFFFAOYSA-N	0	0	332.669	3.531	40	5		EHBBRN
Cc1c(Nc2cc(C3CC3)nc(NC(C)(C)C)n2)cccc1[N+](=O)[O-]	ZINC000329068713	564137669	/nfs/dbraw/zinc/13/76/69/564137669.db2.gz	YSKHAWSKYKHNSZ-UHFFFAOYSA-N	0	0	341.415	3.947	40	5		EHBBRN
CC(C)(C)CC(C)(C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O	ZINC000002707881	564152183	/nfs/dbraw/zinc/15/21/83/564152183.db2.gz	IHMIRQXSCLYLQU-UHFFFAOYSA-N	0	0	346.383	3.646	40	5		EHBBRN
O=[N+]([O-])c1c2nsnc2ccc1N1CC[C@H](c2ccccc2)C1	ZINC000004257249	210154413	/nfs/dbraw/zinc/15/44/13/210154413.db2.gz	ZCXSTXYTRRPAPG-LBPRGKRZSA-N	0	0	326.381	3.593	40	5		EHBBRN
COc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1C	ZINC000225188907	241807391	/nfs/dbraw/zinc/80/73/91/241807391.db2.gz	SVALABRMLDOMSM-UHFFFAOYSA-N	0	0	334.759	3.746	40	5		EHBBRN
COc1ccc(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	ZINC000020493807	212139996	/nfs/dbraw/zinc/13/99/96/212139996.db2.gz	FQFXJKCYLLCHPT-LLVKDONJSA-N	0	0	332.381	3.723	40	5		EHBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Cl)ccc1OC	ZINC000005360942	210448764	/nfs/dbraw/zinc/44/87/64/210448764.db2.gz	LAONUPQDYGBWQJ-UHFFFAOYSA-N	0	0	336.731	3.518	40	5		EHBBRN
COc1cc(NC(=O)CSc2ccc(C)cc2)ccc1[N+](=O)[O-]	ZINC000408557217	257897282	/nfs/dbraw/zinc/89/72/82/257897282.db2.gz	NRTYSMUSQILDST-UHFFFAOYSA-N	0	0	332.381	3.643	40	5		EHBBRN
CCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000010448498	257860493	/nfs/dbraw/zinc/86/04/93/257860493.db2.gz	XQOAPWNWLUSJKN-UHFFFAOYSA-N	0	0	334.759	3.577	40	5		EHBBRN
COc1ccc(NC(=O)c2cccc(OC(C)C)c2)cc1[N+](=O)[O-]	ZINC000009141588	257861812	/nfs/dbraw/zinc/86/18/12/257861812.db2.gz	UUZBWFZOSZBRSB-UHFFFAOYSA-N	0	0	330.340	3.643	40	5		EHBBRN
Cc1cc(C)cc(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1	ZINC000008480825	257863400	/nfs/dbraw/zinc/86/34/00/257863400.db2.gz	BEBZRWDYCLQKMT-CQSZACIVSA-N	0	0	328.368	3.926	40	5		EHBBRN
COc1ccc2[nH]c(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2c1	ZINC000408557552	563476018	/nfs/dbraw/zinc/47/60/18/563476018.db2.gz	OQHPCOHRBLQQRI-UHFFFAOYSA-N	0	0	346.324	3.539	40	5		EHBBRN
CC1(C)C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2O1	ZINC000013647297	563931273	/nfs/dbraw/zinc/93/12/73/563931273.db2.gz	PFEKGARDJLUXDT-HNNXBMFYSA-N	0	0	326.352	3.627	40	5		EHBBRN
Cc1cc(Nc2nc3ccccc3nc2Cl)c([N+](=O)[O-])cc1C	ZINC000408758255	563963347	/nfs/dbraw/zinc/96/33/47/563963347.db2.gz	XOEANMDRUFZZRD-UHFFFAOYSA-N	0	0	328.759	3.974	40	5		EHBBRN
COc1c(C(=O)N2CCC(C)CC2)cc(C(C)(C)C)cc1[N+](=O)[O-]	ZINC000072206638	563984347	/nfs/dbraw/zinc/98/43/47/563984347.db2.gz	YEDSFUAOPPHDBW-UHFFFAOYSA-N	0	0	334.416	3.773	40	5		EHBBRN
Cc1ccc(OCC(=O)Nc2c(C)cc([N+](=O)[O-])cc2C)cc1C	ZINC000072228812	563985918	/nfs/dbraw/zinc/98/59/18/563985918.db2.gz	NFGDYKUBRNNYHW-UHFFFAOYSA-N	0	0	328.368	3.846	40	5		EHBBRN
O=C(Cc1ccc([N+](=O)[O-])cc1)Sc1nnc(-c2ccccc2)o1	ZINC000408527732	563993183	/nfs/dbraw/zinc/99/31/83/563993183.db2.gz	GHBZNJPEZQWTJQ-UHFFFAOYSA-N	0	0	341.348	3.506	40	5		EHBBRN
