smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1ccnc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c1[N+](=O)[O-]	ZINC001164726559	720396565	/nfs/dbraw/zinc/39/65/65/720396565.db2.gz	PNAWBUYDJHNMEA-JKSUJKDBSA-N	0	1	383.408	2.025	20	5		GEBDMN
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1	ZINC001164727874	720409773	/nfs/dbraw/zinc/40/97/73/720409773.db2.gz	SAICEVHMAWEEFH-ROUUACIJSA-N	0	1	397.435	2.415	20	5		GEBDMN
CC(C)N(C)Cc1cnc2n1CCN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])[C@@H]2C	ZINC001164856126	720967422	/nfs/dbraw/zinc/96/74/22/720967422.db2.gz	AOPDFMOMMRXWAT-GFCCVEGCSA-N	0	1	394.863	2.500	20	5		GEBDMN
Cc1cc([N+](=O)[O-])cnc1N1CC[C@@]2(C1)CCC[C@H](CN1CCN(C)CC1)O2	ZINC001164894117	721383395	/nfs/dbraw/zinc/38/33/95/721383395.db2.gz	XTCAJQJVQUHZDS-UYAOXDASSA-N	0	1	389.500	2.064	20	5		GEBDMN
Cc1cc([N+](=O)[O-])c(N2CCCC23CCN(CC(=O)N(C)C)CC3)nc1Cl	ZINC001165010172	721735000	/nfs/dbraw/zinc/73/50/00/721735000.db2.gz	DRBWFIFOMGTJHS-UHFFFAOYSA-N	0	1	395.891	2.475	20	5		GEBDMN
Cc1c(C)c(N2CCCC23CCN(CC(=O)N(C)C)CC3)ncc1[N+](=O)[O-]	ZINC001165011190	721739599	/nfs/dbraw/zinc/73/95/99/721739599.db2.gz	PFDDTGJVYKARDE-UHFFFAOYSA-N	0	1	375.473	2.130	20	5		GEBDMN
O=[N+]([O-])c1cc(F)cnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1	ZINC001164980660	722106199	/nfs/dbraw/zinc/10/61/99/722106199.db2.gz	JWGAQTAMWYHODY-CRAIPNDOSA-N	0	1	387.415	2.251	20	5		GEBDMN
O=[N+]([O-])c1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(F)c1	ZINC001164982540	722110050	/nfs/dbraw/zinc/11/00/50/722110050.db2.gz	WZROOKZCQFBGHA-CRAIPNDOSA-N	0	1	387.415	2.251	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)NCCNCc2ccc(F)c(Cl)c2)cc1	ZINC000161145077	531826708	/nfs/dbraw/zinc/82/67/08/531826708.db2.gz	CMUTXJUIIOGOON-UHFFFAOYSA-N	0	1	387.820	2.455	20	5		GEBDMN
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(CS(C)(=O)=O)c1	ZINC000058496167	531831601	/nfs/dbraw/zinc/83/16/01/531831601.db2.gz	RJYPEKAKSWZPDP-UHFFFAOYSA-N	0	1	384.435	2.249	20	5		GEBDMN
NC(=O)C1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCCCC1	ZINC000123133713	532094819	/nfs/dbraw/zinc/09/48/19/532094819.db2.gz	PLZVIOVVCXQJEV-UHFFFAOYSA-N	0	1	399.245	2.074	20	5		GEBDMN
C[C@H](CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[S@](C)=O	ZINC000124074918	532113904	/nfs/dbraw/zinc/11/39/04/532113904.db2.gz	YZFHNZIABPZBSM-WODJRTHDSA-N	0	1	389.282	2.337	20	5		GEBDMN
Cn1cc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(C(F)(F)F)n1	ZINC000124816696	532129285	/nfs/dbraw/zinc/12/92/85/532129285.db2.gz	AUSBFZNVFLCRFX-UHFFFAOYSA-N	0	1	398.750	2.479	20	5		GEBDMN
C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1cc2c(cc1Br)OCCO2	ZINC000137102760	532288319	/nfs/dbraw/zinc/28/83/19/532288319.db2.gz	STUKLNYQBPKIPV-SSDOTTSWSA-N	0	1	397.185	2.343	20	5		GEBDMN
COc1ccsc1[C@@H](C)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000186133427	532339810	/nfs/dbraw/zinc/33/98/10/532339810.db2.gz	FLIPGBSHORNZEK-LLVKDONJSA-N	0	1	385.467	2.294	20	5		GEBDMN
CCN1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)CC1	ZINC000557530774	532368454	/nfs/dbraw/zinc/36/84/54/532368454.db2.gz	OMTFWTWZDSLFFK-UHFFFAOYSA-N	0	1	375.210	2.337	20	5		GEBDMN
Cc1[nH]nc(C(=O)N2CC[C@H](Oc3cncc(Br)c3)C2)c1[N+](=O)[O-]	ZINC000590390135	532370067	/nfs/dbraw/zinc/37/00/67/532370067.db2.gz	MACGYZYAAKNBBP-JTQLQIEISA-N	0	1	396.201	2.077	20	5		GEBDMN
O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H](c2nc[nH]n2)C1	ZINC000425672747	532388774	/nfs/dbraw/zinc/38/87/74/532388774.db2.gz	LQDSMISSWHRFIU-QMMMGPOBSA-N	0	1	381.190	2.497	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC[C@]1(O)CCCOC1	ZINC000593661266	532493813	/nfs/dbraw/zinc/49/38/13/532493813.db2.gz	RUKGRUMJOJFXCD-CYBMUJFWSA-N	0	1	399.252	2.112	20	5		GEBDMN
CCOC(=O)[C@@H](C)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000431297504	532510919	/nfs/dbraw/zinc/51/09/19/532510919.db2.gz	ROKPKAOKCUCLRZ-ZETCQYMHSA-N	0	1	385.225	2.379	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCCC[C@@H]2c2nnc[nH]2)c1	ZINC000296309671	532512823	/nfs/dbraw/zinc/51/28/23/532512823.db2.gz	SNYRASPRFOXBOM-SNVBAGLBSA-N	0	1	389.796	2.421	20	5		GEBDMN
C[C@H](NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)c1ncnn1C	ZINC000296510044	532524654	/nfs/dbraw/zinc/52/46/54/532524654.db2.gz	ZPUBXDQPFWFKNU-LURJTMIESA-N	0	1	380.213	2.070	20	5		GEBDMN
O=C([O-])[C@@H]1CCC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1	ZINC000263405839	532624435	/nfs/dbraw/zinc/62/44/35/532624435.db2.gz	JQKMLKXVNAKPHI-SNVBAGLBSA-N	0	1	390.177	2.496	20	5		GEBDMN
O=C([O-])[C@@H]1CCC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1	ZINC000263405839	532624440	/nfs/dbraw/zinc/62/44/40/532624440.db2.gz	JQKMLKXVNAKPHI-SNVBAGLBSA-N	0	1	390.177	2.496	20	5		GEBDMN
CCOC(=O)CSc1nnc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)s1	ZINC000475606178	532641871	/nfs/dbraw/zinc/64/18/71/532641871.db2.gz	WHEHANKUCRCTID-UHFFFAOYSA-N	0	1	384.395	2.059	20	5		GEBDMN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCCCc2ccc(Cl)s2)n1	ZINC000599303575	532657591	/nfs/dbraw/zinc/65/75/91/532657591.db2.gz	MMBDZGTWDJZYHQ-UHFFFAOYSA-N	0	1	378.863	2.344	20	5		GEBDMN
CCn1nccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000536420179	532692163	/nfs/dbraw/zinc/69/21/63/532692163.db2.gz	LNQDGRWPLWDPPK-UHFFFAOYSA-N	0	1	375.204	2.375	20	5		GEBDMN
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCO[C@H]2CCN(C)C[C@H]21	ZINC000285685142	532697505	/nfs/dbraw/zinc/69/75/05/532697505.db2.gz	HWKVLIYMNFJJLD-CABCVRRESA-N	0	1	398.257	2.211	20	5		GEBDMN
CS[C@H](CO)[C@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000537042527	532702581	/nfs/dbraw/zinc/70/25/81/532702581.db2.gz	SVAMKYBMVQHSFO-QUBYGPBYSA-N	0	1	389.282	2.292	20	5		GEBDMN
CN1CCC[C@@H](NC(=O)c2cc(I)cc([N+](=O)[O-])c2)C1	ZINC000611223004	532721130	/nfs/dbraw/zinc/72/11/30/532721130.db2.gz	AVSKZMWDPWQISQ-LLVKDONJSA-N	0	1	389.193	2.023	20	5		GEBDMN
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H](C)c1nn[nH]n1	ZINC000286147612	532731453	/nfs/dbraw/zinc/73/14/53/532731453.db2.gz	RQAVZTIESHEOLZ-SSDOTTSWSA-N	0	1	383.206	2.055	20	5		GEBDMN
O=[N+]([O-])c1cc(Br)cnc1N1CCC(CN2CCOCC2)CC1	ZINC000268479423	532766162	/nfs/dbraw/zinc/76/61/62/532766162.db2.gz	KRXNBKATUUHFPL-UHFFFAOYSA-N	0	1	385.262	2.301	20	5		GEBDMN
CC(C)[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)OC(C)(C)C	ZINC000327635184	532792641	/nfs/dbraw/zinc/79/26/41/532792641.db2.gz	ACEBBTJVMKGJKI-LBPRGKRZSA-N	0	1	376.406	2.379	20	5		GEBDMN
COCCN1CC[C@@H](NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1	ZINC000269909540	532792931	/nfs/dbraw/zinc/79/29/31/532792931.db2.gz	CBTZNELGYOENJX-GFCCVEGCSA-N	0	1	386.246	2.116	20	5		GEBDMN
COCCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc([N+](=O)[O-])cc1Cl	ZINC000272925747	532819605	/nfs/dbraw/zinc/81/96/05/532819605.db2.gz	HBRGPHLCDFDYFX-CYBMUJFWSA-N	0	1	385.829	2.231	20	5		GEBDMN
CC1(CNCc2cc(I)cc([N+](=O)[O-])c2)OCCCO1	ZINC000289674316	532862843	/nfs/dbraw/zinc/86/28/43/532862843.db2.gz	ZWIDAGJXMNOEQU-UHFFFAOYSA-N	0	1	392.193	2.442	20	5		GEBDMN
O=C(CN1CCN([C@@H]2CCSC2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000365890104	532912825	/nfs/dbraw/zinc/91/28/25/532912825.db2.gz	HMBSFAPFFCOIPZ-CYBMUJFWSA-N	0	1	384.889	2.310	20	5		GEBDMN
O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H](c2nc[nH]n2)C1	ZINC000370362896	532943089	/nfs/dbraw/zinc/94/30/89/532943089.db2.gz	FQRNYEIOLSFUIF-NSHDSACASA-N	0	1	394.229	2.424	20	5		GEBDMN
O=C([O-])[C@@H]1CC[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1	ZINC000819151746	597536362	/nfs/dbraw/zinc/53/63/62/597536362.db2.gz	VXRVEDSNLFGZBP-LLVKDONJSA-N	0	1	376.394	2.063	20	5		GEBDMN
O=C([O-])[C@@H]1CC[N@@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1	ZINC000819151746	597536364	/nfs/dbraw/zinc/53/63/64/597536364.db2.gz	VXRVEDSNLFGZBP-LLVKDONJSA-N	0	1	376.394	2.063	20	5		GEBDMN
CC(C)c1[nH]nc(C(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)c1[N+](=O)[O-]	ZINC000820183617	607347325	/nfs/dbraw/zinc/34/73/25/607347325.db2.gz	HGECZLBBJOKIMX-UHFFFAOYSA-N	0	1	396.411	2.426	20	5		GEBDMN
C[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000736135483	598581782	/nfs/dbraw/zinc/58/17/82/598581782.db2.gz	YLWDSKFYRYAAHZ-YVEFUNNKSA-N	0	1	393.407	2.231	20	5		GEBDMN
CC[NH+]1CCN(C[C@@H](C)CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000737116204	599854130	/nfs/dbraw/zinc/85/41/30/599854130.db2.gz	OUMLVOQYVMUEBY-ZKKXHLJNSA-N	0	1	376.457	2.378	20	5		GEBDMN
C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1	ZINC000600870425	601101768	/nfs/dbraw/zinc/10/17/68/601101768.db2.gz	SNNGKBSYDBVXLQ-NSHDSACASA-N	0	1	377.422	2.431	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc(Cl)cc2)c1-c1nn[nH]n1	ZINC000826500278	607573017	/nfs/dbraw/zinc/57/30/17/607573017.db2.gz	RNXAFQQTVCYSIQ-UHFFFAOYSA-N	0	1	381.757	2.196	20	5		GEBDMN
CSc1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)cc1	ZINC000826230848	607578272	/nfs/dbraw/zinc/57/82/72/607578272.db2.gz	LZRKGBKZXNHWFV-UHFFFAOYSA-N	0	1	393.406	2.265	20	5		GEBDMN
CN(C[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1)C(=O)[O-]	ZINC000739637419	602704680	/nfs/dbraw/zinc/70/46/80/602704680.db2.gz	OXEBZCOINWTBCO-XJKSGUPXSA-N	0	1	376.413	2.022	20	5		GEBDMN
CN(C[C@@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1)C(=O)[O-]	ZINC000739637419	602704681	/nfs/dbraw/zinc/70/46/81/602704681.db2.gz	OXEBZCOINWTBCO-XJKSGUPXSA-N	0	1	376.413	2.022	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)NCCCC2CCCCC2)c1-c1nn[nH]n1	ZINC000826500024	607588366	/nfs/dbraw/zinc/58/83/66/607588366.db2.gz	IOEIBZBQOMRKQU-UHFFFAOYSA-N	0	1	394.457	2.414	20	5		GEBDMN
CCCC[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000825266692	607606499	/nfs/dbraw/zinc/60/64/99/607606499.db2.gz	GMLLUVKRZXHXLH-RYUDHWBXSA-N	0	1	394.457	2.412	20	5		GEBDMN
CC(C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1	ZINC000824216198	607608094	/nfs/dbraw/zinc/60/80/94/607608094.db2.gz	OVTLIQUYGUTWOH-VXGBXAGGSA-N	0	1	394.457	2.268	20	5		GEBDMN
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[O-]	ZINC000829516526	603582013	/nfs/dbraw/zinc/58/20/13/603582013.db2.gz	UKMSIFIIMUKXFH-CYBMUJFWSA-N	0	1	380.401	2.006	20	5		GEBDMN
C[C@H]1CCC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@H]1CNC(=O)[O-]	ZINC000825926354	603710012	/nfs/dbraw/zinc/71/00/12/603710012.db2.gz	WNGAOAKVDBZUSE-WFASDCNBSA-N	0	1	392.412	2.261	20	5		GEBDMN
C[C@H]1CC(C)(C)CC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000824877580	607662458	/nfs/dbraw/zinc/66/24/58/607662458.db2.gz	YRZYQHGBZHLRKI-QWRGUYRKSA-N	0	1	394.457	2.268	20	5		GEBDMN
CCC1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCCC1	ZINC000825171477	607671814	/nfs/dbraw/zinc/67/18/14/607671814.db2.gz	QRVSYFSHJRNULG-UHFFFAOYSA-N	0	1	380.430	2.024	20	5		GEBDMN
C[N@H+]1CCC[C@@H](N2CCN(c3cc(Cl)c(C(=O)[O-])cc3[N+](=O)[O-])CC2)C1	ZINC000830934606	604267495	/nfs/dbraw/zinc/26/74/95/604267495.db2.gz	INTVDHMLZVVOSP-GFCCVEGCSA-N	0	1	382.848	2.163	20	5		GEBDMN
C[C@@H](Oc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1)C(=O)[O-]	ZINC000833539778	604535283	/nfs/dbraw/zinc/53/52/83/604535283.db2.gz	JBGMHTYORXLYMO-CQSZACIVSA-N	0	1	386.408	2.164	20	5		GEBDMN
C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@H]1C	ZINC000833539974	605163357	/nfs/dbraw/zinc/16/33/57/605163357.db2.gz	QSOMOTLIRHVNKB-NEPJUHHUSA-N	0	1	399.831	2.023	20	5		GEBDMN
O=C([O-])N[C@@H]1CCC[C@@H]2C[N@@H+](Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]21	ZINC000834187158	605323503	/nfs/dbraw/zinc/32/35/03/605323503.db2.gz	YLPQWIGASYMNGG-VNQPRFMTSA-N	0	1	386.412	2.179	20	5		GEBDMN
O=C([O-])N[C@@H]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]21	ZINC000834178247	605443023	/nfs/dbraw/zinc/44/30/23/605443023.db2.gz	DOBHYKXDJDADML-HZSPNIEDSA-N	0	1	376.413	2.292	20	5		GEBDMN
C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@@H]2C1	ZINC000833790547	605445501	/nfs/dbraw/zinc/44/55/01/605445501.db2.gz	PHYZAFWQCFLVEK-XJFOESAGSA-N	0	1	376.413	2.290	20	5		GEBDMN
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@H]2C1	ZINC000833791192	605450052	/nfs/dbraw/zinc/45/00/52/605450052.db2.gz	SVZWURGYVOWMRZ-KNPMLCFXSA-N	0	1	376.413	2.290	20	5		GEBDMN
C[C@@H](N[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1cccc([N+](=O)[O-])c1	ZINC000820419409	606301072	/nfs/dbraw/zinc/30/10/72/606301072.db2.gz	GTARLULZGIUVJI-YGRLFVJLSA-N	0	1	399.436	2.293	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H]1CC[N@H+](CCc2ccccc2)C1	ZINC000823620427	606709413	/nfs/dbraw/zinc/70/94/13/606709413.db2.gz	KYWXGAZLZOJLBR-OAHLLOKOSA-N	0	1	394.439	2.146	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H]1CC[N@@H+](CCc2ccccc2)C1	ZINC000823620427	606709415	/nfs/dbraw/zinc/70/94/15/606709415.db2.gz	KYWXGAZLZOJLBR-OAHLLOKOSA-N	0	1	394.439	2.146	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H]1CC[N@H+](CCc2ccccc2)C1	ZINC000823620427	606709417	/nfs/dbraw/zinc/70/94/17/606709417.db2.gz	KYWXGAZLZOJLBR-OAHLLOKOSA-N	0	1	394.439	2.146	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H]1CC[N@@H+](CCc2ccccc2)C1	ZINC000823620427	606709418	/nfs/dbraw/zinc/70/94/18/606709418.db2.gz	KYWXGAZLZOJLBR-OAHLLOKOSA-N	0	1	394.439	2.146	20	5		GEBDMN
C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1	ZINC000820705547	606710572	/nfs/dbraw/zinc/71/05/72/606710572.db2.gz	UZXGBYGEPSHVIU-UONOGXRCSA-N	0	1	386.460	2.261	20	5		GEBDMN
C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1	ZINC000820705547	606710574	/nfs/dbraw/zinc/71/05/74/606710574.db2.gz	UZXGBYGEPSHVIU-UONOGXRCSA-N	0	1	386.460	2.261	20	5		GEBDMN
C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1	ZINC000820705547	606710576	/nfs/dbraw/zinc/71/05/76/606710576.db2.gz	UZXGBYGEPSHVIU-UONOGXRCSA-N	0	1	386.460	2.261	20	5		GEBDMN
C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1	ZINC000820705547	606710577	/nfs/dbraw/zinc/71/05/77/606710577.db2.gz	UZXGBYGEPSHVIU-UONOGXRCSA-N	0	1	386.460	2.261	20	5		GEBDMN
C[C@H](CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])[N@H+](C)Cc1ccccc1	ZINC000820240009	606715013	/nfs/dbraw/zinc/71/50/13/606715013.db2.gz	BKLWDAMGUISKRD-CYBMUJFWSA-N	0	1	382.428	2.492	20	5		GEBDMN
C[C@H](CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1	ZINC000820240009	606715014	/nfs/dbraw/zinc/71/50/14/606715014.db2.gz	BKLWDAMGUISKRD-CYBMUJFWSA-N	0	1	382.428	2.492	20	5		GEBDMN
C[C@H](CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])[N@H+](C)Cc1ccccc1	ZINC000820240009	606715016	/nfs/dbraw/zinc/71/50/16/606715016.db2.gz	BKLWDAMGUISKRD-CYBMUJFWSA-N	0	1	382.428	2.492	20	5		GEBDMN
C[C@H](CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1	ZINC000820240009	606715018	/nfs/dbraw/zinc/71/50/18/606715018.db2.gz	BKLWDAMGUISKRD-CYBMUJFWSA-N	0	1	382.428	2.492	20	5		GEBDMN
CN(C1CCCCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000821592374	606731324	/nfs/dbraw/zinc/73/13/24/606731324.db2.gz	CRJHTMWAJQYPMF-UHFFFAOYSA-N	0	1	380.430	2.118	20	5		GEBDMN
CCC[C@@]1(C)CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1	ZINC000821028031	606736007	/nfs/dbraw/zinc/73/60/07/606736007.db2.gz	RWSFBWWEPXASEI-INIZCTEOSA-N	0	1	394.457	2.366	20	5		GEBDMN
CN(C1CCC(C)(C)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000821592708	606736865	/nfs/dbraw/zinc/73/68/65/606736865.db2.gz	QTUGBEDSBRBEQL-UHFFFAOYSA-N	0	1	394.457	2.364	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)s1	ZINC000823643847	607123195	/nfs/dbraw/zinc/12/31/95/607123195.db2.gz	CSFHXHJOKQNCMF-UHFFFAOYSA-N	0	1	386.802	2.291	20	5		GEBDMN
Cc1ccc(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)c(C)c1	ZINC000822241361	607155922	/nfs/dbraw/zinc/15/59/22/607155922.db2.gz	SVGZBNZVASYJHT-UHFFFAOYSA-N	0	1	388.409	2.217	20	5		GEBDMN
C[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1	ZINC000820281589	607167466	/nfs/dbraw/zinc/16/74/66/607167466.db2.gz	WQCCTUYYJJLDBJ-GFCCVEGCSA-N	0	1	380.412	2.029	20	5		GEBDMN
C[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1	ZINC000820281589	607167468	/nfs/dbraw/zinc/16/74/68/607167468.db2.gz	WQCCTUYYJJLDBJ-GFCCVEGCSA-N	0	1	380.412	2.029	20	5		GEBDMN
O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c(-c2nn[nH]n2)c1	ZINC000826499146	608234543	/nfs/dbraw/zinc/23/45/43/608234543.db2.gz	XKSWWZRQEKNKHL-LLVKDONJSA-N	0	1	381.400	2.154	20	5		GEBDMN
C[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccc(-c2nn[nH]n2)c1	ZINC000824555486	608487037	/nfs/dbraw/zinc/48/70/37/608487037.db2.gz	WSKDPUIFPIBRMH-LBPRGKRZSA-N	0	1	393.407	2.015	20	5		GEBDMN
Cc1ccc([C@@H](C)NCC(=O)NCc2cccc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-]	ZINC000826282734	608554241	/nfs/dbraw/zinc/55/42/41/608554241.db2.gz	BIICWZJLOYMGDS-CYBMUJFWSA-N	0	1	395.423	2.050	20	5		GEBDMN
O=C1[C@H](NCc2ccc([N+](=O)[O-])cc2)CCCN1c1ccc(-c2nn[nH]n2)cc1	ZINC000826476335	609413380	/nfs/dbraw/zinc/41/33/80/609413380.db2.gz	FXGVYYTUAXMLRW-QGZVFWFLSA-N	0	1	393.407	2.060	20	5		GEBDMN
O=C1[C@@H](NCc2ccc([N+](=O)[O-])cc2)CCCN1c1ccc(-c2nn[nH]n2)cc1	ZINC000826476334	609413391	/nfs/dbraw/zinc/41/33/91/609413391.db2.gz	FXGVYYTUAXMLRW-KRWDZBQOSA-N	0	1	393.407	2.060	20	5		GEBDMN
C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCN1C	ZINC000462500532	650481958	/nfs/dbraw/zinc/48/19/58/650481958.db2.gz	LAKXNENNNKMFPV-MWLCHTKSSA-N	0	1	392.275	2.118	20	5		GEBDMN
CCO[C@@H]1C[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@H]1OC	ZINC000476215751	650546655	/nfs/dbraw/zinc/54/66/55/650546655.db2.gz	IJLHVYQKNAFJTM-MVWJERBFSA-N	0	1	399.252	2.372	20	5		GEBDMN
Cc1cc(S(=O)(=O)Nc2cccc(NS(C)(=O)=O)c2)ccc1[N+](=O)[O-]	ZINC000523730307	650637610	/nfs/dbraw/zinc/63/76/10/650637610.db2.gz	MZYIQNIYLLBGBS-UHFFFAOYSA-N	0	1	385.423	2.076	20	5		GEBDMN
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(S(C)(=O)=O)c2)c1C	ZINC000007325499	642337388	/nfs/dbraw/zinc/33/73/88/642337388.db2.gz	OMYQPUKNRIACAJ-UHFFFAOYSA-N	0	1	384.435	2.416	20	5		GEBDMN
COc1c(F)cc(S(=O)(=O)Nc2cccc([S@@](C)=O)c2)cc1[N+](=O)[O-]	ZINC000488233758	650742880	/nfs/dbraw/zinc/74/28/80/650742880.db2.gz	PRTVFPPCSFRQRI-XMMPIXPASA-N	0	1	388.398	2.281	20	5		GEBDMN
Cc1c(NS(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)cccc1[N+](=O)[O-]	ZINC000534208454	650771057	/nfs/dbraw/zinc/77/10/57/650771057.db2.gz	YULMWEXKOAIOQC-UHFFFAOYSA-N	0	1	382.419	2.034	20	5		GEBDMN
Cc1noc([C@H](C)NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)n1	ZINC000066577014	642923183	/nfs/dbraw/zinc/92/31/83/642923183.db2.gz	RAYAECRCHZGXNE-LURJTMIESA-N	0	1	391.203	2.088	20	5		GEBDMN
Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1S(C)(=O)=O	ZINC000536196077	650797990	/nfs/dbraw/zinc/79/79/90/650797990.db2.gz	COVAGGIWALSFEB-UHFFFAOYSA-N	0	1	384.435	2.416	20	5		GEBDMN
C[C@@H]1[C@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCN1C	ZINC000536694411	650805314	/nfs/dbraw/zinc/80/53/14/650805314.db2.gz	QDEVOGSYRHVFHB-MNOVXSKESA-N	0	1	385.262	2.320	20	5		GEBDMN
O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1nc2ncc(Br)cn2n1	ZINC000098102249	643102826	/nfs/dbraw/zinc/10/28/26/643102826.db2.gz	UPDQMTBAVYWNMF-UHFFFAOYSA-N	0	1	399.111	2.326	20	5		GEBDMN
CNC(=O)[C@H]1CCC[C@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000497993646	650845011	/nfs/dbraw/zinc/84/50/11/650845011.db2.gz	ONBPPVNHVVNLEV-WCBMZHEXSA-N	0	1	396.252	2.095	20	5		GEBDMN
Cn1cc(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc(Cl)c1=O	ZINC000118945447	643526803	/nfs/dbraw/zinc/52/68/03/643526803.db2.gz	JUEHIQBMJAJRDV-UHFFFAOYSA-N	0	1	378.193	2.401	20	5		GEBDMN
CC(C)N(CCN(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000123530431	643672516	/nfs/dbraw/zinc/67/25/16/643672516.db2.gz	OHWHJZUQEIIAFD-UHFFFAOYSA-N	0	1	394.291	2.318	20	5		GEBDMN
CC(C)N(CCN(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000123486123	643672724	/nfs/dbraw/zinc/67/27/24/643672724.db2.gz	XLIDDFHGMLEVGL-UHFFFAOYSA-N	0	1	394.291	2.318	20	5		GEBDMN
CCC([NH3+])(CC)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000124774268	643690290	/nfs/dbraw/zinc/69/02/90/643690290.db2.gz	FRVRLIBNEPKQIR-UHFFFAOYSA-N	0	1	380.264	2.153	20	5		GEBDMN
CCN1CCN([C@H]2CCN(c3ncc([N+](=O)[O-])c(C)c3Br)C2)CC1	ZINC000544395484	650941097	/nfs/dbraw/zinc/94/10/97/650941097.db2.gz	XPSNXHPFVBNVFS-ZDUSSCGKSA-N	0	1	398.305	2.277	20	5		GEBDMN
C[C@@H](CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)N1CCCC1	ZINC000547715987	651043101	/nfs/dbraw/zinc/04/31/01/651043101.db2.gz	OVCBNFZMHRRQON-JTQLQIEISA-N	0	1	392.275	2.120	20	5		GEBDMN
CN(C)C[C@@H]1CCCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000269352977	646029564	/nfs/dbraw/zinc/02/95/64/646029564.db2.gz	LEYQBSBBUSJQCW-NSHDSACASA-N	0	1	392.275	2.072	20	5		GEBDMN
CC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)[C@@H](O)C(F)F	ZINC000295673996	647236168	/nfs/dbraw/zinc/23/61/68/647236168.db2.gz	HIBHBVBTBJNFQE-GMSGAONNSA-N	0	1	376.740	2.070	20	5		GEBDMN
CS[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1N1CCCC1	ZINC000332107593	647411892	/nfs/dbraw/zinc/41/18/92/647411892.db2.gz	ZWGMGJZISMTYMA-GJZGRUSLSA-N	0	1	385.511	2.104	20	5		GEBDMN
C[S@](=O)C1(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1	ZINC000443100668	648861827	/nfs/dbraw/zinc/86/18/27/648861827.db2.gz	GLLCSPBBGJXABO-NRFANRHFSA-N	0	1	387.266	2.091	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)s1	ZINC000609598012	651626407	/nfs/dbraw/zinc/62/64/07/651626407.db2.gz	WGMIQSNRMULYRF-UHFFFAOYSA-N	0	1	383.386	2.059	20	5		GEBDMN
Cc1nnc([C@@H](C)NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])o1	ZINC000610732838	651680154	/nfs/dbraw/zinc/68/01/54/651680154.db2.gz	DGKYGZHERABJHY-ZCFIWIBFSA-N	0	1	391.203	2.088	20	5		GEBDMN
O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccc3nncn3c2)c1	ZINC000611615414	651731884	/nfs/dbraw/zinc/73/18/84/651731884.db2.gz	HHGUNUGHSLNHAQ-UHFFFAOYSA-N	0	1	398.198	2.201	20	5		GEBDMN
Cc1[nH]nc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1Br	ZINC000736167081	651812651	/nfs/dbraw/zinc/81/26/51/651812651.db2.gz	NTMZSCBUBLYJRE-VIFPVBQESA-N	0	1	395.217	2.110	20	5		GEBDMN
CN(C)[C@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccsc1	ZINC000578549911	652277393	/nfs/dbraw/zinc/27/73/93/652277393.db2.gz	GMHUDSVHGFMEDH-MRXNPFEDSA-N	0	1	383.495	2.323	20	5		GEBDMN
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@H](O)c1c(F)cccc1F	ZINC000751433994	652348889	/nfs/dbraw/zinc/34/88/89/652348889.db2.gz	BTCYUFOJUHDEAW-LBPRGKRZSA-N	0	1	376.312	2.024	20	5		GEBDMN
O=C(NC1(c2nn[nH]n2)CCCC1)c1cc(F)cc([N+](=O)[O-])c1Br	ZINC000755012725	652454938	/nfs/dbraw/zinc/45/49/38/652454938.db2.gz	NCAIUWWLZGEYQL-UHFFFAOYSA-N	0	1	399.180	2.209	20	5		GEBDMN
CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1	ZINC000593332441	652617424	/nfs/dbraw/zinc/61/74/24/652617424.db2.gz	MSCVESVPOOEMCK-NSHDSACASA-N	0	1	378.166	2.494	20	5		GEBDMN
CO[C@@H]1CS(=O)(=O)C[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1	ZINC000594965337	652698681	/nfs/dbraw/zinc/69/86/81/652698681.db2.gz	FDGKQVLSPUUJFZ-LSDHHAIUSA-N	0	1	382.463	2.225	20	5		GEBDMN
COC(=O)[C@H]1C[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1	ZINC000595402272	652723246	/nfs/dbraw/zinc/72/32/46/652723246.db2.gz	XLZIMAQNBMWMBF-FKQCQYRASA-N	0	1	383.209	2.132	20	5		GEBDMN
O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCc2[nH]nnc2C1	ZINC000764405301	652798546	/nfs/dbraw/zinc/79/85/46/652798546.db2.gz	BJZZLDAJEAJPPN-UHFFFAOYSA-N	0	1	386.593	2.327	20	5		GEBDMN
CN(C)CCN(CCc1ccccc1)S(=O)(=O)c1csc([N+](=O)[O-])c1	ZINC000768808446	653127613	/nfs/dbraw/zinc/12/76/13/653127613.db2.gz	SPBSUADDIJETRT-UHFFFAOYSA-N	0	1	383.495	2.451	20	5		GEBDMN
CN(C)C[C@H]1CCCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000771957984	653134769	/nfs/dbraw/zinc/13/47/69/653134769.db2.gz	AYZMNSZDGLFIRS-SNVBAGLBSA-N	0	1	392.275	2.072	20	5		GEBDMN
CS(=O)(=O)Cc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1	ZINC000768884722	653135802	/nfs/dbraw/zinc/13/58/02/653135802.db2.gz	WAEUCLAYYCFBBD-UHFFFAOYSA-N	0	1	376.437	2.002	20	5		GEBDMN
C[C@@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccnc(Cl)c1	ZINC000773005189	653176051	/nfs/dbraw/zinc/17/60/51/653176051.db2.gz	ADJSOADYDSZNAA-LLVKDONJSA-N	0	1	384.845	2.272	20	5		GEBDMN
Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](Oc2cncc(Br)c2)C1	ZINC000602886646	653212506	/nfs/dbraw/zinc/21/25/06/653212506.db2.gz	LBLSPXMJBVQREN-ZDUSSCGKSA-N	0	1	396.245	2.411	20	5		GEBDMN
CN(Cc1ccc(Br)cc1F)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000602927138	653215729	/nfs/dbraw/zinc/21/57/29/653215729.db2.gz	WKISRBKMKBTVBX-CYBMUJFWSA-N	0	1	387.209	2.186	20	5		GEBDMN
C[C@H]1CN(Cc2cc(I)cc([N+](=O)[O-])c2)CCN1C	ZINC000809968070	653315286	/nfs/dbraw/zinc/31/52/86/653315286.db2.gz	MNMMWWPCPGURMZ-JTQLQIEISA-N	0	1	375.210	2.335	20	5		GEBDMN
COC1([C@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CCOCC1	ZINC000817154364	653704993	/nfs/dbraw/zinc/70/49/93/653704993.db2.gz	PJVILMATLMMUKN-VIFPVBQESA-N	0	1	396.824	2.250	20	5		GEBDMN
CN(CC(=O)NCc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCSC1	ZINC000881863746	653744347	/nfs/dbraw/zinc/74/43/47/653744347.db2.gz	DJEWSWMFEGLKBN-LBPRGKRZSA-N	0	1	388.287	2.411	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H](O)c2ccccc2Cl)cc1	ZINC000819230052	653746793	/nfs/dbraw/zinc/74/67/93/653746793.db2.gz	UCWKYZUZUKIEOV-MRXNPFEDSA-N	0	1	384.841	2.345	20	5		GEBDMN
[NH3+]CCCCCC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000842922171	653774090	/nfs/dbraw/zinc/77/40/90/653774090.db2.gz	OSWDUCSNERUCQP-UHFFFAOYSA-N	0	1	380.264	2.155	20	5		GEBDMN
CCn1cc(S(=O)(=O)Nc2c(C)ccnc2Br)c([N+](=O)[O-])n1	ZINC000789735661	653780699	/nfs/dbraw/zinc/78/06/99/653780699.db2.gz	PHOUXWJCEVHIBL-UHFFFAOYSA-N	0	1	390.219	2.078	20	5		GEBDMN
C[C@H](NCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000896006272	653860679	/nfs/dbraw/zinc/86/06/79/653860679.db2.gz	JJZHSZPZQMCDOV-GXSJLCMTSA-N	0	1	377.260	2.270	20	5		GEBDMN
CN(C)C1(CS(=O)(=O)Oc2cc([N+](=O)[O-])ccc2Br)CC1	ZINC000867167811	653888541	/nfs/dbraw/zinc/88/85/41/653888541.db2.gz	JZPBDRVGXTXINL-UHFFFAOYSA-N	0	1	379.232	2.160	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000884957330	653898359	/nfs/dbraw/zinc/89/83/59/653898359.db2.gz	OHDPLSHSTPVLEP-NXEZZACHSA-N	0	1	377.825	2.292	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CC[N@H+]2CCC[C@@H]2C1	ZINC000884957330	653898361	/nfs/dbraw/zinc/89/83/61/653898361.db2.gz	OHDPLSHSTPVLEP-NXEZZACHSA-N	0	1	377.825	2.292	20	5		GEBDMN
Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cn(C)c1=O	ZINC000795340772	653946836	/nfs/dbraw/zinc/94/68/36/653946836.db2.gz	YJWCYJZDELTOKF-UHFFFAOYSA-N	0	1	375.765	2.195	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-][C@H]2CC[N@@H+]3CCCC[C@H]23)c1	ZINC000795796332	653966754	/nfs/dbraw/zinc/96/67/54/653966754.db2.gz	OHRDPRBDMYLUES-NWDGAFQWSA-N	0	1	377.825	2.292	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-][C@H]2CC[N@H+]3CCCC[C@H]23)c1	ZINC000795796332	653966757	/nfs/dbraw/zinc/96/67/57/653966757.db2.gz	OHRDPRBDMYLUES-NWDGAFQWSA-N	0	1	377.825	2.292	20	5		GEBDMN
CCN(CC)C(=O)CCCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000795791549	653966857	/nfs/dbraw/zinc/96/68/57/653966857.db2.gz	KMIWYJBDOZBXRN-UHFFFAOYSA-N	0	1	395.840	2.314	20	5		GEBDMN
C[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C[NH+]1CCCC1	ZINC000795806822	653967558	/nfs/dbraw/zinc/96/75/58/653967558.db2.gz	ZRKWMLCOXSYBQB-SNVBAGLBSA-N	0	1	379.841	2.398	20	5		GEBDMN
CC1(C)[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)[C@H]2CCO[C@H]21	ZINC000795853943	653971290	/nfs/dbraw/zinc/97/12/90/653971290.db2.gz	DFWUTJHKFDPHOF-BZHVJNSISA-N	0	1	378.809	2.479	20	5		GEBDMN
COc1cccc(CCNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)n1	ZINC000795879668	653974496	/nfs/dbraw/zinc/97/44/96/653974496.db2.gz	FXJFPORIQAIXOC-UHFFFAOYSA-N	0	1	389.792	2.312	20	5		GEBDMN
COC(=O)C[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C1CC1	ZINC000849469523	654043597	/nfs/dbraw/zinc/04/35/97/654043597.db2.gz	XCBBXTUMUWOHTC-SECBINFHSA-N	0	1	394.808	2.255	20	5		GEBDMN
COCC[C@@H]1CNCCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1	ZINC000904470662	654311966	/nfs/dbraw/zinc/31/19/66/654311966.db2.gz	ONDJYZSHERYGEE-GFCCVEGCSA-N	0	1	387.234	2.200	20	5		GEBDMN
Cc1nc([C@@H](C)NC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])n[nH]1	ZINC000804812469	654322088	/nfs/dbraw/zinc/32/20/88/654322088.db2.gz	OJIVDLNPUXVMOA-MRVPVSSYSA-N	0	1	397.233	2.097	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]([C@@H]2CCOC2)C(F)(F)F)c1C	ZINC000921860982	654333978	/nfs/dbraw/zinc/33/39/78/654333978.db2.gz	HOZRCGGDVSWHGM-ZWNOBZJWSA-N	0	1	382.360	2.457	20	5		GEBDMN
C[N@@H+](CC(=O)[O-])C1CCN(Cc2cc([N+](=O)[O-])ccc2Br)CC1	ZINC000923236249	654435478	/nfs/dbraw/zinc/43/54/78/654435478.db2.gz	VFCWXMCZQJYUPQ-UHFFFAOYSA-N	0	1	386.246	2.338	20	5		GEBDMN
O=[N+]([O-])c1ccn(C2CCN(Cc3ncc(Br)cc3O)CC2)n1	ZINC000894078719	654444633	/nfs/dbraw/zinc/44/46/33/654444633.db2.gz	LNTUKRFLARYNJB-UHFFFAOYSA-N	0	1	382.218	2.492	20	5		GEBDMN
COC(=O)c1ccnc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)c1[N+](=O)[O-]	ZINC001164726556	720395473	/nfs/dbraw/zinc/39/54/73/720395473.db2.gz	PNAWBUYDJHNMEA-CVEARBPZSA-N	0	1	383.408	2.025	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)nc(N2CCc3ncc(CN4CCCC4)n3CC2)c1	ZINC001164733737	720549998	/nfs/dbraw/zinc/54/99/98/720549998.db2.gz	QPKMXKSJPNIILA-UHFFFAOYSA-N	0	1	376.848	2.498	20	5		GEBDMN
Cc1nc(Cl)nc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c1[N+](=O)[O-]	ZINC001164762970	721075169	/nfs/dbraw/zinc/07/51/69/721075169.db2.gz	FPWLKYRFSUWYRB-KBPBESRZSA-N	0	1	391.863	2.038	20	5		GEBDMN
Cc1cnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)c([N+](=O)[O-])c1	ZINC001164886743	721383376	/nfs/dbraw/zinc/38/33/76/721383376.db2.gz	GAYSTFARLHCTIX-FXAWDEMLSA-N	0	1	389.500	2.064	20	5		GEBDMN
Cc1ccnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)c1[N+](=O)[O-]	ZINC001164892252	721393433	/nfs/dbraw/zinc/39/34/33/721393433.db2.gz	SKEVJBARBNKJDW-FXAWDEMLSA-N	0	1	389.500	2.064	20	5		GEBDMN
COc1cnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c([N+](=O)[O-])c1	ZINC001164904636	721530375	/nfs/dbraw/zinc/53/03/75/721530375.db2.gz	FUUAQAMSAZEPIS-RHSMWYFYSA-N	0	1	388.399	2.479	20	5		GEBDMN
Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164906380	721543446	/nfs/dbraw/zinc/54/34/46/721543446.db2.gz	KHIUHQDZXBOJAX-WBVHZDCISA-N	0	1	388.399	2.018	20	5		GEBDMN
CN(C)C(=O)CN1CCC2(CCCN2c2cnc3cc([N+](=O)[O-])ccc3n2)CC1	ZINC001165009498	721732588	/nfs/dbraw/zinc/73/25/88/721732588.db2.gz	XUYAYWNYODINFK-UHFFFAOYSA-N	0	1	398.467	2.061	20	5		GEBDMN
Cc1cc(Cl)c([N+](=O)[O-])c(N2CCCC23CCN(CC(=O)N(C)C)CC3)n1	ZINC001165011601	721734456	/nfs/dbraw/zinc/73/44/56/721734456.db2.gz	SHRDPHKUNXAYPE-UHFFFAOYSA-N	0	1	395.891	2.475	20	5		GEBDMN
Cc1cc(C)c([N+](=O)[O-])c(N2CCCC23CCN(CC(=O)N(C)C)CC3)n1	ZINC001165011166	721739191	/nfs/dbraw/zinc/73/91/91/721739191.db2.gz	OFUKMSFCIQPVRB-UHFFFAOYSA-N	0	1	375.473	2.130	20	5		GEBDMN
CN(C)C(=O)CN1CCC2(CCCN2c2ncnc3cccc([N+](=O)[O-])c32)CC1	ZINC001165012159	721749201	/nfs/dbraw/zinc/74/92/01/721749201.db2.gz	ATQMZQVABBEAHO-UHFFFAOYSA-N	0	1	398.467	2.061	20	5		GEBDMN
O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCN(C[C@@H]3CCCO3)CC2)c1	ZINC001165043875	721926359	/nfs/dbraw/zinc/92/63/59/721926359.db2.gz	QAVNFZJIKRGCGD-ZDUSSCGKSA-N	0	1	377.832	2.492	20	5		GEBDMN
Cc1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c([N+](=O)[O-])c1	ZINC001164984105	722101714	/nfs/dbraw/zinc/10/17/14/722101714.db2.gz	RRQYNQMAVRZHJQ-PKOBYXMFSA-N	0	1	383.452	2.421	20	5		GEBDMN
NC(=O)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000152136854	531532078	/nfs/dbraw/zinc/53/20/78/531532078.db2.gz	XJISZUXNFUAFQR-WPRPVWTQSA-N	0	1	396.252	2.224	20	5		GEBDMN
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(NS(C)(=O)=O)c1	ZINC000032590904	531654788	/nfs/dbraw/zinc/65/47/88/531654788.db2.gz	FYUXIKGNUJNNMR-UHFFFAOYSA-N	0	1	385.423	2.076	20	5		GEBDMN
Cc1c(Br)cc(S(=O)(=O)N2C[C@@H](C)NC[C@@H]2C)cc1[N+](=O)[O-]	ZINC000156223399	531723285	/nfs/dbraw/zinc/72/32/85/531723285.db2.gz	LWYUGEQPOMTYBY-BDAKNGLRSA-N	0	1	392.275	2.037	20	5		GEBDMN
O=[N+]([O-])c1ccc(NCCNS(=O)(=O)c2c(F)cc(F)cc2F)cc1	ZINC000060497817	531845739	/nfs/dbraw/zinc/84/57/39/531845739.db2.gz	OOWXRFLIXGLPGH-UHFFFAOYSA-N	0	1	375.328	2.403	20	5		GEBDMN
C[C@H](CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[S@@](C)=O	ZINC000124075279	532113641	/nfs/dbraw/zinc/11/36/41/532113641.db2.gz	YZFHNZIABPZBSM-QFWYVNQISA-N	0	1	389.282	2.337	20	5		GEBDMN
O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCN(C2CCOCC2)CC1	ZINC000176536382	532140126	/nfs/dbraw/zinc/14/01/26/532140126.db2.gz	YLWLDXCGZFIDLH-UHFFFAOYSA-N	0	1	398.257	2.294	20	5		GEBDMN
O=C(NCCCCN1CCOCC1)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000176989883	532157474	/nfs/dbraw/zinc/15/74/74/532157474.db2.gz	HZIJEXONKNVSJY-UHFFFAOYSA-N	0	1	386.246	2.200	20	5		GEBDMN
O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCN(C[C@H]2CCOC2)CC1	ZINC000178111984	532193905	/nfs/dbraw/zinc/19/39/05/532193905.db2.gz	HHXCUFNETUDAEC-GFCCVEGCSA-N	0	1	398.257	2.152	20	5		GEBDMN
Cc1c([C@@H](C)NC[C@@H](O)CS(=O)(=O)c2cccs2)cccc1[N+](=O)[O-]	ZINC000181634681	532303867	/nfs/dbraw/zinc/30/38/67/532303867.db2.gz	QWYQNBZCXFYJSX-CHWSQXEVSA-N	0	1	384.479	2.450	20	5		GEBDMN
CC[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1nc(C(F)(F)F)cs1	ZINC000185923246	532339013	/nfs/dbraw/zinc/33/90/13/532339013.db2.gz	YBSIABRWAWZGFC-NXEZZACHSA-N	0	1	379.364	2.368	20	5		GEBDMN
CC[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1nc(C(F)(F)F)cs1	ZINC000185923226	532339071	/nfs/dbraw/zinc/33/90/71/532339071.db2.gz	YBSIABRWAWZGFC-ZJUUUORDSA-N	0	1	379.364	2.368	20	5		GEBDMN
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CC[C@](O)(C(F)(F)F)C1	ZINC000589922556	532363008	/nfs/dbraw/zinc/36/30/08/532363008.db2.gz	JBGRBZVIYDMPMP-WRWORJQWSA-N	0	1	388.751	2.372	20	5		GEBDMN
Cc1c(Br)cc(C(=O)N2CC[C@H](c3nc[nH]n3)C2)cc1[N+](=O)[O-]	ZINC000425069927	532363746	/nfs/dbraw/zinc/36/37/46/532363746.db2.gz	WAVHAASNWKJVBC-VIFPVBQESA-N	0	1	380.202	2.414	20	5		GEBDMN
O=[N+]([O-])c1cc(I)ccc1N1CC[C@H](c2nc[nH]n2)C1	ZINC000425280659	532381365	/nfs/dbraw/zinc/38/13/65/532381365.db2.gz	HPNWRJZRCFSBJJ-QMMMGPOBSA-N	0	1	385.165	2.311	20	5		GEBDMN
O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H](c2n[nH]c(=O)o2)C1	ZINC000425304701	532382560	/nfs/dbraw/zinc/38/25/60/532382560.db2.gz	QKNFSKZCTRGBBO-QMMMGPOBSA-N	0	1	397.185	2.466	20	5		GEBDMN
Cc1[nH]nc(C(=O)N(CCO)Cc2cc(Br)cs2)c1[N+](=O)[O-]	ZINC000427570047	532426222	/nfs/dbraw/zinc/42/62/22/532426222.db2.gz	RPGQXOOUTZYRGB-UHFFFAOYSA-N	0	1	389.231	2.085	20	5		GEBDMN
O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H](CO)CN1CCCCC1	ZINC000561687445	532446472	/nfs/dbraw/zinc/44/64/72/532446472.db2.gz	SUJXXJGCRCBFHI-ZDUSSCGKSA-N	0	1	387.889	2.303	20	5		GEBDMN
CC(C)c1[nH]nc(C(=O)N2CCn3c(Br)cnc3C2)c1[N+](=O)[O-]	ZINC000283397006	532537311	/nfs/dbraw/zinc/53/73/11/532537311.db2.gz	BBTYLVNKRHZWQW-UHFFFAOYSA-N	0	1	383.206	2.056	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1	ZINC000471112047	532542522	/nfs/dbraw/zinc/54/25/22/532542522.db2.gz	ILFDHFFERAUMIJ-UHFFFAOYSA-N	0	1	388.398	2.247	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCC[C@@H](c3nc[nH]n3)C2)c1	ZINC000375684585	532574456	/nfs/dbraw/zinc/57/44/56/532574456.db2.gz	GINYYRJEYYIRKF-MRVPVSSYSA-N	0	1	389.796	2.074	20	5		GEBDMN
CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])N(C)C1	ZINC000284605148	532604546	/nfs/dbraw/zinc/60/45/46/532604546.db2.gz	ATEYNKICPUIAEY-RYUDHWBXSA-N	0	1	386.246	2.148	20	5		GEBDMN
CCn1cc(S(=O)(=O)Nc2nccc(C)c2Br)c([N+](=O)[O-])n1	ZINC000566491135	532612981	/nfs/dbraw/zinc/61/29/81/532612981.db2.gz	NXEKNKVRPAIAJZ-UHFFFAOYSA-N	0	1	390.219	2.078	20	5		GEBDMN
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2CCN(C)C[C@H]21	ZINC000285685146	532698121	/nfs/dbraw/zinc/69/81/21/532698121.db2.gz	HWKVLIYMNFJJLD-HUUCEWRRSA-N	0	1	398.257	2.211	20	5		GEBDMN
Cc1cc(S(C)(=O)=O)cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C	ZINC000442223007	532728656	/nfs/dbraw/zinc/72/86/56/532728656.db2.gz	PIWXNHYECBDCFS-UHFFFAOYSA-N	0	1	384.435	2.416	20	5		GEBDMN
CO[C@H](C)c1nc(CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cs1	ZINC000267625426	532747822	/nfs/dbraw/zinc/74/78/22/532747822.db2.gz	MIYRFDXKZMQTKB-MRVPVSSYSA-N	0	1	375.403	2.376	20	5		GEBDMN
CN(C)CCN(C1CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000414459016	532829024	/nfs/dbraw/zinc/82/90/24/532829024.db2.gz	IIKLPDZTZCPJCM-UHFFFAOYSA-N	0	1	381.376	2.328	20	5		GEBDMN
O=C(Nc1nc(-c2ccccn2)n[nH]1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	ZINC000053524199	205137363	/nfs/dbraw/zinc/13/73/63/205137363.db2.gz	REIWLFUYQNAYLK-UHFFFAOYSA-N	0	1	376.336	2.213	20	5		GEBDMN
CS[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C[C@H]1N1CCCC1	ZINC000332077865	532848586	/nfs/dbraw/zinc/84/85/86/532848586.db2.gz	HEGBSZSQUCSHBZ-HUUCEWRRSA-N	0	1	385.511	2.104	20	5		GEBDMN
O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H](c2n[nH]c(=O)o2)C1	ZINC000332257947	532851060	/nfs/dbraw/zinc/85/10/60/532851060.db2.gz	AJONGQLITZZFCV-QMMMGPOBSA-N	0	1	397.185	2.466	20	5		GEBDMN
O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H](c2n[nH]c(=O)o2)C1	ZINC000332257938	532850861	/nfs/dbraw/zinc/85/08/61/532850861.db2.gz	AJONGQLITZZFCV-MRVPVSSYSA-N	0	1	397.185	2.466	20	5		GEBDMN
CCN1CCC[C@@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000416367985	532872226	/nfs/dbraw/zinc/87/22/26/532872226.db2.gz	GBVLURPCJPGEKD-LLVKDONJSA-N	0	1	381.376	2.376	20	5		GEBDMN
COCc1nc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cs1	ZINC000290125050	532872937	/nfs/dbraw/zinc/87/29/37/532872937.db2.gz	LCOJXESSZHLQKC-UHFFFAOYSA-N	0	1	377.831	2.330	20	5		GEBDMN
CN(CC[N@@H+](C)C1CC1)c1c(I)cncc1[N+](=O)[O-]	ZINC000418924444	532881601	/nfs/dbraw/zinc/88/16/01/532881601.db2.gz	OJHWNMDJQVGRNE-UHFFFAOYSA-N	0	1	376.198	2.125	20	5		GEBDMN
O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000365292204	532909450	/nfs/dbraw/zinc/90/94/50/532909450.db2.gz	KMSBMCSPIHQPEB-SECBINFHSA-N	0	1	384.179	2.160	20	5		GEBDMN
C[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000736135479	598581792	/nfs/dbraw/zinc/58/17/92/598581792.db2.gz	YLWDSKFYRYAAHZ-PXAZEXFGSA-N	0	1	393.407	2.231	20	5		GEBDMN
O=C([O-])CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H]1CCCO1	ZINC000568872084	600511359	/nfs/dbraw/zinc/51/13/59/600511359.db2.gz	KUNKPWFNWKLURV-AWEZNQCLSA-N	0	1	376.369	2.101	20	5		GEBDMN
O=C([O-])CC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H]1CCCO1	ZINC000568872084	600511361	/nfs/dbraw/zinc/51/13/61/600511361.db2.gz	KUNKPWFNWKLURV-AWEZNQCLSA-N	0	1	376.369	2.101	20	5		GEBDMN
Cc1cc(NC[C@@]2([NH+]3CCOCC3)CCSC2)cc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000520233884	601545121	/nfs/dbraw/zinc/54/51/21/601545121.db2.gz	KKLYFXNTDIGELJ-KRWDZBQOSA-N	0	1	381.454	2.221	20	5		GEBDMN
COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](N(C)C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000739922465	601972018	/nfs/dbraw/zinc/97/20/18/601972018.db2.gz	YRMSZLSCSRZBSC-GFCCVEGCSA-N	0	1	380.401	2.006	20	5		GEBDMN
Cc1nn(C)c(C)c1C[NH+]1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1	ZINC000563207692	602316304	/nfs/dbraw/zinc/31/63/04/602316304.db2.gz	WQSIGXJEHZDDSG-UHFFFAOYSA-N	0	1	387.440	2.274	20	5		GEBDMN
CN(CC1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1)C(=O)[O-]	ZINC000739666698	602382564	/nfs/dbraw/zinc/38/25/64/602382564.db2.gz	UCLNDLRSEPRBCA-UHFFFAOYSA-N	0	1	375.385	2.467	20	5		GEBDMN
CC(C)CCC[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000824242714	607572883	/nfs/dbraw/zinc/57/28/83/607572883.db2.gz	AMZYQCRIVWOUJS-NSHDSACASA-N	0	1	382.446	2.268	20	5		GEBDMN
C[C@H]1CCC[C@@H](CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1	ZINC000824925259	607616858	/nfs/dbraw/zinc/61/68/58/607616858.db2.gz	CHYRSPUCMDGSEG-RYUDHWBXSA-N	0	1	394.457	2.270	20	5		GEBDMN
C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])[C@@H](C)C[N@@H+]1C	ZINC000833625751	604613197	/nfs/dbraw/zinc/61/31/97/604613197.db2.gz	ZXEDTYKXLAIKMP-NEPJUHHUSA-N	0	1	381.454	2.326	20	5		GEBDMN
C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])[C@@H](C)C[N@H+]1C	ZINC000833625751	604613200	/nfs/dbraw/zinc/61/32/00/604613200.db2.gz	ZXEDTYKXLAIKMP-NEPJUHHUSA-N	0	1	381.454	2.326	20	5		GEBDMN
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](CCC(=O)[O-])[C@@H](C)C1	ZINC000833545216	605250113	/nfs/dbraw/zinc/25/01/13/605250113.db2.gz	FOXQMQVARJFOTC-QWHCGFSZSA-N	0	1	381.454	2.083	20	5		GEBDMN
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](CCC(=O)[O-])[C@@H](C)C1	ZINC000833545216	605250117	/nfs/dbraw/zinc/25/01/17/605250117.db2.gz	FOXQMQVARJFOTC-QWHCGFSZSA-N	0	1	381.454	2.083	20	5		GEBDMN
C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1	ZINC000833813418	605954631	/nfs/dbraw/zinc/95/46/31/605954631.db2.gz	OTGKXAOCLNYLBI-ZIAGYGMSSA-N	0	1	391.428	2.162	20	5		GEBDMN
C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1	ZINC000833813418	605954633	/nfs/dbraw/zinc/95/46/33/605954633.db2.gz	OTGKXAOCLNYLBI-ZIAGYGMSSA-N	0	1	391.428	2.162	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC1CC[NH+](CCc2ccccc2)CC1	ZINC000823620891	606698449	/nfs/dbraw/zinc/69/84/49/606698449.db2.gz	SCRHOZVZEVELKK-UHFFFAOYSA-N	0	1	394.439	2.289	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC1CC[NH+](CCc2ccccc2)CC1	ZINC000823620891	606698450	/nfs/dbraw/zinc/69/84/50/606698450.db2.gz	SCRHOZVZEVELKK-UHFFFAOYSA-N	0	1	394.439	2.289	20	5		GEBDMN
C[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1	ZINC000820281592	607167069	/nfs/dbraw/zinc/16/70/69/607167069.db2.gz	WQCCTUYYJJLDBJ-LBPRGKRZSA-N	0	1	380.412	2.029	20	5		GEBDMN
C[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1	ZINC000820281592	607167070	/nfs/dbraw/zinc/16/70/70/607167070.db2.gz	WQCCTUYYJJLDBJ-LBPRGKRZSA-N	0	1	380.412	2.029	20	5		GEBDMN
O=C(CCN1CCc2c(cccc2[N+](=O)[O-])C1)Nc1ccccc1-c1nn[nH]n1	ZINC000826407208	607942997	/nfs/dbraw/zinc/94/29/97/607942997.db2.gz	FLIGPAQNBXCJOC-UHFFFAOYSA-N	0	1	393.407	2.162	20	5		GEBDMN
C[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[nH]n2)c1	ZINC000824553994	608487902	/nfs/dbraw/zinc/48/79/02/608487902.db2.gz	LIYRWHUESCQTJR-GFCCVEGCSA-N	0	1	381.396	2.089	20	5		GEBDMN
C[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[nH]n2)c1	ZINC000824553995	608488003	/nfs/dbraw/zinc/48/80/03/608488003.db2.gz	LIYRWHUESCQTJR-LBPRGKRZSA-N	0	1	381.396	2.089	20	5		GEBDMN
Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1	ZINC000826272600	608530827	/nfs/dbraw/zinc/53/08/27/608530827.db2.gz	RRZKMUPVTYSNLG-UHFFFAOYSA-N	0	1	393.407	2.301	20	5		GEBDMN
CC[C@@H](NCC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1	ZINC000825143520	608552140	/nfs/dbraw/zinc/55/21/40/608552140.db2.gz	WDPLCSPMFGUKGT-QGZVFWFLSA-N	0	1	395.423	2.132	20	5		GEBDMN
Cc1ccc([C@@H](C)NCC(=O)Nc2sccc2-c2nn[nH]n2)cc1[N+](=O)[O-]	ZINC000826283323	608554030	/nfs/dbraw/zinc/55/40/30/608554030.db2.gz	OQKPPSCNQKJLQT-SNVBAGLBSA-N	0	1	387.425	2.434	20	5		GEBDMN
C[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000824897889	608565150	/nfs/dbraw/zinc/56/51/50/608565150.db2.gz	CKFOBEZTCKDMAC-GRYCIOLGSA-N	0	1	392.441	2.117	20	5		GEBDMN
Cn1cc(CNCc2ccccc2[N+](=O)[O-])c(-c2ccc(-c3nn[nH]n3)cc2)n1	ZINC000826361820	609337971	/nfs/dbraw/zinc/33/79/71/609337971.db2.gz	QSDKXMQBZLMSNV-UHFFFAOYSA-N	0	1	390.407	2.465	20	5		GEBDMN
O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1n[nH]c(C2CC2)n1	ZINC000452423450	650185623	/nfs/dbraw/zinc/18/56/23/650185623.db2.gz	ZSBHCJHCHOIMEJ-UHFFFAOYSA-N	0	1	380.202	2.212	20	5		GEBDMN
NC(=O)[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1cccc(Br)c1	ZINC000506172085	650443978	/nfs/dbraw/zinc/44/39/78/650443978.db2.gz	IBOXUFZVXAXZKN-CYBMUJFWSA-N	0	1	394.181	2.019	20	5		GEBDMN
NC(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1	ZINC000462355653	650476865	/nfs/dbraw/zinc/47/68/65/650476865.db2.gz	GIQDWBOZLATPQZ-CBAPKCEASA-N	0	1	396.252	2.224	20	5		GEBDMN
C[C@H]1C[C@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCN1C	ZINC000462500529	650482098	/nfs/dbraw/zinc/48/20/98/650482098.db2.gz	LAKXNENNNKMFPV-GXSJLCMTSA-N	0	1	392.275	2.118	20	5		GEBDMN
C[C@H](CN1CCCC1=O)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000462541266	650483219	/nfs/dbraw/zinc/48/32/19/650483219.db2.gz	AKJCVUOLVMCRTQ-MRVPVSSYSA-N	0	1	396.252	2.191	20	5		GEBDMN
COC(=O)[C@H](CC(F)(F)F)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000462689365	650488549	/nfs/dbraw/zinc/48/85/49/650488549.db2.gz	OAJLAHDQPYKJOD-ZETCQYMHSA-N	0	1	390.723	2.021	20	5		GEBDMN
COc1cc(CNCCn2cc(Br)cn2)c([N+](=O)[O-])cc1OC	ZINC000513026836	650556762	/nfs/dbraw/zinc/55/67/62/650556762.db2.gz	GSOKDPQMFFDAPD-UHFFFAOYSA-N	0	1	385.218	2.361	20	5		GEBDMN
O=C(NCc1noc(-c2cccc(Br)c2)n1)c1n[nH]cc1[N+](=O)[O-]	ZINC000477146158	650569498	/nfs/dbraw/zinc/56/94/98/650569498.db2.gz	CHXQIIPFATXCAX-UHFFFAOYSA-N	0	1	393.157	2.060	20	5		GEBDMN
Cc1nccc(NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1Cl	ZINC000478327931	650584294	/nfs/dbraw/zinc/58/42/94/650584294.db2.gz	NOQSKPDSFCIGEV-UHFFFAOYSA-N	0	1	384.845	2.301	20	5		GEBDMN
Cc1nnc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)o1	ZINC000533328685	650759794	/nfs/dbraw/zinc/75/97/94/650759794.db2.gz	OXWLNKUVNPQTSS-ZCFIWIBFSA-N	0	1	391.203	2.088	20	5		GEBDMN
C[C@H](CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)N(C)C1CC1	ZINC000066578007	642923081	/nfs/dbraw/zinc/92/30/81/642923081.db2.gz	LXGSQSVCGCMHAQ-SECBINFHSA-N	0	1	392.275	2.118	20	5		GEBDMN
CCN(CCNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C1CC1	ZINC000120201952	643595121	/nfs/dbraw/zinc/59/51/21/643595121.db2.gz	ALAZIIWNWOZLFH-UHFFFAOYSA-N	0	1	392.275	2.120	20	5		GEBDMN
[NH3+]C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000124586055	643687971	/nfs/dbraw/zinc/68/79/71/643687971.db2.gz	FFAGILOFISECEO-KOLCDFICSA-N	0	1	392.275	2.153	20	5		GEBDMN
Cc1cnc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)o1	ZINC000175602999	644392235	/nfs/dbraw/zinc/39/22/35/644392235.db2.gz	GOKRSCPFNIVJNW-UHFFFAOYSA-N	0	1	376.188	2.132	20	5		GEBDMN
CN(C)C[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000268781369	645998495	/nfs/dbraw/zinc/99/84/95/645998495.db2.gz	KLQVZEDJBVBIHL-LLVKDONJSA-N	0	1	392.275	2.072	20	5		GEBDMN
COc1cc(CN[C@@H](C)[C@@H](CO)SC)c([N+](=O)[O-])cc1OCC(F)F	ZINC000272531081	646275915	/nfs/dbraw/zinc/27/59/15/646275915.db2.gz	ZPCOYMZAXUOUIP-LKFCYVNXSA-N	0	1	380.413	2.449	20	5		GEBDMN
CS[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C[C@H]1N1CCCC1	ZINC000332071654	647410158	/nfs/dbraw/zinc/41/01/58/647410158.db2.gz	CNDXOWBQAVHIQZ-HUUCEWRRSA-N	0	1	385.511	2.104	20	5		GEBDMN
CN1CC[C@H]2CCN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)C[C@H]21	ZINC000377882834	647871355	/nfs/dbraw/zinc/87/13/55/647871355.db2.gz	GZKQHNROJBJVPA-TVQRCGJNSA-N	0	1	377.825	2.102	20	5		GEBDMN
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](c2nc[nH]n2)C1	ZINC000378192207	647878572	/nfs/dbraw/zinc/87/85/72/647878572.db2.gz	XRWOFHYDHLUNOF-JTQLQIEISA-N	0	1	385.833	2.243	20	5		GEBDMN
C[C@@H](O)[C@@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	ZINC000419806078	648380502	/nfs/dbraw/zinc/38/05/02/648380502.db2.gz	HKNNTKLLVYSVDI-YMTOWFKASA-N	0	1	385.214	2.449	20	5		GEBDMN
CN(C[C@@H]1CCCN1C)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000420744573	648448337	/nfs/dbraw/zinc/44/83/37/648448337.db2.gz	XPCSYXKOTCYWKT-NSHDSACASA-N	0	1	381.376	2.328	20	5		GEBDMN
CCn1cc(S(=O)(=O)Nc2ccccc2Br)c([N+](=O)[O-])n1	ZINC000435724933	648786424	/nfs/dbraw/zinc/78/64/24/648786424.db2.gz	DYRWDTFDGYIIQV-UHFFFAOYSA-N	0	1	375.204	2.375	20	5		GEBDMN
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1(c2nn[nH]n2)CCCC1	ZINC000555889190	651232203	/nfs/dbraw/zinc/23/22/03/651232203.db2.gz	LAMVTFUWOMAKDU-UHFFFAOYSA-N	0	1	395.217	2.378	20	5		GEBDMN
O=C(CN1CCN(C2CCC2)CC1)Nc1ccc([N+](=O)[O-])cc1Br	ZINC000609631860	651627352	/nfs/dbraw/zinc/62/73/52/651627352.db2.gz	XHMUYTDRIQQUDU-UHFFFAOYSA-N	0	1	397.273	2.466	20	5		GEBDMN
Cn1c2ccccc2sc1=NNS(=O)(=O)c1cc(F)ccc1[N+](=O)[O-]	ZINC000731595822	651629139	/nfs/dbraw/zinc/62/91/39/651629139.db2.gz	ZCQBDMUOIKJFRS-UHFFFAOYSA-N	0	1	382.398	2.081	20	5		GEBDMN
CNC(=O)C1(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCCC1	ZINC000742287212	651973673	/nfs/dbraw/zinc/97/36/73/651973673.db2.gz	CRSJBTZJKNQGHO-UHFFFAOYSA-N	0	1	396.252	2.239	20	5		GEBDMN
COc1ccc(C(=O)Cn2cc(Br)c([N+](=O)[O-])n2)c2c1C(=O)CO2	ZINC000578265304	652257449	/nfs/dbraw/zinc/25/74/49/652257449.db2.gz	JHQILRPIKSLTOD-UHFFFAOYSA-N	0	1	396.153	2.020	20	5		GEBDMN
CN(C)C(=O)C(C)(C)NCc1cc(I)cc([N+](=O)[O-])c1	ZINC000582270287	652443117	/nfs/dbraw/zinc/44/31/17/652443117.db2.gz	SDCVXLVIRVDJAT-UHFFFAOYSA-N	0	1	391.209	2.156	20	5		GEBDMN
O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H](N2CC[C@H](O)C2)C1	ZINC000588864054	652557244	/nfs/dbraw/zinc/55/72/44/652557244.db2.gz	YMCDTXSHJHDKST-OLZOCXBDSA-N	0	1	385.873	2.008	20	5		GEBDMN
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCC[C@H]1CCC[NH2+]1	ZINC000592392528	652593077	/nfs/dbraw/zinc/59/30/77/652593077.db2.gz	GQTVMNWZZSLAJP-LLVKDONJSA-N	0	1	392.275	2.168	20	5		GEBDMN
CCOC(=O)C[C@@H](NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(F)(F)F	ZINC000594697294	652674009	/nfs/dbraw/zinc/67/40/09/652674009.db2.gz	BOXOTORWBMMDME-SNVBAGLBSA-N	0	1	384.332	2.066	20	5		GEBDMN
CCOC(=O)CC1(S(=O)(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1	ZINC000596020229	652747804	/nfs/dbraw/zinc/74/78/04/652747804.db2.gz	GDLJCMQZPKTLNC-UHFFFAOYSA-N	0	1	377.806	2.058	20	5		GEBDMN
C[C@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccnc(Cl)c1	ZINC000765401449	652838096	/nfs/dbraw/zinc/83/80/96/652838096.db2.gz	KXVWWLCLCXKCIJ-NSHDSACASA-N	0	1	384.845	2.272	20	5		GEBDMN
CC[C@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])Oc1ccccc1Cl	ZINC000599250882	652855380	/nfs/dbraw/zinc/85/53/80/652855380.db2.gz	TVMQQGVQTGYCMK-SNVBAGLBSA-N	0	1	388.833	2.118	20	5		GEBDMN
CS[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C[C@H]1N(C)C	ZINC000767314612	652919454	/nfs/dbraw/zinc/91/94/54/652919454.db2.gz	HSVZQOJQVRFOHB-CHWSQXEVSA-N	0	1	393.918	2.223	20	5		GEBDMN
Cc1cc(S(=O)(=O)N(CCN(C)C)Cc2ccccn2)c([N+](=O)[O-])s1	ZINC000601340039	653087217	/nfs/dbraw/zinc/08/72/17/653087217.db2.gz	LPLATSCDKFEMGK-UHFFFAOYSA-N	0	1	384.483	2.112	20	5		GEBDMN
COC(=O)CCOc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1	ZINC000768882328	653135106	/nfs/dbraw/zinc/13/51/06/653135106.db2.gz	GFQJUMBWECILQM-UHFFFAOYSA-N	0	1	386.407	2.399	20	5		GEBDMN
O=C1CCC(c2ccc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)cc2)=NN1	ZINC000768889026	653136231	/nfs/dbraw/zinc/13/62/31/653136231.db2.gz	PQNHKOLCUJTVGB-UHFFFAOYSA-N	0	1	380.407	2.071	20	5		GEBDMN
CNS(=O)(=O)c1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)ccc1O	ZINC000807386627	653191786	/nfs/dbraw/zinc/19/17/86/653191786.db2.gz	YPYVDASUJXRURA-UHFFFAOYSA-N	0	1	385.785	2.114	20	5		GEBDMN
CN(C)C(=O)[C@H]1CC[C@@H](CNCc2cc(Br)c([N+](=O)[O-])s2)O1	ZINC000602584144	653192335	/nfs/dbraw/zinc/19/23/35/653192335.db2.gz	WUKXQVUDJYMARF-GZMMTYOYSA-N	0	1	392.275	2.144	20	5		GEBDMN
CC[N@@H+]1CCC[C@H](C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1	ZINC000809813287	653297786	/nfs/dbraw/zinc/29/77/86/653297786.db2.gz	VPNLVZUHCOLPIZ-SNVBAGLBSA-N	0	1	379.841	2.398	20	5		GEBDMN
CC[N@H+]1CCC[C@H](C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1	ZINC000809813287	653297797	/nfs/dbraw/zinc/29/77/97/653297797.db2.gz	VPNLVZUHCOLPIZ-SNVBAGLBSA-N	0	1	379.841	2.398	20	5		GEBDMN
CO[C@@H](CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(F)(F)F	ZINC000809816059	653299297	/nfs/dbraw/zinc/29/92/97/653299297.db2.gz	BOEPEBVWWMZESJ-VIFPVBQESA-N	0	1	380.703	2.243	20	5		GEBDMN
COC(=O)c1ccc(CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)o1	ZINC000809816547	653299879	/nfs/dbraw/zinc/29/98/79/653299879.db2.gz	JXHITIDYKWKYRB-UHFFFAOYSA-N	0	1	392.748	2.245	20	5		GEBDMN
C[C@](O)(CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(F)(F)F	ZINC000809828621	653304469	/nfs/dbraw/zinc/30/44/69/653304469.db2.gz	PDEGWHPFOMKZRS-VIFPVBQESA-N	0	1	397.158	2.493	20	5		GEBDMN
CS[C@H]1CN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[C@@H]1N(C)C	ZINC000809828974	653304623	/nfs/dbraw/zinc/30/46/23/653304623.db2.gz	WUGHVDKMNLQSHF-RYUDHWBXSA-N	0	1	397.881	2.053	20	5		GEBDMN
CS[C@H]1CN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C[C@@H]1N(C)C	ZINC000779916456	653616420	/nfs/dbraw/zinc/61/64/20/653616420.db2.gz	ASQFOULEWWSEKG-RYUDHWBXSA-N	0	1	393.918	2.223	20	5		GEBDMN
COc1ccncc1CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815047340	653647937	/nfs/dbraw/zinc/64/79/37/653647937.db2.gz	DQKAJRWFPHWSTC-UHFFFAOYSA-N	0	1	375.765	2.269	20	5		GEBDMN
COC(=O)CCNC(=O)CCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-]	ZINC000862527949	653687996	/nfs/dbraw/zinc/68/79/96/653687996.db2.gz	KRSXLUVVBXMOGR-UHFFFAOYSA-N	0	1	378.212	2.061	20	5		GEBDMN
CN(C[C@@H]1CCCN1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000817149852	653704261	/nfs/dbraw/zinc/70/42/61/653704261.db2.gz	INWMMTLPXXZSLT-NSHDSACASA-N	0	1	392.275	2.072	20	5		GEBDMN
CC(C)(C)c1nnc(CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[nH]1	ZINC000841538289	653729809	/nfs/dbraw/zinc/72/98/09/653729809.db2.gz	CTNYFRUCURQFAZ-UHFFFAOYSA-N	0	1	391.812	2.281	20	5		GEBDMN
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCc1n[nH]c(C(C)(C)C)n1	ZINC000841540173	653730109	/nfs/dbraw/zinc/73/01/09/653730109.db2.gz	RKQGAHQLUILDNT-UHFFFAOYSA-N	0	1	387.849	2.451	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N[C@H]1CCCC(F)(F)[C@@H]1O	ZINC000841567096	653735548	/nfs/dbraw/zinc/73/55/48/653735548.db2.gz	ODJRLFZUCKSZLS-GZMMTYOYSA-N	0	1	388.751	2.214	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CC[N@@H+]2CCC[C@H]2C1	ZINC000884957331	653898201	/nfs/dbraw/zinc/89/82/01/653898201.db2.gz	OHDPLSHSTPVLEP-UWVGGRQHSA-N	0	1	377.825	2.292	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CC[N@H+]2CCC[C@H]2C1	ZINC000884957331	653898206	/nfs/dbraw/zinc/89/82/06/653898206.db2.gz	OHDPLSHSTPVLEP-UWVGGRQHSA-N	0	1	377.825	2.292	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1	ZINC000795796331	653966827	/nfs/dbraw/zinc/96/68/27/653966827.db2.gz	OHRDPRBDMYLUES-NEPJUHHUSA-N	0	1	377.825	2.292	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1	ZINC000795796331	653966830	/nfs/dbraw/zinc/96/68/30/653966830.db2.gz	OHRDPRBDMYLUES-NEPJUHHUSA-N	0	1	377.825	2.292	20	5		GEBDMN
COC(=O)C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C1CC1	ZINC000795879675	653974423	/nfs/dbraw/zinc/97/44/23/653974423.db2.gz	GALKCEXUYCJLKA-SNVBAGLBSA-N	0	1	380.781	2.007	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC[C@@H]2COC3(CCCC3)O2)c1	ZINC000795917908	653977180	/nfs/dbraw/zinc/97/71/80/653977180.db2.gz	OROASRYGEMDJFZ-SNVBAGLBSA-N	0	1	394.808	2.351	20	5		GEBDMN
CCOC(=O)[C@@H]1CC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1	ZINC000795973271	653980627	/nfs/dbraw/zinc/98/06/27/653980627.db2.gz	WFXQDZAKOVSDHK-BDAKNGLRSA-N	0	1	394.808	2.397	20	5		GEBDMN
COC(CCCC(C)(C)CNS(=O)(=O)c1ncccc1[N+](=O)[O-])OC	ZINC000849389196	654021154	/nfs/dbraw/zinc/02/11/54/654021154.db2.gz	GNTKYWJHNXINJI-UHFFFAOYSA-N	0	1	375.447	2.084	20	5		GEBDMN
COC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1N	ZINC000798246312	654056532	/nfs/dbraw/zinc/05/65/32/654056532.db2.gz	ANFWZAGEYGUYFC-UHFFFAOYSA-N	0	1	385.785	2.418	20	5		GEBDMN
O=C(NC[C@@H]1CCCCN1C1CC1)c1cc([N+](=O)[O-])ncc1Br	ZINC000830530074	654124316	/nfs/dbraw/zinc/12/43/16/654124316.db2.gz	VKFKFAOMDASVQW-NSHDSACASA-N	0	1	383.246	2.499	20	5		GEBDMN
Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC(CNC(=O)C(F)(F)F)C1	ZINC000831129318	654165812	/nfs/dbraw/zinc/16/58/12/654165812.db2.gz	APUYGLZYUVNLSZ-UHFFFAOYSA-N	0	1	379.722	2.307	20	5		GEBDMN
O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H]2[C@@H]1CCCN2CCO	ZINC000889770370	654171306	/nfs/dbraw/zinc/17/13/06/654171306.db2.gz	ZVATXQULKOAUAH-CABCVRRESA-N	0	1	398.257	2.029	20	5		GEBDMN
C[C@H]1CN(C)C[C@H](C)N1C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000802878630	654249464	/nfs/dbraw/zinc/24/94/64/654249464.db2.gz	XYOQWKSLKMKRLB-RYUDHWBXSA-N	0	1	399.289	2.345	20	5		GEBDMN
CCc1nc(CNS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])co1	ZINC000832473235	654268418	/nfs/dbraw/zinc/26/84/18/654268418.db2.gz	LHBACLSNAIUEEL-UHFFFAOYSA-N	0	1	390.215	2.386	20	5		GEBDMN
CC(C)N1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1	ZINC000832765743	654293996	/nfs/dbraw/zinc/29/39/96/654293996.db2.gz	ZLBUHBJADKLEJE-JTQLQIEISA-N	0	1	379.841	2.491	20	5		GEBDMN
CCN1CCN(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])[C@@H](C)C1	ZINC000804381497	654307928	/nfs/dbraw/zinc/30/79/28/654307928.db2.gz	OTQYSMOOCWKXQP-LBPRGKRZSA-N	0	1	399.289	2.346	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCOC(F)(F)C(F)(F)F)cc1	ZINC000872244941	654319572	/nfs/dbraw/zinc/31/95/72/654319572.db2.gz	VYIBZNUJCMURPS-UHFFFAOYSA-N	0	1	392.302	2.130	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H]2CC[C@H](C(F)(F)F)O2)cc1	ZINC000905515336	654362273	/nfs/dbraw/zinc/36/22/73/654362273.db2.gz	CVJCLQXEDVFSKN-DGCLKSJQSA-N	0	1	382.360	2.068	20	5		GEBDMN
O=[N+]([O-])c1ccc(OC(F)F)c(CNC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1	ZINC000922850763	654416834	/nfs/dbraw/zinc/41/68/34/654416834.db2.gz	CVZGWOGCLMRCGU-VGPLMAKISA-N	0	1	376.381	2.394	20	5		GEBDMN
CN1CC[C@@H]1CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1	ZINC000925422377	654544266	/nfs/dbraw/zinc/54/42/66/654544266.db2.gz	VAKZBCKVVSCJCE-SNVBAGLBSA-N	0	1	383.246	2.129	20	5		GEBDMN
COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1	ZINC001164721067	720341001	/nfs/dbraw/zinc/34/10/01/720341001.db2.gz	ABIZDSNLIDSHOB-IRXDYDNUSA-N	0	1	383.408	2.025	20	5		GEBDMN
Cc1cc([N+](=O)[O-])c(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1Cl	ZINC001164737252	720667897	/nfs/dbraw/zinc/66/78/97/720667897.db2.gz	DUMSXUJEXGDKDC-QWHCGFSZSA-N	0	1	390.831	2.084	20	5		GEBDMN
CC(C)N(C)Cc1cnc2n1CCN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])[C@H]2C	ZINC001164857125	720977945	/nfs/dbraw/zinc/97/79/45/720977945.db2.gz	CLAHACLWLKEARA-LBPRGKRZSA-N	0	1	394.863	2.500	20	5		GEBDMN
Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)n1	ZINC001164764275	721090455	/nfs/dbraw/zinc/09/04/55/721090455.db2.gz	HCWQTRJGSAVCQD-ZIAGYGMSSA-N	0	1	391.863	2.038	20	5		GEBDMN
Cn1cc(CN2CC[C@@H]3CN(c4cnc5cc([N+](=O)[O-])ccc5n4)C[C@H]3C2)cn1	ZINC001164762139	721092033	/nfs/dbraw/zinc/09/20/33/721092033.db2.gz	COSVAUNALWTOQA-HZPDHXFCSA-N	0	1	393.451	2.230	20	5		GEBDMN
Cc1cnc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)c([N+](=O)[O-])c1	ZINC001164886747	721384089	/nfs/dbraw/zinc/38/40/89/721384089.db2.gz	GAYSTFARLHCTIX-YLJYHZDGSA-N	0	1	389.500	2.064	20	5		GEBDMN
Cc1ccnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-]	ZINC001164977264	722105960	/nfs/dbraw/zinc/10/59/60/722105960.db2.gz	FNFKRDVONFIISE-MSOLQXFVSA-N	0	1	383.452	2.421	20	5		GEBDMN
Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1NS(C)(=O)=O	ZINC000064373937	531865130	/nfs/dbraw/zinc/86/51/30/531865130.db2.gz	CCJAXHAKZLKRIC-UHFFFAOYSA-N	0	1	385.423	2.076	20	5		GEBDMN
O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000178601744	532206954	/nfs/dbraw/zinc/20/69/54/532206954.db2.gz	KKYMTLBUIDVUQY-LBPRGKRZSA-N	0	1	398.257	2.152	20	5		GEBDMN
CCC(=O)N1CC[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1	ZINC000133240089	532229901	/nfs/dbraw/zinc/22/99/01/532229901.db2.gz	ZRGCQMZIMBXZOZ-VIFPVBQESA-N	0	1	396.252	2.191	20	5		GEBDMN
Cc1ccc([C@H](C)NC[C@H](O)CS(=O)(=O)c2cccs2)cc1[N+](=O)[O-]	ZINC000181633661	532304022	/nfs/dbraw/zinc/30/40/22/532304022.db2.gz	NJEJRPXAKOYLJQ-JSGCOSHPSA-N	0	1	384.479	2.450	20	5		GEBDMN
O=[N+]([O-])c1cc(Br)ccc1CN1CCN([C@@H]2CCC[C@H]2O)CC1	ZINC000591843208	532426739	/nfs/dbraw/zinc/42/67/39/532426739.db2.gz	IMHSAQXSPXIZHB-GDBMZVCRSA-N	0	1	384.274	2.388	20	5		GEBDMN
CNS(=O)(=O)c1ccc(O)c(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1	ZINC000427912727	532436372	/nfs/dbraw/zinc/43/63/72/532436372.db2.gz	JAKSXXVQDPLWIQ-UHFFFAOYSA-N	0	1	385.785	2.114	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCCC[C@H]2c2nnc[nH]2)cc1Cl	ZINC000296286776	532512212	/nfs/dbraw/zinc/51/22/12/532512212.db2.gz	RJHPWFYWVOPODO-JTQLQIEISA-N	0	1	389.796	2.421	20	5		GEBDMN
CCOC(=O)C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(F)(F)F	ZINC000594701248	532520597	/nfs/dbraw/zinc/52/05/97/532520597.db2.gz	XTVOOVUDIORGFE-QMMMGPOBSA-N	0	1	390.361	2.127	20	5		GEBDMN
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)CN1CCN(C)CC1	ZINC000283313800	532532132	/nfs/dbraw/zinc/53/21/32/532532132.db2.gz	FDWSJIFRUXNKOP-LLVKDONJSA-N	0	1	399.289	2.031	20	5		GEBDMN
O=C([C@H]1C[C@@H]1c1nc[nH]n1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1	ZINC000375867820	532584569	/nfs/dbraw/zinc/58/45/69/532584569.db2.gz	RCNNFQILGAWVMP-UWVGGRQHSA-N	0	1	392.213	2.164	20	5		GEBDMN
Cc1c(Br)cc(S(=O)(=O)N2CCN[C@@H](C)[C@H]2C)cc1[N+](=O)[O-]	ZINC000262751708	532599869	/nfs/dbraw/zinc/59/98/69/532599869.db2.gz	GPAWNHNACJWAMX-VHSXEESVSA-N	0	1	392.275	2.037	20	5		GEBDMN
Cc1cc(Cl)ccc1OCCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599217990	532653435	/nfs/dbraw/zinc/65/34/35/532653435.db2.gz	KLMJYUGIKRTABA-UHFFFAOYSA-N	0	1	388.833	2.038	20	5		GEBDMN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2(c3ccc(Cl)cc3)CCC2)n1	ZINC000599231366	532654958	/nfs/dbraw/zinc/65/49/58/532654958.db2.gz	ZWKNQIXTPMVFDQ-UHFFFAOYSA-N	0	1	384.845	2.382	20	5		GEBDMN
CC(C)(C)[S@](=O)CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000285188415	532656982	/nfs/dbraw/zinc/65/69/82/532656982.db2.gz	NLOZHZLNDNKDFP-JOCHJYFZSA-N	0	1	386.854	2.213	20	5		GEBDMN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC2(Cc3ccc(Cl)cc3)CCC2)n1	ZINC000599311954	532658289	/nfs/dbraw/zinc/65/82/89/532658289.db2.gz	OBNATQWMEVCXDU-UHFFFAOYSA-N	0	1	384.845	2.425	20	5		GEBDMN
Cn1cc(CCCNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cn1	ZINC000285210281	532658619	/nfs/dbraw/zinc/65/86/19/532658619.db2.gz	PEEUYKSHDQWAOI-UHFFFAOYSA-N	0	1	376.797	2.032	20	5		GEBDMN
COCCN1CCC[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1	ZINC000599370760	532659530	/nfs/dbraw/zinc/65/95/30/532659530.db2.gz	JULFKFZDIXFTCS-NSHDSACASA-N	0	1	386.246	2.198	20	5		GEBDMN
O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[C@H](c2n[nH]c(=O)o2)C1	ZINC000599888897	532669913	/nfs/dbraw/zinc/66/99/13/532669913.db2.gz	KIUWSSBJKCHQJK-QMMMGPOBSA-N	0	1	397.185	2.466	20	5		GEBDMN
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccc(S(C)(=O)=O)c1	ZINC000481960225	532670088	/nfs/dbraw/zinc/67/00/88/532670088.db2.gz	SOZZMOGMOIIGJM-UHFFFAOYSA-N	0	1	384.435	2.416	20	5		GEBDMN
Cc1ccccc1-c1nc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)no1	ZINC000438900293	532678965	/nfs/dbraw/zinc/67/89/65/532678965.db2.gz	WLMNVUMGCNDWQJ-UHFFFAOYSA-N	0	1	380.407	2.493	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1cccc(S(C)(=O)=O)c1	ZINC000536895251	532699071	/nfs/dbraw/zinc/69/90/71/532699071.db2.gz	YXPTYLIEGOXDIF-UHFFFAOYSA-N	0	1	384.435	2.416	20	5		GEBDMN
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CCO[C@@]2(CCSC2)C1	ZINC000269151584	532775772	/nfs/dbraw/zinc/77/57/72/532775772.db2.gz	SGEPXHQHYHEASU-HZMBPMFUSA-N	0	1	376.431	2.067	20	5		GEBDMN
Cc1nc(CN2CCN(c3ccc([N+](=O)[O-])cc3Br)CC2)n[nH]1	ZINC000302134038	532768016	/nfs/dbraw/zinc/76/80/16/532768016.db2.gz	HJDQKIGPUNWPGS-UHFFFAOYSA-N	0	1	381.234	2.106	20	5		GEBDMN
O=[N+]([O-])c1cncc(Br)c1N1CCC(CN2CCOCC2)CC1	ZINC000270376139	532797243	/nfs/dbraw/zinc/79/72/43/532797243.db2.gz	OBKZJCQMCGNPMS-UHFFFAOYSA-N	0	1	385.262	2.301	20	5		GEBDMN
Cc1nc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1[C@@H](C)O	ZINC000273590396	532827595	/nfs/dbraw/zinc/82/75/95/532827595.db2.gz	QGIDKUXDJHQDAZ-SNVBAGLBSA-N	0	1	385.829	2.483	20	5		GEBDMN
COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C1CC1)C(F)(F)F	ZINC000288692911	532835448	/nfs/dbraw/zinc/83/54/48/532835448.db2.gz	VRJOLCAKFRINCC-LLVKDONJSA-N	0	1	382.316	2.001	20	5		GEBDMN
COC(=O)c1ncsc1S(=O)(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1	ZINC000274116466	532841432	/nfs/dbraw/zinc/84/14/32/532841432.db2.gz	DUVYCDYKVBPMCM-VIFPVBQESA-N	0	1	385.423	2.186	20	5		GEBDMN
COC(=O)[C@H](CC(F)(F)F)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000274206076	532844345	/nfs/dbraw/zinc/84/43/45/532844345.db2.gz	PEJSDMUVVNYLCJ-ZETCQYMHSA-N	0	1	390.723	2.021	20	5		GEBDMN
Cc1[nH]nc(C(=O)N2CCC(n3cc(Br)cn3)CC2)c1[N+](=O)[O-]	ZINC000331916396	532846652	/nfs/dbraw/zinc/84/66/52/532846652.db2.gz	LLTIHJVJCRXOOO-UHFFFAOYSA-N	0	1	383.206	2.063	20	5		GEBDMN
CS[C@@H]1CN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1N1CCCC1	ZINC000332089390	532849073	/nfs/dbraw/zinc/84/90/73/532849073.db2.gz	UOYYEWUCIRQPBT-JKSUJKDBSA-N	0	1	385.511	2.104	20	5		GEBDMN
COCCOCCN(C)Cc1cc(I)cc([N+](=O)[O-])c1	ZINC000289689753	532863101	/nfs/dbraw/zinc/86/31/01/532863101.db2.gz	IAQYTSODXSXIKM-UHFFFAOYSA-N	0	1	394.209	2.294	20	5		GEBDMN
Cc1noc(C(C)(C)NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)n1	ZINC000289927454	532868186	/nfs/dbraw/zinc/86/81/86/532868186.db2.gz	RAQFNAPKVYPKQA-UHFFFAOYSA-N	0	1	378.769	2.292	20	5		GEBDMN
CS(=O)(=O)N1CCC[C@@H]1CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-]	ZINC000290903087	532892172	/nfs/dbraw/zinc/89/21/72/532892172.db2.gz	OEZCDRGQTWFOAS-LLVKDONJSA-N	0	1	382.269	2.415	20	5		GEBDMN
C[C@@H](CN1CCN(C)CC1)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-]	ZINC000291500398	532903225	/nfs/dbraw/zinc/90/32/25/532903225.db2.gz	MPSUJMXLCYFTSM-JTQLQIEISA-N	0	1	375.256	2.267	20	5		GEBDMN
O=C(N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@H]1CC1[N+](=O)[O-]	ZINC000370471666	532943613	/nfs/dbraw/zinc/94/36/13/532943613.db2.gz	LPVNXMXIHWGTDD-WCABBAIRSA-N	0	1	378.738	2.114	20	5		GEBDMN
O=C([O-])C[N@@H+]1CCC[C@@H]1COC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000821532848	598067202	/nfs/dbraw/zinc/06/72/02/598067202.db2.gz	VWJIRBNMPRUFNP-CYBMUJFWSA-N	0	1	391.405	2.424	20	5		GEBDMN
O=C([O-])C[N@H+]1CCC[C@@H]1COC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000821532848	598067206	/nfs/dbraw/zinc/06/72/06/598067206.db2.gz	VWJIRBNMPRUFNP-CYBMUJFWSA-N	0	1	391.405	2.424	20	5		GEBDMN
Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)cc2F)cc1C	ZINC000822212796	607328117	/nfs/dbraw/zinc/32/81/17/607328117.db2.gz	HUGAJDAPRMWSIC-UHFFFAOYSA-N	0	1	392.372	2.332	20	5		GEBDMN
C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(-c2nn[nH]n2)c1	ZINC000820403800	599526199	/nfs/dbraw/zinc/52/61/99/599526199.db2.gz	MUECTFGKDOMAFS-SECBINFHSA-N	0	1	378.352	2.142	20	5		GEBDMN
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-]	ZINC000737346844	599708694	/nfs/dbraw/zinc/70/86/94/599708694.db2.gz	DHGYJBFCRUZGNF-GQSKFBFOSA-N	0	1	390.440	2.047	20	5		GEBDMN
CCOCC[N@H+]1CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1CC	ZINC000737177921	600259786	/nfs/dbraw/zinc/25/97/86/600259786.db2.gz	WLJRZRXXPHDDNA-LBPRGKRZSA-N	0	1	396.400	2.138	20	5		GEBDMN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC000738069131	600311325	/nfs/dbraw/zinc/31/13/25/600311325.db2.gz	YEQIHPNHKUFFBJ-AAEUAGOBSA-N	0	1	377.397	2.117	20	5		GEBDMN
C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000736754738	600431875	/nfs/dbraw/zinc/43/18/75/600431875.db2.gz	FTYVCSFKORMQBF-HZSPNIEDSA-N	0	1	392.456	2.188	20	5		GEBDMN
CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[C@@H](C)C1	ZINC000737168693	600610987	/nfs/dbraw/zinc/61/09/87/600610987.db2.gz	VSOMFHMVLFHZSF-GUYCJALGSA-N	0	1	393.440	2.160	20	5		GEBDMN
O=C([O-])[C@]1(NC(=O)c2ccccc2[N+](=O)[O-])CCC[N@@H+](Cc2ccccc2)C1	ZINC000833128453	601741630	/nfs/dbraw/zinc/74/16/30/601741630.db2.gz	GSAGPTXUUKQYGO-FQEVSTJZSA-N	0	1	383.404	2.444	20	5		GEBDMN
CCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCN(C(=O)[O-])C1	ZINC000739351832	602546356	/nfs/dbraw/zinc/54/63/56/602546356.db2.gz	AABZBVPVGCPUHZ-ZDUSSCGKSA-N	0	1	380.401	2.006	20	5		GEBDMN
CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCN(C(=O)[O-])C1	ZINC000739351832	602546357	/nfs/dbraw/zinc/54/63/57/602546357.db2.gz	AABZBVPVGCPUHZ-ZDUSSCGKSA-N	0	1	380.401	2.006	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)Oc2cccc3cccnc32)c1-c1nn[nH]n1	ZINC000826500297	607572661	/nfs/dbraw/zinc/57/26/61/607572661.db2.gz	SJCUQKSWFKTRFU-UHFFFAOYSA-N	0	1	398.360	2.091	20	5		GEBDMN
CCCCN([C@@H](C)CC)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000825282164	607587046	/nfs/dbraw/zinc/58/70/46/607587046.db2.gz	OZOSYJYYJPTMMD-NSHDSACASA-N	0	1	382.446	2.364	20	5		GEBDMN
CCC1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1	ZINC000825193991	607591941	/nfs/dbraw/zinc/59/19/41/607591941.db2.gz	OFWGXVFKVAOOEN-UHFFFAOYSA-N	0	1	380.430	2.022	20	5		GEBDMN
CCC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000825251565	607606262	/nfs/dbraw/zinc/60/62/62/607606262.db2.gz	CLJKAEGSYAMGRK-NEPJUHHUSA-N	0	1	394.457	2.412	20	5		GEBDMN
C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1CCC(NC(=O)[O-])CC1	ZINC000828305210	603838843	/nfs/dbraw/zinc/83/88/43/603838843.db2.gz	FTNPYGDCLIVEDS-UHFFFAOYSA-N	0	1	392.412	2.403	20	5		GEBDMN
Cn1cc(C[N@H+]2CCCN(c3cc(Cl)c(C(=O)[O-])cc3[N+](=O)[O-])CC2)cn1	ZINC000833046826	604264011	/nfs/dbraw/zinc/26/40/11/604264011.db2.gz	VHQBJNGKEVLWEB-UHFFFAOYSA-N	0	1	393.831	2.392	20	5		GEBDMN
C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-]	ZINC000833590085	604838770	/nfs/dbraw/zinc/83/87/70/604838770.db2.gz	ZEHUXSBLDAXRIN-RYUDHWBXSA-N	0	1	381.454	2.326	20	5		GEBDMN
C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-]	ZINC000833590085	604838771	/nfs/dbraw/zinc/83/87/71/604838771.db2.gz	ZEHUXSBLDAXRIN-RYUDHWBXSA-N	0	1	381.454	2.326	20	5		GEBDMN
C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1	ZINC000833627084	605053237	/nfs/dbraw/zinc/05/32/37/605053237.db2.gz	TVOMLRQIIUJZCA-HNNXBMFYSA-N	0	1	392.456	2.108	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C1CC1)[C@@H]1CCN(C(=O)[O-])C1	ZINC000833907859	605777076	/nfs/dbraw/zinc/77/70/76/605777076.db2.gz	VYRBMVAVZXIGFX-OAHLLOKOSA-N	0	1	376.413	2.449	20	5		GEBDMN
O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)N1CCc2cc([N+](=O)[O-])ccc21	ZINC000832235009	605942748	/nfs/dbraw/zinc/94/27/48/605942748.db2.gz	SPGJEKDKTSMVAU-GOOCMWNKSA-N	0	1	388.424	2.137	20	5		GEBDMN
O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)N1CCc2cc([N+](=O)[O-])ccc21	ZINC000832235009	605942751	/nfs/dbraw/zinc/94/27/51/605942751.db2.gz	SPGJEKDKTSMVAU-GOOCMWNKSA-N	0	1	388.424	2.137	20	5		GEBDMN
CC1CC[NH+](C[C@@H]2CCCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)CC1	ZINC000820723031	606704552	/nfs/dbraw/zinc/70/45/52/606704552.db2.gz	UHTBFFGQTKTDEE-AWEZNQCLSA-N	0	1	386.460	2.118	20	5		GEBDMN
CC1CC[NH+](C[C@@H]2CCCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)CC1	ZINC000820723031	606704554	/nfs/dbraw/zinc/70/45/54/606704554.db2.gz	UHTBFFGQTKTDEE-AWEZNQCLSA-N	0	1	386.460	2.118	20	5		GEBDMN
CC(C)(C)C[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000819907881	606731656	/nfs/dbraw/zinc/73/16/56/606731656.db2.gz	RYNBALJVQUDGEO-NSHDSACASA-N	0	1	394.457	2.364	20	5		GEBDMN
CC(C)(C)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1	ZINC000819907390	606733725	/nfs/dbraw/zinc/73/37/25/606733725.db2.gz	NZFYEZASAYJCHF-UHFFFAOYSA-N	0	1	394.457	2.222	20	5		GEBDMN
CC(C)CC[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000820072733	607143547	/nfs/dbraw/zinc/14/35/47/607143547.db2.gz	LWBXBYDYQSSTOA-LBPRGKRZSA-N	0	1	394.457	2.364	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H](c1ccccc1)[NH+]1CCCC1	ZINC000823620005	607163083	/nfs/dbraw/zinc/16/30/83/607163083.db2.gz	FYQZIIDVTCFQOM-OAHLLOKOSA-N	0	1	380.412	2.419	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H](c1ccccc1)[NH+]1CCCC1	ZINC000823620005	607163085	/nfs/dbraw/zinc/16/30/85/607163085.db2.gz	FYQZIIDVTCFQOM-OAHLLOKOSA-N	0	1	380.412	2.419	20	5		GEBDMN
COc1ccc(NC(=O)CN[C@H](C)c2cccc(-c3nn[nH]n3)c2)c([N+](=O)[O-])c1	ZINC000826209467	608493986	/nfs/dbraw/zinc/49/39/86/608493986.db2.gz	CWBYVNBPMUVNGW-LLVKDONJSA-N	0	1	397.395	2.073	20	5		GEBDMN
O=[N+]([O-])c1ccc(O)cc1CN1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1	ZINC000826499217	608852259	/nfs/dbraw/zinc/85/22/59/608852259.db2.gz	ZXJUACHTEALQKR-KRWDZBQOSA-N	0	1	382.380	2.054	20	5		GEBDMN
C[C@@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCN1C	ZINC000447024676	649994694	/nfs/dbraw/zinc/99/46/94/649994694.db2.gz	AIXYNNOXQYFWCR-NXEZZACHSA-N	0	1	392.275	2.118	20	5		GEBDMN
C[C@@H]1CN(CCO)CCN1c1c2cc(Br)ccc2ncc1[N+](=O)[O-]	ZINC000450955384	650076465	/nfs/dbraw/zinc/07/64/65/650076465.db2.gz	PIFUOVGDHXXJDK-LLVKDONJSA-N	0	1	395.257	2.408	20	5		GEBDMN
NC(=O)[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1cccc(Br)c1	ZINC000506172086	650444003	/nfs/dbraw/zinc/44/40/03/650444003.db2.gz	IBOXUFZVXAXZKN-ZDUSSCGKSA-N	0	1	394.181	2.019	20	5		GEBDMN
CN(C)C(=O)CCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000462522878	650482853	/nfs/dbraw/zinc/48/28/53/650482853.db2.gz	FCGBQICHASHEGI-UHFFFAOYSA-N	0	1	384.241	2.048	20	5		GEBDMN
Cc1ccc(S(=O)(=O)Nc2cc(S(C)(=O)=O)ccc2F)c([N+](=O)[O-])c1	ZINC000509567780	650496457	/nfs/dbraw/zinc/49/64/57/650496457.db2.gz	KKGWQXRBVJFOJE-UHFFFAOYSA-N	0	1	388.398	2.247	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1ncccc1O	ZINC000480740294	650630156	/nfs/dbraw/zinc/63/01/56/650630156.db2.gz	KTLAIBZKZSDPFI-UHFFFAOYSA-N	0	1	378.193	2.481	20	5		GEBDMN
CCn1cc(S(=O)(=O)[N-]c2ccc(C[NH+](C)C)c(Cl)c2)c([N+](=O)[O-])n1	ZINC000481884313	650655499	/nfs/dbraw/zinc/65/54/99/650655499.db2.gz	BREKQARHRPCYMF-UHFFFAOYSA-N	0	1	387.849	2.327	20	5		GEBDMN
CNS(=O)(=O)c1ccc(NC[C@H](c2ccsc2)N(C)C)c([N+](=O)[O-])c1	ZINC000045733257	642595023	/nfs/dbraw/zinc/59/50/23/642595023.db2.gz	ZMUMBWVMLMVJSV-OAHLLOKOSA-N	0	1	384.483	2.279	20	5		GEBDMN
O=C1NCCc2ccc(S(=O)(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc21	ZINC000116158491	643453896	/nfs/dbraw/zinc/45/38/96/643453896.db2.gz	DJQODIXTQPTVEI-UHFFFAOYSA-N	0	1	381.797	2.335	20	5		GEBDMN
[NH3+]C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C1CCCC1	ZINC000194776415	645348376	/nfs/dbraw/zinc/34/83/76/645348376.db2.gz	NFRVEWHUCYXOKY-NSHDSACASA-N	0	1	392.275	2.153	20	5		GEBDMN
C[C@H](C[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000263494526	645666677	/nfs/dbraw/zinc/66/66/77/645666677.db2.gz	JJRWKCCHAQVGML-MRVPVSSYSA-N	0	1	378.166	2.352	20	5		GEBDMN
CN(C)C[C@@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000269332826	646027141	/nfs/dbraw/zinc/02/71/41/646027141.db2.gz	CMYSLPWFPNHANP-NSHDSACASA-N	0	1	392.275	2.072	20	5		GEBDMN
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CCOC2(CCSCC2)C1	ZINC000269338110	646027702	/nfs/dbraw/zinc/02/77/02/646027702.db2.gz	OIRCSTFMMVHWSM-LLVKDONJSA-N	0	1	390.458	2.457	20	5		GEBDMN
Cc1nn(C)cc1[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000281112810	646746888	/nfs/dbraw/zinc/74/68/88/646746888.db2.gz	GOYUQYDUSUEXPE-MRVPVSSYSA-N	0	1	376.797	2.469	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC2CCC3(CC2)OCCO3)c1	ZINC000281156262	646749992	/nfs/dbraw/zinc/74/99/92/646749992.db2.gz	LAHSTXKRQLYOOQ-UHFFFAOYSA-N	0	1	394.808	2.351	20	5		GEBDMN
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)C[C@H](C)c1nn[nH]n1	ZINC000286147616	646867466	/nfs/dbraw/zinc/86/74/66/646867466.db2.gz	RQAVZTIESHEOLZ-ZETCQYMHSA-N	0	1	383.206	2.055	20	5		GEBDMN
CN(C)C[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000331316367	647379974	/nfs/dbraw/zinc/37/99/74/647379974.db2.gz	AEPBTNSRPSESTE-LLVKDONJSA-N	0	1	392.275	2.072	20	5		GEBDMN
CN(C)C[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000331316368	647380031	/nfs/dbraw/zinc/38/00/31/647380031.db2.gz	AEPBTNSRPSESTE-NSHDSACASA-N	0	1	392.275	2.072	20	5		GEBDMN
CN(C[C@@H]1CCCN1C)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000420762627	648453453	/nfs/dbraw/zinc/45/34/53/648453453.db2.gz	IHBKVNWAWHMWJE-NSHDSACASA-N	0	1	392.275	2.072	20	5		GEBDMN
COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(N)c([N+](=O)[O-])c1	ZINC000753773595	652414986	/nfs/dbraw/zinc/41/49/86/652414986.db2.gz	VNPCOLZLLBJWFR-UHFFFAOYSA-N	0	1	385.785	2.418	20	5		GEBDMN
C[C@@H](CC[NH+](C)C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000757743998	652521486	/nfs/dbraw/zinc/52/14/86/652521486.db2.gz	CDNKIXNROFFHMI-QMMMGPOBSA-N	0	1	398.254	2.115	20	5		GEBDMN
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@@H](CO)c1ccc(Cl)cc1	ZINC000588144258	652549308	/nfs/dbraw/zinc/54/93/08/652549308.db2.gz	BQOMYZOUZLETBW-NSHDSACASA-N	0	1	388.804	2.442	20	5		GEBDMN
O=C(NCc1n[nH]c([C@@H]2CCCO2)n1)c1ccc([N+](=O)[O-])cc1Br	ZINC000594385813	652646711	/nfs/dbraw/zinc/64/67/11/652646711.db2.gz	PLGPAFNFEUPCSI-NSHDSACASA-N	0	1	396.201	2.257	20	5		GEBDMN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCc2ccc(Cl)cc2Cl)n1	ZINC000599207154	652854274	/nfs/dbraw/zinc/85/42/74/652854274.db2.gz	QCTLRAXVWVBMBR-UHFFFAOYSA-N	0	1	379.225	2.156	20	5		GEBDMN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)n1	ZINC000599248653	652854806	/nfs/dbraw/zinc/85/48/06/652854806.db2.gz	PPXSXCLBZBEWME-MRVPVSSYSA-N	0	1	393.208	2.047	20	5		GEBDMN
COC1CCN(CCNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1	ZINC000599642514	652881473	/nfs/dbraw/zinc/88/14/73/652881473.db2.gz	HUQCGCHZUMWKNH-UHFFFAOYSA-N	0	1	386.246	2.198	20	5		GEBDMN
COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(Br)cc1[N+](=O)[O-]	ZINC000767869827	652957397	/nfs/dbraw/zinc/95/73/97/652957397.db2.gz	OQZOSZZMYVRCPM-LLVKDONJSA-N	0	1	386.227	2.323	20	5		GEBDMN
O=[N+]([O-])c1cc(S(=O)(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)cs1	ZINC000768836092	653129482	/nfs/dbraw/zinc/12/94/82/653129482.db2.gz	URKVEIHAFUYQFS-UHFFFAOYSA-N	0	1	383.386	2.059	20	5		GEBDMN
O=[N+]([O-])c1cc(S(=O)(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)cs1	ZINC000768836092	653129487	/nfs/dbraw/zinc/12/94/87/653129487.db2.gz	URKVEIHAFUYQFS-UHFFFAOYSA-N	0	1	383.386	2.059	20	5		GEBDMN
O=C(CSc1n[nH]c(=S)s1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1	ZINC000769601547	653165447	/nfs/dbraw/zinc/16/54/47/653165447.db2.gz	SFMFCPNVYBDGSI-UHFFFAOYSA-N	0	1	382.452	2.020	20	5		GEBDMN
CN(C)C(=O)[C@H]1CC[C@H](CNCc2cc(Br)c([N+](=O)[O-])s2)O1	ZINC000602584147	653192245	/nfs/dbraw/zinc/19/22/45/653192245.db2.gz	WUKXQVUDJYMARF-LDYMZIIASA-N	0	1	392.275	2.144	20	5		GEBDMN
O=[N+]([O-])c1ccn(CCN2CC[C@@H](Oc3cncc(Br)c3)C2)n1	ZINC000602886066	653212434	/nfs/dbraw/zinc/21/24/34/653212434.db2.gz	IUUUQVODAFRADI-GFCCVEGCSA-N	0	1	382.218	2.102	20	5		GEBDMN
CS[C@@H]1CN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[C@@H]1N(C)C	ZINC000809828973	653304647	/nfs/dbraw/zinc/30/46/47/653304647.db2.gz	WUGHVDKMNLQSHF-NWDGAFQWSA-N	0	1	397.881	2.053	20	5		GEBDMN
CC(C)(C)c1nc(CNC(=O)c2cc([N+](=O)[O-])ncc2Br)n[nH]1	ZINC000837939951	653477546	/nfs/dbraw/zinc/47/75/46/653477546.db2.gz	KSPULGDXVAUVDO-UHFFFAOYSA-N	0	1	383.206	2.098	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H]1CC[N@@H+](C2CC2)C1	ZINC000814987195	653641962	/nfs/dbraw/zinc/64/19/62/653641962.db2.gz	LLKMWLCXRYIHCR-SECBINFHSA-N	0	1	377.825	2.150	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H]1CC[N@H+](C2CC2)C1	ZINC000814987195	653641966	/nfs/dbraw/zinc/64/19/66/653641966.db2.gz	LLKMWLCXRYIHCR-SECBINFHSA-N	0	1	377.825	2.150	20	5		GEBDMN
C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C[NH+]1CCCC1	ZINC000814994202	653642315	/nfs/dbraw/zinc/64/23/15/653642315.db2.gz	JZVCXABTEWLUIV-SNVBAGLBSA-N	0	1	379.841	2.398	20	5		GEBDMN