Cc1cc(C)cc(NCCc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1	ZINC000062719032	564018975	/nfs/dbraw/zinc/01/89/75/564018975.db2.gz	IZVRISLYVLJUEL-UHFFFAOYSA-N	0	0	337.383	3.651	40	5		EHBBRN
O=[N+]([O-])c1ccc(-c2n[nH]c(CCNc3ccc(Cl)cc3)n2)cc1	ZINC000062719069	564018987	/nfs/dbraw/zinc/01/89/87/564018987.db2.gz	PYKHLINLIMENJL-UHFFFAOYSA-N	0	0	343.774	3.688	40	5		EHBBRN
Cc1cc(C)c([C@@H](C)NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1C	ZINC000223429077	564074218	/nfs/dbraw/zinc/07/42/18/564074218.db2.gz	DDMKJKZDHNSFGG-CQSZACIVSA-N	0	0	348.424	3.560	40	5		EHBBRN
Nc1ccc(C(=O)Nc2ccc(Nc3cc[nH+]cc3)cc2)c([N+](=O)[O-])c1	ZINC000001736291	564084379	/nfs/dbraw/zinc/08/43/79/564084379.db2.gz	HTLGTFHGXSSHCJ-UHFFFAOYSA-N	0	0	349.350	3.568	40	5		EHBBRN
Cc1cccc(Cl)c1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000001738740	564084421	/nfs/dbraw/zinc/08/44/21/564084421.db2.gz	IPDAXQWIOKMKCG-UHFFFAOYSA-N	0	0	335.703	3.717	40	5		EHBBRN
Cc1cc(Cl)ccc1NC(=O)CSc1ccc([N+](=O)[O-])cn1	ZINC000192682327	564092732	/nfs/dbraw/zinc/09/27/32/564092732.db2.gz	UCMHQNMUAJKRGE-UHFFFAOYSA-N	0	0	337.788	3.682	40	5		EHBBRN
Cc1ccccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000006614674	564094497	/nfs/dbraw/zinc/09/44/97/564094497.db2.gz	KIZKIZPXGJLWGG-UHFFFAOYSA-N	0	0	325.368	3.756	40	5		EHBBRN
Cc1ccc(CCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000010110397	564127665	/nfs/dbraw/zinc/12/76/65/564127665.db2.gz	XGAXBESLPMVMRI-UHFFFAOYSA-N	0	0	332.787	3.919	40	5		EHBBRN
Cc1ccc(NC(=O)c2coc3ccc([N+](=O)[O-])cc23)cc1[N+](=O)[O-]	ZINC000165709164	564128802	/nfs/dbraw/zinc/12/88/02/564128802.db2.gz	SBEOEUOEKRCDIK-UHFFFAOYSA-N	0	0	341.279	3.810	40	5		EHBBRN
CC(C)(Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000225153396	564130698	/nfs/dbraw/zinc/13/06/98/564130698.db2.gz	CHKIPGGHFXUADM-UHFFFAOYSA-N	0	0	332.787	3.999	40	5		EHBBRN
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccccc1[N+](=O)[O-]	ZINC000009141751	564134250	/nfs/dbraw/zinc/13/42/50/564134250.db2.gz	ITJPIMCNBMWYPQ-UHFFFAOYSA-N	0	0	335.703	3.717	40	5		EHBBRN
O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1ccccc1[N+](=O)[O-]	ZINC000021577086	568418307	/nfs/dbraw/zinc/41/83/07/568418307.db2.gz	VBUWYNMMJWQYQU-UHFFFAOYSA-N	0	0	343.358	3.977	40	5		EHBBRN
Cc1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cccc1[N+](=O)[O-]	ZINC000014006963	1037737299	/nfs/dbraw/zinc/73/72/99/1037737299.db2.gz	NKCKCGLDOWBYJJ-NSHDSACASA-N	0	0	334.759	3.963	40	5		EHBBRN
Cc1ccc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)[nH]2)cc1	ZINC000226299765	1120292166	/nfs/dbraw/zinc/29/21/66/1120292166.db2.gz	TUVVGYZQZLZWCK-UHFFFAOYSA-N	0	0	340.408	3.904	40	5		EHBBRN
COc1ccc(-n2cc3c(=O)nccc-3c3ccccc32)cc1OC	ZINC000001710677	209784701	/nfs/dbraw/zinc/78/47/01/209784701.db2.gz	OWAVOYPOZCUWDT-UHFFFAOYSA-N	0	0	332.359	3.508	40	5		EHBBRN
O=C(NCCSC1CCCC1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000073582740	216396953	/nfs/dbraw/zinc/39/69/53/216396953.db2.gz	QXWBQMNDGQSPHH-UHFFFAOYSA-N	0	0	328.821	3.654	40	5		EHBBRN
O=C(NCCSC1CCCC1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000073582750	216397204	/nfs/dbraw/zinc/39/72/04/216397204.db2.gz	OFIVSBDJJFHNSA-UHFFFAOYSA-N	0	0	328.821	3.654	40	5		EHBBRN
COc1cc(OCC(=O)Nc2ccc(C(C)C)cc2)ccc1[N+](=O)[O-]	ZINC000022259339	212285715	/nfs/dbraw/zinc/28/57/15/212285715.db2.gz	LMTNOXUEGSOLCX-UHFFFAOYSA-N	0	0	344.367	3.744	40	5		EHBBRN
C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccc([N+](=O)[O-])c2)S1	ZINC000222561227	241527814	/nfs/dbraw/zinc/52/78/14/241527814.db2.gz	UEHHLGFSRQTRIJ-UVBJJODRSA-N	0	0	340.408	3.579	40	5		EHBBRN
CCc1ccc(O[C@@H](CC)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	ZINC000222880611	241571641	/nfs/dbraw/zinc/57/16/41/241571641.db2.gz	UCWYRBJXTHJRHQ-KRWDZBQOSA-N	0	0	328.368	3.953	40	5		EHBBRN
CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC)c(C)c1	ZINC000225824807	242052038	/nfs/dbraw/zinc/05/20/38/242052038.db2.gz	JCNCGNNMHPEWPC-MRXNPFEDSA-N	0	0	328.368	3.793	40	5		EHBBRN
COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)cc1Cl	ZINC000225991289	242082695	/nfs/dbraw/zinc/08/26/95/242082695.db2.gz	LXGJBIUXPGVXQU-UHFFFAOYSA-N	0	0	346.770	3.927	40	5		EHBBRN
CC[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(OC)cc1	ZINC000020491983	212139660	/nfs/dbraw/zinc/13/96/60/212139660.db2.gz	AXYRBTCCFZMSHU-NUCSPZLJSA-N	0	0	340.379	3.884	40	5		EHBBRN
COc1ccc(CNc2cc(C)c([N+](=O)[O-])cc2OC)cc1OC	ZINC000004773304	210275909	/nfs/dbraw/zinc/27/59/09/210275909.db2.gz	YKRWVEZUMMLFCW-UHFFFAOYSA-N	0	0	332.356	3.541	40	5		EHBBRN
O=C(Nc1ccc2nc3[nH]c4ccccc4c3nc2c1)c1cccnc1	ZINC000408978174	257884005	/nfs/dbraw/zinc/88/40/05/257884005.db2.gz	YPKXHCDBRXOZGN-UHFFFAOYSA-N	0	0	339.358	3.912	40	5		EHBBRN
COc1cccc2cc(C(=O)Nc3ccc([N+](=O)[O-])c(C)c3)oc21	ZINC000408570475	257896086	/nfs/dbraw/zinc/89/60/86/257896086.db2.gz	VQGCNWANJBZOTG-UHFFFAOYSA-N	0	0	326.308	3.910	40	5		EHBBRN
CO[C@@H]1c2ccccc2C=CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000004773604	135666576	/nfs/dbraw/zinc/66/65/76/135666576.db2.gz	QWPSVDDDASPSGK-MRXNPFEDSA-N	0	0	327.296	3.639	40	5		EHBBRN
COc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1	ZINC000007781289	563614465	/nfs/dbraw/zinc/61/44/65/563614465.db2.gz	WESHYXOBWSZFEQ-UHFFFAOYSA-N	0	0	331.715	3.974	40	5		EHBBRN
Cc1nc2c(ccc3cc4ccccc4cc32)cc1N(CCO)CCO	ZINC000013208021	563692028	/nfs/dbraw/zinc/69/20/28/563692028.db2.gz	HSGDZNWLQYJHRV-UHFFFAOYSA-N	0	0	346.430	3.641	40	5		EHBBRN
CCN(CC)c1ccc2c(c1)oc(=O)c1c(=O)oc3ccccc3c21	ZINC000016739843	563821787	/nfs/dbraw/zinc/82/17/87/563821787.db2.gz	ORJFEDDNXDNMDZ-UHFFFAOYSA-N	0	0	335.359	3.899	40	5		EHBBRN
COc1c(C(=O)N2CCCC[C@@H]2C)cc(C(C)(C)C)cc1[N+](=O)[O-]	ZINC000072206636	563984339	/nfs/dbraw/zinc/98/43/39/563984339.db2.gz	QQAJTBVMSOVSDB-LBPRGKRZSA-N	0	0	334.416	3.916	40	5		EHBBRN