CC(C)n1cnnc1CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000840950180	653703182	/nfs/dbraw/zinc/70/31/82/653703182.db2.gz	GIHVTJIPZUGKBI-UHFFFAOYSA-N	0	1	377.785	2.038	20	5		GEBDMN
CN(C)CCN(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000840951804	653703453	/nfs/dbraw/zinc/70/34/53/653703453.db2.gz	BKIXRISFJWHEPX-UHFFFAOYSA-N	0	1	392.275	2.072	20	5		GEBDMN
C[NH+](C)CC(C)(C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000841529821	653728127	/nfs/dbraw/zinc/72/81/27/653728127.db2.gz	OZHIZLOBGOWHLT-UHFFFAOYSA-N	0	1	398.254	2.115	20	5		GEBDMN
CC(C)(C)[C@H](C[NH3+])[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000842483802	653758211	/nfs/dbraw/zinc/75/82/11/653758211.db2.gz	QKRXMKQMVVGQIS-NSHDSACASA-N	0	1	380.264	2.009	20	5		GEBDMN
CN1CC[C@@H](N2CCC(Nc3cccc(Br)c3[N+](=O)[O-])CC2)C1=O	ZINC000865885887	653778718	/nfs/dbraw/zinc/77/87/18/653778718.db2.gz	BJIYBYPVNPJUEV-CQSZACIVSA-N	0	1	397.273	2.464	20	5		GEBDMN
CN1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)[C@@H](Cc2ccccc2)C1	ZINC000844743433	653816107	/nfs/dbraw/zinc/81/61/07/653816107.db2.gz	XNJZWRQUAACGGF-AWEZNQCLSA-N	0	1	394.273	2.370	20	5		GEBDMN
CCCN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1	ZINC000823499973	653870175	/nfs/dbraw/zinc/87/01/75/653870175.db2.gz	QTRKEICPHJQKHM-LLVKDONJSA-N	0	1	385.262	2.496	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl	ZINC000884955723	653897914	/nfs/dbraw/zinc/89/79/14/653897914.db2.gz	VPVWGOZBYBNZLB-UWVGGRQHSA-N	0	1	377.825	2.292	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Cl	ZINC000884955723	653897916	/nfs/dbraw/zinc/89/79/16/653897916.db2.gz	VPVWGOZBYBNZLB-UWVGGRQHSA-N	0	1	377.825	2.292	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl	ZINC000884955723	653897920	/nfs/dbraw/zinc/89/79/20/653897920.db2.gz	VPVWGOZBYBNZLB-UWVGGRQHSA-N	0	1	377.825	2.292	20	5		GEBDMN
CC(C)(C)N1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1=O	ZINC000795866017	653972550	/nfs/dbraw/zinc/97/25/50/653972550.db2.gz	GCFHKSDQQSRUOR-MRVPVSSYSA-N	0	1	393.824	2.065	20	5		GEBDMN
CC(C)(C)N1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1=O	ZINC000795866018	653972802	/nfs/dbraw/zinc/97/28/02/653972802.db2.gz	GCFHKSDQQSRUOR-QMMMGPOBSA-N	0	1	393.824	2.065	20	5		GEBDMN
O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H]2[C@H]1CCCN2CCO	ZINC000889763903	654170028	/nfs/dbraw/zinc/17/00/28/654170028.db2.gz	OVXYKOZLIIUGQH-LSDHHAIUSA-N	0	1	398.257	2.029	20	5		GEBDMN
O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@H]2[C@H]1CCCN2CCO	ZINC000889767606	654170763	/nfs/dbraw/zinc/17/07/63/654170763.db2.gz	IDIOFLUYUMKGOW-UONOGXRCSA-N	0	1	398.257	2.029	20	5		GEBDMN
C[C@@H]1CN(C)[C@@H](C)CN1C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000802979423	654253520	/nfs/dbraw/zinc/25/35/20/654253520.db2.gz	YNCKWLBUPWCJOS-NWDGAFQWSA-N	0	1	399.289	2.345	20	5		GEBDMN
Cc1ccc(C)c(S(=O)(=O)N[C@H]([C@@H]2CCOC2)C(F)(F)F)c1[N+](=O)[O-]	ZINC000921856089	654332105	/nfs/dbraw/zinc/33/21/05/654332105.db2.gz	JSPKJAAFYMNXQQ-ZWNOBZJWSA-N	0	1	382.360	2.457	20	5		GEBDMN
O=[N+]([O-])c1cnc2cc(Br)ccc2c1N1CC(N2CC[C@@H](O)C2)C1	ZINC000894349781	654467601	/nfs/dbraw/zinc/46/76/01/654467601.db2.gz	OSJPGURVTZCDOQ-GFCCVEGCSA-N	0	1	393.241	2.161	20	5		GEBDMN
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@H]1CCN2Cc1cccnc1	ZINC001164727877	720409425	/nfs/dbraw/zinc/40/94/25/720409425.db2.gz	SAICEVHMAWEEFH-ZWKOTPCHSA-N	0	1	397.435	2.415	20	5		GEBDMN
Cn1cc(CN2CC[C@@H]3CN(c4nccc(Cl)c4[N+](=O)[O-])C[C@@H]3C2)cn1	ZINC001164765845	721077005	/nfs/dbraw/zinc/07/70/05/721077005.db2.gz	JXVNMJLKURPJJB-KGLIPLIRSA-N	0	1	376.848	2.335	20	5		GEBDMN
COc1cc(C)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-]	ZINC001164864040	721080399	/nfs/dbraw/zinc/08/03/99/721080399.db2.gz	DQLQMKIEWXHFJA-DLBZAZTESA-N	0	1	399.451	2.182	20	5		GEBDMN
O=[N+]([O-])c1cc(-c2ccc(N3C[C@H]4CN(CC5CC5)C[C@@H](C3)O4)nn2)ccc1F	ZINC001164967406	722076731	/nfs/dbraw/zinc/07/67/31/722076731.db2.gz	FAKBUBZVYWWVHF-IYBDPMFKSA-N	0	1	399.426	2.490	20	5		GEBDMN
CCS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1	ZINC000030530255	531638461	/nfs/dbraw/zinc/63/84/61/531638461.db2.gz	KNHLPVUZMZOQPP-UHFFFAOYSA-N	0	1	384.435	2.498	20	5		GEBDMN
Cc1cnc(CNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])o1	ZINC000173982694	532043622	/nfs/dbraw/zinc/04/36/22/532043622.db2.gz	YMGNQRUGXIKVHM-UHFFFAOYSA-N	0	1	376.188	2.132	20	5		GEBDMN
Cc1sc(S(=O)(=O)N[C@H](Cc2ccccc2)CN(C)C)cc1[N+](=O)[O-]	ZINC000123260542	532096799	/nfs/dbraw/zinc/09/67/99/532096799.db2.gz	CZAXUCSPRUSUNV-CQSZACIVSA-N	0	1	383.495	2.416	20	5		GEBDMN
CCC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1nn[nH]n1	ZINC000136740764	532286864	/nfs/dbraw/zinc/28/68/64/532286864.db2.gz	YEJWKWLPPDIFNW-NSHDSACASA-N	0	1	383.206	2.071	20	5		GEBDMN
C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1cc2c(cc1Br)OCCO2	ZINC000137102728	532288707	/nfs/dbraw/zinc/28/87/07/532288707.db2.gz	STUKLNYQBPKIPV-ZETCQYMHSA-N	0	1	397.185	2.343	20	5		GEBDMN
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@@H](c3nc[nH]n3)C2)c1	ZINC000372982255	532423900	/nfs/dbraw/zinc/42/39/00/532423900.db2.gz	YSOFENCHSLHDEO-SNVBAGLBSA-N	0	1	385.833	2.243	20	5		GEBDMN
O=[N+]([O-])c1cc(Br)ccc1CN1CCN([C@@H]2CCC[C@@H]2O)CC1	ZINC000591843213	532426380	/nfs/dbraw/zinc/42/63/80/532426380.db2.gz	IMHSAQXSPXIZHB-ZBFHGGJFSA-N	0	1	384.274	2.388	20	5		GEBDMN
COc1cc(CNCC2([S@@](C)=O)CC2)c([N+](=O)[O-])cc1OCC(F)F	ZINC000281813750	532435171	/nfs/dbraw/zinc/43/51/71/532435171.db2.gz	QJHRQJQITPXULZ-RUZDIDTESA-N	0	1	378.397	2.248	20	5		GEBDMN
CC(C)c1nnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)[nH]1	ZINC000295397888	532444601	/nfs/dbraw/zinc/44/46/01/532444601.db2.gz	VFBIXLHQZYQESI-UHFFFAOYSA-N	0	1	377.785	2.107	20	5		GEBDMN
CC(C)c1nnc(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)[nH]1	ZINC000295397888	532444607	/nfs/dbraw/zinc/44/46/07/532444607.db2.gz	VFBIXLHQZYQESI-UHFFFAOYSA-N	0	1	377.785	2.107	20	5		GEBDMN
O=[N+]([O-])c1cc(S(=O)(=O)NCc2n[nH]c(C3CC3)n2)c(Cl)cc1Cl	ZINC000295423812	532444880	/nfs/dbraw/zinc/44/48/80/532444880.db2.gz	XCGUIFYYUSTEAN-UHFFFAOYSA-N	0	1	392.224	2.376	20	5		GEBDMN
CS(=O)(=O)c1ccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1Cl	ZINC000430129053	532490888	/nfs/dbraw/zinc/49/08/88/532490888.db2.gz	ZFCFYRVIUFCSSR-UHFFFAOYSA-N	0	1	384.797	2.287	20	5		GEBDMN
COC[C@@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc(Cl)cc1	ZINC000594779950	532527308	/nfs/dbraw/zinc/52/73/08/532527308.db2.gz	YRUODIHXUOYVGE-GFCCVEGCSA-N	0	1	385.829	2.352	20	5		GEBDMN
Cc1[nH]nc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)c1[N+](=O)[O-]	ZINC000598151083	532642342	/nfs/dbraw/zinc/64/23/42/532642342.db2.gz	QPDNJILWVVIIMZ-UHFFFAOYSA-N	0	1	394.229	2.351	20	5		GEBDMN
Cc1[nH]nc(C(=O)N(C)C[C@H](O)c2cccc(Br)c2)c1[N+](=O)[O-]	ZINC000298374480	532644631	/nfs/dbraw/zinc/64/46/31/532644631.db2.gz	PLUUCVUHMUDLNO-NSHDSACASA-N	0	1	383.202	2.194	20	5		GEBDMN
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)CC2	ZINC000477436878	532652428	/nfs/dbraw/zinc/65/24/28/532652428.db2.gz	REEWYAGHRKVLGC-UHFFFAOYSA-N	0	1	382.419	2.034	20	5		GEBDMN
C[C@H](CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])N(C)C1CC1	ZINC000488670719	532701492	/nfs/dbraw/zinc/70/14/92/532701492.db2.gz	RXLIZSPNVZCGOW-SECBINFHSA-N	0	1	392.275	2.118	20	5		GEBDMN
C[C@@H](CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])N(C)C1CC1	ZINC000488670724	532701522	/nfs/dbraw/zinc/70/15/22/532701522.db2.gz	RXLIZSPNVZCGOW-VIFPVBQESA-N	0	1	392.275	2.118	20	5		GEBDMN
CCOCc1nc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])no1	ZINC000574368402	532713736	/nfs/dbraw/zinc/71/37/36/532713736.db2.gz	JEYLDZPGZLSQBB-MRVPVSSYSA-N	0	1	390.805	2.207	20	5		GEBDMN
O=[N+]([O-])c1cnc(N2CCC[C@H]2CN2CCC[C@H]2CO)c(Br)c1	ZINC000301560294	532754715	/nfs/dbraw/zinc/75/47/15/532754715.db2.gz	KDILMMHOXQMRGD-RYUDHWBXSA-N	0	1	385.262	2.178	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCC1(O)CCOCC1	ZINC000510443291	532773223	/nfs/dbraw/zinc/77/32/23/532773223.db2.gz	LFYYGCUUJQQDKV-UHFFFAOYSA-N	0	1	399.252	2.112	20	5		GEBDMN
Cc1noc(CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])n1	ZINC000462251254	532801442	/nfs/dbraw/zinc/80/14/42/532801442.db2.gz	FNSYPHCCOBUKHH-UHFFFAOYSA-N	0	1	381.197	2.114	20	5		GEBDMN
CN(C)CCN(C1CC1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000414468446	532829612	/nfs/dbraw/zinc/82/96/12/532829612.db2.gz	YKLUNKGNBPFAHC-UHFFFAOYSA-N	0	1	392.275	2.072	20	5		GEBDMN
C[N@@H+](CCCC(=O)[O-])Cc1cc(I)cc([N+](=O)[O-])c1	ZINC000414638180	532833564	/nfs/dbraw/zinc/83/35/64/532833564.db2.gz	NMGMRNPDUXEPNU-UHFFFAOYSA-N	0	1	378.166	2.496	20	5		GEBDMN
CCN(CCOCCO)Cc1cc(I)cc([N+](=O)[O-])c1	ZINC000289339977	532852988	/nfs/dbraw/zinc/85/29/88/532852988.db2.gz	FRISLCLQQKLIER-UHFFFAOYSA-N	0	1	394.209	2.030	20	5		GEBDMN
CCc1nnc(CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)s1	ZINC000289538748	532857934	/nfs/dbraw/zinc/85/79/34/532857934.db2.gz	NLAUGNBZENKVPS-UHFFFAOYSA-N	0	1	380.810	2.280	20	5		GEBDMN
CCN1CCC[C@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000416367988	532872153	/nfs/dbraw/zinc/87/21/53/532872153.db2.gz	GBVLURPCJPGEKD-NSHDSACASA-N	0	1	381.376	2.376	20	5		GEBDMN
O=C([O-])C[N@@H+]1CCC[C@H]1COC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000819521529	597457678	/nfs/dbraw/zinc/45/76/78/597457678.db2.gz	NTUNWDFQIBSCAU-ZDUSSCGKSA-N	0	1	391.405	2.424	20	5		GEBDMN
O=C([O-])C[N@H+]1CCC[C@H]1COC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000819521529	597457680	/nfs/dbraw/zinc/45/76/80/597457680.db2.gz	NTUNWDFQIBSCAU-ZDUSSCGKSA-N	0	1	391.405	2.424	20	5		GEBDMN
O=[N+]([O-])c1cnc(NC[C@@H](c2cccs2)[NH+]2CCCC2)c(-c2nn[n-]n2)c1	ZINC000823651475	599277871	/nfs/dbraw/zinc/27/78/71/599277871.db2.gz	LEXWQAOOYCKQCZ-ZDUSSCGKSA-N	0	1	386.441	2.480	20	5		GEBDMN
COc1ccc([N+](=O)[O-])cc1Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21	ZINC000737116942	598502915	/nfs/dbraw/zinc/50/29/15/598502915.db2.gz	UUOBFCVVZLKMHL-UHFFFAOYSA-N	0	1	378.348	2.147	20	5		GEBDMN
C[NH+]1CCN([C@H](C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2)CC1	ZINC000737514820	600190034	/nfs/dbraw/zinc/19/00/34/600190034.db2.gz	BMRYSZLHHKLGTB-SFHVURJKSA-N	0	1	398.419	2.220	20	5		GEBDMN
CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000825194413	607586998	/nfs/dbraw/zinc/58/69/98/607586998.db2.gz	QOSQZWBTRIKMMX-QWRGUYRKSA-N	0	1	380.430	2.022	20	5		GEBDMN
CCN([C@@H]1CCCC[C@H]1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000825394385	607604788	/nfs/dbraw/zinc/60/47/88/607604788.db2.gz	BIYHHXSJEISXJY-VXGBXAGGSA-N	0	1	394.457	2.364	20	5		GEBDMN
CCN(CC1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1)C(=O)[O-]	ZINC000827092389	603539851	/nfs/dbraw/zinc/53/98/51/603539851.db2.gz	BEQJYDBPTUKDAH-UHFFFAOYSA-N	0	1	390.440	2.196	20	5		GEBDMN
C[C@H]1CCC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@@H]1CNC(=O)[O-]	ZINC000825926351	603709693	/nfs/dbraw/zinc/70/96/93/603709693.db2.gz	WNGAOAKVDBZUSE-SWLSCSKDSA-N	0	1	392.412	2.261	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2C[C@@H]2C2CCCCC2)c1-c1nn[nH]n1	ZINC000826500129	607648038	/nfs/dbraw/zinc/64/80/38/607648038.db2.gz	MHAQJFDVVLROPP-NEPJUHHUSA-N	0	1	392.441	2.022	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2C[C@H]2C2CCCCC2)c1-c1nn[nH]n1	ZINC000826500131	607648150	/nfs/dbraw/zinc/64/81/50/607648150.db2.gz	MHAQJFDVVLROPP-RYUDHWBXSA-N	0	1	392.441	2.022	20	5		GEBDMN
C[C@H]1CC(C)(C)CC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000824877581	607662697	/nfs/dbraw/zinc/66/26/97/607662697.db2.gz	YRZYQHGBZHLRKI-WDEREUQCSA-N	0	1	394.457	2.268	20	5		GEBDMN
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C1CCN(C(=O)[O-])CC1	ZINC000829516489	603982495	/nfs/dbraw/zinc/98/24/95/603982495.db2.gz	SQRFTQGFUUDZGF-UHFFFAOYSA-N	0	1	380.401	2.006	20	5		GEBDMN
O=C([O-])NCCCOC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1	ZINC000832632851	604151078	/nfs/dbraw/zinc/15/10/78/604151078.db2.gz	KCFAKDWQVRNDOF-UHFFFAOYSA-N	0	1	377.401	2.041	20	5		GEBDMN
C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-]	ZINC000833622314	605021930	/nfs/dbraw/zinc/02/19/30/605021930.db2.gz	HCXCOXVJOQRROB-IAQYHMDHSA-N	0	1	393.465	2.374	20	5		GEBDMN
O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1	ZINC000832239343	605905784	/nfs/dbraw/zinc/90/57/84/605905784.db2.gz	DJUCVESFGHXSIF-GOOCMWNKSA-N	0	1	386.412	2.464	20	5		GEBDMN
O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1	ZINC000832239343	605905786	/nfs/dbraw/zinc/90/57/86/605905786.db2.gz	DJUCVESFGHXSIF-GOOCMWNKSA-N	0	1	386.412	2.464	20	5		GEBDMN
C[C@@H]1c2ccccc2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000820825815	606736108	/nfs/dbraw/zinc/73/61/08/606736108.db2.gz	DZRTVFSAOADWFM-SNVBAGLBSA-N	0	1	386.393	2.040	20	5		GEBDMN
O=C(Nc1cc(-c2nn[nH]n2)ccc1O)c1ccc([N+](=O)[O-])c2cccnc12	ZINC000826450848	608244994	/nfs/dbraw/zinc/24/49/94/608244994.db2.gz	GLBZLBKCJHLHCA-UHFFFAOYSA-N	0	1	377.320	2.281	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C)c1cccc(-c2nn[nH]n2)c1	ZINC000826293540	608488016	/nfs/dbraw/zinc/48/80/16/608488016.db2.gz	SRJNQGKJUQXREM-GFCCVEGCSA-N	0	1	381.396	2.373	20	5		GEBDMN
C[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000824897890	608564956	/nfs/dbraw/zinc/56/49/56/608564956.db2.gz	CKFOBEZTCKDMAC-IJLUTSLNSA-N	0	1	392.441	2.117	20	5		GEBDMN
C[C@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCN1C	ZINC000447024679	649994816	/nfs/dbraw/zinc/99/48/16/649994816.db2.gz	AIXYNNOXQYFWCR-VHSXEESVSA-N	0	1	392.275	2.118	20	5		GEBDMN
O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H](c3cccc(Br)c3)C2)c1	ZINC000451576094	650127029	/nfs/dbraw/zinc/12/70/29/650127029.db2.gz	ZKPIOSMFKRMMGP-BBRMVZONSA-N	0	1	395.257	2.404	20	5		GEBDMN
O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)c1cc(O)cc([N+](=O)[O-])c1	ZINC000505953636	650442013	/nfs/dbraw/zinc/44/20/13/650442013.db2.gz	OKZBYOBKEYJMSM-UHFFFAOYSA-N	0	1	384.797	2.158	20	5		GEBDMN
NC(=O)C1CCC(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1	ZINC000462294502	650473955	/nfs/dbraw/zinc/47/39/55/650473955.db2.gz	VYVISPHVZVSRNK-UHFFFAOYSA-N	0	1	396.252	2.224	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1nc(CO)cs1	ZINC000509784192	650500861	/nfs/dbraw/zinc/50/08/61/650500861.db2.gz	VABXOBLJSXSJEJ-UHFFFAOYSA-N	0	1	398.249	2.329	20	5		GEBDMN
COC(=O)[C@H](NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C)c1ccsc1	ZINC000468786244	650506906	/nfs/dbraw/zinc/50/69/06/650506906.db2.gz	CBMSBDNPLUASLY-CYBMUJFWSA-N	0	1	384.435	2.466	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCOCC(F)F	ZINC000472207449	650519992	/nfs/dbraw/zinc/51/99/92/650519992.db2.gz	CFTNRVDAAIODHO-UHFFFAOYSA-N	0	1	379.168	2.462	20	5		GEBDMN
CS(=O)(=O)Cc1ccc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1	ZINC000475793138	650538881	/nfs/dbraw/zinc/53/88/81/650538881.db2.gz	GALNNJSTEBNNEF-UHFFFAOYSA-N	0	1	388.398	2.079	20	5		GEBDMN
Cc1c(Cl)cc(S(=O)(=O)NC[C@@]2(N(C)C)CCSC2)cc1[N+](=O)[O-]	ZINC000481393931	650645850	/nfs/dbraw/zinc/64/58/50/650645850.db2.gz	RXNQGRYMOMVWRJ-AWEZNQCLSA-N	0	1	393.918	2.272	20	5		GEBDMN
Cc1noc([C@H](C)NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])n1	ZINC000488826461	650751411	/nfs/dbraw/zinc/75/14/11/650751411.db2.gz	MZVOPJFJERGDMJ-LURJTMIESA-N	0	1	391.203	2.088	20	5		GEBDMN
C[C@@H]1[C@@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCN1C	ZINC000536694410	650805496	/nfs/dbraw/zinc/80/54/96/650805496.db2.gz	QDEVOGSYRHVFHB-GHMZBOCLSA-N	0	1	385.262	2.320	20	5		GEBDMN
CN(CCN1CCCC1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000102906910	643145206	/nfs/dbraw/zinc/14/52/06/643145206.db2.gz	QPIBTGJZPRCFFC-UHFFFAOYSA-N	0	1	392.275	2.074	20	5		GEBDMN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cs1	ZINC000120213018	643595744	/nfs/dbraw/zinc/59/57/44/643595744.db2.gz	XWEKVYYPCIIQPA-SNVBAGLBSA-N	0	1	383.455	2.220	20	5		GEBDMN
CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)c2)cc1	ZINC000539854294	650851897	/nfs/dbraw/zinc/85/18/97/650851897.db2.gz	PNHMYWSIOXSOKU-UHFFFAOYSA-N	0	1	384.435	2.498	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](O)CS(=O)(=O)c1cccs1	ZINC000540155400	650858117	/nfs/dbraw/zinc/85/81/17/650858117.db2.gz	MAEBNDWQRKFLAS-GXTWGEPZSA-N	0	1	384.479	2.450	20	5		GEBDMN
C[N@@H+]1CC=C(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1	ZINC000546884445	651013188	/nfs/dbraw/zinc/01/31/88/651013188.db2.gz	KXQKCGZWHSXJEX-UHFFFAOYSA-N	0	1	380.253	2.442	20	5		GEBDMN
CC[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H](O)C(F)(F)F	ZINC000270871966	646145498	/nfs/dbraw/zinc/14/54/98/646145498.db2.gz	UARAVPACTRZDPD-OIBJUYFYSA-N	0	1	376.740	2.228	20	5		GEBDMN
CN1CC[C@@]2(CCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])C2)C1	ZINC000292459095	647191006	/nfs/dbraw/zinc/19/10/06/647191006.db2.gz	ZSOGNIFTXGEJEW-OAHLLOKOSA-N	0	1	375.397	2.123	20	5		GEBDMN
Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H](c3nc[nH]n3)C2)cc1[N+](=O)[O-]	ZINC000371133045	647786849	/nfs/dbraw/zinc/78/68/49/647786849.db2.gz	IMEGFGZIHXWSHX-JTQLQIEISA-N	0	1	385.833	2.243	20	5		GEBDMN
O=[N+]([O-])c1cnn(CCNCc2ccc(F)cc2I)c1	ZINC000417932163	648266620	/nfs/dbraw/zinc/26/66/20/648266620.db2.gz	LXNKNKVMIFELTD-UHFFFAOYSA-N	0	1	390.156	2.325	20	5		GEBDMN
CN(C[C@@H]1CCCN1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000420771580	648454917	/nfs/dbraw/zinc/45/49/17/648454917.db2.gz	SFHFGCLSINOORB-NSHDSACASA-N	0	1	381.376	2.328	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-n3cnnn3)cc2)c(Cl)c1	ZINC000603971593	651505720	/nfs/dbraw/zinc/50/57/20/651505720.db2.gz	PQKZRGVYNXKPFH-UHFFFAOYSA-N	0	1	380.773	2.025	20	5		GEBDMN
O=[N+]([O-])c1cncc(Br)c1N1CCC[C@@H](N2CCOCC2)CC1	ZINC000572015077	651867604	/nfs/dbraw/zinc/86/76/04/651867604.db2.gz	JWGRWXZZTMXIJS-GFCCVEGCSA-N	0	1	385.262	2.443	20	5		GEBDMN
CCc1cc(CNS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])n[nH]1	ZINC000738382761	651894770	/nfs/dbraw/zinc/89/47/70/651894770.db2.gz	HHEKTMMFUAHKJQ-UHFFFAOYSA-N	0	1	389.231	2.121	20	5		GEBDMN
COC(=O)c1nscc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000756361164	652497059	/nfs/dbraw/zinc/49/70/59/652497059.db2.gz	WAKRGWYJDLQUTD-UHFFFAOYSA-N	0	1	377.787	2.292	20	5		GEBDMN
C[C@H](CC[NH+](C)C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000757743997	652521646	/nfs/dbraw/zinc/52/16/46/652521646.db2.gz	CDNKIXNROFFHMI-MRVPVSSYSA-N	0	1	398.254	2.115	20	5		GEBDMN
C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCN1C	ZINC000765195904	652830356	/nfs/dbraw/zinc/83/03/56/652830356.db2.gz	URYPKEKECGIHDJ-UWVGGRQHSA-N	0	1	392.275	2.118	20	5		GEBDMN
CC1(N2CCOCC2)CCN(c2c(Br)cncc2[N+](=O)[O-])CC1	ZINC000599160219	652851633	/nfs/dbraw/zinc/85/16/33/652851633.db2.gz	KGMSEONYPLAFRL-UHFFFAOYSA-N	0	1	385.262	2.443	20	5		GEBDMN
CO[C@H](c1ccccc1Cl)[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599274176	652857741	/nfs/dbraw/zinc/85/77/41/652857741.db2.gz	MWFYDEUVWSAQHG-ZANVPECISA-N	0	1	388.833	2.036	20	5		GEBDMN
CS[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C[C@@H]1N(C)C	ZINC000767314616	652919421	/nfs/dbraw/zinc/91/94/21/652919421.db2.gz	HSVZQOJQVRFOHB-QWHCGFSZSA-N	0	1	393.918	2.223	20	5		GEBDMN
CSc1nnnn1-c1cccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1	ZINC000768865936	653133678	/nfs/dbraw/zinc/13/36/78/653133678.db2.gz	NPPPCHOODXEUEM-UHFFFAOYSA-N	0	1	398.451	2.155	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Cl	ZINC000809808688	653296740	/nfs/dbraw/zinc/29/67/40/653296740.db2.gz	DQAPEXVLSDZKBH-NEPJUHHUSA-N	0	1	377.825	2.292	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1Cl	ZINC000809808688	653296744	/nfs/dbraw/zinc/29/67/44/653296744.db2.gz	DQAPEXVLSDZKBH-NEPJUHHUSA-N	0	1	377.825	2.292	20	5		GEBDMN
C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C[NH+]1CCCC1	ZINC000809809293	653297220	/nfs/dbraw/zinc/29/72/20/653297220.db2.gz	KPAMXBUMZLFTGC-SNVBAGLBSA-N	0	1	379.841	2.398	20	5		GEBDMN
C[C@H](NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(=O)OC(C)(C)C	ZINC000809815556	653298590	/nfs/dbraw/zinc/29/85/90/653298590.db2.gz	IZSIMYJZGUZGDK-ZETCQYMHSA-N	0	1	382.797	2.396	20	5		GEBDMN
C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000809822054	653301877	/nfs/dbraw/zinc/30/18/77/653301877.db2.gz	WBSKZJZJDAHGBM-BXKDBHETSA-N	0	1	379.841	2.348	20	5		GEBDMN
CC[C@H](NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@H](O)C(F)(F)F	ZINC000809829845	653305134	/nfs/dbraw/zinc/30/51/34/653305134.db2.gz	HQKUKRXHIWZIJX-XVKPBYJWSA-N	0	1	394.730	2.367	20	5		GEBDMN
CN(C)c1cccnc1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000810081976	653322099	/nfs/dbraw/zinc/32/20/99/653322099.db2.gz	LSCUKILJNXGJFH-UHFFFAOYSA-N	0	1	388.808	2.327	20	5		GEBDMN
COC(=O)c1nscc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1Cl	ZINC000811832839	653408621	/nfs/dbraw/zinc/40/86/21/653408621.db2.gz	ZTXONKRUUFENLH-UHFFFAOYSA-N	0	1	377.787	2.292	20	5		GEBDMN
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@@]2(N(C)C)CCSC2)c1	ZINC000779904511	653615812	/nfs/dbraw/zinc/61/58/12/653615812.db2.gz	FQIJIFWPQROLRY-AWEZNQCLSA-N	0	1	393.918	2.272	20	5		GEBDMN
COC(=O)[C@@H]1OCC[C@@H]1CNCc1cc(Br)c([N+](=O)[O-])s1	ZINC000877725720	653618016	/nfs/dbraw/zinc/61/80/16/653618016.db2.gz	LJKJOZZHLNJREG-GMSGAONNSA-N	0	1	379.232	2.087	20	5		GEBDMN
Cn1cc([N+](=O)[O-])c(C(=O)OCc2nc3ccc(Br)cc3[nH]2)n1	ZINC000780525507	653627490	/nfs/dbraw/zinc/62/74/90/653627490.db2.gz	BZPOYEMDKZOHTD-UHFFFAOYSA-N	0	1	380.158	2.324	20	5		GEBDMN
CC[NH+]1CCC(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1	ZINC000814998826	653642582	/nfs/dbraw/zinc/64/25/82/653642582.db2.gz	ZOHAYIOZIQJALS-UHFFFAOYSA-N	0	1	379.841	2.398	20	5		GEBDMN
CO[C@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(F)(F)F	ZINC000815013159	653643451	/nfs/dbraw/zinc/64/34/51/653643451.db2.gz	QXLRSPQSJRSLQF-SECBINFHSA-N	0	1	380.703	2.243	20	5		GEBDMN
C[C@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815018634	653644197	/nfs/dbraw/zinc/64/41/97/653644197.db2.gz	WDNLOPINAYLMCW-CABZTGNLSA-N	0	1	379.841	2.348	20	5		GEBDMN
CC[C@@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@@H](O)C(F)(F)F	ZINC000815029958	653646122	/nfs/dbraw/zinc/64/61/22/653646122.db2.gz	UKWRDKRRGRKTKA-GMSGAONNSA-N	0	1	394.730	2.367	20	5		GEBDMN
CC[C@H]1CN(C)CCN1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O	ZINC000840091084	653674031	/nfs/dbraw/zinc/67/40/31/653674031.db2.gz	ISUGSRNFAJDAOJ-LBPRGKRZSA-N	0	1	397.273	2.297	20	5		GEBDMN
O=C(Nc1cc(Br)c(F)cc1N1CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000840543835	653688796	/nfs/dbraw/zinc/68/87/96/653688796.db2.gz	MYWWBXWKGQKLGZ-PRHODGIISA-N	0	1	388.193	2.029	20	5		GEBDMN
O=C(OCc1noc(Cc2ccc(Br)cc2)n1)[C@@H]1CC1[N+](=O)[O-]	ZINC000840670542	653690809	/nfs/dbraw/zinc/69/08/09/653690809.db2.gz	IABLSUNVYLNHGJ-GHMZBOCLSA-N	0	1	382.170	2.131	20	5		GEBDMN
Cn1cnc(S(=O)(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)c1	ZINC000840954222	653703931	/nfs/dbraw/zinc/70/39/31/653703931.db2.gz	FRENHASPAVJLNF-LLVKDONJSA-N	0	1	382.295	2.049	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@H]2CCCC(F)(F)[C@@H]2O)c1	ZINC000841566534	653735388	/nfs/dbraw/zinc/73/53/88/653735388.db2.gz	HHMACJSTWZELPS-GZMMTYOYSA-N	0	1	388.751	2.214	20	5		GEBDMN
C[C@]1(NC(=O)C(F)(F)F)CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C1	ZINC000865275686	653758823	/nfs/dbraw/zinc/75/88/23/653758823.db2.gz	NUWKWQWEWWQNCL-ZDUSSCGKSA-N	0	1	376.360	2.435	20	5		GEBDMN
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(-n3cncn3)cn2)ccc1Cl	ZINC000790648925	653795045	/nfs/dbraw/zinc/79/50/45/653795045.db2.gz	SSLFJJNQYJXSKW-UHFFFAOYSA-N	0	1	380.773	2.025	20	5		GEBDMN
NC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c(F)c1	ZINC000795326070	653945347	/nfs/dbraw/zinc/94/53/47/653945347.db2.gz	IQIOVYNPPALRNN-UHFFFAOYSA-N	0	1	391.739	2.426	20	5		GEBDMN
Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c(=O)n(C)c1	ZINC000795333033	653946019	/nfs/dbraw/zinc/94/60/19/653946019.db2.gz	CTAYQOWWFXRTIS-UHFFFAOYSA-N	0	1	375.765	2.195	20	5		GEBDMN
Cc1cc(CNS(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])[nH]n1	ZINC000795843041	653969612	/nfs/dbraw/zinc/96/96/12/653969612.db2.gz	LNNKKLRBERLKCY-UHFFFAOYSA-N	0	1	393.194	2.006	20	5		GEBDMN
Cc1cc(CNS(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])n[nH]1	ZINC000795843041	653969615	/nfs/dbraw/zinc/96/96/15/653969615.db2.gz	LNNKKLRBERLKCY-UHFFFAOYSA-N	0	1	393.194	2.006	20	5		GEBDMN
O=C(NCc1n[nH]c([C@@H]2CCCO2)n1)c1cccc([N+](=O)[O-])c1Br	ZINC000848390359	653973845	/nfs/dbraw/zinc/97/38/45/653973845.db2.gz	MTSHXPGRZLNGTF-JTQLQIEISA-N	0	1	396.201	2.257	20	5		GEBDMN
CS[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[C@H]1N(C)C	ZINC000795897296	653975884	/nfs/dbraw/zinc/97/58/84/653975884.db2.gz	SYSKZFSQMPYXOF-GHMZBOCLSA-N	0	1	397.881	2.053	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@@H](CO)c2ccsc2)c1	ZINC000795927359	653977910	/nfs/dbraw/zinc/97/79/10/653977910.db2.gz	DINMRSJOPFHONX-JTQLQIEISA-N	0	1	380.806	2.461	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@@H](CCO)c2ccco2)c1	ZINC000795931002	653978210	/nfs/dbraw/zinc/97/82/10/653978210.db2.gz	VJTQXXHGDQQEKQ-JTQLQIEISA-N	0	1	378.765	2.382	20	5		GEBDMN
COc1ncccc1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000798225702	654054899	/nfs/dbraw/zinc/05/48/99/654054899.db2.gz	HVRVFBRDCLTKET-UHFFFAOYSA-N	0	1	375.765	2.269	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(S(=O)(=O)NCc2nccn2C(F)F)cc1Cl	ZINC000798229072	654056004	/nfs/dbraw/zinc/05/60/04/654056004.db2.gz	XUGMCKLYZFSZTN-UHFFFAOYSA-N	0	1	384.723	2.457	20	5		GEBDMN
C[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1CN(C)CCN1C	ZINC000900810940	654082187	/nfs/dbraw/zinc/08/21/87/654082187.db2.gz	IVBYFZVIOZQWLF-RNCFNFMXSA-N	0	1	375.256	2.266	20	5		GEBDMN
CCn1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c([N+](=O)[O-])n1	ZINC000800930235	654168773	/nfs/dbraw/zinc/16/87/73/654168773.db2.gz	HTFSZEUQIQCZHH-UHFFFAOYSA-N	0	1	375.750	2.174	20	5		GEBDMN
CCCN1CC[C@@H](NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1	ZINC000851820518	654183203	/nfs/dbraw/zinc/18/32/03/654183203.db2.gz	AWPPMGGHCPAAGR-SNVBAGLBSA-N	0	1	392.275	2.120	20	5		GEBDMN
CC(C)N1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1	ZINC000832764250	654293905	/nfs/dbraw/zinc/29/39/05/654293905.db2.gz	KJNWOHIBLXZKFS-SNVBAGLBSA-N	0	1	379.841	2.491	20	5		GEBDMN
Cc1nc([C@@H](C)NCc2cc(I)cc([N+](=O)[O-])c2)n[nH]1	ZINC000894773409	654498430	/nfs/dbraw/zinc/49/84/30/654498430.db2.gz	GXBWBTGMAWAZPL-SSDOTTSWSA-N	0	1	387.181	2.477	20	5		GEBDMN
CN1CC[C@H]1CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1	ZINC000925422376	654544369	/nfs/dbraw/zinc/54/43/69/654544369.db2.gz	VAKZBCKVVSCJCE-JTQLQIEISA-N	0	1	383.246	2.129	20	5		GEBDMN
CN1CCC2(CCN2S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1	ZINC000907855907	654583991	/nfs/dbraw/zinc/58/39/91/654583991.db2.gz	PASUKOVQZMNFDA-UHFFFAOYSA-N	0	1	377.825	2.246	20	5		GEBDMN
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cc(S(C)(=O)=O)ccc1F	ZINC000055583776	531796248	/nfs/dbraw/zinc/79/62/48/531796248.db2.gz	RMGZJKDBXWXBAZ-UHFFFAOYSA-N	0	1	388.398	2.247	20	5		GEBDMN
C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)N(C)C1CC1	ZINC000163275815	531854878	/nfs/dbraw/zinc/85/48/78/531854878.db2.gz	OUEZKFWSZIFKDT-SECBINFHSA-N	0	1	381.376	2.375	20	5		GEBDMN
C[C@@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)nc1	ZINC000180942413	532286512	/nfs/dbraw/zinc/28/65/12/532286512.db2.gz	JEHGGCMHXNSBAB-LLVKDONJSA-N	0	1	384.845	2.272	20	5		GEBDMN
Cc1nnc([C@H](C)NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1	ZINC000591326647	532407095	/nfs/dbraw/zinc/40/70/95/532407095.db2.gz	PAVIJADYJDWRCN-LURJTMIESA-N	0	1	380.304	2.345	20	5		GEBDMN
C[N@H+]1CC=C(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1	ZINC000295178698	532414558	/nfs/dbraw/zinc/41/45/58/532414558.db2.gz	PKKQZJBWAOGDFS-UHFFFAOYSA-N	0	1	380.253	2.442	20	5		GEBDMN
C[N@@H+]1CC=C(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1	ZINC000295178698	532414565	/nfs/dbraw/zinc/41/45/65/532414565.db2.gz	PKKQZJBWAOGDFS-UHFFFAOYSA-N	0	1	380.253	2.442	20	5		GEBDMN
O=[N+]([O-])c1cc(Br)ccc1CN1CCN([C@H]2CCC[C@@H]2O)CC1	ZINC000591843212	532426481	/nfs/dbraw/zinc/42/64/81/532426481.db2.gz	IMHSAQXSPXIZHB-HOCLYGCPSA-N	0	1	384.274	2.388	20	5		GEBDMN
CC[C@@H](NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@H](O)C(F)F	ZINC000295799899	532477013	/nfs/dbraw/zinc/47/70/13/532477013.db2.gz	SJFMXKFQPMHTFQ-XCBNKYQSSA-N	0	1	376.740	2.070	20	5		GEBDMN
O=C(NCc1n[nH]c(C2CC2)n1)c1cc(F)cc([N+](=O)[O-])c1Br	ZINC000296187405	532504331	/nfs/dbraw/zinc/50/43/31/532504331.db2.gz	SZQZOCLHJJPBJB-UHFFFAOYSA-N	0	1	384.165	2.422	20	5		GEBDMN
CCCN1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1	ZINC000595356905	532559317	/nfs/dbraw/zinc/55/93/17/532559317.db2.gz	VMIZLSSRZAOXFB-SNVBAGLBSA-N	0	1	392.275	2.120	20	5		GEBDMN
CC(C)c1ncc(CNCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	ZINC000531818117	532636608	/nfs/dbraw/zinc/63/66/08/532636608.db2.gz	ALLMMZVFWYWMTD-UHFFFAOYSA-N	0	1	384.483	2.243	20	5		GEBDMN
O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@H](O)CS(=O)(=O)c1cccs1	ZINC000567366779	532651802	/nfs/dbraw/zinc/65/18/02/532651802.db2.gz	JXBWQRHCGPRPJP-SMDDNHRTSA-N	0	1	382.463	2.068	20	5		GEBDMN
O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@@H](O)CS(=O)(=O)c1cccs1	ZINC000567366776	532652412	/nfs/dbraw/zinc/65/24/12/532652412.db2.gz	JXBWQRHCGPRPJP-BXUZGUMPSA-N	0	1	382.463	2.068	20	5		GEBDMN
Cc1c(Br)cc(S(=O)(=O)NCCN(C)C2CC2)cc1[N+](=O)[O-]	ZINC000439245334	532685810	/nfs/dbraw/zinc/68/58/10/532685810.db2.gz	JWGXIYWZQMSBCL-UHFFFAOYSA-N	0	1	392.275	2.038	20	5		GEBDMN
Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1C	ZINC000538755569	532717591	/nfs/dbraw/zinc/71/75/91/532717591.db2.gz	CAXOSMLLGKYXBV-UHFFFAOYSA-N	0	1	384.435	2.416	20	5		GEBDMN
CN(C[C@@H]1CCCN(C)C1)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-]	ZINC000301253998	532745585	/nfs/dbraw/zinc/74/55/85/532745585.db2.gz	CZMTUVWCUAHRCU-LLVKDONJSA-N	0	1	377.413	2.369	20	5		GEBDMN
C[C@@H]1CN(C2CCN(c3ncc([N+](=O)[O-])cc3Br)CC2)CCO1	ZINC000301521038	532753540	/nfs/dbraw/zinc/75/35/40/532753540.db2.gz	GXGNAQVXFZCRCN-LLVKDONJSA-N	0	1	385.262	2.442	20	5		GEBDMN
Cc1c(Br)cc(C(=O)NC2(c3nn[nH]n3)CCCC2)cc1[N+](=O)[O-]	ZINC000511865187	532776013	/nfs/dbraw/zinc/77/60/13/532776013.db2.gz	NHVXCWICUROIOY-UHFFFAOYSA-N	0	1	395.217	2.378	20	5		GEBDMN
CCN1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000331133734	532833665	/nfs/dbraw/zinc/83/36/65/532833665.db2.gz	BWXJFUILWKSBPA-LLVKDONJSA-N	0	1	392.275	2.120	20	5		GEBDMN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCCN1CC=CCC1	ZINC000225461940	206048714	/nfs/dbraw/zinc/04/87/14/206048714.db2.gz	DFTVMMXJHVPMJT-UHFFFAOYSA-N	0	1	394.497	2.443	20	5		GEBDMN
O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H](O)C(F)(F)F)c(Cl)cc1Cl	ZINC000290717428	532887719	/nfs/dbraw/zinc/88/77/19/532887719.db2.gz	JZBJXAJIDTVLRQ-QMMMGPOBSA-N	0	1	383.131	2.103	20	5		GEBDMN
Cc1cn2c(n1)CC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C2	ZINC000367144479	532922867	/nfs/dbraw/zinc/92/28/67/532922867.db2.gz	OEVOFMSVHYCEBP-VIFPVBQESA-N	0	1	388.808	2.186	20	5		GEBDMN
O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CCc2nc[nH]c2C1	ZINC000371308557	532947443	/nfs/dbraw/zinc/94/74/43/532947443.db2.gz	PRRVLAFTQHOGFI-SNVBAGLBSA-N	0	1	379.214	2.297	20	5		GEBDMN
O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1S(=O)(=O)Nc1cccc(Cl)c1F	ZINC000738359597	599041440	/nfs/dbraw/zinc/04/14/40/599041440.db2.gz	KLEJXOUBCIESJH-UHFFFAOYSA-N	0	1	398.763	2.368	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(-c2nn[nH]n2)cc1F	ZINC000823634480	607328484	/nfs/dbraw/zinc/32/84/84/607328484.db2.gz	HHJQJNXXJPLYEI-UHFFFAOYSA-N	0	1	398.763	2.368	20	5		GEBDMN
COc1cc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OCC(F)(F)F	ZINC000820763898	598129388	/nfs/dbraw/zinc/12/93/88/598129388.db2.gz	KZXQJEAORQGLHY-SECBINFHSA-N	0	1	378.303	2.451	20	5		GEBDMN
C[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000736135480	598581660	/nfs/dbraw/zinc/58/16/60/598581660.db2.gz	YLWDSKFYRYAAHZ-SJCJKPOMSA-N	0	1	393.407	2.231	20	5		GEBDMN
Cc1ccnc(NC[C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])C2)c1	ZINC000737438051	598672356	/nfs/dbraw/zinc/67/23/56/598672356.db2.gz	XYJQJWUOWFYZTI-ZDUSSCGKSA-N	0	1	380.412	2.417	20	5		GEBDMN
C[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC000736198467	599309392	/nfs/dbraw/zinc/30/93/92/599309392.db2.gz	JEDKBAJGMLKFRI-CYBMUJFWSA-N	0	1	380.412	2.053	20	5		GEBDMN
C[C@H](N[C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000820410011	599386254	/nfs/dbraw/zinc/38/62/54/599386254.db2.gz	BXRQFZNEKFVHBA-RYUDHWBXSA-N	0	1	381.396	2.453	20	5		GEBDMN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC000738069134	600311335	/nfs/dbraw/zinc/31/13/35/600311335.db2.gz	YEQIHPNHKUFFBJ-DGCLKSJQSA-N	0	1	377.397	2.117	20	5		GEBDMN
O=C([O-])[C@@H]1Cc2ccccc2C[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21	ZINC000739626604	600317344	/nfs/dbraw/zinc/31/73/44/600317344.db2.gz	UFYQAHUDSSTKEH-KRWDZBQOSA-N	0	1	397.387	2.404	20	5		GEBDMN
O=C([O-])CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCCO1	ZINC000739719347	600511793	/nfs/dbraw/zinc/51/17/93/600511793.db2.gz	WHJLQFBLJWDGGQ-LBPRGKRZSA-N	0	1	385.804	2.142	20	5		GEBDMN
O=C([O-])CC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCCO1	ZINC000739719347	600511795	/nfs/dbraw/zinc/51/17/95/600511795.db2.gz	WHJLQFBLJWDGGQ-LBPRGKRZSA-N	0	1	385.804	2.142	20	5		GEBDMN
Cc1ccccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1	ZINC000826307649	607450622	/nfs/dbraw/zinc/45/06/22/607450622.db2.gz	QWTDBYUXEXPSST-UHFFFAOYSA-N	0	1	379.424	2.406	20	5		GEBDMN
Cc1ccccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1	ZINC000826307649	607450623	/nfs/dbraw/zinc/45/06/23/607450623.db2.gz	QWTDBYUXEXPSST-UHFFFAOYSA-N	0	1	379.424	2.406	20	5		GEBDMN
C[C@H](NC(=O)c1ccc(N(C)CC[C@H]2CCCC[N@H+]2C)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827694420	600820852	/nfs/dbraw/zinc/82/08/52/600820852.db2.gz	FPLUYSZRHDXZJO-DZGCQCFKSA-N	0	1	392.456	2.108	20	5		GEBDMN
CC[C@@H](C)[C@@H](NC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C(=O)[O-]	ZINC000828716912	600849310	/nfs/dbraw/zinc/84/93/10/600849310.db2.gz	HUMAFQOUXSVLFU-FZKQIMNGSA-N	0	1	393.440	2.054	20	5		GEBDMN
Cc1cccc(NCCNc2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])[nH+]1	ZINC000832971426	601445164	/nfs/dbraw/zinc/44/51/64/601445164.db2.gz	ZCSRBKUFYJMGCE-LBPRGKRZSA-N	0	1	387.396	2.025	20	5		GEBDMN
O=C(Cc1cccc([N+](=O)[O-])c1)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1	ZINC000833118672	601734990	/nfs/dbraw/zinc/73/49/90/601734990.db2.gz	OMXKAOJZVXUXIN-OAQYLSRUSA-N	0	1	397.431	2.373	20	5		GEBDMN
O=C([O-])N1CCC([N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C2CC2)CC1	ZINC000740501107	601933225	/nfs/dbraw/zinc/93/32/25/601933225.db2.gz	UUKJPNMMLVWNND-UHFFFAOYSA-N	0	1	388.424	2.091	20	5		GEBDMN
Cc1ccccc1[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000826305844	607577579	/nfs/dbraw/zinc/57/75/79/607577579.db2.gz	KAGSCHARJZWXLM-NSHDSACASA-N	0	1	388.409	2.123	20	5		GEBDMN
CN(CC1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1)C(=O)[O-]	ZINC000739657884	602705438	/nfs/dbraw/zinc/70/54/38/602705438.db2.gz	ATSGXDHDZFQDLL-INIZCTEOSA-N	0	1	376.413	2.022	20	5		GEBDMN
C[C@H](NC(=O)[O-])C1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1	ZINC000739030254	602707333	/nfs/dbraw/zinc/70/73/33/602707333.db2.gz	YYSNUKGRUBXOGS-LRDDRELGSA-N	0	1	376.413	2.068	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1-c1nn[nH]n1	ZINC000826500260	607650217	/nfs/dbraw/zinc/65/02/17/607650217.db2.gz	QIPLCNDRRHYVGJ-QJPTWQEYSA-N	0	1	392.441	2.022	20	5		GEBDMN
Cc1nn(C[N@H+]2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)c2ncc([N+](=O)[O-])cc12	ZINC000830870910	603908834	/nfs/dbraw/zinc/90/88/34/603908834.db2.gz	OLCSGMQZAQNQQV-CZUORRHYSA-N	0	1	388.428	2.460	20	5		GEBDMN
O=C([O-])NCCCOC1CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1	ZINC000832632442	604151400	/nfs/dbraw/zinc/15/14/00/604151400.db2.gz	HITAITKAKWMDQW-UHFFFAOYSA-N	0	1	377.401	2.041	20	5		GEBDMN
CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000593748251	605388050	/nfs/dbraw/zinc/38/80/50/605388050.db2.gz	KHISCMHVDMTWCK-ZDUSSCGKSA-N	0	1	384.454	2.191	20	5		GEBDMN
CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000593748251	605388058	/nfs/dbraw/zinc/38/80/58/605388058.db2.gz	KHISCMHVDMTWCK-ZDUSSCGKSA-N	0	1	384.454	2.191	20	5		GEBDMN
C[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1	ZINC000833615059	605392396	/nfs/dbraw/zinc/39/23/96/605392396.db2.gz	ZUCJRWUZYZWYRP-GFCCVEGCSA-N	0	1	399.469	2.082	20	5		GEBDMN
O=C([O-])N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@H]21	ZINC000834183643	605440075	/nfs/dbraw/zinc/44/00/75/605440075.db2.gz	PRAVVBLVSWFSGZ-HFBAOOFYSA-N	0	1	377.397	2.329	20	5		GEBDMN
C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@H]2C1	ZINC000833789014	605455131	/nfs/dbraw/zinc/45/51/31/605455131.db2.gz	FUHMMXZJWHAKAN-GUYJKWIASA-N	0	1	376.413	2.290	20	5		GEBDMN
CCC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCN(C(=O)[O-])CC1	ZINC000826897724	605483314	/nfs/dbraw/zinc/48/33/14/605483314.db2.gz	NGYPPLFXPMQSBU-UHFFFAOYSA-N	0	1	390.440	2.338	20	5		GEBDMN
O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000834024586	605515171	/nfs/dbraw/zinc/51/51/71/605515171.db2.gz	FCJLDABXQLQTOG-RDJZCZTQSA-N	0	1	390.440	2.065	20	5		GEBDMN
COc1cc(C[N@H+](C)[C@H]2CCN(C(=O)[O-])C2)c([N+](=O)[O-])cc1OCC(F)F	ZINC000833887622	605575244	/nfs/dbraw/zinc/57/52/44/605575244.db2.gz	UZLUSVRWWABUAF-NSHDSACASA-N	0	1	389.355	2.431	20	5		GEBDMN
COc1cc(C[N@@H+](C)[C@H]2CCN(C(=O)[O-])C2)c([N+](=O)[O-])cc1OCC(F)F	ZINC000833887622	605575247	/nfs/dbraw/zinc/57/52/47/605575247.db2.gz	UZLUSVRWWABUAF-NSHDSACASA-N	0	1	389.355	2.431	20	5		GEBDMN
CC(C)CN(CC(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000820087695	606732434	/nfs/dbraw/zinc/73/24/34/606732434.db2.gz	WYEUVFHXHRUWQE-UHFFFAOYSA-N	0	1	382.446	2.078	20	5		GEBDMN
CC(C)CC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1	ZINC000820068469	606737247	/nfs/dbraw/zinc/73/72/47/606737247.db2.gz	QKFBVHSIMPBHRP-UHFFFAOYSA-N	0	1	394.457	2.222	20	5		GEBDMN
CCN(c1cccc(F)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000821239639	607154824	/nfs/dbraw/zinc/15/48/24/607154824.db2.gz	BUEHMKNHJMPMPP-UHFFFAOYSA-N	0	1	392.372	2.129	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(F)ccc2Cl)c1-c1nn[nH]n1	ZINC000823647991	607155984	/nfs/dbraw/zinc/15/59/84/607155984.db2.gz	RMACAYCXMZSYTQ-UHFFFAOYSA-N	0	1	398.763	2.368	20	5		GEBDMN
Cc1cccc(NC[C@H]2CCN(c3ccc([N+](=O)[O-])c(-c4nn[nH]n4)c3)C2)n1	ZINC000826299541	607841458	/nfs/dbraw/zinc/84/14/58/607841458.db2.gz	KBJSTPCADIYMJA-CYBMUJFWSA-N	0	1	380.412	2.417	20	5		GEBDMN
CC1(C)CCC(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1	ZINC000824802723	607973978	/nfs/dbraw/zinc/97/39/78/607973978.db2.gz	PBICHHQTQNZNSV-UHFFFAOYSA-N	0	1	394.457	2.270	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C)c1ccc(-c2nn[nH]n2)cc1	ZINC000826293093	608464809	/nfs/dbraw/zinc/46/48/09/608464809.db2.gz	AOXHTXMYCNNMEU-LBPRGKRZSA-N	0	1	381.396	2.373	20	5		GEBDMN
Cc1cccc([N+](=O)[O-])c1NC(=O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1	ZINC000826304593	608529340	/nfs/dbraw/zinc/52/93/40/608529340.db2.gz	QVSISOSPXLVYAG-UHFFFAOYSA-N	0	1	393.407	2.301	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCCn1cccn1	ZINC000462436996	650479331	/nfs/dbraw/zinc/47/93/31/650479331.db2.gz	NJNHZHXYINLRSP-UHFFFAOYSA-N	0	1	379.225	2.467	20	5		GEBDMN