COc1cc([N+](=O)[O-])ccc1NC(=O)OCC(Cl)(Cl)Cl	ZINC000005208291	564000509	/nfs/dbraw/zinc/00/05/09/564000509.db2.gz	LTMJRFFMAIIUAL-UHFFFAOYSA-N	0	0	343.550	3.522	40	5		EHBBRN
C[C@H]1CC[C@H]2CCCC[C@@H]2N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000005259066	564005878	/nfs/dbraw/zinc/00/58/78/564005878.db2.gz	HBLSRPRAUIYMFC-OZVIIMIRSA-N	0	0	347.371	3.686	40	5		EHBBRN
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000005671627	564017644	/nfs/dbraw/zinc/01/76/44/564017644.db2.gz	ATOGESFXSJQFCC-FPYGCLRLSA-N	0	0	347.714	3.808	40	5		EHBBRN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1C	ZINC000014401286	564023374	/nfs/dbraw/zinc/02/33/74/564023374.db2.gz	VCZQRTDMWFPWOM-UHFFFAOYSA-N	0	0	340.788	3.666	40	5		EHBBRN
C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc([N+](=O)[O-])cc2)S1	ZINC000222561622	564054158	/nfs/dbraw/zinc/05/41/58/564054158.db2.gz	JYRPUDPYJZMDFO-XZJROXQQSA-N	0	0	340.408	3.579	40	5		EHBBRN
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1nccs1	ZINC000005869307	564056686	/nfs/dbraw/zinc/05/66/86/564056686.db2.gz	YLOHXKLRUWBBNC-SOFGYWHQSA-N	0	0	341.348	3.963	40	5		EHBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1ccc(C)cc1	ZINC000015270877	564060178	/nfs/dbraw/zinc/06/01/78/564060178.db2.gz	OMQNOJCTQPIIFG-UHFFFAOYSA-N	0	0	346.408	3.784	40	5		EHBBRN
CCCCC[C@H](C)N(CC(C)(C)O)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001710557	564082884	/nfs/dbraw/zinc/08/28/84/564082884.db2.gz	YWXWVANIACCZRN-AWEZNQCLSA-N	0	0	336.432	3.777	40	5		EHBBRN
CCN(c1c(C)cccc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000224765599	564119089	/nfs/dbraw/zinc/11/90/89/564119089.db2.gz	GMAVKHYBGCXMAE-UHFFFAOYSA-N	0	0	348.424	3.735	40	5		EHBBRN
CC(C)c1ccc(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000194647937	564121785	/nfs/dbraw/zinc/12/17/85/564121785.db2.gz	MKMHHEUTMHONFU-UHFFFAOYSA-N	0	0	334.397	3.543	40	5		EHBBRN
O=[N+]([O-])c1ccc(-n2cc(Br)c(C(F)F)n2)c(F)c1	ZINC000685936591	564133289	/nfs/dbraw/zinc/13/32/89/564133289.db2.gz	IYRRSCUHIIXGFZ-UHFFFAOYSA-N	0	0	336.067	3.620	40	5		EHBBRN
C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000225351286	564134184	/nfs/dbraw/zinc/13/41/84/564134184.db2.gz	SRFXKDBGJDQTSC-ZDUSSCGKSA-N	0	0	340.379	3.880	40	5		EHBBRN
C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2cccc([N+](=O)[O-])c2)S1	ZINC000260781631	564136072	/nfs/dbraw/zinc/13/60/72/564136072.db2.gz	UEHHLGFSRQTRIJ-XFBWCDHKSA-N	0	0	340.408	3.579	40	5		EHBBRN
CCOC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1	ZINC000003072087	564154961	/nfs/dbraw/zinc/15/49/61/564154961.db2.gz	WGPGKMPWHLBYPQ-UHFFFAOYSA-N	0	0	348.742	3.677	40	5		EHBBRN
Cc1cccc(N2C(=O)S[C@H](Nc3cccc([N+](=O)[O-])c3)C2=O)c1	ZINC000008414657	564165200	/nfs/dbraw/zinc/16/52/00/564165200.db2.gz	KNWAXKWCNRZZAA-AWEZNQCLSA-N	0	0	343.364	3.541	40	5		EHBBRN
Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(/C=C2\SC(=N)NC2=O)o1	ZINC000004596803	210228667	/nfs/dbraw/zinc/22/86/67/210228667.db2.gz	SMPHIEKRJZXNHH-AUWJEWJLSA-N	0	0	343.364	3.610	40	5		EHBBRN
CC(=O)Oc1c2ccc([N+](=O)[O-])cc2n(C(C)=O)c1-c1ccccc1	ZINC000003844599	210079525	/nfs/dbraw/zinc/07/95/25/210079525.db2.gz	XHLUELRXXNTZSH-UHFFFAOYSA-N	0	0	338.319	3.802	40	5		EHBBRN
CC(C)(C)OC(=O)N1CCC(COc2ccccc2[N+](=O)[O-])CC1	ZINC000067800839	215215702	/nfs/dbraw/zinc/21/57/02/215215702.db2.gz	MHVLHPFCFGHTOM-UHFFFAOYSA-N	0	0	336.388	3.621	40	5		EHBBRN
O=[N+]([O-])c1cc(-c2n[nH]c(COc3ccccc3)n2)ccc1Cl	ZINC000040169679	213278122	/nfs/dbraw/zinc/27/81/22/213278122.db2.gz	CDTRJBJFJHJGLT-UHFFFAOYSA-N	0	0	330.731	3.612	40	5		EHBBRN
CN(C)c1cc(NC(=O)c2ccc(F)cc2)c(Cl)cc1[N+](=O)[O-]	ZINC000072229343	216071350	/nfs/dbraw/zinc/07/13/50/216071350.db2.gz	GESKWESUZIJTCT-UHFFFAOYSA-N	0	0	337.738	3.706	40	5		EHBBRN
CCOC(=O)c1ccc(Nc2ccc(C(C)=O)cc2[N+](=O)[O-])cc1	ZINC000225208685	241810784	/nfs/dbraw/zinc/81/07/84/241810784.db2.gz	NTCZXDOVALKHOA-UHFFFAOYSA-N	0	0	328.324	3.718	40	5		EHBBRN
O=C(Nc1cccc([N+](=O)[O-])c1)c1snnc1-c1ccc(F)cc1	ZINC000225780494	242031923	/nfs/dbraw/zinc/03/19/23/242031923.db2.gz	YEWXSJYMOLYFPA-UHFFFAOYSA-N	0	0	344.327	3.505	40	5		EHBBRN
CC(C)C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1	ZINC000021185756	212215822	/nfs/dbraw/zinc/21/58/22/212215822.db2.gz	NKVPWJOEAQATDL-HNNXBMFYSA-N	0	0	348.424	3.661	40	5		EHBBRN
CCOC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000020458414	212133156	/nfs/dbraw/zinc/13/31/56/212133156.db2.gz	BBPKEWDNIVTJKI-UHFFFAOYSA-N	0	0	348.742	3.677	40	5		EHBBRN
Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-]	ZINC000014790006	211764043	/nfs/dbraw/zinc/76/40/43/211764043.db2.gz	QAFSOFLAOGMMDE-UHFFFAOYSA-N	0	0	338.285	3.852	40	5		EHBBRN
COc1ccc(/C=C\c2onc(C)c2[N+](=O)[O-])cc1Br	ZINC000408542525	257897616	/nfs/dbraw/zinc/89/76/16/257897616.db2.gz	JZIAIOLCYBPMRP-XQRVVYSFSA-N	0	0	339.145	3.833	40	5		EHBBRN
CCc1ccccc1O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C	ZINC000216298095	535972114	/nfs/dbraw/zinc/97/21/14/535972114.db2.gz	RPEOHMHYNDAPSV-ZDUSSCGKSA-N	0	0	328.368	3.872	40	5		EHBBRN
O=C(c1ccc2nc3[nH]c4ccccc4c3nc2c1)N1CCCCC1	ZINC000408721156	563618536	/nfs/dbraw/zinc/61/85/36/563618536.db2.gz	DGTUJKDTFZYKMK-UHFFFAOYSA-N	0	0	330.391	3.890	40	5		EHBBRN
Cc1ccc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1[N+](=O)[O-]	ZINC000014258452	563983821	/nfs/dbraw/zinc/98/38/21/563983821.db2.gz	CYWMOKNIAOTLPF-UHFFFAOYSA-N	0	0	341.367	3.750	40	5		EHBBRN
Nc1ccccc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000408600254	563993506	/nfs/dbraw/zinc/99/35/06/563993506.db2.gz	XOYVTZRCUYQCNT-UHFFFAOYSA-N	0	0	337.788	3.561	40	5		EHBBRN
CC(C)(C)c1nnc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1	ZINC000005284368	564002417	/nfs/dbraw/zinc/00/24/17/564002417.db2.gz	HSDLSEVWMSLVHU-UHFFFAOYSA-N	0	0	340.792	3.650	40	5		EHBBRN
CCCC[C@@](CCc1ccc([N+](=O)[O-])cc1)(C(C)=O)C(=O)OCC	ZINC000005554064	564005363	/nfs/dbraw/zinc/00/53/63/564005363.db2.gz	ZURMKJWCGFQHLD-GOSISDBHSA-N	0	0	335.400	3.856	40	5		EHBBRN