Cc1cc(S(C)(=O)=O)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C	ZINC000510103363	650506789	/nfs/dbraw/zinc/50/67/89/650506789.db2.gz	HKSVCSCAXCEWPE-UHFFFAOYSA-N	0	1	384.435	2.416	20	5		GEBDMN
Cc1nc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n[nH]1	ZINC000510995676	650522889	/nfs/dbraw/zinc/52/28/89/650522889.db2.gz	HXLIQVBYCRYDET-ZCFIWIBFSA-N	0	1	379.320	2.080	20	5		GEBDMN
CCn1c(CNC(=O)c2n[nH]cc2[N+](=O)[O-])nc2cc(Br)ccc21	ZINC000483053328	650674144	/nfs/dbraw/zinc/67/41/44/650674144.db2.gz	GQZZQJBCXNBVTF-UHFFFAOYSA-N	0	1	393.201	2.380	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnn(C[C@H]3CCCO3)c2)c(Cl)c1	ZINC000055630660	642776171	/nfs/dbraw/zinc/77/61/71/642776171.db2.gz	XAFIRTROKJIEAL-GFCCVEGCSA-N	0	1	386.817	2.425	20	5		GEBDMN
O=C(Nc1n[nH]c(-c2ccccc2Br)n1)c1n[nH]cc1[N+](=O)[O-]	ZINC000536533730	650805047	/nfs/dbraw/zinc/80/50/47/650805047.db2.gz	KWLRAPZIUIAAFF-UHFFFAOYSA-N	0	1	378.146	2.118	20	5		GEBDMN
CC(C)N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1	ZINC000130441856	643839396	/nfs/dbraw/zinc/83/93/96/643839396.db2.gz	UWRDHWFVCMXAGS-UHFFFAOYSA-N	0	1	385.262	2.322	20	5		GEBDMN
C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2I)C[C@H](C)N1	ZINC000154238902	644028047	/nfs/dbraw/zinc/02/80/47/644028047.db2.gz	JHZLDVADPRUAFX-IUCAKERBSA-N	0	1	389.193	2.022	20	5		GEBDMN
C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nnc2ccccn21	ZINC000154472227	644044531	/nfs/dbraw/zinc/04/45/31/644044531.db2.gz	MRWZZSLRLKYSEE-SECBINFHSA-N	0	1	381.801	2.330	20	5		GEBDMN
C[C@H](CNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])N(C)C1CC1	ZINC000170787982	644287069	/nfs/dbraw/zinc/28/70/69/644287069.db2.gz	BLPKXXZJIBOTAJ-SECBINFHSA-N	0	1	392.275	2.118	20	5		GEBDMN
CCN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C1CC1	ZINC000170873330	644294354	/nfs/dbraw/zinc/29/43/54/644294354.db2.gz	JFBDLGFXVWZOKA-UHFFFAOYSA-N	0	1	392.275	2.120	20	5		GEBDMN
CCN(CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C1CC1	ZINC000173098323	644351767	/nfs/dbraw/zinc/35/17/67/644351767.db2.gz	TUXKJTMENNAUAI-UHFFFAOYSA-N	0	1	392.275	2.120	20	5		GEBDMN
CC[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H](O)C(F)(F)F	ZINC000270871968	646145565	/nfs/dbraw/zinc/14/55/65/646145565.db2.gz	UARAVPACTRZDPD-XCBNKYQSSA-N	0	1	376.740	2.228	20	5		GEBDMN
COc1cc(CN[C@H](C)[C@@H](CO)SC)c([N+](=O)[O-])cc1OCC(F)F	ZINC000272531090	646275815	/nfs/dbraw/zinc/27/58/15/646275815.db2.gz	ZPCOYMZAXUOUIP-YMTOWFKASA-N	0	1	380.413	2.449	20	5		GEBDMN
CS[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C[C@@H]1N1CCCC1	ZINC000332071298	647410002	/nfs/dbraw/zinc/41/00/02/647410002.db2.gz	CIAPATSDTNQIDC-LSDHHAIUSA-N	0	1	385.511	2.104	20	5		GEBDMN
Cn1cnc(CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1	ZINC000416538893	648165568	/nfs/dbraw/zinc/16/55/68/648165568.db2.gz	XFVGQRYAGIHAMA-UHFFFAOYSA-N	0	1	379.225	2.156	20	5		GEBDMN
CN1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)C1	ZINC000608783472	651607595	/nfs/dbraw/zinc/60/75/95/651607595.db2.gz	KKGVJPYXICXJAX-VIFPVBQESA-N	0	1	389.193	2.023	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCOC[C@@H]1CCOC1	ZINC000610263458	651652442	/nfs/dbraw/zinc/65/24/42/651652442.db2.gz	OHQOEMXDRMDNBF-SECBINFHSA-N	0	1	399.252	2.233	20	5		GEBDMN
COCCN1CCC[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1	ZINC000610572493	651671431	/nfs/dbraw/zinc/67/14/31/651671431.db2.gz	OTCWKACWCMLGNE-GFCCVEGCSA-N	0	1	386.246	2.198	20	5		GEBDMN
C[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCCC1	ZINC000570812133	651793622	/nfs/dbraw/zinc/79/36/22/651793622.db2.gz	JRUBQICOYPDSOI-JTQLQIEISA-N	0	1	381.376	2.376	20	5		GEBDMN
CN(C)[C@@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccsc1	ZINC000578549910	652277500	/nfs/dbraw/zinc/27/75/00/652277500.db2.gz	GMHUDSVHGFMEDH-INIZCTEOSA-N	0	1	383.495	2.323	20	5		GEBDMN
O=C([O-])[C@H]1Cc2c(Br)cccc2C[N@@H+]1CCn1cc([N+](=O)[O-])cn1	ZINC000578995701	652310409	/nfs/dbraw/zinc/31/04/09/652310409.db2.gz	QLTPNKXIUVDKPM-CQSZACIVSA-N	0	1	395.213	2.065	20	5		GEBDMN
O=C([O-])[C@H]1Cc2c(Br)cccc2C[N@H+]1CCn1cc([N+](=O)[O-])cn1	ZINC000578995701	652310417	/nfs/dbraw/zinc/31/04/17/652310417.db2.gz	QLTPNKXIUVDKPM-CQSZACIVSA-N	0	1	395.213	2.065	20	5		GEBDMN
CCn1cc(S(=O)(=O)Nc2c3nsnc3ccc2Cl)c([N+](=O)[O-])n1	ZINC000756935555	652509219	/nfs/dbraw/zinc/50/92/19/652509219.db2.gz	GMIDTONNVIPNAC-UHFFFAOYSA-N	0	1	388.818	2.270	20	5		GEBDMN
COCc1nc(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)n[nH]1	ZINC000596887612	652765254	/nfs/dbraw/zinc/76/52/54/652765254.db2.gz	GNZXLDGCYNVJER-UHFFFAOYSA-N	0	1	399.205	2.252	20	5		GEBDMN
COCc1nnc(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)[nH]1	ZINC000596887612	652765262	/nfs/dbraw/zinc/76/52/62/652765262.db2.gz	GNZXLDGCYNVJER-UHFFFAOYSA-N	0	1	399.205	2.252	20	5		GEBDMN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)n1	ZINC000599248654	652854822	/nfs/dbraw/zinc/85/48/22/652854822.db2.gz	PPXSXCLBZBEWME-QMMMGPOBSA-N	0	1	393.208	2.047	20	5		GEBDMN
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@]1(N(C)C)CCSC1	ZINC000769909098	653189205	/nfs/dbraw/zinc/18/92/05/653189205.db2.gz	SSHIACIPNCNKCD-AWEZNQCLSA-N	0	1	393.918	2.272	20	5		GEBDMN
CNS(=O)(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)ccc1O	ZINC000807385155	653191715	/nfs/dbraw/zinc/19/17/15/653191715.db2.gz	MXFQLBMHPXZGBU-UHFFFAOYSA-N	0	1	385.785	2.114	20	5		GEBDMN
Cn1cc(CNC(C)(C)COc2ncccc2Br)c([N+](=O)[O-])n1	ZINC000602797609	653206800	/nfs/dbraw/zinc/20/68/00/653206800.db2.gz	KOYRSGDFFOEBBD-UHFFFAOYSA-N	0	1	384.234	2.433	20	5		GEBDMN
O=[N+]([O-])c1cnn(CCN2CC[C@@H](Oc3cncc(Br)c3)C2)c1	ZINC000602885585	653212704	/nfs/dbraw/zinc/21/27/04/653212704.db2.gz	GEXRHBVZYSGABF-CYBMUJFWSA-N	0	1	382.218	2.102	20	5		GEBDMN
COC(=O)[C@@](C)(NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CC1	ZINC000809818639	653300301	/nfs/dbraw/zinc/30/03/01/653300301.db2.gz	NGXWWKNPMUUSGY-ZDUSSCGKSA-N	0	1	380.781	2.007	20	5		GEBDMN
CC1(C)OCC(NCc2cc(I)cc([N+](=O)[O-])c2)CO1	ZINC000810153253	653328531	/nfs/dbraw/zinc/32/85/31/653328531.db2.gz	SKFUBKWSDVDPLK-UHFFFAOYSA-N	0	1	392.193	2.441	20	5		GEBDMN
O=[N+]([O-])c1sc(CNC[C@@H]2COC3(CCOCC3)O2)cc1Br	ZINC000877142257	653468434	/nfs/dbraw/zinc/46/84/34/653468434.db2.gz	RKRSNGZLMSTMJE-SECBINFHSA-N	0	1	393.259	2.431	20	5		GEBDMN
CN1C[C@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)[C@H]2C1	ZINC000813741035	653613676	/nfs/dbraw/zinc/61/36/76/653613676.db2.gz	NFUMIOVIBCBWPG-PELKAZGASA-N	0	1	380.253	2.226	20	5		GEBDMN
CCC[C@H](C)C(=O)NCCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000814284727	653626886	/nfs/dbraw/zinc/62/68/86/653626886.db2.gz	AKWZJBKJQZEIIX-VIFPVBQESA-N	0	1	395.840	2.218	20	5		GEBDMN
O=C(Cn1cc([N+](=O)[O-])cn1)OCc1nc2ccc(Br)cc2[nH]1	ZINC000780531466	653627577	/nfs/dbraw/zinc/62/75/77/653627577.db2.gz	WQLKOYSJCLBODN-UHFFFAOYSA-N	0	1	380.158	2.174	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CC[C@@H](N2CCCC2)C1	ZINC000815009729	653642988	/nfs/dbraw/zinc/64/29/88/653642988.db2.gz	BOSRFPHPLMNOBF-SNVBAGLBSA-N	0	1	377.825	2.246	20	5		GEBDMN
C[C@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815018635	653644151	/nfs/dbraw/zinc/64/41/51/653644151.db2.gz	WDNLOPINAYLMCW-JOYOIKCWSA-N	0	1	379.841	2.348	20	5		GEBDMN
Cc1nnc(CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])n1C1CC1	ZINC000815032640	653646364	/nfs/dbraw/zinc/64/63/64/653646364.db2.gz	KUZALPQHDHCUNH-UHFFFAOYSA-N	0	1	389.796	2.101	20	5		GEBDMN
C[C@H](CCc1ccc(I)cc1)NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000839747529	653662334	/nfs/dbraw/zinc/66/23/34/653662334.db2.gz	IIBADQAAQNQHGZ-OASPWFOLSA-N	0	1	388.205	2.394	20	5		GEBDMN
CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000840395082	653684640	/nfs/dbraw/zinc/68/46/40/653684640.db2.gz	JEMYYVDAEFGUJT-FRRDWIJNSA-N	0	1	375.208	2.249	20	5		GEBDMN
CN(c1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1)S(=O)(=O)c1cccs1	ZINC000841011439	653704903	/nfs/dbraw/zinc/70/49/03/653704903.db2.gz	IPTCMXUKJJMCHQ-CHWSQXEVSA-N	0	1	382.419	2.144	20	5		GEBDMN
C[N@@H+]1CCC[C@@H](CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1	ZINC000841546307	653730881	/nfs/dbraw/zinc/73/08/81/653730881.db2.gz	LPCGBEKXOXJWKV-JTQLQIEISA-N	0	1	379.841	2.398	20	5		GEBDMN
C[N@H+]1CCC[C@@H](CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1	ZINC000841546307	653730884	/nfs/dbraw/zinc/73/08/84/653730884.db2.gz	LPCGBEKXOXJWKV-JTQLQIEISA-N	0	1	379.841	2.398	20	5		GEBDMN
COC(=O)[C@@H](CC1CC1)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000841555733	653732404	/nfs/dbraw/zinc/73/24/04/653732404.db2.gz	PDWLGIDECIFHNN-SNVBAGLBSA-N	0	1	380.781	2.007	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@H]2CCN(CC(F)F)C2)c1	ZINC000841572164	653736521	/nfs/dbraw/zinc/73/65/21/653736521.db2.gz	MFTLHTICDNZTFQ-ZETCQYMHSA-N	0	1	387.767	2.005	20	5		GEBDMN
O=C(c1cc(Br)[nH]n1)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000788264912	653753577	/nfs/dbraw/zinc/75/35/77/653753577.db2.gz	OVYQUOUETRWDHK-UHFFFAOYSA-N	0	1	380.202	2.043	20	5		GEBDMN
O=C(c1cc(Br)[nH]n1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1	ZINC000788280833	653753798	/nfs/dbraw/zinc/75/37/98/653753798.db2.gz	JKWDTOMTIMSSRR-UHFFFAOYSA-N	0	1	380.202	2.043	20	5		GEBDMN
C[C@@H]1[C@@H](N(C)C)CCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-]	ZINC000820595636	653777489	/nfs/dbraw/zinc/77/74/89/653777489.db2.gz	OCTPJQULNGSZEF-KOLCDFICSA-N	0	1	381.376	2.417	20	5		GEBDMN
Cc1cc(=O)n(C)cc1NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000821185891	653792599	/nfs/dbraw/zinc/79/25/99/653792599.db2.gz	RTYNGRZVAGJOKK-UHFFFAOYSA-N	0	1	375.765	2.195	20	5		GEBDMN
COC(=O)[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)CC1CC1	ZINC000845990878	653877946	/nfs/dbraw/zinc/87/79/46/653877946.db2.gz	CRUJAYLODSUSMS-SECBINFHSA-N	0	1	394.808	2.255	20	5		GEBDMN
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1CN(C)CCN1C	ZINC000896539987	653883568	/nfs/dbraw/zinc/88/35/68/653883568.db2.gz	CMNOWQHCPSJZBV-IAQYHMDHSA-N	0	1	399.289	2.030	20	5		GEBDMN
O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1CN1CCN(C2CC2)CC1	ZINC000795412617	653951101	/nfs/dbraw/zinc/95/11/01/653951101.db2.gz	CFPUFVUEUDFGSR-UHFFFAOYSA-N	0	1	395.257	2.051	20	5		GEBDMN
COC(=O)CCCCCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000795767404	653965730	/nfs/dbraw/zinc/96/57/30/653965730.db2.gz	FZZUIXAEYGDMAT-UHFFFAOYSA-N	0	1	382.797	2.399	20	5		GEBDMN
CS[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[C@H]1N(C)C	ZINC000795897299	653975841	/nfs/dbraw/zinc/97/58/41/653975841.db2.gz	SYSKZFSQMPYXOF-MNOVXSKESA-N	0	1	397.881	2.053	20	5		GEBDMN
CC(C)[N@H+](C)CC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000795940984	653978697	/nfs/dbraw/zinc/97/86/97/653978697.db2.gz	ZNZVEWMONFOSGC-UHFFFAOYSA-N	0	1	398.254	2.115	20	5		GEBDMN
CC(C)[N@@H+](C)CC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000795940984	653978703	/nfs/dbraw/zinc/97/87/03/653978703.db2.gz	ZNZVEWMONFOSGC-UHFFFAOYSA-N	0	1	398.254	2.115	20	5		GEBDMN
COC(=O)C[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C1CC1	ZINC000849469524	654043577	/nfs/dbraw/zinc/04/35/77/654043577.db2.gz	XCBBXTUMUWOHTC-VIFPVBQESA-N	0	1	394.808	2.255	20	5		GEBDMN
CCCN1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1	ZINC000851821624	654183910	/nfs/dbraw/zinc/18/39/10/654183910.db2.gz	WAOXHZFIRDHTGK-SNVBAGLBSA-N	0	1	392.275	2.120	20	5		GEBDMN
Cc1nc(CN2CCN(c3ccc(C)c(Br)c3[N+](=O)[O-])CC2)n[nH]1	ZINC000804592992	654314522	/nfs/dbraw/zinc/31/45/22/654314522.db2.gz	MMCXKOUSXBMWTJ-UHFFFAOYSA-N	0	1	395.261	2.414	20	5		GEBDMN
Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]([C@H]2CCOC2)C(F)(F)F)cc1C	ZINC000921863088	654334912	/nfs/dbraw/zinc/33/49/12/654334912.db2.gz	UOQDDCSOFKLMQS-GWCFXTLKSA-N	0	1	382.360	2.457	20	5		GEBDMN
Cn1ncc(I)c1CNCCc1cccc([N+](=O)[O-])c1	ZINC000894365739	654469915	/nfs/dbraw/zinc/46/99/15/654469915.db2.gz	GRHPGWDYGKJQKH-UHFFFAOYSA-N	0	1	386.193	2.265	20	5		GEBDMN
CN(CC(=O)N1CC[C@@H](N2CCC2)C1)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000912909099	654774092	/nfs/dbraw/zinc/77/40/92/654774092.db2.gz	XGBWGBVKGLLYDL-CYBMUJFWSA-N	0	1	397.273	2.100	20	5		GEBDMN
CN(CC(=O)N1CC[C@H](N2CCC2)C1)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000912909100	654774114	/nfs/dbraw/zinc/77/41/14/654774114.db2.gz	XGBWGBVKGLLYDL-ZDUSSCGKSA-N	0	1	397.273	2.100	20	5		GEBDMN
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1	ZINC001164727869	720409224	/nfs/dbraw/zinc/40/92/24/720409224.db2.gz	SAICEVHMAWEEFH-MSOLQXFVSA-N	0	1	397.435	2.415	20	5		GEBDMN
CCOC(=O)c1ccnc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c1[N+](=O)[O-]	ZINC001164732254	720470380	/nfs/dbraw/zinc/47/03/80/720470380.db2.gz	YVNIVLKYWMVVPY-DLBZAZTESA-N	0	1	397.435	2.415	20	5		GEBDMN
CCOc1nc(N2CCc3ncc(CN4CCCC4)n3CC2)ccc1[N+](=O)[O-]	ZINC001164736328	720574763	/nfs/dbraw/zinc/57/47/63/720574763.db2.gz	ITMHEOHIUUFXJU-UHFFFAOYSA-N	0	1	386.456	2.244	20	5		GEBDMN
Cn1cc(CN2CC[C@@H]3CN(c4ncc(Cl)cc4[N+](=O)[O-])C[C@@H]3C2)cn1	ZINC001164771585	721077378	/nfs/dbraw/zinc/07/73/78/721077378.db2.gz	SCESOHNZPJJYLU-KGLIPLIRSA-N	0	1	376.848	2.335	20	5		GEBDMN
Cn1cc(CN2CC[C@H]3CN(c4cnc5cc([N+](=O)[O-])ccc5n4)C[C@@H]3C2)cn1	ZINC001164762137	721091847	/nfs/dbraw/zinc/09/18/47/721091847.db2.gz	COSVAUNALWTOQA-HOTGVXAUSA-N	0	1	393.451	2.230	20	5		GEBDMN
O=[N+]([O-])c1ccc(-c2ccc(N3C[C@H]4CN(CC5CC5)C[C@@H](C3)O4)nn2)cc1	ZINC001164966667	722075343	/nfs/dbraw/zinc/07/53/43/722075343.db2.gz	FYLAEKYXXZTPOU-HDICACEKSA-N	0	1	381.436	2.351	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1SCC(N)=O	ZINC000017320149	531571906	/nfs/dbraw/zinc/57/19/06/531571906.db2.gz	NZRAQMDPUZMNMN-UHFFFAOYSA-N	0	1	381.435	2.281	20	5		GEBDMN
CCN1CCC(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1	ZINC000120697688	531990539	/nfs/dbraw/zinc/99/05/39/531990539.db2.gz	OSMDSKGZGKJGDH-UHFFFAOYSA-N	0	1	392.275	2.120	20	5		GEBDMN
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCOc1ccc(Cl)cn1	ZINC000125692335	532141038	/nfs/dbraw/zinc/14/10/38/532141038.db2.gz	JLFXBOFAPFJAOP-UHFFFAOYSA-N	0	1	375.765	2.140	20	5		GEBDMN
CCc1nn(C)c(OC)c1CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000180174093	532259615	/nfs/dbraw/zinc/25/96/15/532259615.db2.gz	RCPUKZILTHONQG-UHFFFAOYSA-N	0	1	388.833	2.031	20	5		GEBDMN
O=C(NCCCCN1CCOCC1)c1cccc([N+](=O)[O-])c1Br	ZINC000180534133	532274199	/nfs/dbraw/zinc/27/41/99/532274199.db2.gz	NFVUNMUGVWMIPM-UHFFFAOYSA-N	0	1	386.246	2.200	20	5		GEBDMN
C[C@@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)nc1	ZINC000181400399	532297866	/nfs/dbraw/zinc/29/78/66/532297866.db2.gz	FHIIMVSGYFAOED-LLVKDONJSA-N	0	1	384.845	2.272	20	5		GEBDMN
O=[N+]([O-])c1cc(I)cc(CNCc2n[nH]c(C3CC3)n2)c1	ZINC000294681504	532376249	/nfs/dbraw/zinc/37/62/49/532376249.db2.gz	BQSVYMORERTJHZ-UHFFFAOYSA-N	0	1	399.192	2.485	20	5		GEBDMN
C[C@@H]1CN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C[C@H](C)N1	ZINC000591681102	532419280	/nfs/dbraw/zinc/41/92/80/532419280.db2.gz	GOVYUOIGUQDKNW-DTORHVGOSA-N	0	1	389.193	2.022	20	5		GEBDMN
CCN1C[C@H](CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1=O	ZINC000593641440	532491230	/nfs/dbraw/zinc/49/12/30/532491230.db2.gz	QWODBTDSQUDLEW-QMMMGPOBSA-N	0	1	396.252	2.048	20	5		GEBDMN
O=C(NC1(c2nn[nH]n2)CCCC1)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000433158807	532557805	/nfs/dbraw/zinc/55/78/05/532557805.db2.gz	QQFMTQMJCHGGPP-UHFFFAOYSA-N	0	1	381.190	2.070	20	5		GEBDMN
Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1cccc(S(C)(=O)=O)c1	ZINC000473760543	532599624	/nfs/dbraw/zinc/59/96/24/532599624.db2.gz	BGMNAQOKFMCPFS-UHFFFAOYSA-N	0	1	384.435	2.416	20	5		GEBDMN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCCc3sc(Cl)cc32)n1	ZINC000599312176	532658042	/nfs/dbraw/zinc/65/80/42/532658042.db2.gz	RSDJLQDOBAHASV-MRVPVSSYSA-N	0	1	376.847	2.399	20	5		GEBDMN
C[C@@H](NCCN(C)S(=O)(=O)c1cccs1)c1ccc(N)c([N+](=O)[O-])c1	ZINC000285454053	532682132	/nfs/dbraw/zinc/68/21/32/532682132.db2.gz	ZPWRKYSTOMFFMQ-LLVKDONJSA-N	0	1	384.483	2.210	20	5		GEBDMN
COCCN1CCC[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1	ZINC000610905318	532719625	/nfs/dbraw/zinc/71/96/25/532719625.db2.gz	LSYNMXBUVVTMEZ-ZDUSSCGKSA-N	0	1	386.246	2.198	20	5		GEBDMN
CCOCc1nc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)no1	ZINC000289442307	532855248	/nfs/dbraw/zinc/85/52/48/532855248.db2.gz	DWIYVFISNVXBNB-MRVPVSSYSA-N	0	1	390.805	2.207	20	5		GEBDMN
Cc1nc([C@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)n[nH]1	ZINC000289835990	532866192	/nfs/dbraw/zinc/86/61/92/532866192.db2.gz	LLMFQSGHESZDIU-YFKPBYRVSA-N	0	1	380.213	2.368	20	5		GEBDMN
COCc1nc(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cs1	ZINC000290032978	532870771	/nfs/dbraw/zinc/87/07/71/532870771.db2.gz	CBIDWQMFUWBLLL-UHFFFAOYSA-N	0	1	395.821	2.469	20	5		GEBDMN
COC(=O)[C@@H](NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C)c1cccs1	ZINC000416390964	532874876	/nfs/dbraw/zinc/87/48/76/532874876.db2.gz	POFYIXIUPHCDCM-AWEZNQCLSA-N	0	1	384.435	2.466	20	5		GEBDMN
Cc1sc(C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cc1[N+](=O)[O-]	ZINC000290272926	532876964	/nfs/dbraw/zinc/87/69/64/532876964.db2.gz	CCXROGJPWZUZOC-VIFPVBQESA-N	0	1	379.360	2.495	20	5		GEBDMN
C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCN1C	ZINC000290759392	532888815	/nfs/dbraw/zinc/88/88/15/532888815.db2.gz	NJKBXFZCCOUAEK-VHSXEESVSA-N	0	1	379.841	2.491	20	5		GEBDMN
C[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC000736198468	599309619	/nfs/dbraw/zinc/30/96/19/599309619.db2.gz	JEDKBAJGMLKFRI-ZDUSSCGKSA-N	0	1	380.412	2.053	20	5		GEBDMN
COc1cc(N2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)ccc1[N+](=O)[O-]	ZINC000821719367	599465291	/nfs/dbraw/zinc/46/52/91/599465291.db2.gz	CRASQAYMTIUQAH-UHFFFAOYSA-N	0	1	395.423	2.106	20	5		GEBDMN
O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1	ZINC000833117817	601740679	/nfs/dbraw/zinc/74/06/79/601740679.db2.gz	ZPIRTXLXGKPXTI-OAQYLSRUSA-N	0	1	397.431	2.373	20	5		GEBDMN
Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1	ZINC000833009946	601740948	/nfs/dbraw/zinc/74/09/48/601740948.db2.gz	RZPWCZLJNRZKCB-FQEVSTJZSA-N	0	1	398.419	2.147	20	5		GEBDMN
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](CN(C)C(=O)[O-])C1	ZINC000739872775	601850492	/nfs/dbraw/zinc/85/04/92/601850492.db2.gz	SMBNCNUQYMVIDI-ZDUSSCGKSA-N	0	1	394.428	2.254	20	5		GEBDMN
CC[C@H]1C[N@@H+](CCn2cccn2)CCN1c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000829149479	602317036	/nfs/dbraw/zinc/31/70/36/602317036.db2.gz	HXTBDMIFRDGIMQ-HNNXBMFYSA-N	0	1	387.440	2.399	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc(F)cc2Cl)c1-c1nn[nH]n1	ZINC000826500188	607574854	/nfs/dbraw/zinc/57/48/54/607574854.db2.gz	NXHWHOXPRNOSJK-UHFFFAOYSA-N	0	1	399.747	2.335	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)NCCC2CCCCC2)c1-c1nn[nH]n1	ZINC000826500331	607586486	/nfs/dbraw/zinc/58/64/86/607586486.db2.gz	UJNPUNDPYXEGNB-UHFFFAOYSA-N	0	1	380.430	2.024	20	5		GEBDMN
CC(C)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000824214805	607605790	/nfs/dbraw/zinc/60/57/90/607605790.db2.gz	IFOPAOZGPKMGRK-NWDGAFQWSA-N	0	1	394.457	2.268	20	5		GEBDMN
CC(C)(C)CCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000824086843	607607829	/nfs/dbraw/zinc/60/78/29/607607829.db2.gz	NVHSPFOAWKCUGG-UHFFFAOYSA-N	0	1	382.446	2.270	20	5		GEBDMN
C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-]	ZINC000833635250	605021289	/nfs/dbraw/zinc/02/12/89/605021289.db2.gz	RDNSLQNGIIPFAG-OCCSQVGLSA-N	0	1	393.465	2.470	20	5		GEBDMN
O=C([O-])N[C@@H]1CCC[C@@H]2C[N@@H+](Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]21	ZINC000834187149	605323423	/nfs/dbraw/zinc/32/34/23/605323423.db2.gz	YLPQWIGASYMNGG-FVQBIDKESA-N	0	1	386.412	2.179	20	5		GEBDMN
O=C([O-])N[C@@H]1CCC[C@@H]2C[N@@H+](Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@H]21	ZINC000834183586	605327413	/nfs/dbraw/zinc/32/74/13/605327413.db2.gz	PNSFXVIVAILIRL-FVQBIDKESA-N	0	1	386.412	2.179	20	5		GEBDMN
CC(C)[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1	ZINC000820039049	606733670	/nfs/dbraw/zinc/73/36/70/606733670.db2.gz	UONFPOMIOVHJFP-LBPRGKRZSA-N	0	1	394.457	2.222	20	5		GEBDMN
C[C@@H](c1ccccc1)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000820570519	607153158	/nfs/dbraw/zinc/15/31/58/607153158.db2.gz	LLTCCJVKKJAZKQ-NSHDSACASA-N	0	1	388.409	2.157	20	5		GEBDMN
Cc1cccc(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)c1C	ZINC000822309203	607156073	/nfs/dbraw/zinc/15/60/73/607156073.db2.gz	PQVQCPCMUNMHMO-UHFFFAOYSA-N	0	1	388.409	2.217	20	5		GEBDMN
CC[NH+]1CCN(c2ccc(Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])cc2)CC1	ZINC000821276752	607162688	/nfs/dbraw/zinc/16/26/88/607162688.db2.gz	MZSBNLMQHREVTP-UHFFFAOYSA-N	0	1	395.427	2.055	20	5		GEBDMN
CC[NH+]1CCN(c2ccc(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])cc2)CC1	ZINC000821276752	607162690	/nfs/dbraw/zinc/16/26/90/607162690.db2.gz	MZSBNLMQHREVTP-UHFFFAOYSA-N	0	1	395.427	2.055	20	5		GEBDMN
O=C(NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1n[nH]cc1[N+](=O)[O-]	ZINC000826441307	608328400	/nfs/dbraw/zinc/32/84/00/608328400.db2.gz	YDKNTECGTUFNDH-UHFFFAOYSA-N	0	1	390.363	2.095	20	5		GEBDMN
C[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccc(-c2nn[nH]n2)c1	ZINC000824555482	608487013	/nfs/dbraw/zinc/48/70/13/608487013.db2.gz	WSKDPUIFPIBRMH-GFCCVEGCSA-N	0	1	393.407	2.015	20	5		GEBDMN
Cc1ccc([C@H](C)NCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-]	ZINC000826283384	608554014	/nfs/dbraw/zinc/55/40/14/608554014.db2.gz	PNHVBKKOBXNFEI-LBPRGKRZSA-N	0	1	381.396	2.373	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc3ccncc3c2)c1-c1nn[nH]n1	ZINC000826500224	609315590	/nfs/dbraw/zinc/31/55/90/609315590.db2.gz	OXKRBOKASVQHCH-UHFFFAOYSA-N	0	1	398.360	2.091	20	5		GEBDMN
C[C@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCN1C	ZINC000447028583	649994781	/nfs/dbraw/zinc/99/47/81/649994781.db2.gz	OLTQDFHWIJXZGN-VHSXEESVSA-N	0	1	381.376	2.375	20	5		GEBDMN
C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCN1C	ZINC000462484181	650481720	/nfs/dbraw/zinc/48/17/20/650481720.db2.gz	JJXCNZVYKXWGFU-KOLCDFICSA-N	0	1	392.275	2.118	20	5		GEBDMN
COc1cc(S(=O)(=O)Nc2cccc(C[S@](C)=O)c2)ccc1[N+](=O)[O-]	ZINC000468929296	650508458	/nfs/dbraw/zinc/50/84/58/650508458.db2.gz	JVRSJSYUDYVAMY-DEOSSOPVSA-N	0	1	384.435	2.283	20	5		GEBDMN
CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1	ZINC000475790026	650538833	/nfs/dbraw/zinc/53/88/33/650538833.db2.gz	JMNDAZNSOLVTBB-UHFFFAOYSA-N	0	1	388.398	2.328	20	5		GEBDMN
COCCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1cc([N+](=O)[O-])ccc1Cl	ZINC000007553661	642341739	/nfs/dbraw/zinc/34/17/39/642341739.db2.gz	OUSYEEYXDRPVLS-CYBMUJFWSA-N	0	1	385.829	2.231	20	5		GEBDMN
Cc1cc(CNS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])no1	ZINC000044414224	642578284	/nfs/dbraw/zinc/57/82/84/642578284.db2.gz	AGRCDXKTBZICHR-UHFFFAOYSA-N	0	1	376.188	2.132	20	5		GEBDMN
CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1	ZINC000534942137	650782483	/nfs/dbraw/zinc/78/24/83/650782483.db2.gz	BFGPRHJSCDWOTF-UHFFFAOYSA-N	0	1	384.435	2.498	20	5		GEBDMN
CCn1cc(S(=O)(=O)Nc2cc(NC(C)=O)ccc2Cl)c([N+](=O)[O-])n1	ZINC000535990085	650793175	/nfs/dbraw/zinc/79/31/75/650793175.db2.gz	OCRRWLIPHQVERU-UHFFFAOYSA-N	0	1	387.805	2.224	20	5		GEBDMN
CN(CCN1CCCC1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000066578847	642923810	/nfs/dbraw/zinc/92/38/10/642923810.db2.gz	HXUUDBRITJCAJC-UHFFFAOYSA-N	0	1	392.275	2.074	20	5		GEBDMN
CN(CCN1CCCC1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000120328788	643600350	/nfs/dbraw/zinc/60/03/50/643600350.db2.gz	VXVNUYADCRNTMJ-UHFFFAOYSA-N	0	1	392.275	2.074	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)NCCNCc2sccc2Cl)cc1	ZINC000193061254	645236699	/nfs/dbraw/zinc/23/66/99/645236699.db2.gz	PPKRVEAGODCDCM-UHFFFAOYSA-N	0	1	375.859	2.378	20	5		GEBDMN
O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNCc1sccc1Cl	ZINC000193110980	645243108	/nfs/dbraw/zinc/24/31/08/645243108.db2.gz	FFYRDVRITSCUQE-UHFFFAOYSA-N	0	1	375.859	2.378	20	5		GEBDMN
COc1ccc([N+](=O)[O-])cc1CNS(=O)(=O)c1c(F)cc(F)cc1F	ZINC000193815491	645301836	/nfs/dbraw/zinc/30/18/36/645301836.db2.gz	NIBOHNFNRRWKLK-UHFFFAOYSA-N	0	1	376.312	2.499	20	5		GEBDMN
C[C@H](CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)N1CCCC1	ZINC000547715988	651043029	/nfs/dbraw/zinc/04/30/29/651043029.db2.gz	OVCBNFZMHRRQON-SNVBAGLBSA-N	0	1	392.275	2.120	20	5		GEBDMN
O=C(NC1(c2nnc[nH]2)CCC1)c1cc(F)cc([N+](=O)[O-])c1Br	ZINC000280786709	646716826	/nfs/dbraw/zinc/71/68/26/646716826.db2.gz	KNKYYZYOUWHFRO-UHFFFAOYSA-N	0	1	384.165	2.424	20	5		GEBDMN
O=C(Nc1ccccc1Br)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC000362987088	647578390	/nfs/dbraw/zinc/57/83/90/647578390.db2.gz	UTBCKFGTKFSCJG-RISCZKNCSA-N	0	1	396.241	2.291	20	5		GEBDMN
CC1(C)Oc2ccsc2[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H]1O	ZINC000416557371	648170997	/nfs/dbraw/zinc/17/09/97/648170997.db2.gz	ZIPVQCHEJBWHEA-OCCSQVGLSA-N	0	1	384.435	2.208	20	5		GEBDMN
COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C(C)C)C(F)(F)F	ZINC000416640069	648198173	/nfs/dbraw/zinc/19/81/73/648198173.db2.gz	XVOYOFMYJMZSCM-LLVKDONJSA-N	0	1	384.332	2.247	20	5		GEBDMN
CS(=O)(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1Cl	ZINC000442240711	648839564	/nfs/dbraw/zinc/83/95/64/648839564.db2.gz	XIRUQWDKZASFGS-UHFFFAOYSA-N	0	1	390.826	2.453	20	5		GEBDMN
O=[N+]([O-])c1cc(I)cc(Cn2cc(CNC3CC3)nn2)c1	ZINC000603238688	651473359	/nfs/dbraw/zinc/47/33/59/651473359.db2.gz	WHWVWKFYEMLSHR-UHFFFAOYSA-N	0	1	399.192	2.091	20	5		GEBDMN
O=C(NCc1nnc[nH]1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1	ZINC000609875495	651634540	/nfs/dbraw/zinc/63/45/40/651634540.db2.gz	OJXSWMJJYDQOTM-UHFFFAOYSA-N	0	1	382.167	2.135	20	5		GEBDMN
O=C(NC1(c2nn[nH]n2)CCCC1)c1ccc([N+](=O)[O-])cc1Br	ZINC000610066193	651641606	/nfs/dbraw/zinc/64/16/06/651641606.db2.gz	WRGZDFMOZILBKZ-UHFFFAOYSA-N	0	1	381.190	2.070	20	5		GEBDMN
CCc1cc(CNS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])on1	ZINC000741250949	651941813	/nfs/dbraw/zinc/94/18/13/651941813.db2.gz	WYBLBCYXQDTKFL-UHFFFAOYSA-N	0	1	390.215	2.386	20	5		GEBDMN
O=C(CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])OCC1CC1	ZINC000742287372	651973730	/nfs/dbraw/zinc/97/37/30/651973730.db2.gz	GZNGCLONNJUOGO-UHFFFAOYSA-N	0	1	383.209	2.133	20	5		GEBDMN
Cc1cc(Cl)c(S(=O)(=O)NC[C@@]2(N(C)C)CCSC2)cc1[N+](=O)[O-]	ZINC000752261051	652383016	/nfs/dbraw/zinc/38/30/16/652383016.db2.gz	NXLPPUHNFWZUFJ-AWEZNQCLSA-N	0	1	393.918	2.272	20	5		GEBDMN
CC1(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])OCCCO1	ZINC000752838236	652394462	/nfs/dbraw/zinc/39/44/62/652394462.db2.gz	VJNBKBQBLAACOR-UHFFFAOYSA-N	0	1	385.225	2.333	20	5		GEBDMN
CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1	ZINC000593332439	652617326	/nfs/dbraw/zinc/61/73/26/652617326.db2.gz	MSCVESVPOOEMCK-LLVKDONJSA-N	0	1	378.166	2.494	20	5		GEBDMN
CO[C@H]1CS(=O)(=O)C[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1	ZINC000594964937	652698687	/nfs/dbraw/zinc/69/86/87/652698687.db2.gz	FDGKQVLSPUUJFZ-GJZGRUSLSA-N	0	1	382.463	2.225	20	5		GEBDMN
Nc1c(NS(=O)(=O)CCOCC(F)(F)F)cc(Cl)cc1[N+](=O)[O-]	ZINC000596022805	652748186	/nfs/dbraw/zinc/74/81/86/652748186.db2.gz	WWDNKVUKJYDWEB-UHFFFAOYSA-N	0	1	377.728	2.151	20	5		GEBDMN
CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H](O)C(F)(F)F	ZINC000765741863	652851082	/nfs/dbraw/zinc/85/10/82/652851082.db2.gz	PFNNOXKSDOCEMI-OIBJUYFYSA-N	0	1	376.740	2.228	20	5		GEBDMN
CS[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C[C@@H]1N(C)C	ZINC000767315379	652919832	/nfs/dbraw/zinc/91/98/32/652919832.db2.gz	NSPHJUSIXNVJER-STQMWFEESA-N	0	1	393.918	2.223	20	5		GEBDMN
CN(C)C1(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)Cc2ccccc2C1	ZINC000768843502	653131170	/nfs/dbraw/zinc/13/11/70/653131170.db2.gz	VKLRDAUXVQSYMN-UHFFFAOYSA-N	0	1	381.479	2.034	20	5		GEBDMN
Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1	ZINC000769673520	653170670	/nfs/dbraw/zinc/17/06/70/653170670.db2.gz	ZFQFJOVHRAKBDA-UHFFFAOYSA-N	0	1	388.398	2.247	20	5		GEBDMN
COCCO[C@@H]1COCC[C@H]1NCc1cc(Br)c([N+](=O)[O-])s1	ZINC000602621287	653195735	/nfs/dbraw/zinc/19/57/35/653195735.db2.gz	CPVAHKFPYWJBSP-VXGBXAGGSA-N	0	1	395.275	2.329	20	5		GEBDMN
O=[N+]([O-])c1sc(CNC[C@H]2CCC[N@H+]2CCCO)cc1Br	ZINC000602673205	653199640	/nfs/dbraw/zinc/19/96/40/653199640.db2.gz	JGZVUALVDQSNOS-SNVBAGLBSA-N	0	1	378.292	2.355	20	5		GEBDMN
C[C@@](O)(CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(F)(F)F	ZINC000809828620	653304639	/nfs/dbraw/zinc/30/46/39/653304639.db2.gz	PDEGWHPFOMKZRS-SECBINFHSA-N	0	1	397.158	2.493	20	5		GEBDMN
CC(C)(CO)[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C1CC1	ZINC000810107020	653325340	/nfs/dbraw/zinc/32/53/40/653325340.db2.gz	TXGIDOKFKMTPFN-ZDUSSCGKSA-N	0	1	380.825	2.463	20	5		GEBDMN
COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-]	ZINC000813500732	653511461	/nfs/dbraw/zinc/51/14/61/653511461.db2.gz	KGYNKJGINSTEIL-NSHDSACASA-N	0	1	387.179	2.139	20	5		GEBDMN
CS[C@H]1CN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C[C@H]1N(C)C	ZINC000779916454	653616099	/nfs/dbraw/zinc/61/60/99/653616099.db2.gz	ASQFOULEWWSEKG-NEPJUHHUSA-N	0	1	393.918	2.223	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000814990251	653642163	/nfs/dbraw/zinc/64/21/63/653642163.db2.gz	JIMCIGVIEUNOFG-NWDGAFQWSA-N	0	1	377.825	2.292	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CC[N@H+]2CCCC[C@H]12	ZINC000814990251	653642164	/nfs/dbraw/zinc/64/21/64/653642164.db2.gz	JIMCIGVIEUNOFG-NWDGAFQWSA-N	0	1	377.825	2.292	20	5		GEBDMN
Cc1nn(C)c(C)c1CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815019550	653644167	/nfs/dbraw/zinc/64/41/67/653644167.db2.gz	QDSLHRWOOUKMEC-UHFFFAOYSA-N	0	1	376.797	2.216	20	5		GEBDMN
CC[C@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@H](O)C(F)(F)F	ZINC000815029963	653646049	/nfs/dbraw/zinc/64/60/49/653646049.db2.gz	UKWRDKRRGRKTKA-XVKPBYJWSA-N	0	1	394.730	2.367	20	5		GEBDMN
CN1CCC[C@@]2(CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)C2)C1	ZINC000815064889	653649261	/nfs/dbraw/zinc/64/92/61/653649261.db2.gz	KKHVPEPMAALACR-OAHLLOKOSA-N	0	1	391.852	2.494	20	5		GEBDMN
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCc2n[nH]c(C(C)(C)C)n2)c1	ZINC000841538074	653729771	/nfs/dbraw/zinc/72/97/71/653729771.db2.gz	BTUCNWYPKFACQC-UHFFFAOYSA-N	0	1	387.849	2.451	20	5		GEBDMN
C[C@@H]1CN(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])C[C@H](C)N1C	ZINC000818626300	653734804	/nfs/dbraw/zinc/73/48/04/653734804.db2.gz	UBSJDWYUXQBIJO-TXEJJXNPSA-N	0	1	399.289	2.345	20	5		GEBDMN
C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1	ZINC000842699323	653763548	/nfs/dbraw/zinc/76/35/48/653763548.db2.gz	KULXWPARDPOXIL-VHSXEESVSA-N	0	1	392.275	2.024	20	5		GEBDMN
O=C([C@@H]1CC1[N+](=O)[O-])N(CCn1ccnc1)Cc1ccccc1Br	ZINC000820042434	653765539	/nfs/dbraw/zinc/76/55/39/653765539.db2.gz	HXHFHPKDTWOASO-UKRRQHHQSA-N	0	1	393.241	2.340	20	5		GEBDMN
C[C@]1(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCC[NH2+]C1	ZINC000842827327	653769976	/nfs/dbraw/zinc/76/99/76/653769976.db2.gz	SMNFGVXSMOTKCQ-ZDUSSCGKSA-N	0	1	392.275	2.025	20	5		GEBDMN
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CCC[C@@H]1CCC[NH2+]1	ZINC000842896551	653772860	/nfs/dbraw/zinc/77/28/60/653772860.db2.gz	WRFZQVVUKMPBAV-NSHDSACASA-N	0	1	392.275	2.168	20	5		GEBDMN
C[C@H]1[C@@H](N(C)C)CCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-]	ZINC000820595643	653777513	/nfs/dbraw/zinc/77/75/13/653777513.db2.gz	OCTPJQULNGSZEF-ONGXEEELSA-N	0	1	381.376	2.417	20	5		GEBDMN
CN1CC[C@H](N2CCC(Nc3cccc(Br)c3[N+](=O)[O-])CC2)C1=O	ZINC000865885885	653778727	/nfs/dbraw/zinc/77/87/27/653778727.db2.gz	BJIYBYPVNPJUEV-AWEZNQCLSA-N	0	1	397.273	2.464	20	5		GEBDMN
CCN1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1I	ZINC000882485034	653784455	/nfs/dbraw/zinc/78/44/55/653784455.db2.gz	FBMDHXBVLQIMEF-SNVBAGLBSA-N	0	1	389.193	2.023	20	5		GEBDMN
O=C(NCC1CN(c2ccc([N+](=O)[O-])cc2Br)C1)C(F)(F)F	ZINC000866293764	653790392	/nfs/dbraw/zinc/79/03/92/653790392.db2.gz	BLLASPBZWPWKRF-UHFFFAOYSA-N	0	1	382.136	2.472	20	5		GEBDMN
O=[N+]([O-])c1cc(Br)ccc1CN[C@@H]1CCCS(=O)(=O)CC1	ZINC000895610789	653843462	/nfs/dbraw/zinc/84/34/62/653843462.db2.gz	ITUFSPBHHAKLPA-GFCCVEGCSA-N	0	1	377.260	2.414	20	5		GEBDMN
CN(C)C1(CS(=O)(=O)Oc2c(Br)cccc2[N+](=O)[O-])CC1	ZINC000866987929	653860706	/nfs/dbraw/zinc/86/07/06/653860706.db2.gz	PXCWPACFBKNDAH-UHFFFAOYSA-N	0	1	379.232	2.160	20	5		GEBDMN
C[C@H](CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CCN(C)CC1	ZINC000896429136	653879673	/nfs/dbraw/zinc/87/96/73/653879673.db2.gz	SHFTVFMGVPFYCB-SECBINFHSA-N	0	1	393.246	2.406	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC[C@H](CO)c2ccccc2)c1	ZINC000795874899	653973710	/nfs/dbraw/zinc/97/37/10/653973710.db2.gz	AHVHBEKLHLEPHJ-LLVKDONJSA-N	0	1	388.804	2.442	20	5		GEBDMN
CC(C)COC(=O)[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000795901282	653976185	/nfs/dbraw/zinc/97/61/85/653976185.db2.gz	JVLKGUKJKOQFMH-QMMMGPOBSA-N	0	1	382.797	2.253	20	5		GEBDMN
CC(C)[C@@H](O)C1(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1	ZINC000795910996	653976916	/nfs/dbraw/zinc/97/69/16/653976916.db2.gz	ADDDRHWAEXJNQE-CYBMUJFWSA-N	0	1	380.825	2.463	20	5		GEBDMN
CC(C)(C)n1ncnc1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000795968690	653980469	/nfs/dbraw/zinc/98/04/69/653980469.db2.gz	MCACRTODLQTWOX-UHFFFAOYSA-N	0	1	391.812	2.212	20	5		GEBDMN
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000849458145	654039708	/nfs/dbraw/zinc/03/97/08/654039708.db2.gz	CQJSAJVIEOQOFX-PWSUYJOCSA-N	0	1	382.772	2.341	20	5		GEBDMN
C[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)Cn1cccn1	ZINC000798225691	654054888	/nfs/dbraw/zinc/05/48/88/654054888.db2.gz	HJOZXWHSJYCPPR-SECBINFHSA-N	0	1	376.797	2.198	20	5		GEBDMN
O=C(CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)NC1CCCCC1	ZINC000798226499	654055321	/nfs/dbraw/zinc/05/53/21/654055321.db2.gz	OTXGBVFGZWJAAE-UHFFFAOYSA-N	0	1	393.824	2.115	20	5		GEBDMN
COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)n1	ZINC001164729499	720483091	/nfs/dbraw/zinc/48/30/91/720483091.db2.gz	RFCALSNDDOCCBN-JKSUJKDBSA-N	0	1	383.408	2.025	20	5		GEBDMN
Cn1cc(CN2CC[C@@H]3CN(c4nccc(Cl)c4[N+](=O)[O-])C[C@H]3C2)cn1	ZINC001164765853	721077930	/nfs/dbraw/zinc/07/79/30/721077930.db2.gz	JXVNMJLKURPJJB-ZIAGYGMSSA-N	0	1	376.848	2.335	20	5		GEBDMN
Cc1nc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)ccc1[N+](=O)[O-]	ZINC001164894036	721383460	/nfs/dbraw/zinc/38/34/60/721383460.db2.gz	WJJRSKLYXWRBPP-XLIONFOSSA-N	0	1	389.500	2.064	20	5		GEBDMN
Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164906378	721543237	/nfs/dbraw/zinc/54/32/37/721543237.db2.gz	KHIUHQDZXBOJAX-NVXWUHKLSA-N	0	1	388.399	2.018	20	5		GEBDMN
Cc1ncc([N+](=O)[O-])c(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1	ZINC001164963222	722055267	/nfs/dbraw/zinc/05/52/67/722055267.db2.gz	IWINWRDWFHFPDH-UHFFFAOYSA-N	0	1	398.467	2.207	20	5		GEBDMN
CN(CCC[NH+]1CCN(C)CC1)C(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000121944219	532052505	/nfs/dbraw/zinc/05/25/05/532052505.db2.gz	YBEABMBPDIDTQM-UHFFFAOYSA-N	0	1	399.289	2.067	20	5		GEBDMN
CC(C)N(CCN(C)C)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000123488999	532099775	/nfs/dbraw/zinc/09/97/75/532099775.db2.gz	NROFAKNGWDLTNE-UHFFFAOYSA-N	0	1	394.291	2.318	20	5		GEBDMN
C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](CO)c1cccc(Br)c1	ZINC000125604742	532139226	/nfs/dbraw/zinc/13/92/26/532139226.db2.gz	ROLKCFIDQYUQNI-OAHLLOKOSA-N	0	1	396.241	2.184	20	5		GEBDMN
CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H](CO)c1cccc(Br)c1	ZINC000125604742	532139230	/nfs/dbraw/zinc/13/92/30/532139230.db2.gz	ROLKCFIDQYUQNI-OAHLLOKOSA-N	0	1	396.241	2.184	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CCN(c3cc[nH+]cc3)CC2)s1	ZINC000180198567	532260762	/nfs/dbraw/zinc/26/07/62/532260762.db2.gz	NLYCWAIVFGBYGG-UHFFFAOYSA-N	0	1	382.467	2.246	20	5		GEBDMN
C[C@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)nc1	ZINC000181400377	532297861	/nfs/dbraw/zinc/29/78/61/532297861.db2.gz	FHIIMVSGYFAOED-NSHDSACASA-N	0	1	384.845	2.272	20	5		GEBDMN
COc1ccsc1[C@H](C)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000186133857	532339975	/nfs/dbraw/zinc/33/99/75/532339975.db2.gz	SPPROPOKULYJMJ-NSHDSACASA-N	0	1	385.467	2.294	20	5		GEBDMN
O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@H](O)[C@@H](O)C3)o2)c(Br)c1	ZINC000278325881	532374527	/nfs/dbraw/zinc/37/45/27/532374527.db2.gz	GPVFOVODQBMNOD-KBPBESRZSA-N	0	1	383.198	2.155	20	5		GEBDMN
C[C@H]1C[N@H+](CCC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCO1	ZINC000277995425	532368822	/nfs/dbraw/zinc/36/88/22/532368822.db2.gz	UVQGPZNPACRSQR-LBPRGKRZSA-N	0	1	391.877	2.027	20	5		GEBDMN
C[C@H]1C[N@@H+](CCC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCO1	ZINC000277995425	532368826	/nfs/dbraw/zinc/36/88/26/532368826.db2.gz	UVQGPZNPACRSQR-LBPRGKRZSA-N	0	1	391.877	2.027	20	5		GEBDMN
Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1nc2ccc(Br)cc2[nH]1	ZINC000464578182	532398827	/nfs/dbraw/zinc/39/88/27/532398827.db2.gz	MKCPIHPFJLXGDV-UHFFFAOYSA-N	0	1	379.174	2.377	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCCO[C@@H]1CCOC1	ZINC000465496743	532417592	/nfs/dbraw/zinc/41/75/92/532417592.db2.gz	VGQKZJIHPUSJIG-SNVBAGLBSA-N	0	1	399.252	2.376	20	5		GEBDMN
O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3COC[C@H]3O)o2)c(Br)c1	ZINC000295699246	532470022	/nfs/dbraw/zinc/47/00/22/532470022.db2.gz	TWZJISBKAFLMIU-ZIAGYGMSSA-N	0	1	383.198	2.467	20	5		GEBDMN
CCN1C[C@@H](CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1=O	ZINC000593641439	532491851	/nfs/dbraw/zinc/49/18/51/532491851.db2.gz	QWODBTDSQUDLEW-MRVPVSSYSA-N	0	1	396.252	2.048	20	5		GEBDMN
CN1CC[C@@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)C[C@@H]21	ZINC000375710749	532577591	/nfs/dbraw/zinc/57/75/91/532577591.db2.gz	MWAIPPXZVIYTIA-SKDRFNHKSA-N	0	1	377.825	2.102	20	5		GEBDMN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCc2cc(Cl)cc(Cl)c2)n1	ZINC000599220281	532652908	/nfs/dbraw/zinc/65/29/08/532652908.db2.gz	BADRUZVQZQJBTM-UHFFFAOYSA-N	0	1	379.225	2.156	20	5		GEBDMN
O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)c1cc([N+](=O)[O-])c[nH]1	ZINC000608854180	532715277	/nfs/dbraw/zinc/71/52/77/532715277.db2.gz	RWWCCLFFWAXRAU-UHFFFAOYSA-N	0	1	391.185	2.401	20	5		GEBDMN
O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)c1cc([N+](=O)[O-])c[nH]1	ZINC000608854180	532715282	/nfs/dbraw/zinc/71/52/82/532715282.db2.gz	RWWCCLFFWAXRAU-UHFFFAOYSA-N	0	1	391.185	2.401	20	5		GEBDMN
Cc1cc(NS(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)ccc1[N+](=O)[O-]	ZINC000538756449	532717907	/nfs/dbraw/zinc/71/79/07/532717907.db2.gz	BYCSVZIVZYPKPQ-UHFFFAOYSA-N	0	1	384.435	2.249	20	5		GEBDMN
Cc1nnc([C@@H](C)NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)o1	ZINC000610898599	532719322	/nfs/dbraw/zinc/71/93/22/532719322.db2.gz	DGIHIMNJBJQJOE-ZCFIWIBFSA-N	0	1	391.203	2.088	20	5		GEBDMN
C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CCN1C	ZINC000286190997	532733160	/nfs/dbraw/zinc/73/31/60/532733160.db2.gz	ZVJUDKTZEZJPBJ-NXEZZACHSA-N	0	1	379.841	2.491	20	5		GEBDMN
C[C@H]1CN(C2CCN(c3ncc([N+](=O)[O-])cc3Br)CC2)CCO1	ZINC000301521039	532753672	/nfs/dbraw/zinc/75/36/72/532753672.db2.gz	GXGNAQVXFZCRCN-NSHDSACASA-N	0	1	385.262	2.442	20	5		GEBDMN
CS[C@H]1CN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C[C@@H]1N(C)C	ZINC000330598275	532821974	/nfs/dbraw/zinc/82/19/74/532821974.db2.gz	WPNZSXAWIZBTSD-KBPBESRZSA-N	0	1	393.918	2.223	20	5		GEBDMN
CS[C@H]1CN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C[C@@H]1N1CCCC1	ZINC000274728630	532855313	/nfs/dbraw/zinc/85/53/13/532855313.db2.gz	DINHYERMSGPCKB-GJZGRUSLSA-N	0	1	385.511	2.104	20	5		GEBDMN
CCN(C)C(=O)[C@@H](C)NCc1cc(I)cc([N+](=O)[O-])c1	ZINC000289487829	532856882	/nfs/dbraw/zinc/85/68/82/532856882.db2.gz	KPLZBGFQAIAWKQ-SECBINFHSA-N	0	1	391.209	2.156	20	5		GEBDMN
CCc1[nH]nc(C(=O)N2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1Br	ZINC000363745239	532900616	/nfs/dbraw/zinc/90/06/16/532900616.db2.gz	HYPLEEIOXSSGCV-SECBINFHSA-N	0	1	397.233	2.317	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CC[C@@H](N3CCCC3)C2)cc1Cl	ZINC000368140832	532930342	/nfs/dbraw/zinc/93/03/42/532930342.db2.gz	AZBCBJHZQKCPJV-SNVBAGLBSA-N	0	1	377.825	2.246	20	5		GEBDMN
O=C(NC1(c2cccc(-c3nn[nH]n3)c2)CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000826429060	607424832	/nfs/dbraw/zinc/42/48/32/607424832.db2.gz	SWWFSXQRTNMSTK-UHFFFAOYSA-N	0	1	390.363	2.070	20	5		GEBDMN
COc1ccc(NC(=O)[C@H](C)[NH+]2CCC3(C[C@H]3C(=O)[O-])CC2)c([N+](=O)[O-])c1	ZINC000738025162	600309580	/nfs/dbraw/zinc/30/95/80/600309580.db2.gz	GJGMNTGDHMNHOB-AAEUAGOBSA-N	0	1	377.397	2.117	20	5		GEBDMN
O=[N+]([O-])c1ccc(N2CCC[N@H+](Cc3ccccc3)CC2)cc1-c1nnn[n-]1	ZINC000826498882	607451231	/nfs/dbraw/zinc/45/12/31/607451231.db2.gz	NCFOPBJBLHVPFF-UHFFFAOYSA-N	0	1	379.424	2.487	20	5		GEBDMN
O=[N+]([O-])c1ccc(N2CCC[N@@H+](Cc3ccccc3)CC2)cc1-c1nnn[n-]1	ZINC000826498882	607451233	/nfs/dbraw/zinc/45/12/33/607451233.db2.gz	NCFOPBJBLHVPFF-UHFFFAOYSA-N	0	1	379.424	2.487	20	5		GEBDMN
O=[N+]([O-])c1ccc(N2CCC[N@H+](Cc3ccccc3)CC2)cc1-c1nn[n-]n1	ZINC000826498882	607451234	/nfs/dbraw/zinc/45/12/34/607451234.db2.gz	NCFOPBJBLHVPFF-UHFFFAOYSA-N	0	1	379.424	2.487	20	5		GEBDMN
O=[N+]([O-])c1ccc(N2CCC[N@@H+](Cc3ccccc3)CC2)cc1-c1nn[n-]n1	ZINC000826498882	607451236	/nfs/dbraw/zinc/45/12/36/607451236.db2.gz	NCFOPBJBLHVPFF-UHFFFAOYSA-N	0	1	379.424	2.487	20	5		GEBDMN
O=C([O-])c1ccc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000833322117	601145240	/nfs/dbraw/zinc/14/52/40/601145240.db2.gz	WTBOIJJZDVORGF-UHFFFAOYSA-N	0	1	399.403	2.016	20	5		GEBDMN
CCCNC(=O)C[NH+]1CCC(Nc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1	ZINC000829513421	601545629	/nfs/dbraw/zinc/54/56/29/601545629.db2.gz	MVRWDOVJMIDHNJ-UHFFFAOYSA-N	0	1	378.429	2.004	20	5		GEBDMN
O=C([O-])N1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000740516585	601927921	/nfs/dbraw/zinc/92/79/21/601927921.db2.gz	LWVRVURPNSNPPS-RYQLBKOJSA-N	0	1	393.440	2.331	20	5		GEBDMN
CCC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCN(C(=O)[O-])C1	ZINC000739355310	602545738	/nfs/dbraw/zinc/54/57/38/602545738.db2.gz	YCBBFWRAKDLIKT-LBPRGKRZSA-N	0	1	380.401	2.006	20	5		GEBDMN
CCC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCN(C(=O)[O-])C1	ZINC000739355310	602545739	/nfs/dbraw/zinc/54/57/39/602545739.db2.gz	YCBBFWRAKDLIKT-LBPRGKRZSA-N	0	1	380.401	2.006	20	5		GEBDMN
O=C([O-])NC[C@@H]1CCCC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21	ZINC000740623091	602992618	/nfs/dbraw/zinc/99/26/18/602992618.db2.gz	LKPNFHLWTRKJLO-ZDUSSCGKSA-N	0	1	378.385	2.015	20	5		GEBDMN
CC(C)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000824214808	607605725	/nfs/dbraw/zinc/60/57/25/607605725.db2.gz	IFOPAOZGPKMGRK-RYUDHWBXSA-N	0	1	394.457	2.268	20	5		GEBDMN
C[C@@H]1CCCC[C@H]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000824936168	607616825	/nfs/dbraw/zinc/61/68/25/607616825.db2.gz	FGHLYJOGHKRXMN-NEPJUHHUSA-N	0	1	394.457	2.270	20	5		GEBDMN
Cc1nn(C[NH+]2CCC(N(CC3CC3)C(=O)[O-])CC2)c2ncc([N+](=O)[O-])cc12	ZINC000830870935	603495319	/nfs/dbraw/zinc/49/53/19/603495319.db2.gz	OPPJBRUUTLNAPC-UHFFFAOYSA-N	0	1	388.428	2.460	20	5		GEBDMN
CC[C@H](NC(=O)NCCC[NH+]1CCN(C(=O)[O-])CC1)c1cccc([N+](=O)[O-])c1	ZINC000826613333	603628901	/nfs/dbraw/zinc/62/89/01/603628901.db2.gz	HXZPQTZWRNDACB-INIZCTEOSA-N	0	1	393.444	2.031	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c1-c1nn[nH]n1	ZINC000826500259	607650434	/nfs/dbraw/zinc/65/04/34/607650434.db2.gz	QIPLCNDRRHYVGJ-IJLUTSLNSA-N	0	1	392.441	2.022	20	5		GEBDMN
CC(C)[C@@H](CC[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)NC(=O)[O-]	ZINC000824098496	603848508	/nfs/dbraw/zinc/84/85/08/603848508.db2.gz	JQOGGIFSMSUUMV-OAHLLOKOSA-N	0	1	378.429	2.098	20	5		GEBDMN
CC(C)[C@@H](CC[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)NC(=O)[O-]	ZINC000824098496	603848509	/nfs/dbraw/zinc/84/85/09/603848509.db2.gz	JQOGGIFSMSUUMV-OAHLLOKOSA-N	0	1	378.429	2.098	20	5		GEBDMN
Cc1c(NC(=O)CC[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])cccc1[N+](=O)[O-]	ZINC000829880055	603975360	/nfs/dbraw/zinc/97/53/60/603975360.db2.gz	BPZNUDSAUREEIP-KGLIPLIRSA-N	0	1	376.413	2.449	20	5		GEBDMN
C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1	ZINC000825256678	604228478	/nfs/dbraw/zinc/22/84/78/604228478.db2.gz	ZHEXNWBGEJUSCJ-ZENOOKHLSA-N	0	1	376.413	2.068	20	5		GEBDMN
C[C@H](NC(=O)[O-])[C@@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1	ZINC000825256678	604228482	/nfs/dbraw/zinc/22/84/82/604228482.db2.gz	ZHEXNWBGEJUSCJ-ZENOOKHLSA-N	0	1	376.413	2.068	20	5		GEBDMN
CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1	ZINC000833417562	604937610	/nfs/dbraw/zinc/93/76/10/604937610.db2.gz	VATBDSAQHSBFNX-CQSZACIVSA-N	0	1	375.425	2.307	20	5		GEBDMN
C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])CC[N@H+]1C	ZINC000833601929	605020837	/nfs/dbraw/zinc/02/08/37/605020837.db2.gz	XQYLULYPERJDCA-RYUDHWBXSA-N	0	1	381.454	2.374	20	5		GEBDMN
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-]	ZINC000833622307	605021977	/nfs/dbraw/zinc/02/19/77/605021977.db2.gz	HCXCOXVJOQRROB-ABAIWWIYSA-N	0	1	393.465	2.374	20	5		GEBDMN
Cc1cc([N+](=O)[O-])ccc1N1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000822212997	606136330	/nfs/dbraw/zinc/13/63/30/606136330.db2.gz	QBSAYCMICFASFJ-UHFFFAOYSA-N	0	1	379.424	2.406	20	5		GEBDMN
Cc1ccc([C@H](CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])[NH+]2CCCC2)o1	ZINC000822230565	606707043	/nfs/dbraw/zinc/70/70/43/606707043.db2.gz	KBUBHGOVJBAHDY-ZDUSSCGKSA-N	0	1	384.400	2.320	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1	ZINC000823621024	606707438	/nfs/dbraw/zinc/70/74/38/606707438.db2.gz	VRWRVHBOWNSLMB-CQSZACIVSA-N	0	1	386.460	2.262	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1	ZINC000823621024	606707439	/nfs/dbraw/zinc/70/74/39/606707439.db2.gz	VRWRVHBOWNSLMB-CQSZACIVSA-N	0	1	386.460	2.262	20	5		GEBDMN
CC[C@@H]1CCCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000820980674	606733951	/nfs/dbraw/zinc/73/39/51/606733951.db2.gz	MJVLDROLZCJBNG-LLVKDONJSA-N	0	1	380.430	2.118	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC3(C2)CCCCC3)c1-c1nn[nH]n1	ZINC000823648337	606735476	/nfs/dbraw/zinc/73/54/76/606735476.db2.gz	VCWWQEFUJFUAGL-UHFFFAOYSA-N	0	1	392.441	2.120	20	5		GEBDMN
CC(C)C[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1	ZINC000820069294	606735512	/nfs/dbraw/zinc/73/55/12/606735512.db2.gz	ZHEMVSVMUFNUEP-LBPRGKRZSA-N	0	1	394.457	2.222	20	5		GEBDMN
CCC[C@@H](C)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000821014437	607143928	/nfs/dbraw/zinc/14/39/28/607143928.db2.gz	HEOWXCGWKVQKDT-NEPJUHHUSA-N	0	1	394.457	2.364	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(Cl)c2F)c1-c1nn[nH]n1	ZINC000823646820	607154183	/nfs/dbraw/zinc/15/41/83/607154183.db2.gz	AMWUIUQXQRTODT-UHFFFAOYSA-N	0	1	398.763	2.368	20	5		GEBDMN
Cc1cccc(NC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(-c4nn[nH]n4)c3)C2)n1	ZINC000826299542	607841474	/nfs/dbraw/zinc/84/14/74/607841474.db2.gz	KBJSTPCADIYMJA-ZDUSSCGKSA-N	0	1	380.412	2.417	20	5		GEBDMN
Cc1ccc([C@H](C)NCC(=O)NCc2cccc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-]	ZINC000826282735	608554277	/nfs/dbraw/zinc/55/42/77/608554277.db2.gz	BIICWZJLOYMGDS-ZDUSSCGKSA-N	0	1	395.423	2.050	20	5		GEBDMN
C[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000824897892	608564783	/nfs/dbraw/zinc/56/47/83/608564783.db2.gz	CKFOBEZTCKDMAC-WOPDTQHZSA-N	0	1	392.441	2.117	20	5		GEBDMN
COc1cc(Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)ccc1[N+](=O)[O-]	ZINC000826179811	609418856	/nfs/dbraw/zinc/41/88/56/609418856.db2.gz	FRLXRJXLTGGXDE-UHFFFAOYSA-N	0	1	378.348	2.147	20	5		GEBDMN
C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCN1C	ZINC000447024680	649994871	/nfs/dbraw/zinc/99/48/71/649994871.db2.gz	AIXYNNOXQYFWCR-ZJUUUORDSA-N	0	1	392.275	2.118	20	5		GEBDMN
C[C@@H](Cn1cccn1)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000462432629	650479089	/nfs/dbraw/zinc/47/90/89/650479089.db2.gz	OCKFTIOTHKEMIJ-QMMMGPOBSA-N	0	1	379.225	2.465	20	5		GEBDMN
C[C@H]1C[C@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCN1C	ZINC000462484180	650481661	/nfs/dbraw/zinc/48/16/61/650481661.db2.gz	JJXCNZVYKXWGFU-GXSJLCMTSA-N	0	1	392.275	2.118	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](Cc2nc[nH]n2)c2ccccc2)s1	ZINC000509715595	650499522	/nfs/dbraw/zinc/49/95/22/650499522.db2.gz	WKGZSPZKEKQGBN-NSHDSACASA-N	0	1	379.423	2.037	20	5		GEBDMN
CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(S(C)(=O)=O)c1	ZINC000515261161	650590507	/nfs/dbraw/zinc/59/05/07/650590507.db2.gz	QYWRSQVDDSROGA-UHFFFAOYSA-N	0	1	384.435	2.362	20	5		GEBDMN
COC[C@](C)(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F	ZINC000479139531	650597240	/nfs/dbraw/zinc/59/72/40/650597240.db2.gz	IUJOBGSMUAKYMA-JTQLQIEISA-N	0	1	376.740	2.494	20	5		GEBDMN
COc1c(F)cc(S(=O)(=O)Nc2ccc([S@@](C)=O)cc2)cc1[N+](=O)[O-]	ZINC000488248370	650743643	/nfs/dbraw/zinc/74/36/43/650743643.db2.gz	HXAGHDHNNLDIQG-XMMPIXPASA-N	0	1	388.398	2.281	20	5		GEBDMN
CN(CCN1CCCC1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000103162146	643157833	/nfs/dbraw/zinc/15/78/33/643157833.db2.gz	FHIHCJYYFILOCH-UHFFFAOYSA-N	0	1	392.275	2.074	20	5		GEBDMN
CNC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000497993644	650845091	/nfs/dbraw/zinc/84/50/91/650845091.db2.gz	ONBPPVNHVVNLEV-PSASIEDQSA-N	0	1	396.252	2.095	20	5		GEBDMN
CN(C)CCN(Cc1cccs1)S(=O)(=O)c1csc([N+](=O)[O-])c1	ZINC000119949184	643580985	/nfs/dbraw/zinc/58/09/85/643580985.db2.gz	CZHDTLCRHYQVQA-UHFFFAOYSA-N	0	1	375.497	2.470	20	5		GEBDMN
Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)ccc1S(C)(=O)=O	ZINC000498482456	650858142	/nfs/dbraw/zinc/85/81/42/650858142.db2.gz	CWQHRZQZBHJQQQ-UHFFFAOYSA-N	0	1	384.435	2.416	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](O)CS(=O)(=O)c1cccs1	ZINC000540155402	650858175	/nfs/dbraw/zinc/85/81/75/650858175.db2.gz	MAEBNDWQRKFLAS-OCCSQVGLSA-N	0	1	384.479	2.450	20	5		GEBDMN
CCc1nc(CS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])n[nH]1	ZINC000125202995	643703139	/nfs/dbraw/zinc/70/31/39/643703139.db2.gz	WMRBGPBYQNYIJU-UHFFFAOYSA-N	0	1	375.204	2.012	20	5		GEBDMN
Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(CC(N)=O)cc2)cc1[N+](=O)[O-]	ZINC000176638211	644401730	/nfs/dbraw/zinc/40/17/30/644401730.db2.gz	PTODSMJHVHBSAW-UHFFFAOYSA-N	0	1	383.813	2.385	20	5		GEBDMN
COc1cc(CN[C@H](C)C[S@@](C)=O)c([N+](=O)[O-])cc1OCC(F)(F)F	ZINC000184257142	645014018	/nfs/dbraw/zinc/01/40/18/645014018.db2.gz	BBCQZLYGNYOXST-UVJXUPGXSA-N	0	1	384.376	2.401	20	5		GEBDMN
O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCN(C[C@@H]2CCOC2)CC1	ZINC000267448275	645903458	/nfs/dbraw/zinc/90/34/58/645903458.db2.gz	FDGWEAXPJLYYOT-LBPRGKRZSA-N	0	1	398.257	2.152	20	5		GEBDMN
O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCN(C[C@H]2CCOC2)CC1	ZINC000267448274	645903642	/nfs/dbraw/zinc/90/36/42/645903642.db2.gz	FDGWEAXPJLYYOT-GFCCVEGCSA-N	0	1	398.257	2.152	20	5		GEBDMN
Cc1nnc(SCC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[nH]1	ZINC000279340755	646592782	/nfs/dbraw/zinc/59/27/82/646592782.db2.gz	RUIMQGFHEFEQIU-UHFFFAOYSA-N	0	1	375.332	2.449	20	5		GEBDMN
Cc1n[nH]c(SCC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1	ZINC000279340755	646592786	/nfs/dbraw/zinc/59/27/86/646592786.db2.gz	RUIMQGFHEFEQIU-UHFFFAOYSA-N	0	1	375.332	2.449	20	5		GEBDMN
Cn1ncc2c1CCC[C@H]2NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000281080923	646744306	/nfs/dbraw/zinc/74/43/06/646744306.db2.gz	BUXLQRVFIJUJNG-LLVKDONJSA-N	0	1	388.808	2.477	20	5		GEBDMN
O=C(Nc1ccccc1Br)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC000362987086	647577752	/nfs/dbraw/zinc/57/77/52/647577752.db2.gz	UTBCKFGTKFSCJG-BXUZGUMPSA-N	0	1	396.241	2.291	20	5		GEBDMN
Cc1nc([C@@H](C)NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1	ZINC000416491625	648146679	/nfs/dbraw/zinc/14/66/79/648146679.db2.gz	ZUDDUKUYWWWOMV-ZCFIWIBFSA-N	0	1	379.320	2.080	20	5		GEBDMN
CN(C[C@H]1CCCN1C)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000420744571	648448447	/nfs/dbraw/zinc/44/84/47/648448447.db2.gz	XPCSYXKOTCYWKT-LLVKDONJSA-N	0	1	381.376	2.328	20	5		GEBDMN
CN(C[C@H]1CCCN1C)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000420772738	648455351	/nfs/dbraw/zinc/45/53/51/648455351.db2.gz	VANIGGWYWKFJIF-LLVKDONJSA-N	0	1	392.275	2.072	20	5		GEBDMN
CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])c1	ZINC000427754026	648728668	/nfs/dbraw/zinc/72/86/68/648728668.db2.gz	QSQCGSPNMBBWFT-UHFFFAOYSA-N	0	1	385.785	2.043	20	5		GEBDMN
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H](CO)c1c(F)cccc1F	ZINC000443276050	648871043	/nfs/dbraw/zinc/87/10/43/648871043.db2.gz	XGKGPQIHCZIUGL-LLVKDONJSA-N	0	1	376.312	2.024	20	5		GEBDMN
Cc1sc(C(=O)OCC2=Nc3ccccc3S(=O)(=O)N2)cc1[N+](=O)[O-]	ZINC000727185624	651515134	/nfs/dbraw/zinc/51/51/34/651515134.db2.gz	FJQVTYRSYHZAMV-UHFFFAOYSA-N	0	1	381.391	2.144	20	5		GEBDMN
O=C([O-])[C@H]1Cc2c(Br)cccc2C[N@@H+]1CCn1ccc([N+](=O)[O-])n1	ZINC000566368598	651609300	/nfs/dbraw/zinc/60/93/00/651609300.db2.gz	YXSYFUAYQOJQIV-CYBMUJFWSA-N	0	1	395.213	2.065	20	5		GEBDMN
O=C([O-])[C@H]1Cc2c(Br)cccc2C[N@H+]1CCn1ccc([N+](=O)[O-])n1	ZINC000566368598	651609306	/nfs/dbraw/zinc/60/93/06/651609306.db2.gz	YXSYFUAYQOJQIV-CYBMUJFWSA-N	0	1	395.213	2.065	20	5		GEBDMN
CCc1cc(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)n[nH]1	ZINC000738391190	651895272	/nfs/dbraw/zinc/89/52/72/651895272.db2.gz	GVNSSHKMWWJJDW-UHFFFAOYSA-N	0	1	389.231	2.121	20	5		GEBDMN
CCOC(=O)CSc1nnc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])s1	ZINC000745363327	652076005	/nfs/dbraw/zinc/07/60/05/652076005.db2.gz	PFPYQEBAVCLVSD-UHFFFAOYSA-N	0	1	386.386	2.493	20	5		GEBDMN
Cc1cc(CNCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cnc1Cl	ZINC000760664007	652620077	/nfs/dbraw/zinc/62/00/77/652620077.db2.gz	QNDIKMIZKHKDEI-UHFFFAOYSA-N	0	1	384.845	2.020	20	5		GEBDMN
COC1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2Br)CC1	ZINC000760838062	652625740	/nfs/dbraw/zinc/62/57/40/652625740.db2.gz	MULRJGOJQKQGTJ-UHFFFAOYSA-N	0	1	386.246	2.198	20	5		GEBDMN
COC(=O)[C@@H](CCF)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000593631665	652630331	/nfs/dbraw/zinc/63/03/31/652630331.db2.gz	DVWYQPBUVAUYBB-MRVPVSSYSA-N	0	1	389.188	2.081	20	5		GEBDMN
O=C(NCc1n[nH]c([C@H]2CCCO2)n1)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000594384587	652646533	/nfs/dbraw/zinc/64/65/33/652646533.db2.gz	DXOYSVOLCYAFKU-LLVKDONJSA-N	0	1	396.201	2.257	20	5		GEBDMN
O=C(NCc1n[nH]c([C@@H]2CCCO2)n1)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000594384588	652646782	/nfs/dbraw/zinc/64/67/82/652646782.db2.gz	DXOYSVOLCYAFKU-NSHDSACASA-N	0	1	396.201	2.257	20	5		GEBDMN
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12	ZINC000762527727	652698122	/nfs/dbraw/zinc/69/81/22/652698122.db2.gz	VQPLCBSHXNKGCJ-ADEWGFFLSA-N	0	1	378.472	2.392	20	5		GEBDMN
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12	ZINC000762527729	652698216	/nfs/dbraw/zinc/69/82/16/652698216.db2.gz	VQPLCBSHXNKGCJ-JLLWLGSASA-N	0	1	378.472	2.392	20	5		GEBDMN
C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCN1C	ZINC000765195903	652830319	/nfs/dbraw/zinc/83/03/19/652830319.db2.gz	URYPKEKECGIHDJ-NXEZZACHSA-N	0	1	392.275	2.118	20	5		GEBDMN
CS[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C[C@H]1N(C)C	ZINC000767314614	652919273	/nfs/dbraw/zinc/91/92/73/652919273.db2.gz	HSVZQOJQVRFOHB-OLZOCXBDSA-N	0	1	393.918	2.223	20	5		GEBDMN
Cc1c(CS(C)(=O)=O)cccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1	ZINC000768881064	653135120	/nfs/dbraw/zinc/13/51/20/653135120.db2.gz	JTQVIHWJEYVBQN-UHFFFAOYSA-N	0	1	390.464	2.310	20	5		GEBDMN
COC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)cn1C	ZINC000769630525	653166816	/nfs/dbraw/zinc/16/68/16/653166816.db2.gz	LFUGXDVHSYPVEH-UHFFFAOYSA-N	0	1	387.801	2.483	20	5		GEBDMN
CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2nc(-c3ccccc3)n[nH]2)s1	ZINC000769862852	653182983	/nfs/dbraw/zinc/18/29/83/653182983.db2.gz	DMLYWRGSVBEEIG-UHFFFAOYSA-N	0	1	379.423	2.457	20	5		GEBDMN
CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2n[nH]c(-c3ccccc3)n2)s1	ZINC000769862852	653182986	/nfs/dbraw/zinc/18/29/86/653182986.db2.gz	DMLYWRGSVBEEIG-UHFFFAOYSA-N	0	1	379.423	2.457	20	5		GEBDMN
COC(=O)C(C)(C)CS(=O)(=O)Nc1ccc(Br)c([N+](=O)[O-])c1	ZINC000808099762	653217906	/nfs/dbraw/zinc/21/79/06/653217906.db2.gz	YOVXPEXAHFMPES-UHFFFAOYSA-N	0	1	395.231	2.298	20	5		GEBDMN
CCO[C@@H](CC[NH+](C)C)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000809825864	653303321	/nfs/dbraw/zinc/30/33/21/653303321.db2.gz	USDFMQPQHQKJND-JTQLQIEISA-N	0	1	397.856	2.022	20	5		GEBDMN
O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC[C@H](c2nn[nH]n2)C1	ZINC000775547271	653316789	/nfs/dbraw/zinc/31/67/89/653316789.db2.gz	VJNGVHAALDANEX-ZETCQYMHSA-N	0	1	399.180	2.029	20	5		GEBDMN
CN1C[C@@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)[C@@H]2C1	ZINC000813741037	653613833	/nfs/dbraw/zinc/61/38/33/653613833.db2.gz	NFUMIOVIBCBWPG-QPUJVOFHSA-N	0	1	380.253	2.226	20	5		GEBDMN
CCc1nnc([C@@H](C)NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[nH]1	ZINC000815029578	653646127	/nfs/dbraw/zinc/64/61/27/653646127.db2.gz	PHGGMNOYYXQMKM-ZCFIWIBFSA-N	0	1	377.785	2.107	20	5		GEBDMN
COCc1nc(CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])cs1	ZINC000815047175	653647980	/nfs/dbraw/zinc/64/79/80/653647980.db2.gz	KWKWEFNKKKVERS-UHFFFAOYSA-N	0	1	395.821	2.469	20	5		GEBDMN
COC(=O)[C@]12CN(Cc3cccc([N+](=O)[O-])c3Br)C[C@H]1COCC2	ZINC000839587378	653656419	/nfs/dbraw/zinc/65/64/19/653656419.db2.gz	BMFICGIEPHYYNQ-BLLLJJGKSA-N	0	1	399.241	2.369	20	5		GEBDMN
O=C(Nc1cccc(Br)c1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC000839620612	653658300	/nfs/dbraw/zinc/65/83/00/653658300.db2.gz	RFPXIRMVWFPXHJ-ZIAGYGMSSA-N	0	1	396.241	2.291	20	5		GEBDMN
Cc1cc(N2CCC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2=O)ccc1Br	ZINC000839724192	653661483	/nfs/dbraw/zinc/66/14/83/653661483.db2.gz	HNMWUTIDUJQLBW-KWCYVHTRSA-N	0	1	396.241	2.034	20	5		GEBDMN
COC(=O)CCN(Cc1cccc(Br)c1)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000839733739	653661927	/nfs/dbraw/zinc/66/19/27/653661927.db2.gz	NFUNYKKASBSPSV-CHWSQXEVSA-N	0	1	385.214	2.006	20	5		GEBDMN
C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N(C)Cc1ccc(Br)cc1	ZINC000840672429	653690765	/nfs/dbraw/zinc/69/07/65/653690765.db2.gz	JQQYMVYXCABHSO-OASPWFOLSA-N	0	1	385.214	2.004	20	5		GEBDMN
CO[C@H](CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(F)(F)F	ZINC000786874257	653729500	/nfs/dbraw/zinc/72/95/00/653729500.db2.gz	QFWNJZKHJREZOI-SNVBAGLBSA-N	0	1	376.740	2.494	20	5		GEBDMN
CNS(=O)(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1O	ZINC000788166204	653751575	/nfs/dbraw/zinc/75/15/75/653751575.db2.gz	IRCHFKVZUGERFQ-UHFFFAOYSA-N	0	1	385.785	2.114	20	5		GEBDMN
CO[C@H](CS(=O)(=O)Nc1c(C)c([N+](=O)[O-])ccc1F)C1CCOCC1	ZINC000842806058	653768705	/nfs/dbraw/zinc/76/87/05/653768705.db2.gz	JXAKDAATMNPXOV-CQSZACIVSA-N	0	1	376.406	2.226	20	5		GEBDMN
CN(CCN1CC2(C1)CCOCC2)c1ncc(Br)cc1[N+](=O)[O-]	ZINC000866258560	653789565	/nfs/dbraw/zinc/78/95/65/653789565.db2.gz	YGZGIXXCIFLSSL-UHFFFAOYSA-N	0	1	385.262	2.301	20	5		GEBDMN
CCN(C1CCN(C)CC1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000867349347	653919880	/nfs/dbraw/zinc/91/98/80/653919880.db2.gz	QUECHBKBRQFWDX-UHFFFAOYSA-N	0	1	379.841	2.492	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-][C@H]2CC[N@@H+](CC3CC3)C2)c1	ZINC000795829941	653969323	/nfs/dbraw/zinc/96/93/23/653969323.db2.gz	TZVRLCOCUSNAPY-JTQLQIEISA-N	0	1	377.825	2.150	20	5		GEBDMN
Cc1ccc([C@@H](O)CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)o1	ZINC000795857314	653971941	/nfs/dbraw/zinc/97/19/41/653971941.db2.gz	RAYHLXDYAADCCY-JTQLQIEISA-N	0	1	378.765	2.301	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@H]2CCCCC23OCCO3)c1	ZINC000795891516	653975505	/nfs/dbraw/zinc/97/55/05/653975505.db2.gz	VOBIEGJIWBSXIJ-LBPRGKRZSA-N	0	1	394.808	2.351	20	5		GEBDMN
CCOC(=O)[C@@H](C)[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000795925130	653977590	/nfs/dbraw/zinc/97/75/90/653977590.db2.gz	CLIPCGDHUPZIOY-JGVFFNPUSA-N	0	1	382.797	2.253	20	5		GEBDMN
CCc1cc(CNC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])n[nH]1	ZINC000796388109	653996865	/nfs/dbraw/zinc/99/68/65/653996865.db2.gz	NNSTXJXQLSGFOF-UHFFFAOYSA-N	0	1	396.245	2.395	20	5		GEBDMN
Cc1cc(CNCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)n1	ZINC000797598108	654037138	/nfs/dbraw/zinc/03/71/38/654037138.db2.gz	OBZDLYKQNQIWBT-UHFFFAOYSA-N	0	1	384.845	2.020	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCCCOC[C@H]2CCCO2)c1	ZINC000798224901	654054602	/nfs/dbraw/zinc/05/46/02/654054602.db2.gz	MMADLKZFGVEPGQ-LLVKDONJSA-N	0	1	396.824	2.251	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1	ZINC000798227150	654055658	/nfs/dbraw/zinc/05/56/58/654055658.db2.gz	KHEVOYHMRAFHTI-SWLSCSKDSA-N	0	1	386.788	2.324	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@H]2c3ccccc3C[C@@H]2O)c1	ZINC000798227151	654055787	/nfs/dbraw/zinc/05/57/87/654055787.db2.gz	KHEVOYHMRAFHTI-WFASDCNBSA-N	0	1	386.788	2.324	20	5		GEBDMN
COC(=O)c1nscc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000800930665	654168819	/nfs/dbraw/zinc/16/88/19/654168819.db2.gz	PMGWXDABAVKXAB-UHFFFAOYSA-N	0	1	377.787	2.292	20	5		GEBDMN
O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H]2[C@H]1CCCN2CCO	ZINC000889767607	654170475	/nfs/dbraw/zinc/17/04/75/654170475.db2.gz	IDIOFLUYUMKGOW-ZIAGYGMSSA-N	0	1	398.257	2.029	20	5		GEBDMN
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N[C@@H](CO)CC(F)F)c1Cl	ZINC000831276016	654176532	/nfs/dbraw/zinc/17/65/32/654176532.db2.gz	HQDDYELDHBULDC-RXMQYKEDSA-N	0	1	379.168	2.196	20	5		GEBDMN
CC[C@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@@H](O)C(F)F	ZINC000831904065	654217506	/nfs/dbraw/zinc/21/75/06/654217506.db2.gz	ZIKMJIXMSMATBR-OIBJUYFYSA-N	0	1	376.740	2.070	20	5		GEBDMN
Cc1ccc(C)c(S(=O)(=O)N[C@H]([C@H]2CCOC2)C(F)(F)F)c1[N+](=O)[O-]	ZINC000921856087	654332064	/nfs/dbraw/zinc/33/20/64/654332064.db2.gz	JSPKJAAFYMNXQQ-GXFFZTMASA-N	0	1	382.360	2.457	20	5		GEBDMN
Cn1cc(CNCCc2ccccc2[N+](=O)[O-])c(I)n1	ZINC000894298280	654463325	/nfs/dbraw/zinc/46/33/25/654463325.db2.gz	IVMQMWCIVNJFBZ-UHFFFAOYSA-N	0	1	386.193	2.265	20	5		GEBDMN
COC(=O)c1cnc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)c([N+](=O)[O-])c1	ZINC001164723578	720360664	/nfs/dbraw/zinc/36/06/64/720360664.db2.gz	IAACNQMAYGTLCE-HOTGVXAUSA-N	0	1	383.408	2.025	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)cnc1N1CCc2ncc(CN3CCCC3)n2CC1	ZINC001164733434	720550965	/nfs/dbraw/zinc/55/09/65/720550965.db2.gz	NDBCPQIQHDIMSV-UHFFFAOYSA-N	0	1	376.848	2.498	20	5		GEBDMN
COc1ncnc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)c1[N+](=O)[O-]	ZINC001164862980	720960332	/nfs/dbraw/zinc/96/03/32/720960332.db2.gz	XNHJTBGLQIGLDW-LBPRGKRZSA-N	0	1	375.433	2.011	20	5		GEBDMN
Cc1cc([N+](=O)[O-])cnc1N1CC[C@]2(C1)CCC[C@H](CN1CCN(C)CC1)O2	ZINC001164894116	721383228	/nfs/dbraw/zinc/38/32/28/721383228.db2.gz	XTCAJQJVQUHZDS-QUCCMNQESA-N	0	1	389.500	2.064	20	5		GEBDMN
Cc1ccnc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)c1[N+](=O)[O-]	ZINC001164892254	721393769	/nfs/dbraw/zinc/39/37/69/721393769.db2.gz	SKEVJBARBNKJDW-PXNSSMCTSA-N	0	1	389.500	2.064	20	5		GEBDMN
O=[N+]([O-])c1cnn(C[C@H](O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)c1	ZINC000174685019	532074489	/nfs/dbraw/zinc/07/44/89/532074489.db2.gz	YKHVDMKWYRAINO-LBPRGKRZSA-N	0	1	380.817	2.383	20	5		GEBDMN
Cc1ccc([C@H](C)NC[C@@H](O)CS(=O)(=O)c2cccs2)cc1[N+](=O)[O-]	ZINC000181633701	532303825	/nfs/dbraw/zinc/30/38/25/532303825.db2.gz	NJEJRPXAKOYLJQ-GXTWGEPZSA-N	0	1	384.479	2.450	20	5		GEBDMN
Cn1c(=O)[nH]nc1SCc1cc(I)cc([N+](=O)[O-])c1	ZINC000558465799	532391974	/nfs/dbraw/zinc/39/19/74/532391974.db2.gz	NMRMAKOJLGQRPB-UHFFFAOYSA-N	0	1	392.178	2.326	20	5		GEBDMN
COC(=O)[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C1CC1	ZINC000466880114	532436660	/nfs/dbraw/zinc/43/66/60/532436660.db2.gz	GWKBGPLJWROBNU-SNVBAGLBSA-N	0	1	383.209	2.132	20	5		GEBDMN
O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H](CO)CN1CCCCC1	ZINC000561687443	532446068	/nfs/dbraw/zinc/44/60/68/532446068.db2.gz	SUJXXJGCRCBFHI-CYBMUJFWSA-N	0	1	387.889	2.303	20	5		GEBDMN
C[C@H]1CN(CCCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCO1	ZINC000432337332	532535643	/nfs/dbraw/zinc/53/56/43/532535643.db2.gz	BAUSFPADUFRDOG-LBPRGKRZSA-N	0	1	391.877	2.027	20	5		GEBDMN
O=C(CN1CCN2CCCC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Br	ZINC000248371237	532552070	/nfs/dbraw/zinc/55/20/70/532552070.db2.gz	YLAPODWJUZGKAC-ZDUSSCGKSA-N	0	1	397.273	2.466	20	5		GEBDMN
CCCN1CC[C@@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1	ZINC000595353749	532560025	/nfs/dbraw/zinc/56/00/25/532560025.db2.gz	KBGHYBVMDGMYQJ-LLVKDONJSA-N	0	1	392.275	2.120	20	5		GEBDMN
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N1CCN(C)CC1	ZINC000284300663	532586427	/nfs/dbraw/zinc/58/64/27/532586427.db2.gz	JKIKRBWGMWFVJF-LLVKDONJSA-N	0	1	399.289	2.031	20	5		GEBDMN
CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc(Br)c([N+](=O)[O-])c2)N(C)C1	ZINC000284594875	532604564	/nfs/dbraw/zinc/60/45/64/532604564.db2.gz	JFSRMRDHLYYBEA-RYUDHWBXSA-N	0	1	386.246	2.148	20	5		GEBDMN
Cc1c(Br)cc(S(=O)(=O)N2C[C@@H](C)NC[C@H]2C)cc1[N+](=O)[O-]	ZINC000474175064	532609323	/nfs/dbraw/zinc/60/93/23/532609323.db2.gz	LWYUGEQPOMTYBY-RKDXNWHRSA-N	0	1	392.275	2.037	20	5		GEBDMN
O=C([O-])[C@H]1CCC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1	ZINC000263405836	532624891	/nfs/dbraw/zinc/62/48/91/532624891.db2.gz	JQKMLKXVNAKPHI-JTQLQIEISA-N	0	1	390.177	2.496	20	5		GEBDMN
O=C([O-])[C@H]1CCC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1	ZINC000263405836	532624899	/nfs/dbraw/zinc/62/48/99/532624899.db2.gz	JQKMLKXVNAKPHI-JTQLQIEISA-N	0	1	390.177	2.496	20	5		GEBDMN
CC(C)[N@@H+](CC(=O)[O-])Cc1cc(I)cc([N+](=O)[O-])c1	ZINC000263465311	532627249	/nfs/dbraw/zinc/62/72/49/532627249.db2.gz	CNXDZSVDNVQFDA-UHFFFAOYSA-N	0	1	378.166	2.494	20	5		GEBDMN
Cc1nnc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)o1	ZINC000533465503	532664207	/nfs/dbraw/zinc/66/42/07/532664207.db2.gz	LTXKVSINYOWXQE-LURJTMIESA-N	0	1	380.304	2.345	20	5		GEBDMN
O=C(CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)N1CCCCC1	ZINC000285328019	532670054	/nfs/dbraw/zinc/67/00/54/532670054.db2.gz	XFXNJXKCEVMHDA-UHFFFAOYSA-N	0	1	393.824	2.068	20	5		GEBDMN
O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[C@@H](c2n[nH]c(=O)o2)C1	ZINC000599888895	532670109	/nfs/dbraw/zinc/67/01/09/532670109.db2.gz	KIUWSSBJKCHQJK-MRVPVSSYSA-N	0	1	397.185	2.466	20	5		GEBDMN
C[C@@H]1COCCN1C1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1	ZINC000603402087	532694454	/nfs/dbraw/zinc/69/44/54/532694454.db2.gz	MFPICBZJLSMADP-LLVKDONJSA-N	0	1	385.262	2.442	20	5		GEBDMN
Cc1ccc(NS(C)(=O)=O)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000442320944	532730101	/nfs/dbraw/zinc/73/01/01/532730101.db2.gz	GHLOYWYYIUKIRS-UHFFFAOYSA-N	0	1	385.423	2.076	20	5		GEBDMN
CN(C)[C@]1(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CCSC1	ZINC000267035481	532732771	/nfs/dbraw/zinc/73/27/71/532732771.db2.gz	BQQVZICBSGBVFT-AWEZNQCLSA-N	0	1	395.453	2.440	20	5		GEBDMN
O=[N+]([O-])c1cnc(N2CCC[C@@H]2CN2CCC[C@@H]2CO)c(Br)c1	ZINC000301560296	532755288	/nfs/dbraw/zinc/75/52/88/532755288.db2.gz	KDILMMHOXQMRGD-VXGBXAGGSA-N	0	1	385.262	2.178	20	5		GEBDMN
C[C@@H]1CN(C2CCN(c3ncc(Br)cc3[N+](=O)[O-])CC2)CCO1	ZINC000301629780	532756604	/nfs/dbraw/zinc/75/66/04/532756604.db2.gz	AZXPFMUTLVSXJE-LLVKDONJSA-N	0	1	385.262	2.442	20	5		GEBDMN
O=[N+]([O-])c1cncc(Br)c1N1CCCN(C2CCOCC2)CC1	ZINC000301873202	532761196	/nfs/dbraw/zinc/76/11/96/532761196.db2.gz	HVBKQPCFPRDGKH-UHFFFAOYSA-N	0	1	385.262	2.443	20	5		GEBDMN
CCN1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)[C@H]2C1	ZINC000293930995	532933534	/nfs/dbraw/zinc/93/35/34/532933534.db2.gz	PTHQALOGTGLDOB-LSDHHAIUSA-N	0	1	398.257	2.293	20	5		GEBDMN
O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCc3c(Br)cccc3C2)c1	ZINC000368780855	532934324	/nfs/dbraw/zinc/93/43/24/532934324.db2.gz	XGUASQKMGRMHBS-AWEZNQCLSA-N	0	1	395.257	2.363	20	5		GEBDMN
C[C@@H](N[C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000820409910	599386203	/nfs/dbraw/zinc/38/62/03/599386203.db2.gz	BXRQFZNEKFVHBA-NWDGAFQWSA-N	0	1	381.396	2.453	20	5		GEBDMN
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-]	ZINC000737346842	599708464	/nfs/dbraw/zinc/70/84/64/599708464.db2.gz	DHGYJBFCRUZGNF-DYLHUKMJSA-N	0	1	390.440	2.047	20	5		GEBDMN
C[C@H](C[N@@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(=O)[O-]	ZINC000736570637	600363521	/nfs/dbraw/zinc/36/35/21/600363521.db2.gz	DNUAXKZCNRCCAC-SNVBAGLBSA-N	0	1	378.410	2.309	20	5		GEBDMN
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000736754741	600432104	/nfs/dbraw/zinc/43/21/04/600432104.db2.gz	FTYVCSFKORMQBF-MJBXVCDLSA-N	0	1	392.456	2.188	20	5		GEBDMN
O=C([O-])CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCCO1	ZINC000739719346	600511405	/nfs/dbraw/zinc/51/14/05/600511405.db2.gz	WHJLQFBLJWDGGQ-GFCCVEGCSA-N	0	1	385.804	2.142	20	5		GEBDMN
O=C([O-])CC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCCO1	ZINC000739719346	600511408	/nfs/dbraw/zinc/51/14/08/600511408.db2.gz	WHJLQFBLJWDGGQ-GFCCVEGCSA-N	0	1	385.804	2.142	20	5		GEBDMN
CC[C@@H](C)[C@H](NC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C(=O)[O-]	ZINC000828716908	600849396	/nfs/dbraw/zinc/84/93/96/600849396.db2.gz	HUMAFQOUXSVLFU-ACJLOTCBSA-N	0	1	393.440	2.054	20	5		GEBDMN
C[N@@H+](CCNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)Cc1ccc(F)cc1	ZINC000830785377	601147535	/nfs/dbraw/zinc/14/75/35/601147535.db2.gz	QJEHKFNCSDCWEC-UHFFFAOYSA-N	0	1	375.356	2.294	20	5		GEBDMN
COc1cc(C[N@@H+]2CC[C@@H](CNC(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F	ZINC000739860017	601946797	/nfs/dbraw/zinc/94/67/97/601946797.db2.gz	MFGKQPIRUOGHRO-VIFPVBQESA-N	0	1	375.328	2.294	20	5		GEBDMN
COc1cc(C[N@H+]2CC[C@@H](CNC(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F	ZINC000739860017	601946800	/nfs/dbraw/zinc/94/68/00/601946800.db2.gz	MFGKQPIRUOGHRO-VIFPVBQESA-N	0	1	375.328	2.294	20	5		GEBDMN
Cc1ccc(C)c(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)c1	ZINC000826285035	607574316	/nfs/dbraw/zinc/57/43/16/607574316.db2.gz	NZDVJIWHAUTDKC-UHFFFAOYSA-N	0	1	375.366	2.159	20	5		GEBDMN
CN(C[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1)C(=O)[O-]	ZINC000739637418	602704758	/nfs/dbraw/zinc/70/47/58/602704758.db2.gz	OXEBZCOINWTBCO-CZUORRHYSA-N	0	1	376.413	2.022	20	5		GEBDMN
CN(C[C@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1)C(=O)[O-]	ZINC000739637418	602704759	/nfs/dbraw/zinc/70/47/59/602704759.db2.gz	OXEBZCOINWTBCO-CZUORRHYSA-N	0	1	376.413	2.022	20	5		GEBDMN
CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000825194411	607586914	/nfs/dbraw/zinc/58/69/14/607586914.db2.gz	QOSQZWBTRIKMMX-MNOVXSKESA-N	0	1	380.430	2.022	20	5		GEBDMN
CC(C)[C@H]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1	ZINC000824216196	607607922	/nfs/dbraw/zinc/60/79/22/607607922.db2.gz	OVTLIQUYGUTWOH-RYUDHWBXSA-N	0	1	394.457	2.268	20	5		GEBDMN
Cc1nn(C[NH+]2CCC(OCCCNC(=O)[O-])CC2)c2ccc([N+](=O)[O-])cc12	ZINC000830870481	604748104	/nfs/dbraw/zinc/74/81/04/604748104.db2.gz	JKNHPMQMRRKHMI-UHFFFAOYSA-N	0	1	391.428	2.349	20	5		GEBDMN
C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-]	ZINC000833590084	604838936	/nfs/dbraw/zinc/83/89/36/604838936.db2.gz	ZEHUXSBLDAXRIN-NWDGAFQWSA-N	0	1	381.454	2.326	20	5		GEBDMN
C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-]	ZINC000833590084	604838938	/nfs/dbraw/zinc/83/89/38/604838938.db2.gz	ZEHUXSBLDAXRIN-NWDGAFQWSA-N	0	1	381.454	2.326	20	5		GEBDMN
O=C([O-])N[C@@H]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]21	ZINC000834189002	605438338	/nfs/dbraw/zinc/43/83/38/605438338.db2.gz	RKVMFGCVQUDNNI-UHOFOFEASA-N	0	1	376.413	2.292	20	5		GEBDMN
C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@H]2C1	ZINC000833790549	605445918	/nfs/dbraw/zinc/44/59/18/605445918.db2.gz	PHYZAFWQCFLVEK-ZOBORPQBSA-N	0	1	376.413	2.290	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@H]2C1	ZINC000833908005	605450201	/nfs/dbraw/zinc/45/02/01/605450201.db2.gz	YXRNKUDMRREIGL-AEGPPILISA-N	0	1	376.413	2.210	20	5		GEBDMN
O=C([O-])N1CCc2cccc(C[NH+]3CCN(c4ccc([N+](=O)[O-])nc4)CC3)c21	ZINC000834122950	605481810	/nfs/dbraw/zinc/48/18/10/605481810.db2.gz	MMMQVNLUSHCMFW-UHFFFAOYSA-N	0	1	383.408	2.353	20	5		GEBDMN
O=C([O-])N1CCC2(CC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)CC1	ZINC000833992985	605893533	/nfs/dbraw/zinc/89/35/33/605893533.db2.gz	PBLNQLUIETXUSS-UHFFFAOYSA-N	0	1	376.413	2.389	20	5		GEBDMN
C[C@@H](NC(=O)[O-])[C@H]1CCC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1	ZINC000833813414	605954686	/nfs/dbraw/zinc/95/46/86/605954686.db2.gz	OTGKXAOCLNYLBI-KGLIPLIRSA-N	0	1	391.428	2.162	20	5		GEBDMN
C[C@@H](NC(=O)[O-])[C@H]1CCC[N@@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1	ZINC000833813414	605954688	/nfs/dbraw/zinc/95/46/88/605954688.db2.gz	OTGKXAOCLNYLBI-KGLIPLIRSA-N	0	1	391.428	2.162	20	5		GEBDMN
C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1	ZINC000820571104	606700535	/nfs/dbraw/zinc/70/05/35/606700535.db2.gz	VWPYRKLWPUEQCG-TZMCWYRMSA-N	0	1	380.412	2.417	20	5		GEBDMN
C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1	ZINC000820571104	606700536	/nfs/dbraw/zinc/70/05/36/606700536.db2.gz	VWPYRKLWPUEQCG-TZMCWYRMSA-N	0	1	380.412	2.417	20	5		GEBDMN
C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1	ZINC000820571104	606700537	/nfs/dbraw/zinc/70/05/37/606700537.db2.gz	VWPYRKLWPUEQCG-TZMCWYRMSA-N	0	1	380.412	2.417	20	5		GEBDMN
C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1	ZINC000820571104	606700538	/nfs/dbraw/zinc/70/05/38/606700538.db2.gz	VWPYRKLWPUEQCG-TZMCWYRMSA-N	0	1	380.412	2.417	20	5		GEBDMN
CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-]	ZINC000821597862	606713348	/nfs/dbraw/zinc/71/33/48/606713348.db2.gz	JXJBHCAMKNKMLQ-HNNXBMFYSA-N	0	1	394.439	2.128	20	5		GEBDMN
CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-]	ZINC000821597862	606713349	/nfs/dbraw/zinc/71/33/49/606713349.db2.gz	JXJBHCAMKNKMLQ-HNNXBMFYSA-N	0	1	394.439	2.128	20	5		GEBDMN
CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-]	ZINC000821597862	606713350	/nfs/dbraw/zinc/71/33/50/606713350.db2.gz	JXJBHCAMKNKMLQ-HNNXBMFYSA-N	0	1	394.439	2.128	20	5		GEBDMN
CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-]	ZINC000821597862	606713351	/nfs/dbraw/zinc/71/33/51/606713351.db2.gz	JXJBHCAMKNKMLQ-HNNXBMFYSA-N	0	1	394.439	2.128	20	5		GEBDMN
C[C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000824897891	608565067	/nfs/dbraw/zinc/56/50/67/608565067.db2.gz	CKFOBEZTCKDMAC-UTUOFQBUSA-N	0	1	392.441	2.117	20	5		GEBDMN
Cc1noc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)n1	ZINC000447024858	649994761	/nfs/dbraw/zinc/99/47/61/649994761.db2.gz	AOUKBUFYZLNLJW-LURJTMIESA-N	0	1	391.203	2.088	20	5		GEBDMN
NC(=O)C1(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCCC1	ZINC000462148455	650471088	/nfs/dbraw/zinc/47/10/88/650471088.db2.gz	MBCSFHJZJPESJM-UHFFFAOYSA-N	0	1	396.252	2.226	20	5		GEBDMN
CCO[C@@H]1C[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@@H]1OC	ZINC000476215753	650546708	/nfs/dbraw/zinc/54/67/08/650546708.db2.gz	IJLHVYQKNAFJTM-WCQGTBRESA-N	0	1	399.252	2.372	20	5		GEBDMN
Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NCc1cnc[nH]1	ZINC000513488192	650563797	/nfs/dbraw/zinc/56/37/97/650563797.db2.gz	QSJGMUYYYXGMAS-UHFFFAOYSA-N	0	1	386.149	2.161	20	5		GEBDMN
Cc1cc(S(=O)(=O)Nc2ccccc2CS(C)(=O)=O)ccc1[N+](=O)[O-]	ZINC000523726888	650637763	/nfs/dbraw/zinc/63/77/63/650637763.db2.gz	URMWYBQBZDLWNJ-UHFFFAOYSA-N	0	1	384.435	2.249	20	5		GEBDMN
Cc1cc(S(=O)(=O)Nc2ccc(CS(C)(=O)=O)cc2)ccc1[N+](=O)[O-]	ZINC000524549488	650642963	/nfs/dbraw/zinc/64/29/63/650642963.db2.gz	CNPMLYULZAMGRX-UHFFFAOYSA-N	0	1	384.435	2.249	20	5		GEBDMN
CNS(=O)(=O)c1ccc(NC[C@@H](c2ccsc2)N(C)C)c([N+](=O)[O-])c1	ZINC000045733255	642594608	/nfs/dbraw/zinc/59/46/08/642594608.db2.gz	ZMUMBWVMLMVJSV-HNNXBMFYSA-N	0	1	384.483	2.279	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnn(C[C@@H]3CCCO3)c2)c(Cl)c1	ZINC000055630659	642775540	/nfs/dbraw/zinc/77/55/40/642775540.db2.gz	XAFIRTROKJIEAL-LBPRGKRZSA-N	0	1	386.817	2.425	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)NCCCN2CCc3ccccc3C2)s1	ZINC000064245430	642871926	/nfs/dbraw/zinc/87/19/26/642871926.db2.gz	SXKHGBHTWHRIFK-UHFFFAOYSA-N	0	1	381.479	2.383	20	5		GEBDMN
C[C@H]1[C@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCN1C	ZINC000536694412	650805260	/nfs/dbraw/zinc/80/52/60/650805260.db2.gz	QDEVOGSYRHVFHB-QWRGUYRKSA-N	0	1	385.262	2.320	20	5		GEBDMN
Nc1ccc(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)cc1[N+](=O)[O-]	ZINC000110822072	643320438	/nfs/dbraw/zinc/32/04/38/643320438.db2.gz	KIUZXDHBNTZLTR-UHFFFAOYSA-N	0	1	382.785	2.126	20	5		GEBDMN
O=C1NCCc2ccc(S(=O)(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)cc21	ZINC000120167817	643594672	/nfs/dbraw/zinc/59/46/72/643594672.db2.gz	VTZDQTOWDATKLL-UHFFFAOYSA-N	0	1	381.797	2.335	20	5		GEBDMN
C[C@@H](CNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])N(C)C1CC1	ZINC000170787980	644287209	/nfs/dbraw/zinc/28/72/09/644287209.db2.gz	BLPKXXZJIBOTAJ-VIFPVBQESA-N	0	1	392.275	2.118	20	5		GEBDMN
CCN1CCN([C@@H]2CCN(c3ncc([N+](=O)[O-])c(C)c3Br)C2)CC1	ZINC000544395483	650941063	/nfs/dbraw/zinc/94/10/63/650941063.db2.gz	XPSNXHPFVBNVFS-CYBMUJFWSA-N	0	1	398.305	2.277	20	5		GEBDMN
C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCC1	ZINC000546057645	650989636	/nfs/dbraw/zinc/98/96/36/650989636.db2.gz	BCAAYLVKTHBQSH-QMMMGPOBSA-N	0	1	396.252	2.191	20	5		GEBDMN
CCN1CCC[C@@H]1CNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000194189718	645315278	/nfs/dbraw/zinc/31/52/78/645315278.db2.gz	WWIJCQQXZJVDOE-LLVKDONJSA-N	0	1	392.275	2.120	20	5		GEBDMN
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCC[NH2+]Cc1cccnc1	ZINC000237851728	645445453	/nfs/dbraw/zinc/44/54/53/645445453.db2.gz	ANQQVPMXITUYFL-UHFFFAOYSA-N	0	1	384.845	2.101	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC[C@H]1NCCc2ccccc21	ZINC000262241967	645622023	/nfs/dbraw/zinc/62/20/23/645622023.db2.gz	PEARJFIKXCOBIB-CQSZACIVSA-N	0	1	381.841	2.414	20	5		GEBDMN
CCN(Cc1ccccc1Br)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000266536745	645848165	/nfs/dbraw/zinc/84/81/65/645848165.db2.gz	OQMFZFGWFVFTOV-CQSZACIVSA-N	0	1	383.246	2.437	20	5		GEBDMN
CC[S@](=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1	ZINC000267452364	645903277	/nfs/dbraw/zinc/90/32/77/645903277.db2.gz	FQLPDBCBVAVOGB-JQLIAFOBSA-N	0	1	378.447	2.092	20	5		GEBDMN
CN(C)C[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000268781372	645998646	/nfs/dbraw/zinc/99/86/46/645998646.db2.gz	KLQVZEDJBVBIHL-NSHDSACASA-N	0	1	392.275	2.072	20	5		GEBDMN
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F	ZINC000278560014	646525642	/nfs/dbraw/zinc/52/56/42/646525642.db2.gz	BDQCPYLDFZVTBH-LBPRGKRZSA-N	0	1	378.332	2.219	20	5		GEBDMN