CC(C)NC(=S)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1	ZINC000408975955	564008525	/nfs/dbraw/zinc/00/85/25/564008525.db2.gz	NYDBXFKGJUFBIL-UHFFFAOYSA-N	0	0	335.436	3.959	40	5		EHBBRN
CC(C)(C)c1ccccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000005380140	564013985	/nfs/dbraw/zinc/01/39/85/564013985.db2.gz	CUIAYKVJEXVPNV-UHFFFAOYSA-N	0	0	328.368	3.910	40	5		EHBBRN
CC(C)c1ccccc1NC(=O)CSc1ccc([N+](=O)[O-])cn1	ZINC000159623997	564053731	/nfs/dbraw/zinc/05/37/31/564053731.db2.gz	FNNRFGRBJAFZBQ-UHFFFAOYSA-N	0	0	331.397	3.844	40	5		EHBBRN
C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccccc2[N+](=O)[O-])S1	ZINC000222561008	564054156	/nfs/dbraw/zinc/05/41/56/564054156.db2.gz	DRGKMQAIXPBART-LYRGGWFBSA-N	0	0	340.408	3.579	40	5		EHBBRN
C[C@@](Br)([C@@H](CC(=O)C1CC1)c1ccccc1)[N+](=O)[O-]	ZINC000001691978	564082668	/nfs/dbraw/zinc/08/26/68/564082668.db2.gz	XOEWBAHIMIWKFQ-JSGCOSHPSA-N	0	0	326.190	3.527	40	5		EHBBRN
Cc1ccc(S(=O)(=O)Nc2ccccc2C(C)C)cc1[N+](=O)[O-]	ZINC000006362259	564085276	/nfs/dbraw/zinc/08/52/76/564085276.db2.gz	OGYSRSNRIHQMCD-UHFFFAOYSA-N	0	0	334.397	3.827	40	5		EHBBRN
CCC(CC)Nc1nc(Cl)nc(Nc2cccc([N+](=O)[O-])c2)n1	ZINC000199799079	564124828	/nfs/dbraw/zinc/12/48/28/564124828.db2.gz	VKMRPIWJDJRASG-UHFFFAOYSA-N	0	0	336.783	3.777	40	5		EHBBRN
Cn1c(Cc2ccccc2)nnc1SCc1ccccc1[N+](=O)[O-]	ZINC000011975893	564127843	/nfs/dbraw/zinc/12/78/43/564127843.db2.gz	MWVXGQUPWKXIES-UHFFFAOYSA-N	0	0	340.408	3.606	40	5		EHBBRN
Cc1ccc(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1	ZINC000009141740	564134240	/nfs/dbraw/zinc/13/42/40/564134240.db2.gz	GSAJAHGCDDBYJK-UHFFFAOYSA-N	0	0	334.759	3.883	40	5		EHBBRN
Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000058108397	564157632	/nfs/dbraw/zinc/15/76/32/564157632.db2.gz	PWNSEUWCEBIXLB-GFCCVEGCSA-N	0	0	348.786	3.754	40	5		EHBBRN
O=C1OC(c2ccccc2)=N/C1=C\c1cc([N+](=O)[O-])ccc1Cl	ZINC000008179108	564163332	/nfs/dbraw/zinc/16/33/32/564163332.db2.gz	MRVVQRRPZUDHRC-ZROIWOOFSA-N	0	0	328.711	3.593	40	5		EHBBRN
O=[N+]([O-])c1cc(Br)cnc1NCc1ccc(F)cc1	ZINC000039956679	213246349	/nfs/dbraw/zinc/24/63/49/213246349.db2.gz	PJUQGGCZLOBVFF-UHFFFAOYSA-N	0	0	326.125	3.504	40	5		EHBBRN
CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(OC)cc1	ZINC000020485889	212137747	/nfs/dbraw/zinc/13/77/47/212137747.db2.gz	SHUNSVMNMOYSSW-INIZCTEOSA-N	0	0	328.368	3.793	40	5		EHBBRN
CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(OC)cc1	ZINC000020485886	212137486	/nfs/dbraw/zinc/13/74/86/212137486.db2.gz	SHUNSVMNMOYSSW-MRXNPFEDSA-N	0	0	328.368	3.793	40	5		EHBBRN
CCOc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1	ZINC000011169554	211207285	/nfs/dbraw/zinc/20/72/85/211207285.db2.gz	VJSKAIODFRZTKJ-CYBMUJFWSA-N	0	0	328.368	3.793	40	5		EHBBRN
Cc1c(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cccc1[N+](=O)[O-]	ZINC000008907420	211017585	/nfs/dbraw/zinc/01/75/85/211017585.db2.gz	WTKXAQXIUOVSSU-NSHDSACASA-N	0	0	334.759	3.963	40	5		EHBBRN
Cc1c(NC(=O)c2ccccc2Br)cccc1[N+](=O)[O-]	ZINC000005537151	210483208	/nfs/dbraw/zinc/48/32/08/210483208.db2.gz	HUXLKPZTHAXXDR-UHFFFAOYSA-N	0	0	335.157	3.918	40	5		EHBBRN
CC(=O)Nc1ccc(C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000004962765	210341816	/nfs/dbraw/zinc/34/18/16/210341816.db2.gz	YRFGSXXTIOTQGB-UHFFFAOYSA-N	0	0	343.339	3.787	40	5		EHBBRN
Cc1ccc(-c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)nn2)cc1C	ZINC000408526779	257898640	/nfs/dbraw/zinc/89/86/40/257898640.db2.gz	BCQPWOZNUOWMLK-UHFFFAOYSA-N	0	0	349.346	3.888	40	5		EHBBRN
Cc1cccc(N2C(=O)S[C@@H](Nc3cccc([N+](=O)[O-])c3)C2=O)c1	ZINC000008414639	563629727	/nfs/dbraw/zinc/62/97/27/563629727.db2.gz	KNWAXKWCNRZZAA-CQSZACIVSA-N	0	0	343.364	3.541	40	5		EHBBRN
Cc1cc(O)cc(O)c1-c1c(N)cc2oc3cc(=O)ccc-3nc2c1C	ZINC000016282025	563807440	/nfs/dbraw/zinc/80/74/40/563807440.db2.gz	QJLUJLRDBJOEFF-UHFFFAOYSA-N	0	0	348.358	3.570	40	5		EHBBRN
O=C(CSCc1ccc([N+](=O)[O-])cc1)N1CCCc2ccccc21	ZINC000013672887	563931716	/nfs/dbraw/zinc/93/17/16/563931716.db2.gz	HILKIPYVNKHLOZ-UHFFFAOYSA-N	0	0	342.420	3.807	40	5		EHBBRN
Nc1nc(-c2ccc([N+](=O)[O-])cc2)cc(-c2cccc(Cl)c2)n1	ZINC000071977418	563983886	/nfs/dbraw/zinc/98/38/86/563983886.db2.gz	OOXRNERPHZLOIZ-UHFFFAOYSA-N	0	0	326.743	3.954	40	5		EHBBRN
Cc1ccccc1CSCCNC(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000408576426	563993448	/nfs/dbraw/zinc/99/34/48/563993448.db2.gz	USRQMHPADCKNOI-UHFFFAOYSA-N	0	0	344.436	3.875	40	5		EHBBRN
O=c1c2c3c(sc2nc2c4ccccc4c(Cl)nn12)CCC3	ZINC000001465791	564002014	/nfs/dbraw/zinc/00/20/14/564002014.db2.gz	NGKLTVISYKLURY-UHFFFAOYSA-N	0	0	327.796	3.600	40	5		EHBBRN
Cc1cc(C(=O)Nc2cccc(Br)c2)ccc1[N+](=O)[O-]	ZINC000000514166	564020041	/nfs/dbraw/zinc/02/00/41/564020041.db2.gz	INJOBAWVIXIWLP-UHFFFAOYSA-N	0	0	335.157	3.918	40	5		EHBBRN
CCN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000224775205	564119172	/nfs/dbraw/zinc/11/91/72/564119172.db2.gz	POAWODOMYUZHBN-UHFFFAOYSA-N	0	0	348.424	3.735	40	5		EHBBRN
CCN(c1cc(C)ccc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000225070053	564125349	/nfs/dbraw/zinc/12/53/49/564125349.db2.gz	IJOGHEBLEDQURE-UHFFFAOYSA-N	0	0	348.424	3.735	40	5		EHBBRN
Cc1cc(C)c(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C)c1	ZINC000225086166	564125356	/nfs/dbraw/zinc/12/53/56/564125356.db2.gz	WJJPIGBMJRVFCX-UHFFFAOYSA-N	0	0	348.424	3.654	40	5		EHBBRN
Cc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)s1	ZINC000009062515	564127611	/nfs/dbraw/zinc/12/76/11/564127611.db2.gz	OMCKSYLAIHJAOP-UHFFFAOYSA-N	0	0	346.393	3.736	40	5		EHBBRN
CC(C)(C)Nc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(C2CC2)n1	ZINC000329049529	564137647	/nfs/dbraw/zinc/13/76/47/564137647.db2.gz	UPJFDNHFKGXLKA-UHFFFAOYSA-N	0	0	345.378	3.777	40	5		EHBBRN
COc1ccc([N+](=O)[O-])cc1NC(=S)NCCCc1ccccc1	ZINC000244173975	564165831	/nfs/dbraw/zinc/16/58/31/564165831.db2.gz	VFEAPONNAOUFIT-UHFFFAOYSA-N	0	0	345.424	3.523	40	5		EHBBRN