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NC[C@H](O)C(F)(F)F)c1Cl	ZINC000295737531	647237781	/nfs/dbraw/zinc/23/77/81/647237781.db2.gz	WKGIFYJELITFGO-LURJTMIESA-N	0	1	383.131	2.103	20	5		GEBDMN
CCN1CC[C@H]2OCCN(C(=O)c3ccc(Br)c([N+](=O)[O-])c3)[C@H]2C1	ZINC000297973354	647268937	/nfs/dbraw/zinc/26/89/37/647268937.db2.gz	WOEJUAGKXQSDKU-LSDHHAIUSA-N	0	1	398.257	2.293	20	5		GEBDMN
CS[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C[C@@H]1N1CCCC1	ZINC000332071652	647409938	/nfs/dbraw/zinc/40/99/38/647409938.db2.gz	CNDXOWBQAVHIQZ-GJZGRUSLSA-N	0	1	385.511	2.104	20	5		GEBDMN
O=C(Nc1ccccc1Br)C1CCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1	ZINC000362987087	647578143	/nfs/dbraw/zinc/57/81/43/647578143.db2.gz	UTBCKFGTKFSCJG-FZMZJTMJSA-N	0	1	396.241	2.291	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCC(c3nc[nH]n3)CC2)c1	ZINC000367540284	647736896	/nfs/dbraw/zinc/73/68/96/647736896.db2.gz	KFYJLIOQFJMHFE-UHFFFAOYSA-N	0	1	389.796	2.074	20	5		GEBDMN
COC(=O)[C@H](NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C)c1ccsc1	ZINC000416464204	648133587	/nfs/dbraw/zinc/13/35/87/648133587.db2.gz	GSHHQYXMLPWGCS-CQSZACIVSA-N	0	1	384.435	2.466	20	5		GEBDMN
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2nc[nH]n2)C1	ZINC000425060473	648662848	/nfs/dbraw/zinc/66/28/48/648662848.db2.gz	PGBYCBGTRUVXID-VIFPVBQESA-N	0	1	380.202	2.414	20	5		GEBDMN
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2nc[nH]n2)C1	ZINC000425060471	648663055	/nfs/dbraw/zinc/66/30/55/648663055.db2.gz	PGBYCBGTRUVXID-SECBINFHSA-N	0	1	380.202	2.414	20	5		GEBDMN
COC[C@@](C)(CC(=O)OC)NCc1ccc(Br)cc1[N+](=O)[O-]	ZINC000425420389	648675776	/nfs/dbraw/zinc/67/57/76/648675776.db2.gz	SBQSIIWKFXJAOU-CQSZACIVSA-N	0	1	375.219	2.415	20	5		GEBDMN
O=[N+]([O-])c1cccc(CNCCNS(=O)(=O)c2ccc(Cl)cc2F)c1	ZINC000441357624	648825873	/nfs/dbraw/zinc/82/58/73/648825873.db2.gz	MURBEHRCZQFNSC-UHFFFAOYSA-N	0	1	387.820	2.455	20	5		GEBDMN
CC(C)(NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1cc(C(F)(F)F)on1	ZINC000567541359	651625042	/nfs/dbraw/zinc/62/50/42/651625042.db2.gz	CDOCSVRFSSXPRP-UHFFFAOYSA-N	0	1	380.304	2.210	20	5		GEBDMN
O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NC[C@@H]1CCN(C2CC2)C1	ZINC000731967729	651641323	/nfs/dbraw/zinc/64/13/23/651641323.db2.gz	PIOVKSQJBFESFD-JTQLQIEISA-N	0	1	375.397	2.487	20	5		GEBDMN
CCOC(=O)c1sc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])nc1C	ZINC000610549790	651669718	/nfs/dbraw/zinc/66/97/18/651669718.db2.gz	NGFYCATZDFDDKJ-UHFFFAOYSA-N	0	1	385.423	2.015	20	5		GEBDMN
COC1CCN(CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1	ZINC000610573073	651671581	/nfs/dbraw/zinc/67/15/81/651671581.db2.gz	UEHDAZVSQVTIPJ-UHFFFAOYSA-N	0	1	386.246	2.198	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCN(C2CC2)C1	ZINC000611106965	651707451	/nfs/dbraw/zinc/70/74/51/651707451.db2.gz	IEVTYKJQQJAWAJ-VIFPVBQESA-N	0	1	380.253	2.417	20	5		GEBDMN
CNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000611118481	651708719	/nfs/dbraw/zinc/70/87/19/651708719.db2.gz	TUEJBIVMXROOON-JTQLQIEISA-N	0	1	398.268	2.341	20	5		GEBDMN
O=[N+]([O-])c1cncc(Br)c1N1CCC[C@H](N2CCOCC2)CC1	ZINC000572015078	651867835	/nfs/dbraw/zinc/86/78/35/651867835.db2.gz	JWGRWXZZTMXIJS-LBPRGKRZSA-N	0	1	385.262	2.443	20	5		GEBDMN
O=[N+]([O-])c1cc(Br)cnc1N1CCC[C@H](N2CCOCC2)CC1	ZINC000572134601	651875244	/nfs/dbraw/zinc/87/52/44/651875244.db2.gz	CRORLZSUQYSIAX-ZDUSSCGKSA-N	0	1	385.262	2.443	20	5		GEBDMN
CCc1cc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)n[nH]1	ZINC000742298031	651976211	/nfs/dbraw/zinc/97/62/11/651976211.db2.gz	AOQMGTNWNKLJST-UHFFFAOYSA-N	0	1	389.231	2.121	20	5		GEBDMN
C[C@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCN1C	ZINC000742308939	651978138	/nfs/dbraw/zinc/97/81/38/651978138.db2.gz	MNUBXNDIPXVMAX-UWVGGRQHSA-N	0	1	392.275	2.118	20	5		GEBDMN
CSC1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[NH+](C)CC1	ZINC000589296208	652565024	/nfs/dbraw/zinc/56/50/24/652565024.db2.gz	PQWSJIASYJQJJG-UHFFFAOYSA-N	0	1	393.918	2.354	20	5		GEBDMN
Cc1[nH]nc(C(=O)N2CCOc3cccc(Br)c3C2)c1[N+](=O)[O-]	ZINC000594408116	652647494	/nfs/dbraw/zinc/64/74/94/652647494.db2.gz	SKWNXGMGAGRGHV-UHFFFAOYSA-N	0	1	381.186	2.424	20	5		GEBDMN
CC(C)OC(=O)C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(C)C	ZINC000594487426	652663318	/nfs/dbraw/zinc/66/33/18/652663318.db2.gz	HVGKIGPZFRQPTI-LBPRGKRZSA-N	0	1	376.406	2.379	20	5		GEBDMN
CCn1cc(S(=O)(=O)NCC(F)(F)c2ccc(F)cc2)c([N+](=O)[O-])n1	ZINC000595366430	652716275	/nfs/dbraw/zinc/71/62/75/652716275.db2.gz	UPMMUIRREZPTEG-UHFFFAOYSA-N	0	1	378.332	2.021	20	5		GEBDMN
Cc1[nH]nc(C(=O)N2CCOc3cc(Br)ccc3C2)c1[N+](=O)[O-]	ZINC000598476892	652817115	/nfs/dbraw/zinc/81/71/15/652817115.db2.gz	HTOVUBWUWYCDRL-UHFFFAOYSA-N	0	1	381.186	2.424	20	5		GEBDMN
COC(=O)[C@@H](NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C)c1cccs1	ZINC000598602276	652823586	/nfs/dbraw/zinc/82/35/86/652823586.db2.gz	RUNXRJOBHMQWAV-ZDUSSCGKSA-N	0	1	384.435	2.466	20	5		GEBDMN
CS[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C[C@H]1N(C)C	ZINC000767315373	652919815	/nfs/dbraw/zinc/91/98/15/652919815.db2.gz	NSPHJUSIXNVJER-OLZOCXBDSA-N	0	1	393.918	2.223	20	5		GEBDMN
CS[C@H]1CN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C[C@H]1N1CCCC1	ZINC000601396531	653090991	/nfs/dbraw/zinc/09/09/91/653090991.db2.gz	FPPWTVNQZJWZQE-NEPJUHHUSA-N	0	1	391.540	2.165	20	5		GEBDMN
CO[C@@H](C)C(=O)Nc1cccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1	ZINC000768884863	653135861	/nfs/dbraw/zinc/13/58/61/653135861.db2.gz	ZAFRJHVPRVFBRH-VIFPVBQESA-N	0	1	385.423	2.431	20	5		GEBDMN
Cc1nc(Cl)ccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1NCCO	ZINC000808071599	653216718	/nfs/dbraw/zinc/21/67/18/653216718.db2.gz	FUFDMQOZMUJPSM-UHFFFAOYSA-N	0	1	386.817	2.157	20	5		GEBDMN
C[C@@H](NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(=O)OC(C)(C)C	ZINC000809815555	653298485	/nfs/dbraw/zinc/29/84/85/653298485.db2.gz	IZSIMYJZGUZGDK-SSDOTTSWSA-N	0	1	382.797	2.396	20	5		GEBDMN
CN(C)CC(=O)N1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1	ZINC000809935156	653314214	/nfs/dbraw/zinc/31/42/14/653314214.db2.gz	IWBXAWMHUBAWKE-UHFFFAOYSA-N	0	1	375.256	2.107	20	5		GEBDMN
CCc1nnc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)s1	ZINC000810110673	653325851	/nfs/dbraw/zinc/32/58/51/653325851.db2.gz	PHJRWMBQTXKZSI-UHFFFAOYSA-N	0	1	376.847	2.449	20	5		GEBDMN
C[C@@H]1CCCN1CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000780867994	653634199	/nfs/dbraw/zinc/63/41/99/653634199.db2.gz	UGXVBIZHCXTIKB-SNVBAGLBSA-N	0	1	392.275	2.120	20	5		GEBDMN
C[C@@H]1CCCN1CCNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000780868340	653634394	/nfs/dbraw/zinc/63/43/94/653634394.db2.gz	SUBYISXQLQJENP-SNVBAGLBSA-N	0	1	392.275	2.120	20	5		GEBDMN
CC[C@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@@H](O)C(F)(F)F	ZINC000815029960	653646115	/nfs/dbraw/zinc/64/61/15/653646115.db2.gz	UKWRDKRRGRKTKA-OIBJUYFYSA-N	0	1	394.730	2.367	20	5		GEBDMN
CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000840392434	653684611	/nfs/dbraw/zinc/68/46/11/653684611.db2.gz	JBBMBVCASKXBLK-LDYMZIIASA-N	0	1	381.332	2.016	20	5		GEBDMN
CN(C[C@H]1CCCN1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000817149851	653704304	/nfs/dbraw/zinc/70/43/04/653704304.db2.gz	INWMMTLPXXZSLT-LLVKDONJSA-N	0	1	392.275	2.072	20	5		GEBDMN
C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)CCN1	ZINC000841233625	653711456	/nfs/dbraw/zinc/71/14/56/653711456.db2.gz	AKVNNRTUECSQPE-MRVPVSSYSA-N	0	1	390.181	2.025	20	5		GEBDMN
O=C(c1cc(Br)[nH]n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000788261304	653753407	/nfs/dbraw/zinc/75/34/07/653753407.db2.gz	MIPTXGWACPEYDZ-UHFFFAOYSA-N	0	1	380.202	2.043	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CC[N@@H+]2CCC[C@H]2C1	ZINC000884957333	653898313	/nfs/dbraw/zinc/89/83/13/653898313.db2.gz	OHDPLSHSTPVLEP-ZJUUUORDSA-N	0	1	377.825	2.292	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CC[N@H+]2CCC[C@H]2C1	ZINC000884957333	653898315	/nfs/dbraw/zinc/89/83/15/653898315.db2.gz	OHDPLSHSTPVLEP-ZJUUUORDSA-N	0	1	377.825	2.292	20	5		GEBDMN
Cc1[nH]ncc1CNC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000795040471	653927165	/nfs/dbraw/zinc/92/71/65/653927165.db2.gz	WMYPDMPSRLOFNI-UHFFFAOYSA-N	0	1	382.218	2.141	20	5		GEBDMN
O=C(NC[C@@H]1CCN1C1CCOCC1)c1c(Br)cccc1[N+](=O)[O-]	ZINC000885893460	653962750	/nfs/dbraw/zinc/96/27/50/653962750.db2.gz	RHFZRTUJROXZTL-LBPRGKRZSA-N	0	1	398.257	2.340	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC[C@H](CO)Cc2ccco2)c1	ZINC000795850039	653970315	/nfs/dbraw/zinc/97/03/15/653970315.db2.gz	FDTMRRWZIMRPNK-SECBINFHSA-N	0	1	392.792	2.110	20	5		GEBDMN
CN(C)Cc1ccnc(NC(=O)c2cc([N+](=O)[O-])ncc2Br)c1	ZINC000798174139	654052826	/nfs/dbraw/zinc/05/28/26/654052826.db2.gz	RGXZBYVJZMFMPA-UHFFFAOYSA-N	0	1	380.202	2.461	20	5		GEBDMN
O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[C@@H]2[C@H]1CCCN2CCO	ZINC000900790873	654080492	/nfs/dbraw/zinc/08/04/92/654080492.db2.gz	AIOHXNUIGMDNAU-CHWSQXEVSA-N	0	1	398.257	2.029	20	5		GEBDMN
CN(C)C[C@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000851812977	654180593	/nfs/dbraw/zinc/18/05/93/654180593.db2.gz	QAQVZWKHQGBKQT-SNVBAGLBSA-N	0	1	379.841	2.492	20	5		GEBDMN
Cc1nc(CN2CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)CC2)n[nH]1	ZINC000801523767	654199994	/nfs/dbraw/zinc/19/99/94/654199994.db2.gz	GKNKPEBNJLHPDB-UHFFFAOYSA-N	0	1	395.261	2.102	20	5		GEBDMN
O=[N+]([O-])c1ccc([C@@H](O)CNCCS(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000921206851	654239898	/nfs/dbraw/zinc/23/98/98/654239898.db2.gz	OIRDUFFQPYIFNU-INIZCTEOSA-N	0	1	384.841	2.345	20	5		GEBDMN
Cc1ccc(C)c(S(=O)(=O)N[C@@H]([C@@H]2CCOC2)C(F)(F)F)c1[N+](=O)[O-]	ZINC000921856088	654332255	/nfs/dbraw/zinc/33/22/55/654332255.db2.gz	JSPKJAAFYMNXQQ-MFKMUULPSA-N	0	1	382.360	2.457	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]([C@@H]2CCOC2)C(F)(F)F)c1C	ZINC000921860980	654334013	/nfs/dbraw/zinc/33/40/13/654334013.db2.gz	HOZRCGGDVSWHGM-MFKMUULPSA-N	0	1	382.360	2.457	20	5		GEBDMN
O=[N+]([O-])c1cc(Br)ccc1CNC[C@H](O)COC1CCOCC1	ZINC000905429350	654356731	/nfs/dbraw/zinc/35/67/31/654356731.db2.gz	ZRXLQOLIKSRGIF-ZDUSSCGKSA-N	0	1	389.246	2.003	20	5		GEBDMN
CN1CCO[C@H]2CN(c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn3)C[C@H]21	ZINC001164669911	719469787	/nfs/dbraw/zinc/46/97/87/719469787.db2.gz	VXZSLQPCXNKCCF-CVEARBPZSA-N	0	1	375.816	2.224	20	5		GEBDMN
Cc1nc(Cl)c([N+](=O)[O-])c(N2CCc3ncc(CN4CCCC4)n3CC2)n1	ZINC001164734272	720553628	/nfs/dbraw/zinc/55/36/28/720553628.db2.gz	YEQPEJPABKDLKQ-UHFFFAOYSA-N	0	1	391.863	2.202	20	5		GEBDMN
Cn1cc(CN2CC[C@H]3CN(c4ncc(Cl)cc4[N+](=O)[O-])C[C@H]3C2)cn1	ZINC001164771586	721077068	/nfs/dbraw/zinc/07/70/68/721077068.db2.gz	SCESOHNZPJJYLU-UONOGXRCSA-N	0	1	376.848	2.335	20	5		GEBDMN
Cn1cc(CN2CC[C@H]3CN(c4nccc(Cl)c4[N+](=O)[O-])C[C@H]3C2)cn1	ZINC001164765848	721077178	/nfs/dbraw/zinc/07/71/78/721077178.db2.gz	JXVNMJLKURPJJB-UONOGXRCSA-N	0	1	376.848	2.335	20	5		GEBDMN
Cn1cc(CN2CC[C@H]3CN(c4cnc5ccc([N+](=O)[O-])cc5n4)C[C@H]3C2)cn1	ZINC001164772681	721086028	/nfs/dbraw/zinc/08/60/28/721086028.db2.gz	VRNKKQMWEUFWHY-JKSUJKDBSA-N	0	1	393.451	2.230	20	5		GEBDMN
Cc1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c([N+](=O)[O-])c1	ZINC001164984101	722101744	/nfs/dbraw/zinc/10/17/44/722101744.db2.gz	RRQYNQMAVRZHJQ-MJGOQNOKSA-N	0	1	383.452	2.421	20	5		GEBDMN
C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)N(C)C1CC1	ZINC000163275699	531854677	/nfs/dbraw/zinc/85/46/77/531854677.db2.gz	OUEZKFWSZIFKDT-VIFPVBQESA-N	0	1	381.376	2.375	20	5		GEBDMN
CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2I)CCN1	ZINC000175412920	532102689	/nfs/dbraw/zinc/10/26/89/532102689.db2.gz	ZCNNLOYFNPZMTN-UHFFFAOYSA-N	0	1	389.193	2.023	20	5		GEBDMN
C[S@@](=O)c1ccc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1	ZINC000175876977	532118075	/nfs/dbraw/zinc/11/80/75/532118075.db2.gz	CZHKIOBBECVXDZ-HSZRJFAPSA-N	0	1	388.854	2.464	20	5		GEBDMN
C[C@@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)nc1	ZINC000181400280	532298042	/nfs/dbraw/zinc/29/80/42/532298042.db2.gz	NTZBXBXFXHFFAB-LLVKDONJSA-N	0	1	384.845	2.272	20	5		GEBDMN
CN(CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1	ZINC000185225777	532337154	/nfs/dbraw/zinc/33/71/54/532337154.db2.gz	DBUREBOPAJBSJQ-UHFFFAOYSA-N	0	1	381.376	2.328	20	5		GEBDMN
COc1ccsc1[C@H](C)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000186213830	532340149	/nfs/dbraw/zinc/34/01/49/532340149.db2.gz	NSRHRUSAFWTVCK-NSHDSACASA-N	0	1	385.467	2.294	20	5		GEBDMN
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@@H](CO)c1ccccc1Cl	ZINC000557863211	532377757	/nfs/dbraw/zinc/37/77/57/532377757.db2.gz	IJSYZXNTGUXPBQ-JTQLQIEISA-N	0	1	388.804	2.442	20	5		GEBDMN
O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@H](c2nc[nH]n2)C1	ZINC000425068295	532363720	/nfs/dbraw/zinc/36/37/20/532363720.db2.gz	SWNYPNLDHIVFNT-JTQLQIEISA-N	0	1	380.202	2.034	20	5		GEBDMN
CN1CC[C@@H](CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1=O	ZINC000425179852	532369517	/nfs/dbraw/zinc/36/95/17/532369517.db2.gz	COFALMFGXQXLNP-MRVPVSSYSA-N	0	1	396.252	2.048	20	5		GEBDMN
O=C(CCn1cc([N+](=O)[O-])cn1)Nc1nc2ccc(Br)cc2[nH]1	ZINC000464578540	532398997	/nfs/dbraw/zinc/39/89/97/532398997.db2.gz	NKNCAPSMZSDTKO-UHFFFAOYSA-N	0	1	379.174	2.459	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1	ZINC000192984931	532415541	/nfs/dbraw/zinc/41/55/41/532415541.db2.gz	BIQDTJMKSYYPIC-AWEZNQCLSA-N	0	1	381.479	2.457	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1	ZINC000192984931	532415547	/nfs/dbraw/zinc/41/55/47/532415547.db2.gz	BIQDTJMKSYYPIC-AWEZNQCLSA-N	0	1	381.479	2.457	20	5		GEBDMN
Cc1c(Br)cc(S(=O)(=O)N2CCNCC2(C)C)cc1[N+](=O)[O-]	ZINC000592372689	532452521	/nfs/dbraw/zinc/45/25/21/532452521.db2.gz	JULAGPMKYPROQR-UHFFFAOYSA-N	0	1	392.275	2.038	20	5		GEBDMN
CCn1cc(S(=O)(=O)Nc2cccc(C(=O)OC)c2Cl)c([N+](=O)[O-])n1	ZINC000431183415	532507277	/nfs/dbraw/zinc/50/72/77/532507277.db2.gz	XPJUIABHROXLON-UHFFFAOYSA-N	0	1	388.789	2.052	20	5		GEBDMN
Cc1cc(S(=O)(=O)Nc2cccc(CS(C)(=O)=O)c2)ccc1[N+](=O)[O-]	ZINC000522358793	532523960	/nfs/dbraw/zinc/52/39/60/532523960.db2.gz	JPUZRXQGOCXQCH-UHFFFAOYSA-N	0	1	384.435	2.249	20	5		GEBDMN
O=C(N[C@H]1CCCN(CCCO)C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-]	ZINC000296497089	532524033	/nfs/dbraw/zinc/52/40/33/532524033.db2.gz	SUDXDPBMLJFXTF-NSHDSACASA-N	0	1	376.240	2.478	20	5		GEBDMN
O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H](c1cccs1)C1(CO)CCC1	ZINC000594782987	532527845	/nfs/dbraw/zinc/52/78/45/532527845.db2.gz	XJPZQGZWQVAAQF-CYBMUJFWSA-N	0	1	383.451	2.234	20	5		GEBDMN
CS(=O)(=O)Cc1cc(F)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000470458611	532529772	/nfs/dbraw/zinc/52/97/72/532529772.db2.gz	MRWPRDJTDSSPIK-UHFFFAOYSA-N	0	1	388.398	2.079	20	5		GEBDMN
CCCN1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1	ZINC000595355828	532560307	/nfs/dbraw/zinc/56/03/07/532560307.db2.gz	RQRFOZFSAZZTQB-JTQLQIEISA-N	0	1	381.376	2.376	20	5		GEBDMN
O=C([C@H]1C[C@H]1c1nc[nH]n1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1	ZINC000375867822	532583650	/nfs/dbraw/zinc/58/36/50/532583650.db2.gz	RCNNFQILGAWVMP-ZJUUUORDSA-N	0	1	392.213	2.164	20	5		GEBDMN
COC[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCO1	ZINC000433477823	532570911	/nfs/dbraw/zinc/57/09/11/532570911.db2.gz	OHFHUCKXEGTQRI-JQWIXIFHSA-N	0	1	399.252	2.374	20	5		GEBDMN
CO[C@H]1C[C@@H](CN(C)C(=O)c2cc([N+](=O)[O-])ccc2Br)N(C)C1	ZINC000284563169	532600713	/nfs/dbraw/zinc/60/07/13/532600713.db2.gz	HIQAIPFOUYKCEH-RYUDHWBXSA-N	0	1	386.246	2.148	20	5		GEBDMN
Cc1c(Br)cc(S(=O)(=O)N2C[C@H](C)NC[C@H]2C)cc1[N+](=O)[O-]	ZINC000474175062	532608896	/nfs/dbraw/zinc/60/88/96/532608896.db2.gz	LWYUGEQPOMTYBY-DTWKUNHWSA-N	0	1	392.275	2.037	20	5		GEBDMN
Cc1ccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)cc1[N+](=O)[O-]	ZINC000535655592	532684669	/nfs/dbraw/zinc/68/46/69/532684669.db2.gz	NZSLCNCXFRLJJI-UHFFFAOYSA-N	0	1	388.398	2.247	20	5		GEBDMN
C[C@H](NCCN(C)S(=O)(=O)c1cccs1)c1ccc(N)c([N+](=O)[O-])c1	ZINC000285454056	532681140	/nfs/dbraw/zinc/68/11/40/532681140.db2.gz	ZPWRKYSTOMFFMQ-NSHDSACASA-N	0	1	384.483	2.210	20	5		GEBDMN
CN(C[C@H]1CCCN(C)C1)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-]	ZINC000301254002	532746170	/nfs/dbraw/zinc/74/61/70/532746170.db2.gz	CZMTUVWCUAHRCU-NSHDSACASA-N	0	1	377.413	2.369	20	5		GEBDMN
C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CCN1C	ZINC000286191006	532732912	/nfs/dbraw/zinc/73/29/12/532732912.db2.gz	ZVJUDKTZEZJPBJ-ZJUUUORDSA-N	0	1	379.841	2.491	20	5		GEBDMN
CCn1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C[NH+](C)C)c2)c([N+](=O)[O-])n1	ZINC000500787280	532735188	/nfs/dbraw/zinc/73/51/88/532735188.db2.gz	NGBTYFZZJMTOBH-UHFFFAOYSA-N	0	1	387.849	2.327	20	5		GEBDMN
COc1ccnc(N2CCN(c3ncc(Br)cc3[N+](=O)[O-])CC2)c1	ZINC000268474602	532765280	/nfs/dbraw/zinc/76/52/80/532765280.db2.gz	JEGHVLXUORTBIX-UHFFFAOYSA-N	0	1	394.229	2.483	20	5		GEBDMN
CC(C)[C@H](CNc1ncc(Br)cc1[N+](=O)[O-])N1CCN(C)CC1	ZINC000268496372	532767103	/nfs/dbraw/zinc/76/71/03/532767103.db2.gz	QMMOGUXMLFRVLA-AWEZNQCLSA-N	0	1	386.294	2.436	20	5		GEBDMN
CN(C)CCN(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000414457796	532828049	/nfs/dbraw/zinc/82/80/49/532828049.db2.gz	GMWAFGYRXHUWQK-UHFFFAOYSA-N	0	1	392.275	2.072	20	5		GEBDMN
CS[C@H]1CN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C[C@H]1N1CCCC1	ZINC000274728626	532855294	/nfs/dbraw/zinc/85/52/94/532855294.db2.gz	DINHYERMSGPCKB-CABCVRRESA-N	0	1	385.511	2.104	20	5		GEBDMN
CS[C@@H]1CN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C[C@@H]1N1CCCC1	ZINC000274728636	532855169	/nfs/dbraw/zinc/85/51/69/532855169.db2.gz	DINHYERMSGPCKB-LSDHHAIUSA-N	0	1	385.511	2.104	20	5		GEBDMN
C[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(C)C1CC1	ZINC000416387249	532874419	/nfs/dbraw/zinc/87/44/19/532874419.db2.gz	MENINDCGPNCENN-VIFPVBQESA-N	0	1	381.376	2.375	20	5		GEBDMN
C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1C	ZINC000416408195	532876419	/nfs/dbraw/zinc/87/64/19/532876419.db2.gz	OOSBHBWKQZCIAH-GXSJLCMTSA-N	0	1	381.376	2.375	20	5		GEBDMN
CCN1CC[C@H]2OCCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)[C@H]2C1	ZINC000294012510	532934700	/nfs/dbraw/zinc/93/47/00/532934700.db2.gz	YLOMLEDSHDJAQG-LSDHHAIUSA-N	0	1	398.257	2.293	20	5		GEBDMN
COC(=O)c1cc(Oc2c3ccccc3nnc2-c2nn[nH]n2)ccc1[N+](=O)[O-]	ZINC000736951283	598969611	/nfs/dbraw/zinc/96/96/11/598969611.db2.gz	QSPKCYQTUVCOFR-UHFFFAOYSA-N	0	1	393.319	2.297	20	5		GEBDMN
Cc1ccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])c(F)c1	ZINC000737362965	599040082	/nfs/dbraw/zinc/04/00/82/599040082.db2.gz	ZSWKXUMUGJCFME-UHFFFAOYSA-N	0	1	378.345	2.023	20	5		GEBDMN
Cc1cccc(NC[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)C2)n1	ZINC000737400736	598671526	/nfs/dbraw/zinc/67/15/26/598671526.db2.gz	YHRAFKITEDXTPW-ZDUSSCGKSA-N	0	1	380.412	2.417	20	5		GEBDMN
CC[C@]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)(C(=O)[O-])c1ccccc1	ZINC000736917573	600128767	/nfs/dbraw/zinc/12/87/67/600128767.db2.gz	NXYXFZQFOXEORL-HXUWFJFHSA-N	0	1	383.404	2.464	20	5		GEBDMN
CCOCC[N@H+]1CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1CC	ZINC000737177919	600259804	/nfs/dbraw/zinc/25/98/04/600259804.db2.gz	WLJRZRXXPHDDNA-GFCCVEGCSA-N	0	1	396.400	2.138	20	5		GEBDMN
CC[C@]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)(C(=O)[O-])c1ccccc1	ZINC000736919071	600304443	/nfs/dbraw/zinc/30/44/43/600304443.db2.gz	XGZOAWMIKFXFCL-HXUWFJFHSA-N	0	1	383.404	2.464	20	5		GEBDMN
O=C([O-])[C@H]1c2ccccc2CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21	ZINC000595889957	601544090	/nfs/dbraw/zinc/54/40/90/601544090.db2.gz	JZBBKRYTPFDIMX-LJQANCHMSA-N	0	1	381.388	2.168	20	5		GEBDMN
O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21	ZINC000595889957	601544091	/nfs/dbraw/zinc/54/40/91/601544091.db2.gz	JZBBKRYTPFDIMX-LJQANCHMSA-N	0	1	381.388	2.168	20	5		GEBDMN
C[C@@H](NC(=O)[O-])C1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1	ZINC000739030255	602707461	/nfs/dbraw/zinc/70/74/61/602707461.db2.gz	YYSNUKGRUBXOGS-MLGOLLRUSA-N	0	1	376.413	2.068	20	5		GEBDMN
Cc1ccc([C@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)s1	ZINC000826283233	607596095	/nfs/dbraw/zinc/59/60/95/607596095.db2.gz	NBBLENFOVUOBOW-VIFPVBQESA-N	0	1	394.438	2.184	20	5		GEBDMN
CC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)c1ccccc1	ZINC000825149359	607600614	/nfs/dbraw/zinc/60/06/14/607600614.db2.gz	XJTBXSYIQBUBPA-GFCCVEGCSA-N	0	1	388.409	2.205	20	5		GEBDMN
COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C1CCC(NC(=O)[O-])CC1	ZINC000829225901	603837102	/nfs/dbraw/zinc/83/71/02/603837102.db2.gz	UKXFFIBHIDIHCR-UHFFFAOYSA-N	0	1	380.401	2.053	20	5		GEBDMN
Cc1nn(C[N@H+]2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)c2ncc([N+](=O)[O-])cc12	ZINC000830870911	603908684	/nfs/dbraw/zinc/90/86/84/603908684.db2.gz	OLCSGMQZAQNQQV-XJKSGUPXSA-N	0	1	388.428	2.460	20	5		GEBDMN
C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1	ZINC000825262256	604161023	/nfs/dbraw/zinc/16/10/23/604161023.db2.gz	AAXSLFAOKRXADR-CHWSQXEVSA-N	0	1	392.412	2.261	20	5		GEBDMN
Cc1cc[nH+]c(N2CCN(c3c(C(=O)[O-])cc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)c1	ZINC000832983950	604281836	/nfs/dbraw/zinc/28/18/36/604281836.db2.gz	JRWPWUUNDNIFIP-UHFFFAOYSA-N	0	1	387.352	2.231	20	5		GEBDMN
CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1	ZINC000833417488	604935310	/nfs/dbraw/zinc/93/53/10/604935310.db2.gz	RMXGAJDYRNBLOJ-CQSZACIVSA-N	0	1	375.425	2.307	20	5		GEBDMN
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-]	ZINC000833635251	605021239	/nfs/dbraw/zinc/02/12/39/605021239.db2.gz	RDNSLQNGIIPFAG-TZMCWYRMSA-N	0	1	393.465	2.470	20	5		GEBDMN
C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-]	ZINC000833622317	605021984	/nfs/dbraw/zinc/02/19/84/605021984.db2.gz	HCXCOXVJOQRROB-NHYWBVRUSA-N	0	1	393.465	2.374	20	5		GEBDMN
C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1	ZINC000833627095	605053333	/nfs/dbraw/zinc/05/33/33/605053333.db2.gz	TVOMLRQIIUJZCA-OAHLLOKOSA-N	0	1	392.456	2.108	20	5		GEBDMN
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](CCC(=O)[O-])C[C@H]1C	ZINC000833545292	605163805	/nfs/dbraw/zinc/16/38/05/605163805.db2.gz	GFSNAKDFSZAGAT-OLZOCXBDSA-N	0	1	381.454	2.083	20	5		GEBDMN
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@H]1C	ZINC000833545292	605163807	/nfs/dbraw/zinc/16/38/07/605163807.db2.gz	GFSNAKDFSZAGAT-OLZOCXBDSA-N	0	1	381.454	2.083	20	5		GEBDMN
O=C([O-])N[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@@H]21	ZINC000834183654	605440032	/nfs/dbraw/zinc/44/00/32/605440032.db2.gz	PRAVVBLVSWFSGZ-KNXALSJPSA-N	0	1	377.397	2.329	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2F)c1-c1nn[nH]n1	ZINC000823648399	607154901	/nfs/dbraw/zinc/15/49/01/607154901.db2.gz	WBMILNVXTXKFTO-UHFFFAOYSA-N	0	1	398.763	2.368	20	5		GEBDMN
Cc1ccc(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)cc1C	ZINC000822241334	607156224	/nfs/dbraw/zinc/15/62/24/607156224.db2.gz	RZDQJKOZTXWTOM-UHFFFAOYSA-N	0	1	388.409	2.217	20	5		GEBDMN
O=C(/C=C/C1CCOCC1)Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl	ZINC000826400135	608161468	/nfs/dbraw/zinc/16/14/68/608161468.db2.gz	QFQCVRHMVSGZOC-OWOJBTEDSA-N	0	1	378.776	2.350	20	5		GEBDMN
C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)N(C)C1CC1	ZINC000447031453	649995261	/nfs/dbraw/zinc/99/52/61/649995261.db2.gz	RVDJXBSBRJSCPT-VIFPVBQESA-N	0	1	392.275	2.118	20	5		GEBDMN
Cn1cnc([N+](=O)[O-])c1CNC(C)(C)COc1ncccc1Br	ZINC000501048465	650386663	/nfs/dbraw/zinc/38/66/63/650386663.db2.gz	HGYGPIFXNXHUBZ-UHFFFAOYSA-N	0	1	384.234	2.433	20	5		GEBDMN
NC(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1	ZINC000462355655	650476790	/nfs/dbraw/zinc/47/67/90/650476790.db2.gz	GIQDWBOZLATPQZ-VXNVDRBHSA-N	0	1	396.252	2.224	20	5		GEBDMN
CCN1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1	ZINC000511544349	650538598	/nfs/dbraw/zinc/53/85/98/650538598.db2.gz	YNTUYZKFCKFADQ-NSHDSACASA-N	0	1	385.262	2.322	20	5		GEBDMN
CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c1	ZINC000537651518	650819622	/nfs/dbraw/zinc/81/96/22/650819622.db2.gz	INJCCZKFBLCTHY-UHFFFAOYSA-N	0	1	384.435	2.498	20	5		GEBDMN
Cc1nc([C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2)n[nH]1	ZINC000104741454	643190309	/nfs/dbraw/zinc/19/03/09/643190309.db2.gz	PWLOZFWJYDDMMO-CYBMUJFWSA-N	0	1	379.423	2.151	20	5		GEBDMN
C[NH+](C)CCOc1cccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1	ZINC000119603538	643560222	/nfs/dbraw/zinc/56/02/22/643560222.db2.gz	UOWSGWQFAYLMLG-UHFFFAOYSA-N	0	1	385.467	2.075	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2NCCc3ccccc32)c(Cl)c1	ZINC000262117865	645618439	/nfs/dbraw/zinc/61/84/39/645618439.db2.gz	BPRRNLMSBIEQLH-HNNXBMFYSA-N	0	1	381.841	2.414	20	5		GEBDMN
CN(C)C[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000269485779	646039902	/nfs/dbraw/zinc/03/99/02/646039902.db2.gz	MUXOZZNMURKARC-LLVKDONJSA-N	0	1	381.376	2.328	20	5		GEBDMN
CC[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H](O)C(F)(F)F	ZINC000270871964	646145668	/nfs/dbraw/zinc/14/56/68/646145668.db2.gz	UARAVPACTRZDPD-GMSGAONNSA-N	0	1	376.740	2.228	20	5		GEBDMN
CS[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C[C@@H]1N1CCCC1	ZINC000332071656	647409880	/nfs/dbraw/zinc/40/98/80/647409880.db2.gz	CNDXOWBQAVHIQZ-LSDHHAIUSA-N	0	1	385.511	2.104	20	5		GEBDMN
CN1CC[C@@H]2CCN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)C[C@@H]21	ZINC000377882832	647871317	/nfs/dbraw/zinc/87/13/17/647871317.db2.gz	GZKQHNROJBJVPA-RNCFNFMXSA-N	0	1	377.825	2.102	20	5		GEBDMN
Cc1c(Cl)cc(S(=O)(=O)NCc2n[nH]c(C(C)(C)C)n2)cc1[N+](=O)[O-]	ZINC000416544386	648167158	/nfs/dbraw/zinc/16/71/58/648167158.db2.gz	OGTJXPLODKNVOP-UHFFFAOYSA-N	0	1	387.849	2.451	20	5		GEBDMN
CC1(C)Oc2ccsc2[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1O	ZINC000416548394	648168112	/nfs/dbraw/zinc/16/81/12/648168112.db2.gz	OEBTXKBNAJBGQT-OCCSQVGLSA-N	0	1	384.435	2.208	20	5		GEBDMN
CCOC1CC(O)(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1	ZINC000443976845	648894242	/nfs/dbraw/zinc/89/42/42/648894242.db2.gz	BAGIBIPUPKCDIR-UHFFFAOYSA-N	0	1	399.252	2.110	20	5		GEBDMN
CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)c1	ZINC000552118164	651140667	/nfs/dbraw/zinc/14/06/67/651140667.db2.gz	YOXNZQLHICKCLY-UHFFFAOYSA-N	0	1	384.435	2.498	20	5		GEBDMN
O=[N+]([O-])c1cc(Br)cnc1N1CCCN(C[C@@H]2CCCO2)CC1	ZINC000610769565	651684155	/nfs/dbraw/zinc/68/41/55/651684155.db2.gz	KHMYCNOBONEHMP-ZDUSSCGKSA-N	0	1	385.262	2.443	20	5		GEBDMN
Cc1noc([C@@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)n1	ZINC000742286201	651973164	/nfs/dbraw/zinc/97/31/64/651973164.db2.gz	DTBCXLPOCBVYSJ-ZCFIWIBFSA-N	0	1	391.203	2.088	20	5		GEBDMN
Cc1noc([C@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)n1	ZINC000742286200	651973260	/nfs/dbraw/zinc/97/32/60/651973260.db2.gz	DTBCXLPOCBVYSJ-LURJTMIESA-N	0	1	391.203	2.088	20	5		GEBDMN
CCOC(=O)c1ccc(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])o1	ZINC000751986465	652375478	/nfs/dbraw/zinc/37/54/78/652375478.db2.gz	UWQHZDLXLGRXMH-UHFFFAOYSA-N	0	1	388.785	2.496	20	5		GEBDMN
CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1F	ZINC000760335666	652604181	/nfs/dbraw/zinc/60/41/81/652604181.db2.gz	WCDZJVYZKLFKKO-UHFFFAOYSA-N	0	1	392.361	2.077	20	5		GEBDMN
COC(=O)CC1(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1	ZINC000593628707	652630028	/nfs/dbraw/zinc/63/00/28/652630028.db2.gz	IMRGXZJVACMSRM-UHFFFAOYSA-N	0	1	383.209	2.276	20	5		GEBDMN
O=C(NCc1n[nH]c([C@H]2CCCO2)n1)c1ccc([N+](=O)[O-])cc1Br	ZINC000594385812	652646518	/nfs/dbraw/zinc/64/65/18/652646518.db2.gz	PLGPAFNFEUPCSI-LLVKDONJSA-N	0	1	396.201	2.257	20	5		GEBDMN
CC(C)[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCN1	ZINC000595413182	652724784	/nfs/dbraw/zinc/72/47/84/652724784.db2.gz	QVYNVHSLWCKLMB-LBPRGKRZSA-N	0	1	381.376	2.232	20	5		GEBDMN
CO[C@H](CS(=O)(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C1CCOCC1	ZINC000596020724	652747732	/nfs/dbraw/zinc/74/77/32/652747732.db2.gz	JNDUBJQAXQWEII-CYBMUJFWSA-N	0	1	393.849	2.014	20	5		GEBDMN
CC[C@@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])Oc1ccccc1Cl	ZINC000599250879	652855256	/nfs/dbraw/zinc/85/52/56/652855256.db2.gz	TVMQQGVQTGYCMK-JTQLQIEISA-N	0	1	388.833	2.118	20	5		GEBDMN
Cc1nnc([C@H](C)NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])o1	ZINC000769908391	653189270	/nfs/dbraw/zinc/18/92/70/653189270.db2.gz	PMKGTSUTOFKSTO-LURJTMIESA-N	0	1	391.203	2.088	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1Cl	ZINC000809808691	653297138	/nfs/dbraw/zinc/29/71/38/653297138.db2.gz	DQAPEXVLSDZKBH-VXGBXAGGSA-N	0	1	377.825	2.292	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1Cl	ZINC000809808691	653297148	/nfs/dbraw/zinc/29/71/48/653297148.db2.gz	DQAPEXVLSDZKBH-VXGBXAGGSA-N	0	1	377.825	2.292	20	5		GEBDMN
CCn1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2Cl)c([N+](=O)[O-])n1	ZINC000811832748	653408455	/nfs/dbraw/zinc/40/84/55/653408455.db2.gz	XUEABHQLMFUGPR-UHFFFAOYSA-N	0	1	375.750	2.174	20	5		GEBDMN
O=C(Cn1ccc([N+](=O)[O-])n1)OCc1nc2ccc(Br)cc2[nH]1	ZINC000780525095	653627483	/nfs/dbraw/zinc/62/74/83/653627483.db2.gz	NZJCVJNYLKZTLL-UHFFFAOYSA-N	0	1	380.158	2.174	20	5		GEBDMN
C[C@H]1CCCN1CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000780864648	653633870	/nfs/dbraw/zinc/63/38/70/653633870.db2.gz	DSQCYMAERKYADH-JTQLQIEISA-N	0	1	392.275	2.120	20	5		GEBDMN
CCN1CCC(N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1	ZINC000814982204	653641815	/nfs/dbraw/zinc/64/18/15/653641815.db2.gz	QUZOCHIRKAORCQ-UHFFFAOYSA-N	0	1	379.841	2.492	20	5		GEBDMN
CN(C)c1cccnc1CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815048258	653647970	/nfs/dbraw/zinc/64/79/70/653647970.db2.gz	UBTAZTQWMMVTQK-UHFFFAOYSA-N	0	1	388.808	2.327	20	5		GEBDMN
O=C(N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F)[C@@H]1CC1[N+](=O)[O-]	ZINC000839748607	653662504	/nfs/dbraw/zinc/66/25/04/653662504.db2.gz	VOEXJTATDFDDSZ-DVVUODLYSA-N	0	1	397.147	2.283	20	5		GEBDMN
C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N(C)Cc1ccc(Br)cc1	ZINC000840672430	653690771	/nfs/dbraw/zinc/69/07/71/653690771.db2.gz	JQQYMVYXCABHSO-ZWKOPEQDSA-N	0	1	385.214	2.004	20	5		GEBDMN
CN1C[C@@H]2CCCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)[C@@H]2C1	ZINC000819910421	653762120	/nfs/dbraw/zinc/76/21/20/653762120.db2.gz	ARAKMLYYUWQHDF-JOYOIKCWSA-N	0	1	377.825	2.102	20	5		GEBDMN
COC(=O)[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)CC1CC1	ZINC000845990882	653877933	/nfs/dbraw/zinc/87/79/33/653877933.db2.gz	CRUJAYLODSUSMS-VIFPVBQESA-N	0	1	394.808	2.255	20	5		GEBDMN
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1CN(C)CCN1C	ZINC000896539988	653883613	/nfs/dbraw/zinc/88/36/13/653883613.db2.gz	CMNOWQHCPSJZBV-NHYWBVRUSA-N	0	1	399.289	2.030	20	5		GEBDMN
O=C(CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)Nc1ccccc1	ZINC000795816065	653968526	/nfs/dbraw/zinc/96/85/26/653968526.db2.gz	SPLWYTSKBJLQJF-UHFFFAOYSA-N	0	1	387.776	2.304	20	5		GEBDMN
CC(C)OC(=O)[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000795863376	653972385	/nfs/dbraw/zinc/97/23/85/653972385.db2.gz	DQULUQRFNVKTCK-MRVPVSSYSA-N	0	1	382.797	2.253	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC[C@H]2COC3(CCCC3)O2)c1	ZINC000795917904	653977276	/nfs/dbraw/zinc/97/72/76/653977276.db2.gz	OROASRYGEMDJFZ-JTQLQIEISA-N	0	1	394.808	2.351	20	5		GEBDMN
C[C@@H]1C[C@H](NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)c2ncnn21	ZINC000849424681	654031426	/nfs/dbraw/zinc/03/14/26/654031426.db2.gz	YAVXQQFIQOHBFZ-SVRRBLITSA-N	0	1	392.224	2.477	20	5		GEBDMN
O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[C@@H]2[C@@H]1CCCN2CCO	ZINC000900790874	654080523	/nfs/dbraw/zinc/08/05/23/654080523.db2.gz	AIOHXNUIGMDNAU-OLZOCXBDSA-N	0	1	398.257	2.029	20	5		GEBDMN
C[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1CN(C)CCN1C	ZINC000900810936	654082081	/nfs/dbraw/zinc/08/20/81/654082081.db2.gz	IVBYFZVIOZQWLF-NOZJJQNGSA-N	0	1	375.256	2.266	20	5		GEBDMN
Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)NCCN(C)C1CC1	ZINC000799765041	654110416	/nfs/dbraw/zinc/11/04/16/654110416.db2.gz	BSQQSGKTDBAMOU-UHFFFAOYSA-N	0	1	392.275	2.038	20	5		GEBDMN
O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H]1CCCN2CCO	ZINC000889763902	654170098	/nfs/dbraw/zinc/17/00/98/654170098.db2.gz	OVXYKOZLIIUGQH-HUUCEWRRSA-N	0	1	398.257	2.029	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCCC12OCCO2	ZINC000851815791	654181573	/nfs/dbraw/zinc/18/15/73/654181573.db2.gz	MRWCHKHQIIFGDN-NSHDSACASA-N	0	1	397.236	2.476	20	5		GEBDMN
CCCN1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1	ZINC000851821292	654183648	/nfs/dbraw/zinc/18/36/48/654183648.db2.gz	QFFMIGANEWSMCP-SNVBAGLBSA-N	0	1	392.275	2.120	20	5		GEBDMN
CCN(C)C(=O)[C@@H](NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(C)C	ZINC000831976829	654221688	/nfs/dbraw/zinc/22/16/88/654221688.db2.gz	PKIMUFKVCGUVLA-ZDUSSCGKSA-N	0	1	395.840	2.169	20	5		GEBDMN
CCN1CCN(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])[C@H](C)C1	ZINC000804381496	654307739	/nfs/dbraw/zinc/30/77/39/654307739.db2.gz	OTQYSMOOCWKXQP-GFCCVEGCSA-N	0	1	399.289	2.346	20	5		GEBDMN
O=c1[nH]c(N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)nc2[nH]ncc21	ZINC000804703533	654318484	/nfs/dbraw/zinc/31/84/84/654318484.db2.gz	OWZWJLQMVOSGSF-UHFFFAOYSA-N	0	1	391.185	2.292	20	5		GEBDMN
Cc1nc([C@H](C)NC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])n[nH]1	ZINC000804812470	654322078	/nfs/dbraw/zinc/32/20/78/654322078.db2.gz	OJIVDLNPUXVMOA-QMMMGPOBSA-N	0	1	397.233	2.097	20	5		GEBDMN
Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]([C@H]2CCOC2)C(F)(F)F)cc1C	ZINC000921863089	654334787	/nfs/dbraw/zinc/33/47/87/654334787.db2.gz	UOQDDCSOFKLMQS-GXFFZTMASA-N	0	1	382.360	2.457	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H]2CC[C@@H](C(F)(F)F)O2)cc1	ZINC000905515340	654362491	/nfs/dbraw/zinc/36/24/91/654362491.db2.gz	CVJCLQXEDVFSKN-YPMHNXCESA-N	0	1	382.360	2.068	20	5		GEBDMN
COC(=O)c1cnc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)c([N+](=O)[O-])c1	ZINC001164723580	720360970	/nfs/dbraw/zinc/36/09/70/720360970.db2.gz	IAACNQMAYGTLCE-HZPDHXFCSA-N	0	1	383.408	2.025	20	5		GEBDMN
O=[N+]([O-])c1cc2ccccc2nc1N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164737893	720729257	/nfs/dbraw/zinc/72/92/57/720729257.db2.gz	DIZGMCIJJUUULC-HZPDHXFCSA-N	0	1	392.419	2.275	20	5		GEBDMN
COc1nc(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)ncc1[N+](=O)[O-]	ZINC001164856757	720919936	/nfs/dbraw/zinc/91/99/36/720919936.db2.gz	KTIFGRNOXIJTFO-GFCCVEGCSA-N	0	1	375.433	2.011	20	5		GEBDMN
COc1cnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c([N+](=O)[O-])c1	ZINC001164904638	721530702	/nfs/dbraw/zinc/53/07/02/721530702.db2.gz	FUUAQAMSAZEPIS-WMLDXEAASA-N	0	1	388.399	2.479	20	5		GEBDMN
O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCN(C[C@H]4CCCO4)CC3)c2c1	ZINC001165037984	721905844	/nfs/dbraw/zinc/90/58/44/721905844.db2.gz	IKSLAVMSJIXMLJ-CYBMUJFWSA-N	0	1	377.832	2.492	20	5		GEBDMN
Cc1nc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)ncc1[N+](=O)[O-]	ZINC001164961582	722061587	/nfs/dbraw/zinc/06/15/87/722061587.db2.gz	MBJOCOVOEMHWTP-UHFFFAOYSA-N	0	1	398.467	2.207	20	5		GEBDMN
O=[N+]([O-])c1cc(F)cnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1	ZINC001164980663	722106271	/nfs/dbraw/zinc/10/62/71/722106271.db2.gz	JWGAQTAMWYHODY-MAUKXSAKSA-N	0	1	387.415	2.251	20	5		GEBDMN
O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccn(CC(F)(F)F)n1	ZINC000157380985	531739503	/nfs/dbraw/zinc/73/95/03/531739503.db2.gz	MSIBWBFWKVLXKR-UHFFFAOYSA-N	0	1	378.332	2.338	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C	ZINC000055547412	531793166	/nfs/dbraw/zinc/79/31/66/531793166.db2.gz	OIETUGRNEKLHKM-UHFFFAOYSA-N	0	1	384.435	2.416	20	5		GEBDMN
CN(C1CCN(C)CC1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000113943308	531953413	/nfs/dbraw/zinc/95/34/13/531953413.db2.gz	PDYBYNNJRXULPX-UHFFFAOYSA-N	0	1	392.275	2.072	20	5		GEBDMN
CN(C)CCN(Cc1cccs1)S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000176794033	532150644	/nfs/dbraw/zinc/15/06/44/532150644.db2.gz	QGZYMIQXGDWJSX-UHFFFAOYSA-N	0	1	375.497	2.470	20	5		GEBDMN
Cc1nc(C)c([C@@H](C)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1	ZINC000178005480	532189483	/nfs/dbraw/zinc/18/94/83/532189483.db2.gz	TWBXCVOOXQZHSB-SNVBAGLBSA-N	0	1	384.483	2.297	20	5		GEBDMN
CCC(=O)N1CC[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1	ZINC000133240298	532229870	/nfs/dbraw/zinc/22/98/70/532229870.db2.gz	ZRGCQMZIMBXZOZ-SECBINFHSA-N	0	1	396.252	2.191	20	5		GEBDMN
O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)c1n[nH]cc1[N+](=O)[O-]	ZINC000179575647	532237239	/nfs/dbraw/zinc/23/72/39/532237239.db2.gz	YENMVCUDTAUTPO-JTQLQIEISA-N	0	1	394.229	2.337	20	5		GEBDMN
Cc1c([C@H](C)NC[C@@H](O)CS(=O)(=O)c2cccs2)cccc1[N+](=O)[O-]	ZINC000181634697	532303889	/nfs/dbraw/zinc/30/38/89/532303889.db2.gz	QWYQNBZCXFYJSX-QWHCGFSZSA-N	0	1	384.479	2.450	20	5		GEBDMN
COc1ccsc1[C@H](C)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000186133413	532339786	/nfs/dbraw/zinc/33/97/86/532339786.db2.gz	FLIPGBSHORNZEK-NSHDSACASA-N	0	1	385.467	2.294	20	5		GEBDMN
COc1ccsc1[C@@H](C)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000186133873	532339936	/nfs/dbraw/zinc/33/99/36/532339936.db2.gz	SPPROPOKULYJMJ-LLVKDONJSA-N	0	1	385.467	2.294	20	5		GEBDMN
C[C@H](NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)c1ncn(C)n1	ZINC000295129103	532405402	/nfs/dbraw/zinc/40/54/02/532405402.db2.gz	KUNFDBHAACRJAY-LURJTMIESA-N	0	1	380.213	2.070	20	5		GEBDMN
O=[N+]([O-])c1cc(I)cc(CN2CCN(C3CC3)CC2)c1	ZINC000518444709	532441336	/nfs/dbraw/zinc/44/13/36/532441336.db2.gz	VHCITFLOSVHWHW-UHFFFAOYSA-N	0	1	387.221	2.479	20	5		GEBDMN
O=C(NCc1nc(-c2cccc(Br)c2)no1)c1n[nH]cc1[N+](=O)[O-]	ZINC000468619317	532469886	/nfs/dbraw/zinc/46/98/86/532469886.db2.gz	ODBJERIXVJWRGN-UHFFFAOYSA-N	0	1	393.157	2.060	20	5		GEBDMN
CC(C)C[C@@H](C[NH3+])[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000236673670	532492605	/nfs/dbraw/zinc/49/26/05/532492605.db2.gz	IFTFMKDRRFUMEX-JTQLQIEISA-N	0	1	380.264	2.009	20	5		GEBDMN
CCn1cc(S(=O)(=O)Nc2cc3c(cc2Cl)CCC3=O)c([N+](=O)[O-])n1	ZINC000432081752	532527241	/nfs/dbraw/zinc/52/72/41/532527241.db2.gz	RVBBIDMCMBXRMB-UHFFFAOYSA-N	0	1	384.801	2.394	20	5		GEBDMN
CCCN1CC[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1	ZINC000595353613	532559560	/nfs/dbraw/zinc/55/95/60/532559560.db2.gz	IQDLMNYKYAKDQL-LLVKDONJSA-N	0	1	381.376	2.376	20	5		GEBDMN
CCCN1CC[C@@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1	ZINC000595354860	532559657	/nfs/dbraw/zinc/55/96/57/532559657.db2.gz	NHEAFWZXKNEAKR-LLVKDONJSA-N	0	1	392.275	2.120	20	5		GEBDMN
CCCN1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1	ZINC000595355830	532559958	/nfs/dbraw/zinc/55/99/58/532559958.db2.gz	RQRFOZFSAZZTQB-SNVBAGLBSA-N	0	1	381.376	2.376	20	5		GEBDMN
COCCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C1	ZINC000283997958	532572705	/nfs/dbraw/zinc/57/27/05/532572705.db2.gz	NKJPQPAXEZSWOM-LLVKDONJSA-N	0	1	386.246	2.116	20	5		GEBDMN
CSc1ccc(CNCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1	ZINC000567799069	532664880	/nfs/dbraw/zinc/66/48/80/532664880.db2.gz	ZHDBEWZIMQWZEQ-UHFFFAOYSA-N	0	1	387.508	2.446	20	5		GEBDMN
CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599236595	532655014	/nfs/dbraw/zinc/65/50/14/532655014.db2.gz	DCECQHXTJUWMPN-RNCFNFMXSA-N	0	1	388.833	2.036	20	5		GEBDMN
Cc1nnc([C@H](C)NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)o1	ZINC000610898598	532719147	/nfs/dbraw/zinc/71/91/47/532719147.db2.gz	DGIHIMNJBJQJOE-LURJTMIESA-N	0	1	391.203	2.088	20	5		GEBDMN
Cc1nc([C@@H](C)Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])n[nH]1	ZINC000286407776	532745470	/nfs/dbraw/zinc/74/54/70/532745470.db2.gz	NRFGOAUNOCNZSX-ZCFIWIBFSA-N	0	1	379.320	2.488	20	5		GEBDMN
CO[C@H]1C[C@@H](CN2CCCC2)N(c2ncc([N+](=O)[O-])cc2Br)C1	ZINC000286507902	532752341	/nfs/dbraw/zinc/75/23/41/532752341.db2.gz	UQLMZRICYINKBK-STQMWFEESA-N	0	1	385.262	2.442	20	5		GEBDMN
CCC(CC)(NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(N)=O	ZINC000462259467	532801643	/nfs/dbraw/zinc/80/16/43/532801643.db2.gz	NEWLCNSZLMLSLB-UHFFFAOYSA-N	0	1	384.241	2.224	20	5		GEBDMN
C[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@H](C)CN1C	ZINC000330592918	532821765	/nfs/dbraw/zinc/82/17/65/532821765.db2.gz	PENKNEFQDAMLDH-GHMZBOCLSA-N	0	1	385.262	2.320	20	5		GEBDMN
C[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)CN1C	ZINC000330592919	532821838	/nfs/dbraw/zinc/82/18/38/532821838.db2.gz	PENKNEFQDAMLDH-MNOVXSKESA-N	0	1	385.262	2.320	20	5		GEBDMN
CS[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C[C@@H]1N(C)C	ZINC000330598277	532821980	/nfs/dbraw/zinc/82/19/80/532821980.db2.gz	WPNZSXAWIZBTSD-UONOGXRCSA-N	0	1	393.918	2.223	20	5		GEBDMN
CC(C)[C@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(F)(F)F	ZINC000414478082	532830669	/nfs/dbraw/zinc/83/06/69/532830669.db2.gz	OCRZHSUUQBIILU-LBPRGKRZSA-N	0	1	384.332	2.231	20	5		GEBDMN
COc1cc(CN2C[C@H](O)C[C@H]2CO)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000359975181	206274910	/nfs/dbraw/zinc/27/49/10/206274910.db2.gz	PZGJCKPGPSBRGT-ZWKOTPCHSA-N	0	1	388.420	2.110	20	5		GEBDMN
C[N@H+](CC(=O)[O-])C[C@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCO1	ZINC000416406268	532876662	/nfs/dbraw/zinc/87/66/62/532876662.db2.gz	XJKSMGQXYAJHLI-JTQLQIEISA-N	0	1	378.212	2.123	20	5		GEBDMN
C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1C	ZINC000416408196	532876730	/nfs/dbraw/zinc/87/67/30/532876730.db2.gz	OOSBHBWKQZCIAH-KOLCDFICSA-N	0	1	381.376	2.375	20	5		GEBDMN
O=c1c(-c2nn[nH]n2)cn(CCOc2ccccc2[N+](=O)[O-])c2ccccc12	ZINC000738372476	598504809	/nfs/dbraw/zinc/50/48/09/598504809.db2.gz	QTGSRJIEBUYISS-UHFFFAOYSA-N	0	1	378.348	2.169	20	5		GEBDMN
CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[C@@H](C)C1	ZINC000737168695	600611005	/nfs/dbraw/zinc/61/10/05/600611005.db2.gz	VSOMFHMVLFHZSF-SUMWQHHRSA-N	0	1	393.440	2.160	20	5		GEBDMN
Cc1cc(N2CCC(NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)CC2)nc(C)[nH+]1	ZINC000832888355	601332078	/nfs/dbraw/zinc/33/20/78/601332078.db2.gz	FYPMWCHARRRNQA-UHFFFAOYSA-N	0	1	399.407	2.099	20	5		GEBDMN
CC(C)C[N@H+]1CC[C@@H](CNc2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000826881548	601688329	/nfs/dbraw/zinc/68/83/29/601688329.db2.gz	YNKFKVAVUXLRMQ-KGLIPLIRSA-N	0	1	392.456	2.188	20	5		GEBDMN
O=C([O-])[C@@]1(NC(=O)c2cccc([N+](=O)[O-])c2)CCC[N@@H+](Cc2ccccc2)C1	ZINC000833129254	601730624	/nfs/dbraw/zinc/73/06/24/601730624.db2.gz	YFZGVDWIXDGABY-HXUWFJFHSA-N	0	1	383.404	2.444	20	5		GEBDMN
O=C([O-])N1CCC([N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C2CC2)CC1	ZINC000740508643	601913464	/nfs/dbraw/zinc/91/34/64/601913464.db2.gz	UOEZUGJRYZVOOV-UHFFFAOYSA-N	0	1	386.412	2.418	20	5		GEBDMN
Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C1CC1)C1CCN(C(=O)[O-])CC1	ZINC000740174746	601934161	/nfs/dbraw/zinc/93/41/61/601934161.db2.gz	LIHAJYFSLFTMRA-UHFFFAOYSA-N	0	1	376.413	2.449	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C1CC1)C1CCN(C(=O)[O-])CC1	ZINC000740151636	601934249	/nfs/dbraw/zinc/93/42/49/601934249.db2.gz	CYNSZIIGAUQOQX-UHFFFAOYSA-N	0	1	376.413	2.449	20	5		GEBDMN
Cc1cc(C)cc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)c1	ZINC000826265437	607573454	/nfs/dbraw/zinc/57/34/54/607573454.db2.gz	ZAKUSMJNLPVZEE-UHFFFAOYSA-N	0	1	375.366	2.159	20	5		GEBDMN
CCC1CCC(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1	ZINC000825194449	607598961	/nfs/dbraw/zinc/59/89/61/607598961.db2.gz	QVMQYUCSLSQNHI-UHFFFAOYSA-N	0	1	394.457	2.270	20	5		GEBDMN
C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1	ZINC000825256676	604228649	/nfs/dbraw/zinc/22/86/49/604228649.db2.gz	ZHEXNWBGEJUSCJ-WOSRLPQWSA-N	0	1	376.413	2.068	20	5		GEBDMN
C[C@H](NC(=O)[O-])[C@@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1	ZINC000825256676	604228651	/nfs/dbraw/zinc/22/86/51/604228651.db2.gz	ZHEXNWBGEJUSCJ-WOSRLPQWSA-N	0	1	376.413	2.068	20	5		GEBDMN
CCc1[nH]nc(C(=O)N(CCO)Cc2cccc(Br)c2)c1[N+](=O)[O-]	ZINC000444401825	649948681	/nfs/dbraw/zinc/94/86/81/649948681.db2.gz	HUPUSYCMTWMGEQ-UHFFFAOYSA-N	0	1	397.229	2.278	20	5		GEBDMN
CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1	ZINC000833420885	604929397	/nfs/dbraw/zinc/92/93/97/604929397.db2.gz	BEDCXSJWGVQJEP-NSHDSACASA-N	0	1	393.396	2.085	20	5		GEBDMN
O=C([O-])N[C@@H]1CCC[C@H]2C[N@@H+](Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C[C@H]21	ZINC000834177857	605322063	/nfs/dbraw/zinc/32/20/63/605322063.db2.gz	DADROQIORCNRIX-RRFJBIMHSA-N	0	1	386.412	2.179	20	5		GEBDMN
O=C([O-])N[C@@H]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]21	ZINC000834189003	605438597	/nfs/dbraw/zinc/43/85/97/605438597.db2.gz	RKVMFGCVQUDNNI-VBNZEHGJSA-N	0	1	376.413	2.292	20	5		GEBDMN
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@@H]2C1	ZINC000833791196	605450130	/nfs/dbraw/zinc/45/01/30/605450130.db2.gz	SVZWURGYVOWMRZ-KOZAUXTDSA-N	0	1	376.413	2.290	20	5		GEBDMN
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@@H]2C1	ZINC000833791200	605450535	/nfs/dbraw/zinc/45/05/35/605450535.db2.gz	SVZWURGYVOWMRZ-NOXHYTERSA-N	0	1	376.413	2.290	20	5		GEBDMN
C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@H]2C1	ZINC000833789015	605454369	/nfs/dbraw/zinc/45/43/69/605454369.db2.gz	FUHMMXZJWHAKAN-KNPMLCFXSA-N	0	1	376.413	2.290	20	5		GEBDMN
O=C([O-])N1CC[C@@H]([N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C2CC2)C1	ZINC000834082855	605784805	/nfs/dbraw/zinc/78/48/05/605784805.db2.gz	MVMVBJCWTBOJBF-CQSZACIVSA-N	0	1	390.396	2.110	20	5		GEBDMN
C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC2(C1)CCN(C(=O)[O-])CC2	ZINC000833789412	605895291	/nfs/dbraw/zinc/89/52/91/605895291.db2.gz	JLCWVAWYRKXHPM-CYBMUJFWSA-N	0	1	376.413	2.388	20	5		GEBDMN
O=C([O-])N1CCC2(CC[N@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)CC1	ZINC000834093648	605898091	/nfs/dbraw/zinc/89/80/91/605898091.db2.gz	NLGYTCBLVKJGAY-INIZCTEOSA-N	0	1	388.424	2.166	20	5		GEBDMN
C[C@H](N[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1cccc([N+](=O)[O-])c1	ZINC000820419404	606301169	/nfs/dbraw/zinc/30/11/69/606301169.db2.gz	GTARLULZGIUVJI-HZMBPMFUSA-N	0	1	399.436	2.293	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000823620736	606703811	/nfs/dbraw/zinc/70/38/11/606703811.db2.gz	PFEAIXVDTZUURI-OAHLLOKOSA-N	0	1	394.439	2.494	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000823620736	606703813	/nfs/dbraw/zinc/70/38/13/606703813.db2.gz	PFEAIXVDTZUURI-OAHLLOKOSA-N	0	1	394.439	2.494	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000823620736	606703815	/nfs/dbraw/zinc/70/38/15/606703815.db2.gz	PFEAIXVDTZUURI-OAHLLOKOSA-N	0	1	394.439	2.494	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000823620736	606703817	/nfs/dbraw/zinc/70/38/17/606703817.db2.gz	PFEAIXVDTZUURI-OAHLLOKOSA-N	0	1	394.439	2.494	20	5		GEBDMN
C[C@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1	ZINC000820727151	606713487	/nfs/dbraw/zinc/71/34/87/606713487.db2.gz	HTXYWNDARRVAQW-AWEZNQCLSA-N	0	1	394.439	2.271	20	5		GEBDMN
C[C@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1	ZINC000820727151	606713488	/nfs/dbraw/zinc/71/34/88/606713488.db2.gz	HTXYWNDARRVAQW-AWEZNQCLSA-N	0	1	394.439	2.271	20	5		GEBDMN
C[C@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1	ZINC000820727151	606713490	/nfs/dbraw/zinc/71/34/90/606713490.db2.gz	HTXYWNDARRVAQW-AWEZNQCLSA-N	0	1	394.439	2.271	20	5		GEBDMN
C[C@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1	ZINC000820727151	606713492	/nfs/dbraw/zinc/71/34/92/606713492.db2.gz	HTXYWNDARRVAQW-AWEZNQCLSA-N	0	1	394.439	2.271	20	5		GEBDMN
CC(C)C[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000820061462	606735482	/nfs/dbraw/zinc/73/54/82/606735482.db2.gz	BUJCFNZKFJHPOM-GFCCVEGCSA-N	0	1	394.457	2.364	20	5		GEBDMN
Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C)c1cccc(-c2nn[nH]n2)c1	ZINC000826304725	608482860	/nfs/dbraw/zinc/48/28/60/608482860.db2.gz	WDCXENUDKHSVKK-GFCCVEGCSA-N	0	1	381.396	2.373	20	5		GEBDMN
Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1cccc(-c2nn[nH]n2)c1	ZINC000826272637	608488097	/nfs/dbraw/zinc/48/80/97/608488097.db2.gz	UGZYZRZPKSSPSN-LBPRGKRZSA-N	0	1	381.396	2.373	20	5		GEBDMN
CCN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1	ZINC000447026578	649994712	/nfs/dbraw/zinc/99/47/12/649994712.db2.gz	IUEAEQBVPPPUGN-UHFFFAOYSA-N	0	1	392.275	2.120	20	5		GEBDMN
Cc1noc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n1	ZINC000447027876	649994824	/nfs/dbraw/zinc/99/48/24/649994824.db2.gz	FYOCPHFOVGLTLZ-LURJTMIESA-N	0	1	380.304	2.345	20	5		GEBDMN
C[C@H]1CN(CCO)CCN1c1c2cc(Br)ccc2ncc1[N+](=O)[O-]	ZINC000450955385	650076337	/nfs/dbraw/zinc/07/63/37/650076337.db2.gz	PIFUOVGDHXXJDK-NSHDSACASA-N	0	1	395.257	2.408	20	5		GEBDMN
CO[C@@H]1COCC[C@@H]1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000451774372	650141218	/nfs/dbraw/zinc/14/12/18/650141218.db2.gz	NDBUXPGDAKBJIY-PRHODGIISA-N	0	1	399.252	2.231	20	5		GEBDMN
COC(=O)[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C)c1ccsc1	ZINC000493970022	650799597	/nfs/dbraw/zinc/79/95/97/650799597.db2.gz	PYIOAVZVYZMRKJ-AWEZNQCLSA-N	0	1	384.435	2.466	20	5		GEBDMN
CNC(=O)c1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1Cl	ZINC000120200524	643595047	/nfs/dbraw/zinc/59/50/47/643595047.db2.gz	SDAWJKRSMQXZBD-UHFFFAOYSA-N	0	1	375.815	2.470	20	5		GEBDMN
[NH3+]C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000124586287	643688019	/nfs/dbraw/zinc/68/80/19/643688019.db2.gz	FFAGILOFISECEO-GXSJLCMTSA-N	0	1	392.275	2.153	20	5		GEBDMN
O=[N+]([O-])c1ccc[nH]c1=NNS(=O)(=O)c1sccc1Br	ZINC000125584425	643708892	/nfs/dbraw/zinc/70/88/92/643708892.db2.gz	BQYRXOJOOSATAW-UHFFFAOYSA-N	0	1	379.217	2.119	20	5		GEBDMN
C[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)[N@@H+](C)C1CC1	ZINC000173109036	644352381	/nfs/dbraw/zinc/35/23/81/644352381.db2.gz	XGNQTWHUTNPAMK-VIFPVBQESA-N	0	1	392.275	2.118	20	5		GEBDMN
C[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)N(C)C1CC1	ZINC000173109036	644352386	/nfs/dbraw/zinc/35/23/86/644352386.db2.gz	XGNQTWHUTNPAMK-VIFPVBQESA-N	0	1	392.275	2.118	20	5		GEBDMN
CC[S@](=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1	ZINC000267452361	645903617	/nfs/dbraw/zinc/90/36/17/645903617.db2.gz	FQLPDBCBVAVOGB-HFXCSBFXSA-N	0	1	378.447	2.092	20	5		GEBDMN
COCCN1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC1	ZINC000277155358	646384311	/nfs/dbraw/zinc/38/43/11/646384311.db2.gz	IWKSQMHCLKYUHZ-UHFFFAOYSA-N	0	1	386.246	2.152	20	5		GEBDMN
CCc1cnc(CNS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])o1	ZINC000281395426	646767982	/nfs/dbraw/zinc/76/79/82/646767982.db2.gz	GPSJWEDQPUZXRM-UHFFFAOYSA-N	0	1	390.215	2.386	20	5		GEBDMN
Cc1sc(C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)cc1[N+](=O)[O-]	ZINC000281712477	646791291	/nfs/dbraw/zinc/79/12/91/646791291.db2.gz	MVHKECUVIPRRDB-UHFFFAOYSA-N	0	1	379.360	2.495	20	5		GEBDMN
CC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)[C@H](O)C(F)F	ZINC000295674000	647236202	/nfs/dbraw/zinc/23/62/02/647236202.db2.gz	HIBHBVBTBJNFQE-XVKPBYJWSA-N	0	1	376.740	2.070	20	5		GEBDMN
CN1CC[C@@H]2CCN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)C[C@H]21	ZINC000377882830	647871340	/nfs/dbraw/zinc/87/13/40/647871340.db2.gz	GZKQHNROJBJVPA-NOZJJQNGSA-N	0	1	377.825	2.102	20	5		GEBDMN
Cc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2I)n[nH]1	ZINC000716738256	651474513	/nfs/dbraw/zinc/47/45/13/651474513.db2.gz	PKQYVAJNOICVLT-UHFFFAOYSA-N	0	1	386.149	2.161	20	5		GEBDMN
Cc1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000609657893	651628605	/nfs/dbraw/zinc/62/86/05/651628605.db2.gz	OPTPTQQDPPJOHN-UHFFFAOYSA-N	0	1	384.435	2.416	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCOC[C@H]1CCOC1	ZINC000610263459	651652322	/nfs/dbraw/zinc/65/23/22/651652322.db2.gz	OHQOEMXDRMDNBF-VIFPVBQESA-N	0	1	399.252	2.233	20	5		GEBDMN
Cc1cc(Cl)c(S(=O)(=O)NC[C@]2(N(C)C)CCSC2)cc1[N+](=O)[O-]	ZINC000752261052	652383062	/nfs/dbraw/zinc/38/30/62/652383062.db2.gz	NXLPPUHNFWZUFJ-CQSZACIVSA-N	0	1	393.918	2.272	20	5		GEBDMN
O=[N+]([O-])c1cccnc1S(=O)(=O)NCCCc1nc2c(s1)CCCC2	ZINC000594752205	652680949	/nfs/dbraw/zinc/68/09/49/652680949.db2.gz	JJFCYVBEFCJUDC-UHFFFAOYSA-N	0	1	382.467	2.236	20	5		GEBDMN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCSc3ccc(Cl)cc32)n1	ZINC000599208559	652854327	/nfs/dbraw/zinc/85/43/27/652854327.db2.gz	IQSPFYOGTNCPKW-SNVBAGLBSA-N	0	1	388.858	2.497	20	5		GEBDMN
COCCN1CCC[C@H]1CNC(=O)c1c(Br)cccc1[N+](=O)[O-]	ZINC000599338105	652862311	/nfs/dbraw/zinc/86/23/11/652862311.db2.gz	BKAMUSWZRKYRAY-NSHDSACASA-N	0	1	386.246	2.198	20	5		GEBDMN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC23CCC(C(F)(F)F)(CC2)CC3)n1	ZINC000600667112	652930395	/nfs/dbraw/zinc/93/03/95/652930395.db2.gz	UGGUOONNCZNFIR-UHFFFAOYSA-N	0	1	382.364	2.262	20	5		GEBDMN
O=C1OCCN1Cc1cccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1	ZINC000768869013	653133996	/nfs/dbraw/zinc/13/39/96/653133996.db2.gz	QRDVTMBXFCGHCC-UHFFFAOYSA-N	0	1	383.407	2.409	20	5		GEBDMN
CO[C@H](C)C(=O)Nc1cccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1	ZINC000768884861	653135726	/nfs/dbraw/zinc/13/57/26/653135726.db2.gz	ZAFRJHVPRVFBRH-SECBINFHSA-N	0	1	385.423	2.431	20	5		GEBDMN
NS(=O)(=O)c1ccc(Sc2nc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])c1	ZINC000602084209	653145844	/nfs/dbraw/zinc/14/58/44/653145844.db2.gz	FDTMRZAONPQVIG-UHFFFAOYSA-N	0	1	377.407	2.179	20	5		GEBDMN
O=[N+]([O-])c1sc(CNC[C@H]2CCCS(=O)(=O)C2)cc1Br	ZINC000602664561	653198780	/nfs/dbraw/zinc/19/87/80/653198780.db2.gz	GTJJODNJQFCWJO-MRVPVSSYSA-N	0	1	383.289	2.333	20	5		GEBDMN
CCC[C@@](C)(NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(=O)OC	ZINC000809808162	653296582	/nfs/dbraw/zinc/29/65/82/653296582.db2.gz	ZRBIASZXUJPRRH-CYBMUJFWSA-N	0	1	382.797	2.397	20	5		GEBDMN
CO[C@H](CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(F)(F)F	ZINC000809816058	653299689	/nfs/dbraw/zinc/29/96/89/653299689.db2.gz	BOEPEBVWWMZESJ-SECBINFHSA-N	0	1	380.703	2.243	20	5		GEBDMN
COC(=O)[C@](C)(NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CC1	ZINC000809818638	653300017	/nfs/dbraw/zinc/30/00/17/653300017.db2.gz	NGXWWKNPMUUSGY-CYBMUJFWSA-N	0	1	380.781	2.007	20	5		GEBDMN
C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000809822057	653301704	/nfs/dbraw/zinc/30/17/04/653301704.db2.gz	WBSKZJZJDAHGBM-SKDRFNHKSA-N	0	1	379.841	2.348	20	5		GEBDMN
C[C@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000809822055	653301991	/nfs/dbraw/zinc/30/19/91/653301991.db2.gz	WBSKZJZJDAHGBM-CABZTGNLSA-N	0	1	379.841	2.348	20	5		GEBDMN
CS[C@H]1CN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[C@H]1N(C)C	ZINC000809828972	653304494	/nfs/dbraw/zinc/30/44/94/653304494.db2.gz	WUGHVDKMNLQSHF-NEPJUHHUSA-N	0	1	397.881	2.053	20	5		GEBDMN
CC(C)COC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000809829398	653305059	/nfs/dbraw/zinc/30/50/59/653305059.db2.gz	AKWKYDVWRJWQFS-QMMMGPOBSA-N	0	1	382.797	2.253	20	5		GEBDMN
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@H](n1cccn1)C(F)(F)F	ZINC000859254756	653429543	/nfs/dbraw/zinc/42/95/43/653429543.db2.gz	CFRVUKYDZGRGQI-JTQLQIEISA-N	0	1	382.295	2.012	20	5		GEBDMN
O=C1O[C@@H](CNCc2cc(Br)c([N+](=O)[O-])s2)CN1C1CC1	ZINC000877621232	653614282	/nfs/dbraw/zinc/61/42/82/653614282.db2.gz	OIUZSGFRJIVLOS-QMMMGPOBSA-N	0	1	376.232	2.492	20	5		GEBDMN
C[C@@H]1CCCN1CCNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000780869018	653634363	/nfs/dbraw/zinc/63/43/63/653634363.db2.gz	ZZSYJRXXAHZITQ-SNVBAGLBSA-N	0	1	392.275	2.120	20	5		GEBDMN
C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C[NH+]1CCCC1	ZINC000814994201	653642368	/nfs/dbraw/zinc/64/23/68/653642368.db2.gz	JZVCXABTEWLUIV-JTQLQIEISA-N	0	1	379.841	2.398	20	5		GEBDMN
C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815018636	653644135	/nfs/dbraw/zinc/64/41/35/653644135.db2.gz	WDNLOPINAYLMCW-SKDRFNHKSA-N	0	1	379.841	2.348	20	5		GEBDMN
C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCN1C	ZINC000815018576	653644163	/nfs/dbraw/zinc/64/41/63/653644163.db2.gz	UGHXGZUQQSFILI-ZJUUUORDSA-N	0	1	379.841	2.491	20	5		GEBDMN
CCO[C@@H](CC[NH+](C)C)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815024023	653645117	/nfs/dbraw/zinc/64/51/17/653645117.db2.gz	PFWVMOHWWRYZGP-JTQLQIEISA-N	0	1	397.856	2.022	20	5		GEBDMN
CC(C)c1nnc(CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])n1C	ZINC000815031698	653646374	/nfs/dbraw/zinc/64/63/74/653646374.db2.gz	BJYFSSHDMIVZRG-UHFFFAOYSA-N	0	1	391.812	2.118	20	5		GEBDMN
O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)[C@@H]1CC1[N+](=O)[O-]	ZINC000839704562	653660850	/nfs/dbraw/zinc/66/08/50/653660850.db2.gz	VLFQNJCBBSOOPN-HUUCEWRRSA-N	0	1	382.258	2.195	20	5		GEBDMN
Cn1cnnc1Sc1ccc(Br)cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000840304718	653682070	/nfs/dbraw/zinc/68/20/70/653682070.db2.gz	LRCZVKUZYABAFM-PSASIEDQSA-N	0	1	398.242	2.333	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H](O)c2cccc(Cl)c2)cc1	ZINC000783909824	653686785	/nfs/dbraw/zinc/68/67/85/653686785.db2.gz	PTHNKHFJUPHSOW-INIZCTEOSA-N	0	1	384.841	2.345	20	5		GEBDMN
CC1(C)COC(=O)[C@@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000841536272	653729392	/nfs/dbraw/zinc/72/93/92/653729392.db2.gz	ZKMROKRXDOHNQU-JTQLQIEISA-N	0	1	383.209	2.132	20	5		GEBDMN
CN(C)CCN(Cc1ccsc1)S(=O)(=O)c1csc([N+](=O)[O-])c1	ZINC000841546697	653730997	/nfs/dbraw/zinc/73/09/97/653730997.db2.gz	NOGVWVOZFGWRQB-UHFFFAOYSA-N	0	1	375.497	2.470	20	5		GEBDMN
COC(=O)[C@H](CC1CC1)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000841555605	653732433	/nfs/dbraw/zinc/73/24/33/653732433.db2.gz	KQUGCTGBMXSQLD-JTQLQIEISA-N	0	1	380.781	2.007	20	5		GEBDMN
CS(=O)(=O)c1ccc([C@H](O)CNCc2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000819149109	653744440	/nfs/dbraw/zinc/74/44/40/653744440.db2.gz	HAPSQGPFDHZPQB-MRXNPFEDSA-N	0	1	384.841	2.475	20	5		GEBDMN
CCOC(=O)[C@H](Cc1cccc(Br)c1)OC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000842347786	653753200	/nfs/dbraw/zinc/75/32/00/653753200.db2.gz	TWSCFGKTWQNYKW-UPJWGTAASA-N	0	1	386.198	2.132	20	5		GEBDMN
C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C1	ZINC000865275684	653758777	/nfs/dbraw/zinc/75/87/77/653758777.db2.gz	NUWKWQWEWWQNCL-CYBMUJFWSA-N	0	1	376.360	2.435	20	5		GEBDMN
C[C@@H]1[C@H](N(C)C)CCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-]	ZINC000820595640	653777523	/nfs/dbraw/zinc/77/75/23/653777523.db2.gz	OCTPJQULNGSZEF-MWLCHTKSSA-N	0	1	381.376	2.417	20	5		GEBDMN
O=[N+]([O-])c1cc(Br)ccc1CN[C@H]1CCCS(=O)(=O)CC1	ZINC000895610790	653843472	/nfs/dbraw/zinc/84/34/72/653843472.db2.gz	ITUFSPBHHAKLPA-LBPRGKRZSA-N	0	1	377.260	2.414	20	5		GEBDMN
CCn1cc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)ccc1=O	ZINC000795298712	653944047	/nfs/dbraw/zinc/94/40/47/653944047.db2.gz	HHNMTPPJIMAWMF-UHFFFAOYSA-N	0	1	375.765	2.370	20	5		GEBDMN
CN(C)C1(CS(=O)(=O)Oc2cc(Br)ccc2[N+](=O)[O-])CC1	ZINC000867554885	653950851	/nfs/dbraw/zinc/95/08/51/653950851.db2.gz	CTWRCDFBRKWUPV-UHFFFAOYSA-N	0	1	379.232	2.160	20	5		GEBDMN
CC(C)(C)OC(=O)NCCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000795806962	653967581	/nfs/dbraw/zinc/96/75/81/653967581.db2.gz	GZLNKIDYRPVIPX-UHFFFAOYSA-N	0	1	397.812	2.190	20	5		GEBDMN
CC[N@@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1	ZINC000795808583	653967937	/nfs/dbraw/zinc/96/79/37/653967937.db2.gz	CCFPUQDSFOHYET-JTQLQIEISA-N	0	1	379.841	2.398	20	5		GEBDMN
CC[N@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1	ZINC000795808583	653967938	/nfs/dbraw/zinc/96/79/38/653967938.db2.gz	CCFPUQDSFOHYET-JTQLQIEISA-N	0	1	379.841	2.398	20	5		GEBDMN
CN(CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)CC(F)(F)F	ZINC000795830001	653969336	/nfs/dbraw/zinc/96/93/36/653969336.db2.gz	PEQWZLAUJZFJNE-UHFFFAOYSA-N	0	1	393.746	2.160	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCCCOC[C@@H]2CCOC2)c1	ZINC000795853545	653970889	/nfs/dbraw/zinc/97/08/89/653970889.db2.gz	CACHIPNDRMSBJG-JTQLQIEISA-N	0	1	396.824	2.109	20	5		GEBDMN
CC(C)(C)OC(=O)CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000795856275	653971544	/nfs/dbraw/zinc/97/15/44/653971544.db2.gz	MIJOQPSLIUVMIK-UHFFFAOYSA-N	0	1	382.797	2.397	20	5		GEBDMN
C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)OC(C)(C)C	ZINC000795882741	653974612	/nfs/dbraw/zinc/97/46/12/653974612.db2.gz	BKNJQJGKGOVHTE-SSDOTTSWSA-N	0	1	382.797	2.396	20	5		GEBDMN
O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H](Cc2nc[nH]n2)c2ccccc2)cs1	ZINC000795963122	653980373	/nfs/dbraw/zinc/98/03/73/653980373.db2.gz	OROBYWGVBSRKTA-LBPRGKRZSA-N	0	1	379.423	2.037	20	5		GEBDMN
O=[N+]([O-])c1cc(S(=O)(=O)N[C@H](Cc2nc[nH]n2)c2ccccc2)cs1	ZINC000795963119	653980436	/nfs/dbraw/zinc/98/04/36/653980436.db2.gz	OROBYWGVBSRKTA-GFCCVEGCSA-N	0	1	379.423	2.037	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCC(O)(C2CC2)C2CC2)c1	ZINC000849468814	654043357	/nfs/dbraw/zinc/04/33/57/654043357.db2.gz	GJPSIZNZPWFIHN-UHFFFAOYSA-N	0	1	378.809	2.217	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@@H]2c3ccccc3C[C@H]2O)c1	ZINC000798227149	654055693	/nfs/dbraw/zinc/05/56/93/654055693.db2.gz	KHEVOYHMRAFHTI-IUODEOHRSA-N	0	1	386.788	2.324	20	5		GEBDMN
CN(C)C[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000851812745	654180646	/nfs/dbraw/zinc/18/06/46/654180646.db2.gz	MNQNCAZWXVZPSS-JTQLQIEISA-N	0	1	379.841	2.492	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NCC1(CF)CCOCC1	ZINC000832180072	654243024	/nfs/dbraw/zinc/24/30/24/654243024.db2.gz	NCINHXIEQLROLR-UHFFFAOYSA-N	0	1	384.788	2.432	20	5		GEBDMN
C[C@@H](OC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])c1nnc[nH]1	ZINC000853224889	654287318	/nfs/dbraw/zinc/28/73/18/654287318.db2.gz	ZUTPOMPFANNWHH-MRVPVSSYSA-N	0	1	384.190	2.216	20	5		GEBDMN
CC(C)N1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1	ZINC000832765745	654293797	/nfs/dbraw/zinc/29/37/97/654293797.db2.gz	ZLBUHBJADKLEJE-SNVBAGLBSA-N	0	1	379.841	2.491	20	5		GEBDMN
CC(C)N1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1	ZINC000832764940	654293810	/nfs/dbraw/zinc/29/38/10/654293810.db2.gz	RRJOHWVQXXLHKZ-JTQLQIEISA-N	0	1	379.841	2.491	20	5		GEBDMN
C[C@@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C[C@@H]1NC(=O)C(F)(F)F	ZINC000853989497	654335289	/nfs/dbraw/zinc/33/52/89/654335289.db2.gz	NJVYBOQJRSCUGV-SFYZADRCSA-N	0	1	377.348	2.197	20	5		GEBDMN
Cc1sc(C(=O)N2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)cc1[N+](=O)[O-]	ZINC000856419026	654480877	/nfs/dbraw/zinc/48/08/77/654480877.db2.gz	AAJIXOONPSTNHI-APPZFPTMSA-N	0	1	379.360	2.494	20	5		GEBDMN
O=C(NC[C@@H]1CN2CCN1CCC2)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl	ZINC000908029423	654598268	/nfs/dbraw/zinc/59/82/68/654598268.db2.gz	JOFIINYJHFZCHB-SECBINFHSA-N	0	1	391.230	2.160	20	5		GEBDMN
COC(=O)c1cnc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)c([N+](=O)[O-])c1	ZINC001164723576	720360518	/nfs/dbraw/zinc/36/05/18/720360518.db2.gz	IAACNQMAYGTLCE-CVEARBPZSA-N	0	1	383.408	2.025	20	5		GEBDMN
CCOC(=O)c1ccnc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)c1[N+](=O)[O-]	ZINC001164732258	720469463	/nfs/dbraw/zinc/46/94/63/720469463.db2.gz	YVNIVLKYWMVVPY-IRXDYDNUSA-N	0	1	397.435	2.415	20	5		GEBDMN
Cc1cc(Cl)nc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164737079	720665197	/nfs/dbraw/zinc/66/51/97/720665197.db2.gz	CXXISUSRNQJIMZ-OLZOCXBDSA-N	0	1	390.831	2.084	20	5		GEBDMN
COc1nc(C)c([N+](=O)[O-])c(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)n1	ZINC001164860524	720963393	/nfs/dbraw/zinc/96/33/93/720963393.db2.gz	QMLLZODZJMOHCV-CYBMUJFWSA-N	0	1	389.460	2.320	20	5		GEBDMN
Cc1cc(C)c([N+](=O)[O-])c(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1	ZINC001164867624	721098702	/nfs/dbraw/zinc/09/87/02/721098702.db2.gz	YURFMKSALSZBDJ-ROUUACIJSA-N	0	1	383.452	2.481	20	5		GEBDMN
Cn1cc(CN2CC[C@@H]3CN(c4cc(Cl)cc([N+](=O)[O-])n4)C[C@H]3C2)cn1	ZINC001164761713	721109945	/nfs/dbraw/zinc/10/99/45/721109945.db2.gz	APLHYQJOQFLDSU-ZIAGYGMSSA-N	0	1	376.848	2.335	20	5		GEBDMN
Cc1cnc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)c([N+](=O)[O-])c1	ZINC001164886744	721383478	/nfs/dbraw/zinc/38/34/78/721383478.db2.gz	GAYSTFARLHCTIX-PXNSSMCTSA-N	0	1	389.500	2.064	20	5		GEBDMN
CCOC(=O)c1nc(Cl)nc(N2CCN(C3CCCC3)CC2)c1[N+](=O)[O-]	ZINC001165030404	721853186	/nfs/dbraw/zinc/85/31/86/721853186.db2.gz	WDGYAAYROSXLOK-UHFFFAOYSA-N	0	1	383.836	2.280	20	5		GEBDMN
O=[N+]([O-])c1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(F)c1	ZINC001164982544	722110063	/nfs/dbraw/zinc/11/00/63/722110063.db2.gz	WZROOKZCQFBGHA-MAUKXSAKSA-N	0	1	387.415	2.251	20	5		GEBDMN
CCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1	ZINC000032589646	531653298	/nfs/dbraw/zinc/65/32/98/531653298.db2.gz	RPQBPKFTHHHGFQ-UHFFFAOYSA-N	0	1	384.435	2.498	20	5		GEBDMN
Cc1c(Br)cc(S(=O)(=O)N2C[C@H](C)NC[C@@H]2C)cc1[N+](=O)[O-]	ZINC000156223264	531723128	/nfs/dbraw/zinc/72/31/28/531723128.db2.gz	LWYUGEQPOMTYBY-IUCAKERBSA-N	0	1	392.275	2.037	20	5		GEBDMN
Cc1c(Br)cc(C(=O)NC[C@@H](C)N2CCN(C)CC2)cc1[N+](=O)[O-]	ZINC000121320242	532023726	/nfs/dbraw/zinc/02/37/26/532023726.db2.gz	HSXMWTNNMULZDR-LLVKDONJSA-N	0	1	399.289	2.031	20	5		GEBDMN
C[S@](=O)c1ccc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1	ZINC000175876991	532117821	/nfs/dbraw/zinc/11/78/21/532117821.db2.gz	CZHKIOBBECVXDZ-QHCPKHFHSA-N	0	1	388.854	2.464	20	5		GEBDMN
Cn1c(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])nnc1C1CCC1	ZINC000125796128	532143009	/nfs/dbraw/zinc/14/30/09/532143009.db2.gz	BHKKAEXMNAXHKR-UHFFFAOYSA-N	0	1	385.833	2.123	20	5		GEBDMN
Cc1c([C@H](C)NC[C@H](O)CS(=O)(=O)c2cccs2)cccc1[N+](=O)[O-]	ZINC000181634663	532304147	/nfs/dbraw/zinc/30/41/47/532304147.db2.gz	QWYQNBZCXFYJSX-STQMWFEESA-N	0	1	384.479	2.450	20	5		GEBDMN
COc1cc(CNCC2([S@](C)=O)CC2)c([N+](=O)[O-])cc1OCC(F)F	ZINC000281813751	532435807	/nfs/dbraw/zinc/43/58/07/532435807.db2.gz	QJHRQJQITPXULZ-VWLOTQADSA-N	0	1	378.397	2.248	20	5		GEBDMN
CC(C)c1nc(CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)n[nH]1	ZINC000295336635	532435926	/nfs/dbraw/zinc/43/59/26/532435926.db2.gz	QQMHFDZEHQTMED-UHFFFAOYSA-N	0	1	377.785	2.107	20	5		GEBDMN
CCNC(=O)[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(C)C	ZINC000432261619	532531442	/nfs/dbraw/zinc/53/14/42/532531442.db2.gz	FFUKNVNGFDIZBW-NSHDSACASA-N	0	1	398.268	2.341	20	5		GEBDMN
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1cc(Br)ccn1	ZINC000432281286	532532410	/nfs/dbraw/zinc/53/24/10/532532410.db2.gz	XBVDXMQHVSZKSN-UHFFFAOYSA-N	0	1	390.190	2.370	20	5		GEBDMN
CCc1[nH]nc(C(=O)N(C)C[C@@H](O)c2ccccc2Br)c1[N+](=O)[O-]	ZINC000296852133	532547482	/nfs/dbraw/zinc/54/74/82/532547482.db2.gz	FUQZMJYRQWISKK-GFCCVEGCSA-N	0	1	397.229	2.448	20	5		GEBDMN
CN1CC[C@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)C[C@@H]21	ZINC000375710746	532577382	/nfs/dbraw/zinc/57/73/82/532577382.db2.gz	MWAIPPXZVIYTIA-CABZTGNLSA-N	0	1	377.825	2.102	20	5		GEBDMN
Cc1c(Br)cc(S(=O)(=O)N2CCN[C@H](C)[C@@H]2C)cc1[N+](=O)[O-]	ZINC000262751709	532599274	/nfs/dbraw/zinc/59/92/74/532599274.db2.gz	GPAWNHNACJWAMX-ZJUUUORDSA-N	0	1	392.275	2.037	20	5		GEBDMN
NC(=O)Nc1cccc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1	ZINC000530700929	532625957	/nfs/dbraw/zinc/62/59/57/532625957.db2.gz	NKGPPGAXEKXLOR-UHFFFAOYSA-N	0	1	384.801	2.217	20	5		GEBDMN
CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)c1nn[nH]n1	ZINC000285249181	532663314	/nfs/dbraw/zinc/66/33/14/532663314.db2.gz	LOOBCSHNVKTVEC-LLVKDONJSA-N	0	1	383.206	2.450	20	5		GEBDMN
CCOCc1nc([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])no1	ZINC000574368404	532713583	/nfs/dbraw/zinc/71/35/83/532713583.db2.gz	JEYLDZPGZLSQBB-QMMMGPOBSA-N	0	1	390.805	2.207	20	5		GEBDMN
Cc1ccc(S(=O)(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)c([N+](=O)[O-])c1	ZINC000446950196	532756555	/nfs/dbraw/zinc/75/65/55/532756555.db2.gz	LLVUQBSEEYDIHX-GFCCVEGCSA-N	0	1	378.332	2.219	20	5		GEBDMN
C[C@@H]1CN(C2CCN(c3c(Br)cncc3[N+](=O)[O-])CC2)CCO1	ZINC000301988659	532764720	/nfs/dbraw/zinc/76/47/20/532764720.db2.gz	NYMXGOCECKGQSE-LLVKDONJSA-N	0	1	385.262	2.442	20	5		GEBDMN
CCn1cc(S(=O)(=O)Nc2ncc(C)cc2Br)c([N+](=O)[O-])n1	ZINC000513790060	532779674	/nfs/dbraw/zinc/77/96/74/532779674.db2.gz	RKJALDIGXPVAAJ-UHFFFAOYSA-N	0	1	390.219	2.078	20	5		GEBDMN
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C1CC1)C(F)(F)F	ZINC000288268185	532822812	/nfs/dbraw/zinc/82/28/12/532822812.db2.gz	DCBRYWQOTZWXQK-NSHDSACASA-N	0	1	382.316	2.001	20	5		GEBDMN
CS[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1N1CCCC1	ZINC000332082689	532848682	/nfs/dbraw/zinc/84/86/82/532848682.db2.gz	OHDDNILELFMXQC-CVEARBPZSA-N	0	1	385.511	2.104	20	5		GEBDMN
C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCN1C	ZINC000290759388	532888780	/nfs/dbraw/zinc/88/87/80/532888780.db2.gz	NJKBXFZCCOUAEK-UWVGGRQHSA-N	0	1	379.841	2.491	20	5		GEBDMN
COCCOCCOCCN(C)Cc1ccc(Br)c([N+](=O)[O-])c1	ZINC000276202397	532890615	/nfs/dbraw/zinc/89/06/15/532890615.db2.gz	NWOYOIKCZYUHRH-UHFFFAOYSA-N	0	1	391.262	2.469	20	5		GEBDMN
C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1c1nc2sccn2c1[N+](=O)[O-]	ZINC000292364823	532915475	/nfs/dbraw/zinc/91/54/75/532915475.db2.gz	RPADGBFESPEVNB-HTQZYQBOSA-N	0	1	377.348	2.340	20	5		GEBDMN
Cc1cc(S(=O)(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)ccc1[N+](=O)[O-]	ZINC000737282204	599018661	/nfs/dbraw/zinc/01/86/61/599018661.db2.gz	BUPWYDGYXVXLGL-UHFFFAOYSA-N	0	1	378.345	2.023	20	5		GEBDMN
Cc1cccc([N+](=O)[O-])c1N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1	ZINC000737411109	598745142	/nfs/dbraw/zinc/74/51/42/598745142.db2.gz	JPUVGWBAMNQVKQ-UHFFFAOYSA-N	0	1	396.411	2.275	20	5		GEBDMN
CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-]	ZINC000737346843	599708645	/nfs/dbraw/zinc/70/86/45/599708645.db2.gz	DHGYJBFCRUZGNF-DZFYGRHCSA-N	0	1	390.440	2.047	20	5		GEBDMN
C[N@@H+](Cc1ccc(C(=O)[O-])cc1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000737470763	599838629	/nfs/dbraw/zinc/83/86/29/599838629.db2.gz	KJQUQFYTJCWNHI-UHFFFAOYSA-N	0	1	398.375	2.151	20	5		GEBDMN
C[N@H+](Cc1ccc(C(=O)[O-])cc1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000737470763	599838631	/nfs/dbraw/zinc/83/86/31/599838631.db2.gz	KJQUQFYTJCWNHI-UHFFFAOYSA-N	0	1	398.375	2.151	20	5		GEBDMN
CC[C@@]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)(C(=O)[O-])c1ccccc1	ZINC000736919070	600304070	/nfs/dbraw/zinc/30/40/70/600304070.db2.gz	XGZOAWMIKFXFCL-FQEVSTJZSA-N	0	1	383.404	2.464	20	5		GEBDMN
O=C([O-])CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCCO1	ZINC000739719546	600513697	/nfs/dbraw/zinc/51/36/97/600513697.db2.gz	XSVLZHKFFPHMCV-GFCCVEGCSA-N	0	1	385.804	2.142	20	5		GEBDMN
O=C([O-])CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCCO1	ZINC000739719546	600513698	/nfs/dbraw/zinc/51/36/98/600513698.db2.gz	XSVLZHKFFPHMCV-GFCCVEGCSA-N	0	1	385.804	2.142	20	5		GEBDMN
CC[C@@H]1CCCC[N@H+]1CCNc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000736942245	600637652	/nfs/dbraw/zinc/63/76/52/600637652.db2.gz	SKASLHSRVZRHDN-DZGCQCFKSA-N	0	1	392.456	2.474	20	5		GEBDMN
O=C([O-])CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1	ZINC000515300713	601048138	/nfs/dbraw/zinc/04/81/38/601048138.db2.gz	XOPWUDRSLULTFQ-UHFFFAOYSA-N	0	1	385.804	2.142	20	5		GEBDMN
C[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1([NH+]2CCOCC2)CCCC1	ZINC000736653265	601094913	/nfs/dbraw/zinc/09/49/13/601094913.db2.gz	XJSFWOOTWDNBBX-CYBMUJFWSA-N	0	1	391.424	2.056	20	5		GEBDMN
C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CC[C@@H](C(=O)[O-])C1	ZINC000817743809	601378951	/nfs/dbraw/zinc/37/89/51/601378951.db2.gz	IHOZJCOLHFCCIC-CMPLNLGQSA-N	0	1	390.421	2.452	20	5		GEBDMN
C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CC[C@@H](C(=O)[O-])C1	ZINC000817743809	601378953	/nfs/dbraw/zinc/37/89/53/601378953.db2.gz	IHOZJCOLHFCCIC-CMPLNLGQSA-N	0	1	390.421	2.452	20	5		GEBDMN
O=C([O-])[C@]1(NC(=O)c2ccc([N+](=O)[O-])cc2)CCC[N@@H+](Cc2ccccc2)C1	ZINC000833128505	601741318	/nfs/dbraw/zinc/74/13/18/601741318.db2.gz	IGNUJLDSPGGMFB-FQEVSTJZSA-N	0	1	383.404	2.444	20	5		GEBDMN
Cc1cc(C)c(C)c(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)c1	ZINC000826263028	607577502	/nfs/dbraw/zinc/57/75/02/607577502.db2.gz	IJPDENITTAFJED-UHFFFAOYSA-N	0	1	389.393	2.468	20	5		GEBDMN
COc1ccc(NC(=O)CC[N@@H+]2C[C@@H](C)N(C(=O)[O-])[C@@H](C)C2)c([N+](=O)[O-])c1	ZINC000739918552	602836135	/nfs/dbraw/zinc/83/61/35/602836135.db2.gz	DHPJOQJJDNWIGZ-TXEJJXNPSA-N	0	1	380.401	2.005	20	5		GEBDMN
CCCC[C@H]1CCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000825266690	607606668	/nfs/dbraw/zinc/60/66/68/607606668.db2.gz	GMLLUVKRZXHXLH-NWDGAFQWSA-N	0	1	394.457	2.412	20	5		GEBDMN
CC[C@@H](C)[C@H](C)N(C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000825060208	607608105	/nfs/dbraw/zinc/60/81/05/607608105.db2.gz	OQTNNTVNDXJSDT-MNOVXSKESA-N	0	1	394.457	2.363	20	5		GEBDMN
C[C@H]1CCCC[C@H]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000824936172	607616864	/nfs/dbraw/zinc/61/68/64/607616864.db2.gz	FGHLYJOGHKRXMN-RYUDHWBXSA-N	0	1	394.457	2.270	20	5		GEBDMN
COc1cc(C[N@H+](C)[C@@H]2CCN(C(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F	ZINC000829115658	603499479	/nfs/dbraw/zinc/49/94/79/603499479.db2.gz	OYQCWYQRTJCNCT-SNVBAGLBSA-N	0	1	375.328	2.389	20	5		GEBDMN
COc1cc(C[N@@H+](C)[C@@H]2CCN(C(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F	ZINC000829115658	603499480	/nfs/dbraw/zinc/49/94/80/603499480.db2.gz	OYQCWYQRTJCNCT-SNVBAGLBSA-N	0	1	375.328	2.389	20	5		GEBDMN
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000829224057	603975313	/nfs/dbraw/zinc/97/53/13/603975313.db2.gz	FTRGBNNFJPFSTG-OCCSQVGLSA-N	0	1	392.412	2.149	20	5		GEBDMN
CC(C)CC(C)(C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000824228183	607664990	/nfs/dbraw/zinc/66/49/90/607664990.db2.gz	GCAHWOCTZPOULM-UHFFFAOYSA-N	0	1	382.446	2.126	20	5		GEBDMN
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1	ZINC000833601708	605181741	/nfs/dbraw/zinc/18/17/41/605181741.db2.gz	DXHIHTQGKILWMN-GASCZTMLSA-N	0	1	376.457	2.288	20	5		GEBDMN
C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@H]2C1	ZINC000833790543	605445386	/nfs/dbraw/zinc/44/53/86/605445386.db2.gz	PHYZAFWQCFLVEK-RFGFWPKPSA-N	0	1	376.413	2.290	20	5		GEBDMN
O=[N+]([O-])c1cnc2ccc(Br)cc2c1NCCN1CCCOCC1	ZINC000445667758	649963413	/nfs/dbraw/zinc/96/34/13/649963413.db2.gz	HZBXJZYAYIASRV-UHFFFAOYSA-N	0	1	395.257	2.462	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC1CC[NH+](Cc2ccccc2)CC1	ZINC000823620287	606704050	/nfs/dbraw/zinc/70/40/50/606704050.db2.gz	JMXIZIPKWIPRDO-UHFFFAOYSA-N	0	1	394.439	2.494	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC1CC[NH+](Cc2ccccc2)CC1	ZINC000823620287	606704051	/nfs/dbraw/zinc/70/40/51/606704051.db2.gz	JMXIZIPKWIPRDO-UHFFFAOYSA-N	0	1	394.439	2.494	20	5		GEBDMN
C[C@@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1	ZINC000820727152	606713502	/nfs/dbraw/zinc/71/35/02/606713502.db2.gz	HTXYWNDARRVAQW-CQSZACIVSA-N	0	1	394.439	2.271	20	5		GEBDMN
C[C@@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1	ZINC000820727152	606713504	/nfs/dbraw/zinc/71/35/04/606713504.db2.gz	HTXYWNDARRVAQW-CQSZACIVSA-N	0	1	394.439	2.271	20	5		GEBDMN
C[C@@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1	ZINC000820727152	606713505	/nfs/dbraw/zinc/71/35/05/606713505.db2.gz	HTXYWNDARRVAQW-CQSZACIVSA-N	0	1	394.439	2.271	20	5		GEBDMN
C[C@@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1	ZINC000820727152	606713507	/nfs/dbraw/zinc/71/35/07/606713507.db2.gz	HTXYWNDARRVAQW-CQSZACIVSA-N	0	1	394.439	2.271	20	5		GEBDMN
CC(C)(C)C[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000819907880	606732022	/nfs/dbraw/zinc/73/20/22/606732022.db2.gz	RYNBALJVQUDGEO-LLVKDONJSA-N	0	1	394.457	2.364	20	5		GEBDMN
CCC[C@H](C)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000821014438	607144445	/nfs/dbraw/zinc/14/44/45/607144445.db2.gz	HEOWXCGWKVQKDT-NWDGAFQWSA-N	0	1	394.457	2.364	20	5		GEBDMN
Cc1cc([N+](=O)[O-])ccc1N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1	ZINC000826272306	608366041	/nfs/dbraw/zinc/36/60/41/608366041.db2.gz	CVUYUFRMKKJSSR-UHFFFAOYSA-N	0	1	396.411	2.275	20	5		GEBDMN
O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1	ZINC000826498953	608585395	/nfs/dbraw/zinc/58/53/95/608585395.db2.gz	PSNQJNZYNWFHAV-UHFFFAOYSA-N	0	1	395.423	2.193	20	5		GEBDMN
CCNC(=O)C(C)(C)NCc1cc(I)cc([N+](=O)[O-])c1	ZINC000453598472	650209785	/nfs/dbraw/zinc/20/97/85/650209785.db2.gz	AHAWCJDPXJAEKG-UHFFFAOYSA-N	0	1	391.209	2.204	20	5		GEBDMN
CCN1CCN([C@H](C)CNc2ncc([N+](=O)[O-])c(C)c2Br)CC1	ZINC000543450050	650422863	/nfs/dbraw/zinc/42/28/63/650422863.db2.gz	YEBVCGMHRIBPJG-LLVKDONJSA-N	0	1	386.294	2.499	20	5		GEBDMN
C[C@@H](Cn1ccnc1)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000462534914	650483150	/nfs/dbraw/zinc/48/31/50/650483150.db2.gz	GYHHRGDPJFQLHD-QMMMGPOBSA-N	0	1	379.225	2.465	20	5		GEBDMN
CN(C)C(=O)C(C)(C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000525688204	650656038	/nfs/dbraw/zinc/65/60/38/650656038.db2.gz	OODHGCMKWVRVII-UHFFFAOYSA-N	0	1	384.241	2.047	20	5		GEBDMN
COc1ccccc1[C@@H](CO)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000533553380	650762214	/nfs/dbraw/zinc/76/22/14/650762214.db2.gz	DPYODFSSXQVOSQ-GFCCVEGCSA-N	0	1	386.813	2.269	20	5		GEBDMN
CC[NH+](CC)CCC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000121573499	643635676	/nfs/dbraw/zinc/63/56/76/643635676.db2.gz	UOIQDPSRNMLZHL-UHFFFAOYSA-N	0	1	394.291	2.368	20	5		GEBDMN
Cc1ccc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)c(C)c2)cc1[N+](=O)[O-]	ZINC000498481524	650858032	/nfs/dbraw/zinc/85/80/32/650858032.db2.gz	PHBAWWBPALZJSD-UHFFFAOYSA-N	0	1	384.435	2.416	20	5		GEBDMN
O=c1ccc([N+](=O)[O-])cn1CCN[C@@H](CCO)c1ccccc1Br	ZINC000542880997	650893168	/nfs/dbraw/zinc/89/31/68/650893168.db2.gz	IRWOWNVEDZRYEO-HNNXBMFYSA-N	0	1	396.241	2.232	20	5		GEBDMN
Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c1	ZINC000542933022	650895259	/nfs/dbraw/zinc/89/52/59/650895259.db2.gz	HSFCKIPDHNXDCY-UHFFFAOYSA-N	0	1	384.435	2.416	20	5		GEBDMN
C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)N(C)C1CC1	ZINC000170787966	644287078	/nfs/dbraw/zinc/28/70/78/644287078.db2.gz	FPZLGLXLHAHFES-VIFPVBQESA-N	0	1	392.275	2.118	20	5		GEBDMN
CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2I)CCN1	ZINC000175392426	644389832	/nfs/dbraw/zinc/38/98/32/644389832.db2.gz	IUWWASATRYFZLQ-UHFFFAOYSA-N	0	1	389.193	2.023	20	5		GEBDMN
CN(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cn1C	ZINC000180613062	644510030	/nfs/dbraw/zinc/51/00/30/644510030.db2.gz	PURPGPBLCUPDOJ-UHFFFAOYSA-N	0	1	386.817	2.089	20	5		GEBDMN
O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000182898301	644973033	/nfs/dbraw/zinc/97/30/33/644973033.db2.gz	VNQYWGALDAMMHX-SNVBAGLBSA-N	0	1	384.179	2.160	20	5		GEBDMN
C[C@@H](C[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000263494527	645666772	/nfs/dbraw/zinc/66/67/72/645666772.db2.gz	JJRWKCCHAQVGML-QMMMGPOBSA-N	0	1	378.166	2.352	20	5		GEBDMN
O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@@H](c2n[nH]c(=O)o2)C1	ZINC000332292468	647429924	/nfs/dbraw/zinc/42/99/24/647429924.db2.gz	JMXYFUPPBWMCEY-MRVPVSSYSA-N	0	1	397.185	2.466	20	5		GEBDMN
CC1(C)Oc2ccsc2[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1O	ZINC000416542463	648166452	/nfs/dbraw/zinc/16/64/52/648166452.db2.gz	DSRUNTFDMCRKEQ-PWSUYJOCSA-N	0	1	390.464	2.269	20	5		GEBDMN