CC(=O)c1cc2c(N)c(-c3ccccc3[N+](=O)[O-])sc2nc1C	ZINC000004719108	210257240	/nfs/dbraw/zinc/25/72/40/210257240.db2.gz	FQVAHKKIZMKVLB-UHFFFAOYSA-N	0	0	327.365	3.965	40	5		EHBBRN
O=[N+]([O-])c1c(Br)ccnc1NCc1cc(F)cc(F)c1	ZINC000039956809	213245613	/nfs/dbraw/zinc/24/56/13/213245613.db2.gz	CBYPYLIAVOAFET-UHFFFAOYSA-N	0	0	344.115	3.643	40	5		EHBBRN
CCOC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccc(OC)cc3)oc21	ZINC000216729647	241205936	/nfs/dbraw/zinc/20/59/36/241205936.db2.gz	SEXWUKDPRHKZGO-UHFFFAOYSA-N	0	0	342.307	3.588	40	5		EHBBRN
O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2cccc3ccccc32)c1	ZINC000020452644	212131359	/nfs/dbraw/zinc/13/13/59/212131359.db2.gz	BJBGBGWVTAZKAG-UHFFFAOYSA-N	0	0	342.376	3.690	40	5		EHBBRN
Cc1nc(Sc2ccc(C=O)cc2[N+](=O)[O-])nc2c1CCCC2	ZINC000409274207	257873219	/nfs/dbraw/zinc/87/32/19/257873219.db2.gz	NRMWQFFKZGYQHN-UHFFFAOYSA-N	0	0	329.381	3.536	40	5		EHBBRN
O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1ccc([N+](=O)[O-])o1	ZINC000021577117	257856066	/nfs/dbraw/zinc/85/60/66/257856066.db2.gz	ARRPGUVOZLUEFX-UHFFFAOYSA-N	0	0	333.319	3.570	40	5		EHBBRN
Cc1ccc(C)c(-c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)nn2)c1	ZINC000408527796	563409875	/nfs/dbraw/zinc/40/98/75/563409875.db2.gz	IDDDDULAVJFODF-UHFFFAOYSA-N	0	0	349.346	3.888	40	5		EHBBRN
CCOc1ccccc1CCCNC(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000013670364	563931710	/nfs/dbraw/zinc/93/17/10/563931710.db2.gz	JWNDXQTZSYWMEX-UHFFFAOYSA-N	0	0	342.395	3.665	40	5		EHBBRN
Cc1cccc(OCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1	ZINC000000145381	563987226	/nfs/dbraw/zinc/98/72/26/563987226.db2.gz	NWJLMOUTCMEVGX-UHFFFAOYSA-N	0	0	343.364	3.530	40	5	aggregator	EHBBRN
O=C1S/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccccc1	ZINC000033318325	564050130	/nfs/dbraw/zinc/05/01/30/564050130.db2.gz	NCLHASIABOKGEI-XNTDXEJSSA-N	0	0	340.360	3.831	40	5		EHBBRN
COc1cccc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)oc21	ZINC000073742534	564061985	/nfs/dbraw/zinc/06/19/85/564061985.db2.gz	PSSNFJZWZUAKJP-UHFFFAOYSA-N	0	0	326.308	3.910	40	5		EHBBRN
CCOC(=O)c1ccccc1S[C@H](C[N+](=O)[O-])c1ccccc1	ZINC000001571831	564081615	/nfs/dbraw/zinc/08/16/15/564081615.db2.gz	ZBRQQRZXDOZYEO-MRXNPFEDSA-N	0	0	331.393	3.973	40	5		EHBBRN
COC(=O)c1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1Cl	ZINC000017072466	564116311	/nfs/dbraw/zinc/11/63/11/564116311.db2.gz	MSQOTZVLFUGVKF-UHFFFAOYSA-N	0	0	348.742	3.596	40	5		EHBBRN
Cc1cc(NC(=O)c2ccc(N3CCCC3)cc2)ccc1[N+](=O)[O-]	ZINC000007383258	564126693	/nfs/dbraw/zinc/12/66/93/564126693.db2.gz	QOVWVVCEYLPOKC-UHFFFAOYSA-N	0	0	325.368	3.756	40	5		EHBBRN
CCc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2C)cc1	ZINC000021596428	564146565	/nfs/dbraw/zinc/14/65/65/564146565.db2.gz	DEAUPIMRVRPWDG-UHFFFAOYSA-N	0	0	343.408	3.592	40	5		EHBBRN
Cc1ccc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C)c1	ZINC000008494027	564165446	/nfs/dbraw/zinc/16/54/46/564165446.db2.gz	GXFVCNMHXIUESR-AWEZNQCLSA-N	0	0	328.368	3.926	40	5		EHBBRN