CN(C)CCN(Cc1ccsc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000416562177	648172524	/nfs/dbraw/zinc/17/25/24/648172524.db2.gz	PQLUIIHRVOONIK-UHFFFAOYSA-N	0	1	375.497	2.470	20	5		GEBDMN
NC(=O)C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1	ZINC000549928704	651103359	/nfs/dbraw/zinc/10/33/59/651103359.db2.gz	YNYJYJAGRPIWDY-LBPRGKRZSA-N	0	1	383.813	2.143	20	5		GEBDMN
COCCN1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1	ZINC000610064741	651641367	/nfs/dbraw/zinc/64/13/67/651641367.db2.gz	UQSQVUNZZHUETI-LLVKDONJSA-N	0	1	386.246	2.198	20	5		GEBDMN
COC(=O)c1ccc(S(=O)(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c(Cl)c1	ZINC000751267135	652336657	/nfs/dbraw/zinc/33/66/57/652336657.db2.gz	FCWNKRAVQDCXJT-UHFFFAOYSA-N	0	1	385.785	2.418	20	5		GEBDMN
COc1ccccc1[C@H](CO)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000751421992	652347235	/nfs/dbraw/zinc/34/72/35/652347235.db2.gz	FIDYHQOLNDZKFH-LBPRGKRZSA-N	0	1	386.813	2.269	20	5		GEBDMN
COCC[C@@H](COC)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000583232973	652478124	/nfs/dbraw/zinc/47/81/24/652478124.db2.gz	MJEVQMYFZWNJDQ-VIFPVBQESA-N	0	1	387.241	2.231	20	5		GEBDMN
CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1	ZINC000584808695	652530347	/nfs/dbraw/zinc/53/03/47/652530347.db2.gz	BMUCNKLWOATPCT-UHFFFAOYSA-N	0	1	384.435	2.362	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1C[C@@H](O)C12CCC2	ZINC000594866906	652694489	/nfs/dbraw/zinc/69/44/89/652694489.db2.gz	YXVJGGFAFBSZJI-WDEREUQCSA-N	0	1	381.237	2.483	20	5		GEBDMN
C[C@@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccnc(Cl)c1	ZINC000765401448	652838019	/nfs/dbraw/zinc/83/80/19/652838019.db2.gz	KXVWWLCLCXKCIJ-LLVKDONJSA-N	0	1	384.845	2.272	20	5		GEBDMN
O=C(NCc1n[nH]c([C@@H]2CCCO2)n1)c1c(Br)cccc1[N+](=O)[O-]	ZINC000600085010	652902351	/nfs/dbraw/zinc/90/23/51/652902351.db2.gz	CULNVACDUDMVOQ-JTQLQIEISA-N	0	1	396.201	2.257	20	5		GEBDMN
CS[C@H]1CN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C[C@@H]1N1CCCC1	ZINC000601396533	653090975	/nfs/dbraw/zinc/09/09/75/653090975.db2.gz	FPPWTVNQZJWZQE-RYUDHWBXSA-N	0	1	391.540	2.165	20	5		GEBDMN
O=[N+]([O-])c1cccc(Br)c1CN1CCN([C@H]2CCC[C@@H]2O)CC1	ZINC000769327653	653149028	/nfs/dbraw/zinc/14/90/28/653149028.db2.gz	KJWHBEBNZAXYFB-HOTGVXAUSA-N	0	1	384.274	2.388	20	5		GEBDMN
Cc1nnc([C@@H](C)NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])o1	ZINC000769908394	653189324	/nfs/dbraw/zinc/18/93/24/653189324.db2.gz	PMKGTSUTOFKSTO-ZCFIWIBFSA-N	0	1	391.203	2.088	20	5		GEBDMN
CS[C@@H]1CN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[C@H]1N(C)C	ZINC000809828975	653304583	/nfs/dbraw/zinc/30/45/83/653304583.db2.gz	WUGHVDKMNLQSHF-VXGBXAGGSA-N	0	1	397.881	2.053	20	5		GEBDMN
COc1ncccc1CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000810110798	653325740	/nfs/dbraw/zinc/32/57/40/653325740.db2.gz	QBXOCIQAHRVEQH-UHFFFAOYSA-N	0	1	389.792	2.312	20	5		GEBDMN
CCCCCC[N@@H+](C)CC(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000778706649	653454245	/nfs/dbraw/zinc/45/42/45/653454245.db2.gz	AVYTUMKORIJGCK-UHFFFAOYSA-N	0	1	375.422	2.051	20	5		GEBDMN
CC[C@@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@H](O)C(F)(F)F	ZINC000815029962	653646147	/nfs/dbraw/zinc/64/61/47/653646147.db2.gz	UKWRDKRRGRKTKA-XCBNKYQSSA-N	0	1	394.730	2.367	20	5		GEBDMN
Cc1noc(C(C)(C)NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])n1	ZINC000815040899	653647372	/nfs/dbraw/zinc/64/73/72/653647372.db2.gz	GPTWJAUIKUXFHE-UHFFFAOYSA-N	0	1	378.769	2.292	20	5		GEBDMN
Cc1ccc(S(=O)(=O)NCCN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1	ZINC000815597069	653662026	/nfs/dbraw/zinc/66/20/26/653662026.db2.gz	LPGBEUGVQRROCX-LLVKDONJSA-N	0	1	384.483	2.176	20	5		GEBDMN
O=C(NCc1ccc(Cl)cc1I)[C@@H]1CC1[N+](=O)[O-]	ZINC000839739563	653662105	/nfs/dbraw/zinc/66/21/05/653662105.db2.gz	CCKBALGCADYBJE-PSASIEDQSA-N	0	1	380.569	2.226	20	5		GEBDMN
Cc1ccc(N2CCNC2=O)cc1NS(=O)(=O)c1csc([N+](=O)[O-])c1	ZINC000782491241	653662756	/nfs/dbraw/zinc/66/27/56/653662756.db2.gz	NTRZZTUMRGSZMO-UHFFFAOYSA-N	0	1	382.423	2.295	20	5		GEBDMN
O=C([C@@H]1CC1[N+](=O)[O-])N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F	ZINC000839772892	653663718	/nfs/dbraw/zinc/66/37/18/653663718.db2.gz	HGASMUIKZTWAES-UPJWGTAASA-N	0	1	380.750	2.300	20	5		GEBDMN
CN(CC(=O)N1CCc2nc[nH]c2C1)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000861762927	653666511	/nfs/dbraw/zinc/66/65/11/653666511.db2.gz	GVPIFLRYUZLQLQ-UHFFFAOYSA-N	0	1	394.229	2.102	20	5		GEBDMN
Cc1nc(CN2CCN(c3cc(F)cc(Br)c3[N+](=O)[O-])CC2)n[nH]1	ZINC000882159513	653766696	/nfs/dbraw/zinc/76/66/96/653766696.db2.gz	ALXDZNVYBPSAEQ-UHFFFAOYSA-N	0	1	399.224	2.245	20	5		GEBDMN
CO[C@@H](CS(=O)(=O)Nc1c(C)c([N+](=O)[O-])ccc1F)C1CCOCC1	ZINC000842806056	653768692	/nfs/dbraw/zinc/76/86/92/653768692.db2.gz	JXAKDAATMNPXOV-AWEZNQCLSA-N	0	1	376.406	2.226	20	5		GEBDMN
CNS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1	ZINC000794123616	653897699	/nfs/dbraw/zinc/89/76/99/653897699.db2.gz	JUJMXFPLRWIGHD-UHFFFAOYSA-N	0	1	385.785	2.114	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1	ZINC000884956284	653897843	/nfs/dbraw/zinc/89/78/43/653897843.db2.gz	ZQKSOAUMWPWYCL-NXEZZACHSA-N	0	1	377.825	2.292	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1	ZINC000884956284	653897846	/nfs/dbraw/zinc/89/78/46/653897846.db2.gz	ZQKSOAUMWPWYCL-NXEZZACHSA-N	0	1	377.825	2.292	20	5		GEBDMN
CC1(C)[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)[C@@H]2CCO[C@@H]21	ZINC000795853945	653971172	/nfs/dbraw/zinc/97/11/72/653971172.db2.gz	DFWUTJHKFDPHOF-CKLFPEKLSA-N	0	1	378.809	2.479	20	5		GEBDMN
CC(C)c1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ncc2Br)n[nH]1	ZINC000827526650	653996142	/nfs/dbraw/zinc/99/61/42/653996142.db2.gz	RXKRSFUFDNWVED-SSDOTTSWSA-N	0	1	383.206	2.485	20	5		GEBDMN
Cc1cc(CNC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])n[nH]1	ZINC000796453374	653998429	/nfs/dbraw/zinc/99/84/29/653998429.db2.gz	FRKRQKQCSYEABM-UHFFFAOYSA-N	0	1	382.218	2.141	20	5		GEBDMN
CC(C)(C)N1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1=O	ZINC000827814903	654008933	/nfs/dbraw/zinc/00/89/33/654008933.db2.gz	KDQSXWSUALLUJS-SNVBAGLBSA-N	0	1	393.824	2.065	20	5		GEBDMN
COC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C1CCOCC1	ZINC000849418846	654029030	/nfs/dbraw/zinc/02/90/30/654029030.db2.gz	JAZQDWYRMRAQAO-GFCCVEGCSA-N	0	1	396.824	2.107	20	5		GEBDMN
CSc1cccc(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)c1[N+](=O)[O-]	ZINC000831130596	654165893	/nfs/dbraw/zinc/16/58/93/654165893.db2.gz	YXMOZOMKCMUGCN-UHFFFAOYSA-N	0	1	377.344	2.067	20	5		GEBDMN
O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H]2[C@H]1CCCN2CCO	ZINC000889770373	654171357	/nfs/dbraw/zinc/17/13/57/654171357.db2.gz	ZVATXQULKOAUAH-LSDHHAIUSA-N	0	1	398.257	2.029	20	5		GEBDMN
O=C([O-])[C@]12C[N@@H+](Cc3c(Br)cccc3[N+](=O)[O-])C[C@H]1COCC2	ZINC000903904920	654291595	/nfs/dbraw/zinc/29/15/95/654291595.db2.gz	PZAGKIZYZJKHCK-ZUZCIYMTSA-N	0	1	385.214	2.280	20	5		GEBDMN
CN(C)[C@H](CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(F)(F)F	ZINC000921633157	654295921	/nfs/dbraw/zinc/29/59/21/654295921.db2.gz	IPEGBUULDGWUNQ-SNVBAGLBSA-N	0	1	389.783	2.409	20	5		GEBDMN
C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CCN(C2CC2)C1	ZINC000832949800	654301000	/nfs/dbraw/zinc/30/10/00/654301000.db2.gz	PCYHAIPXCQTOGK-JTQLQIEISA-N	0	1	383.246	2.309	20	5		GEBDMN
COCC[C@H]1CNCCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1	ZINC000904470663	654312192	/nfs/dbraw/zinc/31/21/92/654312192.db2.gz	ONDJYZSHERYGEE-LBPRGKRZSA-N	0	1	387.234	2.200	20	5		GEBDMN
O=C1OC[C@]2(CNCc3cc(Cl)cc(Cl)c3[N+](=O)[O-])COCCN12	ZINC000872261028	654320486	/nfs/dbraw/zinc/32/04/86/654320486.db2.gz	HNFBCNWBLAYKDL-AWEZNQCLSA-N	0	1	376.196	2.212	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]([C@H]2CCOC2)C(F)(F)F)c(Cl)c1	ZINC000921860229	654333920	/nfs/dbraw/zinc/33/39/20/654333920.db2.gz	LCINSGUKMZJACW-CPCISQLKSA-N	0	1	388.751	2.494	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]([C@H]2CCOC2)C(F)(F)F)c(Cl)c1	ZINC000921860238	654334032	/nfs/dbraw/zinc/33/40/32/654334032.db2.gz	LCINSGUKMZJACW-WRWORJQWSA-N	0	1	388.751	2.494	20	5		GEBDMN
CN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)[C@H]1CN2CCC1CC2	ZINC000932540123	654780741	/nfs/dbraw/zinc/78/07/41/654780741.db2.gz	UWUWYUVRXANTCF-ZDUSSCGKSA-N	0	1	383.246	2.106	20	5		GEBDMN
Cn1cc(CN[C@@](C)(CO)Cc2ccc(Br)cc2)c([N+](=O)[O-])n1	ZINC000933438847	654813338	/nfs/dbraw/zinc/81/33/38/654813338.db2.gz	GLRLPRQKSVDXPH-OAHLLOKOSA-N	0	1	383.246	2.174	20	5		GEBDMN
CN1CCO[C@@H]2CN(c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn3)C[C@H]21	ZINC001164669920	719469414	/nfs/dbraw/zinc/46/94/14/719469414.db2.gz	VXZSLQPCXNKCCF-HZPDHXFCSA-N	0	1	375.816	2.224	20	5		GEBDMN
COC(=O)c1cnc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c([N+](=O)[O-])c1	ZINC001164723582	720360785	/nfs/dbraw/zinc/36/07/85/720360785.db2.gz	IAACNQMAYGTLCE-JKSUJKDBSA-N	0	1	383.408	2.025	20	5		GEBDMN
COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)n1	ZINC001164729497	720483730	/nfs/dbraw/zinc/48/37/30/720483730.db2.gz	RFCALSNDDOCCBN-HOTGVXAUSA-N	0	1	383.408	2.025	20	5		GEBDMN
O=[N+]([O-])c1ccc2nc(N3CCc4ncc(CN5CCCC5)n4CC3)cnc2c1	ZINC001164732703	720553594	/nfs/dbraw/zinc/55/35/94/720553594.db2.gz	FBYIDUQUYIKCTD-UHFFFAOYSA-N	0	1	393.451	2.393	20	5		GEBDMN
COc1nc(C)c([N+](=O)[O-])c(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)n1	ZINC001164860617	720961946	/nfs/dbraw/zinc/96/19/46/720961946.db2.gz	QMLLZODZJMOHCV-ZDUSSCGKSA-N	0	1	389.460	2.320	20	5		GEBDMN
CC(C)N(C)Cc1cnc2n1CCN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])[C@H]2C	ZINC001164856127	720966291	/nfs/dbraw/zinc/96/62/91/720966291.db2.gz	AOPDFMOMMRXWAT-LBPRGKRZSA-N	0	1	394.863	2.500	20	5		GEBDMN
Cc1cc(C)c([N+](=O)[O-])c(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1	ZINC001164867625	721099623	/nfs/dbraw/zinc/09/96/23/721099623.db2.gz	YURFMKSALSZBDJ-ZWKOTPCHSA-N	0	1	383.452	2.481	20	5		GEBDMN
CN(C)C(=O)CN1CCC2(CCCN2c2cnc3ccc([N+](=O)[O-])cc3n2)CC1	ZINC001165008453	721731634	/nfs/dbraw/zinc/73/16/34/721731634.db2.gz	OMUAFDDMTWGALE-UHFFFAOYSA-N	0	1	398.467	2.061	20	5		GEBDMN
NC(=O)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000152137032	531533354	/nfs/dbraw/zinc/53/33/54/531533354.db2.gz	XJISZUXNFUAFQR-SCZZXKLOSA-N	0	1	396.252	2.224	20	5		GEBDMN
Cc1ccc(S(=O)(=O)Nc2ccccc2SCC(N)=O)cc1[N+](=O)[O-]	ZINC000017320175	531573423	/nfs/dbraw/zinc/57/34/23/531573423.db2.gz	HPBGYEUHEMSZND-UHFFFAOYSA-N	0	1	381.435	2.281	20	5		GEBDMN
NC(=O)C1(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCCCC1	ZINC000154947627	531644042	/nfs/dbraw/zinc/64/40/42/531644042.db2.gz	YPUJHWHMNQFZHI-UHFFFAOYSA-N	0	1	396.252	2.368	20	5		GEBDMN
Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)NC1CCN(C)CC1	ZINC000189376803	532351999	/nfs/dbraw/zinc/35/19/99/532351999.db2.gz	KFTOXHGIALGMSK-UHFFFAOYSA-N	0	1	392.275	2.038	20	5		GEBDMN
O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@@H](O)[C@H](O)C3)o2)c(Br)c1	ZINC000278325889	532374388	/nfs/dbraw/zinc/37/43/88/532374388.db2.gz	GPVFOVODQBMNOD-ZIAGYGMSSA-N	0	1	383.198	2.155	20	5		GEBDMN
O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H](c2nc[nH]n2)C1	ZINC000425068296	532363838	/nfs/dbraw/zinc/36/38/38/532363838.db2.gz	SWNYPNLDHIVFNT-SNVBAGLBSA-N	0	1	380.202	2.034	20	5		GEBDMN
CN(C)CCNS(=O)(=O)c1ccc(NCc2ccsc2)c([N+](=O)[O-])c1	ZINC000193945554	532439817	/nfs/dbraw/zinc/43/98/17/532439817.db2.gz	XHLGANDMIXBVMF-UHFFFAOYSA-N	0	1	384.483	2.108	20	5		GEBDMN
COC(=O)[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)c1ccsc1	ZINC000468973407	532483642	/nfs/dbraw/zinc/48/36/42/532483642.db2.gz	NIIFKHXCWTXUHY-AWEZNQCLSA-N	0	1	384.435	2.466	20	5		GEBDMN
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1SCC(N)=O	ZINC000430076979	532489518	/nfs/dbraw/zinc/48/95/18/532489518.db2.gz	NYOITGMHEUIAOW-UHFFFAOYSA-N	0	1	381.435	2.281	20	5		GEBDMN
CCOC(=O)c1csc(CS(=O)(=O)Cc2cc(O)ccc2[N+](=O)[O-])n1	ZINC000593205432	532474503	/nfs/dbraw/zinc/47/45/03/532474503.db2.gz	HLTCCDCHZCDWQF-UHFFFAOYSA-N	0	1	386.407	2.049	20	5		GEBDMN
CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)c1	ZINC000471114295	532542345	/nfs/dbraw/zinc/54/23/45/532542345.db2.gz	UVCYHEBBBPYGQX-UHFFFAOYSA-N	0	1	384.435	2.498	20	5		GEBDMN
O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1	ZINC000594768997	532525271	/nfs/dbraw/zinc/52/52/71/532525271.db2.gz	ABWRQBURHNQFGA-LBPRGKRZSA-N	0	1	382.829	2.200	20	5		GEBDMN
COC[C@H](CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])OC	ZINC000594796407	532530909	/nfs/dbraw/zinc/53/09/09/532530909.db2.gz	YULVUCUYDSLDAK-VIFPVBQESA-N	0	1	387.241	2.231	20	5		GEBDMN
CS(=O)(=O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl	ZINC000471571619	532552471	/nfs/dbraw/zinc/55/24/71/532552471.db2.gz	TYVBCRQONHILOB-UHFFFAOYSA-N	0	1	390.826	2.453	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCc2cnc3n2CCCC3)c1	ZINC000375715136	532577274	/nfs/dbraw/zinc/57/72/74/532577274.db2.gz	BDDAWTONMXHNAK-UHFFFAOYSA-N	0	1	388.808	2.399	20	5		GEBDMN
CN(CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])CC(F)F	ZINC000599522208	532664697	/nfs/dbraw/zinc/66/46/97/532664697.db2.gz	RPAINUKBXWIEEA-UHFFFAOYSA-N	0	1	392.211	2.377	20	5		GEBDMN
O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@H](O)CS(=O)(=O)c1cccs1	ZINC000567366777	532651762	/nfs/dbraw/zinc/65/17/62/532651762.db2.gz	JXBWQRHCGPRPJP-FZMZJTMJSA-N	0	1	382.463	2.068	20	5		GEBDMN
O=C(N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1n[nH]cc1[N+](=O)[O-]	ZINC000478491140	532658500	/nfs/dbraw/zinc/65/85/00/532658500.db2.gz	NXBGULABTPTIRK-VIFPVBQESA-N	0	1	378.694	2.454	20	5		GEBDMN
CS[C@H](CO)[C@@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000537042526	532702642	/nfs/dbraw/zinc/70/26/42/532702642.db2.gz	SVAMKYBMVQHSFO-LHLIQPBNSA-N	0	1	389.282	2.292	20	5		GEBDMN
O=[N+]([O-])c1ccc(CNCCNS(=O)(=O)c2ccc(F)cc2Cl)cc1	ZINC000509403733	532768367	/nfs/dbraw/zinc/76/83/67/532768367.db2.gz	OEUKNMNGVRHVDS-UHFFFAOYSA-N	0	1	387.820	2.455	20	5		GEBDMN
CC(C)OC(=O)C[C@H](NC(=O)[C@H]1C[C@@H]1c1nc[nH]n1)c1ccccc1[N+](=O)[O-]	ZINC000359898270	206268413	/nfs/dbraw/zinc/26/84/13/206268413.db2.gz	MUFBBFLWAYFZKA-IHRRRGAJSA-N	0	1	387.396	2.016	20	5		GEBDMN
CCOCc1nc([C@H](C)NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])no1	ZINC000289465640	532855864	/nfs/dbraw/zinc/85/58/64/532855864.db2.gz	GYDPQPLWGOICOH-QMMMGPOBSA-N	0	1	390.805	2.207	20	5		GEBDMN
CCOCc1nc([C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])no1	ZINC000289465639	532855915	/nfs/dbraw/zinc/85/59/15/532855915.db2.gz	GYDPQPLWGOICOH-MRVPVSSYSA-N	0	1	390.805	2.207	20	5		GEBDMN
Cc1nnc2n1CCC[C@@H]2NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000367230013	532923870	/nfs/dbraw/zinc/92/38/70/532923870.db2.gz	HJLRYVFIAKTHGG-JTQLQIEISA-N	0	1	389.796	2.101	20	5		GEBDMN
Cc1cccc(NC[C@H]2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)C2)n1	ZINC000737400735	598671250	/nfs/dbraw/zinc/67/12/50/598671250.db2.gz	YHRAFKITEDXTPW-CYBMUJFWSA-N	0	1	380.412	2.417	20	5		GEBDMN
COc1ccc(-c2n[nH]c(CNc3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)n2)cc1	ZINC000737056661	598757475	/nfs/dbraw/zinc/75/74/75/598757475.db2.gz	MPUXWZMAHZMEOD-UHFFFAOYSA-N	0	1	393.367	2.181	20	5		GEBDMN
O=C([O-])CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CCCO1	ZINC000739728482	600538778	/nfs/dbraw/zinc/53/87/78/600538778.db2.gz	WMYNCZPTCBMETH-AWEZNQCLSA-N	0	1	376.369	2.101	20	5		GEBDMN
O=C([O-])CC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CCCO1	ZINC000739728482	600538780	/nfs/dbraw/zinc/53/87/80/600538780.db2.gz	WMYNCZPTCBMETH-AWEZNQCLSA-N	0	1	376.369	2.101	20	5		GEBDMN
O=C([O-])[C@H]1CCC[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1	ZINC000739284962	601031611	/nfs/dbraw/zinc/03/16/11/601031611.db2.gz	ZTWMAFBOXXMSFB-LBPRGKRZSA-N	0	1	390.421	2.453	20	5		GEBDMN
O=C([O-])[C@H]1CCC[N@@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1	ZINC000739284962	601031615	/nfs/dbraw/zinc/03/16/15/601031615.db2.gz	ZTWMAFBOXXMSFB-LBPRGKRZSA-N	0	1	390.421	2.453	20	5		GEBDMN
C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CC[C@H](C(=O)[O-])C1	ZINC000817743813	601379152	/nfs/dbraw/zinc/37/91/52/601379152.db2.gz	IHOZJCOLHFCCIC-PWSUYJOCSA-N	0	1	390.421	2.452	20	5		GEBDMN
C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CC[C@H](C(=O)[O-])C1	ZINC000817743813	601379154	/nfs/dbraw/zinc/37/91/54/601379154.db2.gz	IHOZJCOLHFCCIC-PWSUYJOCSA-N	0	1	390.421	2.452	20	5		GEBDMN
Cc1cccc(NCCNc2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])[nH+]1	ZINC000832971424	601445214	/nfs/dbraw/zinc/44/52/14/601445214.db2.gz	ZCSRBKUFYJMGCE-GFCCVEGCSA-N	0	1	387.396	2.025	20	5		GEBDMN
C[C@H]1C[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C[C@@H]1C(=O)[O-]	ZINC000828441331	601503101	/nfs/dbraw/zinc/50/31/01/601503101.db2.gz	PJZUMVSWTKXHOW-GWCFXTLKSA-N	0	1	390.421	2.309	20	5		GEBDMN
C[C@H]1C[N@@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C[C@@H]1C(=O)[O-]	ZINC000828441331	601503102	/nfs/dbraw/zinc/50/31/02/601503102.db2.gz	PJZUMVSWTKXHOW-GWCFXTLKSA-N	0	1	390.421	2.309	20	5		GEBDMN
C[C@@H]1C[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C[C@H]1C(=O)[O-]	ZINC000828441334	601503143	/nfs/dbraw/zinc/50/31/43/601503143.db2.gz	PJZUMVSWTKXHOW-ZWNOBZJWSA-N	0	1	390.421	2.309	20	5		GEBDMN
C[C@@H]1C[N@@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C[C@H]1C(=O)[O-]	ZINC000828441334	601503144	/nfs/dbraw/zinc/50/31/44/601503144.db2.gz	PJZUMVSWTKXHOW-ZWNOBZJWSA-N	0	1	390.421	2.309	20	5		GEBDMN
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](CN(C)C(=O)[O-])C1	ZINC000739872774	601850567	/nfs/dbraw/zinc/85/05/67/601850567.db2.gz	SMBNCNUQYMVIDI-CYBMUJFWSA-N	0	1	394.428	2.254	20	5		GEBDMN
O=C([O-])N1CCC[C@@H]1[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000740516583	601928194	/nfs/dbraw/zinc/92/81/94/601928194.db2.gz	LWVRVURPNSNPPS-CGTJXYLNSA-N	0	1	393.440	2.331	20	5		GEBDMN
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](N(C)C(=O)[O-])C1	ZINC000739873548	601973241	/nfs/dbraw/zinc/97/32/41/601973241.db2.gz	ZEIOTZBEMCYFCA-ZDUSSCGKSA-N	0	1	380.401	2.006	20	5		GEBDMN
Cc1ccc(C)c(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)c1C	ZINC000826285047	607575570	/nfs/dbraw/zinc/57/55/70/607575570.db2.gz	OFLGGWVMLRBOJD-UHFFFAOYSA-N	0	1	389.393	2.468	20	5		GEBDMN
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1	ZINC000739872049	602829946	/nfs/dbraw/zinc/82/99/46/602829946.db2.gz	OTWVXKWHWBNJCL-TXEJJXNPSA-N	0	1	380.401	2.005	20	5		GEBDMN
C[C@@H](NC(=O)[O-])[C@H]1CCCC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21	ZINC000739010543	602991426	/nfs/dbraw/zinc/99/14/26/602991426.db2.gz	OHKRRNMCWYGXHZ-TZMCWYRMSA-N	0	1	392.412	2.403	20	5		GEBDMN
O=C([O-])NC[C@H]1CCCC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21	ZINC000740623090	602992477	/nfs/dbraw/zinc/99/24/77/602992477.db2.gz	LKPNFHLWTRKJLO-CYBMUJFWSA-N	0	1	378.385	2.015	20	5		GEBDMN
O=C([O-])N1CCC([N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C2CC2)CC1	ZINC000740509082	603049730	/nfs/dbraw/zinc/04/97/30/603049730.db2.gz	YVDMJDYJMBFPNT-UHFFFAOYSA-N	0	1	386.412	2.418	20	5		GEBDMN
CCN([C@H]1CCCC[C@H]1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000825394382	607604726	/nfs/dbraw/zinc/60/47/26/607604726.db2.gz	BIYHHXSJEISXJY-NEPJUHHUSA-N	0	1	394.457	2.364	20	5		GEBDMN
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1CN(C)C(=O)[O-]	ZINC000829516527	603582100	/nfs/dbraw/zinc/58/21/00/603582100.db2.gz	UKMSIFIIMUKXFH-ZDUSSCGKSA-N	0	1	380.401	2.006	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1-c1nn[nH]n1	ZINC000826500261	607649962	/nfs/dbraw/zinc/64/99/62/607649962.db2.gz	QIPLCNDRRHYVGJ-SDDRHHMPSA-N	0	1	392.441	2.022	20	5		GEBDMN
C[C@@H]1CC(C)(C)CC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000824877579	607662262	/nfs/dbraw/zinc/66/22/62/607662262.db2.gz	YRZYQHGBZHLRKI-MNOVXSKESA-N	0	1	394.457	2.268	20	5		GEBDMN
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000830138751	603971361	/nfs/dbraw/zinc/97/13/61/603971361.db2.gz	ZVWDKQFURBHYOK-HIFRSBDPSA-N	0	1	376.413	2.449	20	5		GEBDMN
C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])CC[N@H+]1C	ZINC000833601930	605021283	/nfs/dbraw/zinc/02/12/83/605021283.db2.gz	XQYLULYPERJDCA-VXGBXAGGSA-N	0	1	381.454	2.374	20	5		GEBDMN
COC(=O)c1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(C(=O)[O-])c1	ZINC000833713454	605201815	/nfs/dbraw/zinc/20/18/15/605201815.db2.gz	YDRNYKXKTNKCLO-UHFFFAOYSA-N	0	1	399.403	2.402	20	5		GEBDMN
O=C([O-])N[C@@H]1CCC[C@@H]2C[N@@H+](Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C[C@H]21	ZINC000834177855	605322552	/nfs/dbraw/zinc/32/25/52/605322552.db2.gz	DADROQIORCNRIX-RBSFLKMASA-N	0	1	386.412	2.179	20	5		GEBDMN
O=C([O-])N1CCC[C@@H]1[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1	ZINC000834106219	605351211	/nfs/dbraw/zinc/35/12/11/605351211.db2.gz	IUORPALIBKENHD-HRCADAONSA-N	0	1	393.440	2.189	20	5		GEBDMN
O=C([O-])N[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]21	ZINC000834184408	605443916	/nfs/dbraw/zinc/44/39/16/605443916.db2.gz	GXFGIVVSZKCRLS-VJUNAUMWSA-N	0	1	388.424	2.068	20	5		GEBDMN
C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC2(C1)CCN(C(=O)[O-])CC2	ZINC000833789339	605898895	/nfs/dbraw/zinc/89/88/95/605898895.db2.gz	IOFNVESBAQUHOQ-ZDUSSCGKSA-N	0	1	376.413	2.388	20	5		GEBDMN
C[NH+](C)CCCOc1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1	ZINC000821584534	606707054	/nfs/dbraw/zinc/70/70/54/606707054.db2.gz	IGGRNKQTUGLCER-UHFFFAOYSA-N	0	1	398.427	2.113	20	5		GEBDMN
C[NH+](C)CCCOc1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1	ZINC000821584534	606707055	/nfs/dbraw/zinc/70/70/55/606707055.db2.gz	IGGRNKQTUGLCER-UHFFFAOYSA-N	0	1	398.427	2.113	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])c(N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)c1	ZINC000822270911	606722042	/nfs/dbraw/zinc/72/20/42/606722042.db2.gz	CMSKLTCMZZDOIX-UHFFFAOYSA-N	0	1	396.411	2.275	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H]2C2CCCC2)c1-c1nn[nH]n1	ZINC000823646883	606733782	/nfs/dbraw/zinc/73/37/82/606733782.db2.gz	CCDCCJDYDLGVFT-LBPRGKRZSA-N	0	1	392.441	2.118	20	5		GEBDMN
O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl	ZINC000823640268	607123294	/nfs/dbraw/zinc/12/32/94/607123294.db2.gz	ZPZUDPHQKBVZCR-UHFFFAOYSA-N	0	1	398.763	2.368	20	5		GEBDMN
C[C@H](c1ccccc1)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000820570518	607153229	/nfs/dbraw/zinc/15/32/29/607153229.db2.gz	LLTCCJVKKJAZKQ-LLVKDONJSA-N	0	1	388.409	2.157	20	5		GEBDMN
CCc1nnsc1C(=O)Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl	ZINC000825771860	608163113	/nfs/dbraw/zinc/16/31/13/608163113.db2.gz	UPPQBFXSIMNMJR-UHFFFAOYSA-N	0	1	380.777	2.095	20	5		GEBDMN
O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CCC[C@H](c2nc(C3CC3)n[nH]2)C1	ZINC000826497265	608234344	/nfs/dbraw/zinc/23/43/44/608234344.db2.gz	ADHCGCQKGWUZAL-LBPRGKRZSA-N	0	1	381.400	2.154	20	5		GEBDMN
C[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(-c2nn[nH]n2)cc1	ZINC000824554056	608463668	/nfs/dbraw/zinc/46/36/68/608463668.db2.gz	MCRPHWWPJACICD-GFCCVEGCSA-N	0	1	393.407	2.015	20	5		GEBDMN
Cc1ccc([C@@H](C)NCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-]	ZINC000826283383	608554267	/nfs/dbraw/zinc/55/42/67/608554267.db2.gz	PNHVBKKOBXNFEI-GFCCVEGCSA-N	0	1	381.396	2.373	20	5		GEBDMN
C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCN1C	ZINC000447028584	649994673	/nfs/dbraw/zinc/99/46/73/649994673.db2.gz	OLTQDFHWIJXZGN-ZJUUUORDSA-N	0	1	381.376	2.375	20	5		GEBDMN
C[C@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCN1C	ZINC000447028581	649994795	/nfs/dbraw/zinc/99/47/95/649994795.db2.gz	OLTQDFHWIJXZGN-UWVGGRQHSA-N	0	1	381.376	2.375	20	5		GEBDMN
CCO[C@@H]1COC[C@H]1NCc1cc(I)cc([N+](=O)[O-])c1	ZINC000449721501	650047683	/nfs/dbraw/zinc/04/76/83/650047683.db2.gz	JYIDVBRBORVXIE-CHWSQXEVSA-N	0	1	392.193	2.093	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1nnc(C2CC2)[nH]1	ZINC000451681785	650132918	/nfs/dbraw/zinc/13/29/18/650132918.db2.gz	YHGARZYPUBYBRS-UHFFFAOYSA-N	0	1	392.224	2.376	20	5		GEBDMN
CO[C@@H]1COCC[C@H]1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000451774373	650141160	/nfs/dbraw/zinc/14/11/60/650141160.db2.gz	NDBUXPGDAKBJIY-QPUJVOFHSA-N	0	1	399.252	2.231	20	5		GEBDMN
CCCCc1nnc(NC(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])s1	ZINC000454938425	650284193	/nfs/dbraw/zinc/28/41/93/650284193.db2.gz	FMLIZKMCGZIFTB-UHFFFAOYSA-N	0	1	384.439	2.445	20	5		GEBDMN
CNS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1	ZINC000461458778	650454358	/nfs/dbraw/zinc/45/43/58/650454358.db2.gz	VCEVWZQRPUBRGH-UHFFFAOYSA-N	0	1	385.785	2.114	20	5		GEBDMN
CCc1nc(CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])no1	ZINC000462265347	650473209	/nfs/dbraw/zinc/47/32/09/650473209.db2.gz	ALCIOHGWDGGXNU-UHFFFAOYSA-N	0	1	395.224	2.368	20	5		GEBDMN
C[C@@H](CN1CCCC1=O)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000462541267	650483645	/nfs/dbraw/zinc/48/36/45/650483645.db2.gz	AKJCVUOLVMCRTQ-QMMMGPOBSA-N	0	1	396.252	2.191	20	5		GEBDMN
C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCN1C	ZINC000462484182	650481699	/nfs/dbraw/zinc/48/16/99/650481699.db2.gz	JJXCNZVYKXWGFU-MWLCHTKSSA-N	0	1	392.275	2.118	20	5		GEBDMN
C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)NC(C)(C)C	ZINC000462526372	650482905	/nfs/dbraw/zinc/48/29/05/650482905.db2.gz	FFGKTJYQTUZJRQ-ZETCQYMHSA-N	0	1	398.268	2.483	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1nncn1C1CC1	ZINC000509726090	650499672	/nfs/dbraw/zinc/49/96/72/650499672.db2.gz	DJBDKKVDXJSDTE-UHFFFAOYSA-N	0	1	392.224	2.307	20	5		GEBDMN
CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1	ZINC000475786900	650538436	/nfs/dbraw/zinc/53/84/36/650538436.db2.gz	FLKVRZASNJXBCF-UHFFFAOYSA-N	0	1	388.398	2.328	20	5		GEBDMN
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccccc1CS(C)(=O)=O	ZINC000060212822	642834503	/nfs/dbraw/zinc/83/45/03/642834503.db2.gz	YUCZIXXIPNACFM-UHFFFAOYSA-N	0	1	384.435	2.249	20	5		GEBDMN
Cn1c(=O)oc2cc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc21	ZINC000102862949	643143648	/nfs/dbraw/zinc/14/36/48/643143648.db2.gz	XYKYFNJLZHCILL-UHFFFAOYSA-N	0	1	383.769	2.494	20	5		GEBDMN
[NH3+]C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000124585773	643687817	/nfs/dbraw/zinc/68/78/17/643687817.db2.gz	FFAGILOFISECEO-MWLCHTKSSA-N	0	1	392.275	2.153	20	5		GEBDMN
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cccc(S(C)(=O)=O)c2)c1	ZINC000544614792	650946437	/nfs/dbraw/zinc/94/64/37/650946437.db2.gz	LSNZGSGRHHBXEK-UHFFFAOYSA-N	0	1	384.435	2.416	20	5		GEBDMN
Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc2ccc(Br)cc2[nH]1	ZINC000544747521	650951714	/nfs/dbraw/zinc/95/17/14/650951714.db2.gz	UKVJOKSLSXGCOX-UHFFFAOYSA-N	0	1	377.158	2.463	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)NCCNCc2sccc2Cl)c1	ZINC000193061925	645236496	/nfs/dbraw/zinc/23/64/96/645236496.db2.gz	WIICNTYGSLOVFK-UHFFFAOYSA-N	0	1	375.859	2.378	20	5		GEBDMN
CN(C1CCN(C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000193708121	645292148	/nfs/dbraw/zinc/29/21/48/645292148.db2.gz	JQWQZQMOMOQPSR-UHFFFAOYSA-N	0	1	392.275	2.072	20	5		GEBDMN
CCN1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1	ZINC000269485251	646039076	/nfs/dbraw/zinc/03/90/76/646039076.db2.gz	QJFHJJMJDOKPBG-UHFFFAOYSA-N	0	1	392.275	2.120	20	5		GEBDMN
COc1cc(CN[C@@H](C)CC[S@](C)=O)c([N+](=O)[O-])cc1OCC(F)F	ZINC000272430297	646272061	/nfs/dbraw/zinc/27/20/61/646272061.db2.gz	NHOATPOTOLNCRF-FORDYWAESA-N	0	1	380.413	2.494	20	5		GEBDMN
Cc1[nH]nc(C(=O)N2CCN(c3cccc(Br)c3)CC2)c1[N+](=O)[O-]	ZINC000285648401	646861454	/nfs/dbraw/zinc/86/14/54/646861454.db2.gz	GSXKWWCCFXIINA-UHFFFAOYSA-N	0	1	394.229	2.351	20	5		GEBDMN
O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC(c2nc[nH]n2)CC1	ZINC000364745795	647640329	/nfs/dbraw/zinc/64/03/29/647640329.db2.gz	HLYAXQCLRSJMTL-UHFFFAOYSA-N	0	1	380.202	2.495	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCC[C@H](c3nc[nH]n3)C2)cc1Cl	ZINC000377858172	647870071	/nfs/dbraw/zinc/87/00/71/647870071.db2.gz	WKPXPPWGHLQRCJ-QMMMGPOBSA-N	0	1	389.796	2.074	20	5		GEBDMN
C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)N1CCCC1	ZINC000548370039	651078084	/nfs/dbraw/zinc/07/80/84/651078084.db2.gz	KVEPHQQWEWUXMR-SNVBAGLBSA-N	0	1	381.376	2.376	20	5		GEBDMN
NS(=O)(=O)c1ccc(NCc2nc3ccc(Cl)cc3[nH]2)c([N+](=O)[O-])c1	ZINC000609496812	651621103	/nfs/dbraw/zinc/62/11/03/651621103.db2.gz	RYQQMMZSPQIAKV-UHFFFAOYSA-N	0	1	381.801	2.384	20	5		GEBDMN
COCCN1CCC[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1	ZINC000610572494	651671350	/nfs/dbraw/zinc/67/13/50/651671350.db2.gz	OTCWKACWCMLGNE-LBPRGKRZSA-N	0	1	386.246	2.198	20	5		GEBDMN
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nn(C)cc1Br	ZINC000570843831	651795458	/nfs/dbraw/zinc/79/54/58/651795458.db2.gz	UQNNGMQPUHHTGW-UHFFFAOYSA-N	0	1	389.231	2.454	20	5		GEBDMN
C[C@@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Br)cn1	ZINC000575672796	652073330	/nfs/dbraw/zinc/07/33/30/652073330.db2.gz	CLVIDLZZYVYASC-MRVPVSSYSA-N	0	1	387.215	2.187	20	5		GEBDMN
CCn1cc(S(=O)(=O)Nc2ccc(C)nc2Br)c([N+](=O)[O-])n1	ZINC000751595795	652360949	/nfs/dbraw/zinc/36/09/49/652360949.db2.gz	DXVASWIDNQODJE-UHFFFAOYSA-N	0	1	390.219	2.078	20	5		GEBDMN
CC(C)(COc1ncccc1Br)NC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000581258140	652408197	/nfs/dbraw/zinc/40/81/97/652408197.db2.gz	TWVBWTBROUYPNT-UHFFFAOYSA-N	0	1	384.190	2.063	20	5		GEBDMN
COCC[C@H](COC)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000583232972	652478264	/nfs/dbraw/zinc/47/82/64/652478264.db2.gz	MJEVQMYFZWNJDQ-SECBINFHSA-N	0	1	387.241	2.231	20	5		GEBDMN
NC(=O)CCSc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000583278885	652480020	/nfs/dbraw/zinc/48/00/20/652480020.db2.gz	RIFRBHUSJNSOGP-UHFFFAOYSA-N	0	1	381.435	2.363	20	5		GEBDMN
O=[N+]([O-])c1cnccc1NS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1	ZINC000589657430	652570445	/nfs/dbraw/zinc/57/04/45/652570445.db2.gz	CLSVLDHACLZJKI-UHFFFAOYSA-N	0	1	377.300	2.252	20	5		GEBDMN
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCC1CC[NH2+]CC1	ZINC000593732063	652634016	/nfs/dbraw/zinc/63/40/16/652634016.db2.gz	IFCOCRABVCZLGC-UHFFFAOYSA-N	0	1	392.275	2.025	20	5		GEBDMN
O=C(NCc1n[nH]c([C@@H]2CCCO2)n1)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000594385329	652646643	/nfs/dbraw/zinc/64/66/43/652646643.db2.gz	KFEVZJXPILMJBR-NSHDSACASA-N	0	1	396.201	2.257	20	5		GEBDMN
O=[N+]([O-])c1ccc(CNCCNS(=O)(=O)Cc2ccccc2)cc1Cl	ZINC000761521635	652650568	/nfs/dbraw/zinc/65/05/68/652650568.db2.gz	JMGOKVNZOIBGKE-UHFFFAOYSA-N	0	1	383.857	2.457	20	5		GEBDMN
CN(C)[C@@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccccc1Cl	ZINC000594743537	652679807	/nfs/dbraw/zinc/67/98/07/652679807.db2.gz	GSUJVQDMLHOAHD-AWEZNQCLSA-N	0	1	384.845	2.224	20	5		GEBDMN
Cn1nccc1CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000762554110	652702834	/nfs/dbraw/zinc/70/28/34/652702834.db2.gz	BCFAOKBQDRXYIQ-UHFFFAOYSA-N	0	1	379.225	2.156	20	5		GEBDMN
COC(=O)C1(CS(=O)(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CCCC1	ZINC000596022368	652748294	/nfs/dbraw/zinc/74/82/94/652748294.db2.gz	VSEHHXNVVJCBEC-UHFFFAOYSA-N	0	1	391.833	2.306	20	5		GEBDMN
O=C(NCCCCN1CCOCC1)c1c(Br)cccc1[N+](=O)[O-]	ZINC000599076099	652847265	/nfs/dbraw/zinc/84/72/65/652847265.db2.gz	BYSIIKJSIFLATF-UHFFFAOYSA-N	0	1	386.246	2.200	20	5		GEBDMN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)n1	ZINC000599297646	652860427	/nfs/dbraw/zinc/86/04/27/652860427.db2.gz	PCTUUCSWQADVJR-GXSJLCMTSA-N	0	1	391.236	2.470	20	5		GEBDMN
COCCN1CCC[C@@H]1CNC(=O)c1c(Br)cccc1[N+](=O)[O-]	ZINC000599338104	652862123	/nfs/dbraw/zinc/86/21/23/652862123.db2.gz	BKAMUSWZRKYRAY-LLVKDONJSA-N	0	1	386.246	2.198	20	5		GEBDMN
CS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)c1	ZINC000768865720	653133708	/nfs/dbraw/zinc/13/37/08/653133708.db2.gz	LSDQKYRDOXOVDW-UHFFFAOYSA-N	0	1	390.826	2.453	20	5		GEBDMN
CN(C)C[C@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000771959609	653134813	/nfs/dbraw/zinc/13/48/13/653134813.db2.gz	ISEODXHQKIQHOS-LLVKDONJSA-N	0	1	392.275	2.072	20	5		GEBDMN
O=C1NCCCN1c1cccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1	ZINC000768890120	653136254	/nfs/dbraw/zinc/13/62/54/653136254.db2.gz	VIOYVHGCNPVBDU-UHFFFAOYSA-N	0	1	382.423	2.377	20	5		GEBDMN
Cc1cc(NS(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)ccc1[N+](=O)[O-]	ZINC000769673188	653170516	/nfs/dbraw/zinc/17/05/16/653170516.db2.gz	NZYNVQCUYVOXNY-UHFFFAOYSA-N	0	1	388.398	2.247	20	5		GEBDMN
CS(=O)(=O)CC1(CNCc2cc(Br)c([N+](=O)[O-])s2)CC1	ZINC000602570491	653191699	/nfs/dbraw/zinc/19/16/99/653191699.db2.gz	AHAPGROBPDZIBE-UHFFFAOYSA-N	0	1	383.289	2.333	20	5		GEBDMN
CCC[C@](C)(NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(=O)OC	ZINC000809808163	653296765	/nfs/dbraw/zinc/29/67/65/653296765.db2.gz	ZRBIASZXUJPRRH-ZDUSSCGKSA-N	0	1	382.797	2.397	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[N@H+](CC3CC3)C2)cc1Cl	ZINC000809815580	653298554	/nfs/dbraw/zinc/29/85/54/653298554.db2.gz	JRNCMWYETZPSGP-SNVBAGLBSA-N	0	1	377.825	2.150	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[N@@H+](CC3CC3)C2)cc1Cl	ZINC000809815580	653298564	/nfs/dbraw/zinc/29/85/64/653298564.db2.gz	JRNCMWYETZPSGP-SNVBAGLBSA-N	0	1	377.825	2.150	20	5		GEBDMN
COC(=O)[C@@H](NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(C)(C)C	ZINC000809817766	653300180	/nfs/dbraw/zinc/30/01/80/653300180.db2.gz	NSUBGGFWPCVXNC-LLVKDONJSA-N	0	1	382.797	2.253	20	5		GEBDMN
CNS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1	ZINC000812362305	653425301	/nfs/dbraw/zinc/42/53/01/653425301.db2.gz	VFGHONYPJWKLNW-UHFFFAOYSA-N	0	1	385.785	2.114	20	5		GEBDMN
CCC[C@@H](C)C(=O)NCCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000814284723	653626840	/nfs/dbraw/zinc/62/68/40/653626840.db2.gz	AKWZJBKJQZEIIX-SECBINFHSA-N	0	1	395.840	2.218	20	5		GEBDMN
C[C@H]1CCCN1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000780868106	653634372	/nfs/dbraw/zinc/63/43/72/653634372.db2.gz	QKJSILASMDWXPT-JTQLQIEISA-N	0	1	392.275	2.120	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000814990252	653642136	/nfs/dbraw/zinc/64/21/36/653642136.db2.gz	JIMCIGVIEUNOFG-RYUDHWBXSA-N	0	1	377.825	2.292	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000814990252	653642137	/nfs/dbraw/zinc/64/21/37/653642137.db2.gz	JIMCIGVIEUNOFG-RYUDHWBXSA-N	0	1	377.825	2.292	20	5		GEBDMN
Cn1cc2c(n1)CCC[C@@H]2NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815041984	653647606	/nfs/dbraw/zinc/64/76/06/653647606.db2.gz	GVOBDWNXJBYUBF-LBPRGKRZSA-N	0	1	388.808	2.477	20	5		GEBDMN
CCOC(=O)C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(Br)c1	ZINC000839722803	653661227	/nfs/dbraw/zinc/66/12/27/653661227.db2.gz	CAJHEAQVOCBEPS-FRRDWIJNSA-N	0	1	385.214	2.225	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(S(=O)(=O)N[C@H]2CCCC(F)(F)[C@@H]2O)cc1Cl	ZINC000841566180	653735236	/nfs/dbraw/zinc/73/52/36/653735236.db2.gz	DUPYFANOOYNVNN-GZMMTYOYSA-N	0	1	388.751	2.214	20	5		GEBDMN
O=[N+]([O-])c1cccc([C@H](O)CNCCS(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000818973883	653739568	/nfs/dbraw/zinc/73/95/68/653739568.db2.gz	XTUAEEYUPLKYIT-MRXNPFEDSA-N	0	1	384.841	2.345	20	5		GEBDMN
CC(C)[NH2+]CCC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000842708149	653763909	/nfs/dbraw/zinc/76/39/09/653763909.db2.gz	OLQBJCDQSAVQEZ-UHFFFAOYSA-N	0	1	380.264	2.024	20	5		GEBDMN
O=C(CCNC(=O)C(F)(F)F)COc1cccc(Br)c1[N+](=O)[O-]	ZINC000882364087	653778153	/nfs/dbraw/zinc/77/81/53/653778153.db2.gz	NDTHQAYGDNOSQD-UHFFFAOYSA-N	0	1	399.119	2.374	20	5		GEBDMN
O=[N+]([O-])c1ccc(O)cc1Cn1nc(Br)nc1Br	ZINC000821078553	653790043	/nfs/dbraw/zinc/79/00/43/653790043.db2.gz	UTXURYYXAAEGDE-UHFFFAOYSA-N	0	1	377.980	2.465	20	5		GEBDMN
C[C@H](NCc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000896006277	653860756	/nfs/dbraw/zinc/86/07/56/653860756.db2.gz	JJZHSZPZQMCDOV-ONGXEEELSA-N	0	1	377.260	2.270	20	5		GEBDMN
CCCN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1	ZINC000823499974	653870167	/nfs/dbraw/zinc/87/01/67/653870167.db2.gz	QTRKEICPHJQKHM-NSHDSACASA-N	0	1	385.262	2.496	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl	ZINC000884955719	653897721	/nfs/dbraw/zinc/89/77/21/653897721.db2.gz	VPVWGOZBYBNZLB-NXEZZACHSA-N	0	1	377.825	2.292	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl	ZINC000884955719	653897723	/nfs/dbraw/zinc/89/77/23/653897723.db2.gz	VPVWGOZBYBNZLB-NXEZZACHSA-N	0	1	377.825	2.292	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl	ZINC000884955719	653897725	/nfs/dbraw/zinc/89/77/25/653897725.db2.gz	VPVWGOZBYBNZLB-NXEZZACHSA-N	0	1	377.825	2.292	20	5		GEBDMN
CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000867347988	653919500	/nfs/dbraw/zinc/91/95/00/653919500.db2.gz	BUVWPXHHQZKTDW-UHFFFAOYSA-N	0	1	379.841	2.492	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@H](CO)Cc2ccccc2)c1	ZINC000795850486	653970149	/nfs/dbraw/zinc/97/01/49/653970149.db2.gz	KSWMPZWONWLCDQ-NSHDSACASA-N	0	1	388.804	2.269	20	5		GEBDMN
CC(C)(NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)N1CCCC1	ZINC000795961766	653980052	/nfs/dbraw/zinc/98/00/52/653980052.db2.gz	FPCZFLGUHVUKJB-UHFFFAOYSA-N	0	1	393.824	2.067	20	5		GEBDMN
CC[C@H](C)[C@H](NCc1cc(I)cc([N+](=O)[O-])c1)C(N)=O	ZINC000887055967	654016553	/nfs/dbraw/zinc/01/65/53/654016553.db2.gz	UMOFCDWCUSDFGO-UFBFGSQYSA-N	0	1	391.209	2.189	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC[C@H](O)Cc2ccccc2)c1	ZINC000798227942	654055745	/nfs/dbraw/zinc/05/57/45/654055745.db2.gz	BCPUSMPBDRPTCA-GFCCVEGCSA-N	0	1	388.804	2.269	20	5		GEBDMN
Cc1ccn(C)c(=O)c1NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000798248288	654056696	/nfs/dbraw/zinc/05/66/96/654056696.db2.gz	VGYVOFAQLLSNRV-UHFFFAOYSA-N	0	1	375.765	2.195	20	5		GEBDMN
CC[C@@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@@H](O)C(F)F	ZINC000831904062	654217074	/nfs/dbraw/zinc/21/70/74/654217074.db2.gz	ZIKMJIXMSMATBR-GMSGAONNSA-N	0	1	376.740	2.070	20	5		GEBDMN
O=[N+]([O-])c1ccc([C@H](O)CNCCS(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000921206852	654239876	/nfs/dbraw/zinc/23/98/76/654239876.db2.gz	OIRDUFFQPYIFNU-MRXNPFEDSA-N	0	1	384.841	2.345	20	5		GEBDMN
C[C@H](OC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])c1nnc[nH]1	ZINC000853224891	654287099	/nfs/dbraw/zinc/28/70/99/654287099.db2.gz	ZUTPOMPFANNWHH-QMMMGPOBSA-N	0	1	384.190	2.216	20	5		GEBDMN
Cc1ccc(C)c(S(=O)(=O)N[C@@H]([C@H]2CCOC2)C(F)(F)F)c1[N+](=O)[O-]	ZINC000921856086	654332182	/nfs/dbraw/zinc/33/21/82/654332182.db2.gz	JSPKJAAFYMNXQQ-GWCFXTLKSA-N	0	1	382.360	2.457	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1	ZINC000905515328	654362346	/nfs/dbraw/zinc/36/23/46/654362346.db2.gz	CVJCLQXEDVFSKN-AAEUAGOBSA-N	0	1	382.360	2.068	20	5		GEBDMN
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCCOC(F)(F)C(F)(F)F	ZINC000872563294	654371329	/nfs/dbraw/zinc/37/13/29/654371329.db2.gz	RLLIWFKOWRZNGY-UHFFFAOYSA-N	0	1	382.238	2.184	20	5		GEBDMN
Cn1ccnc1[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Br)cc1	ZINC000912679565	654763807	/nfs/dbraw/zinc/76/38/07/654763807.db2.gz	YEIKZMXZYAIHOW-JHJVBQTASA-N	0	1	379.214	2.053	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)c1	ZINC001164731033	720404705	/nfs/dbraw/zinc/40/47/05/720404705.db2.gz	YEVBGWBQLPNBGF-HUUCEWRRSA-N	0	1	375.816	2.130	20	5		GEBDMN
CCOC(=O)c1ccnc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)c1[N+](=O)[O-]	ZINC001164732256	720470149	/nfs/dbraw/zinc/47/01/49/720470149.db2.gz	YVNIVLKYWMVVPY-IAGOWNOFSA-N	0	1	397.435	2.415	20	5		GEBDMN
Cn1cc(CN2CC[C@H]3CN(c4cc([N+](=O)[O-])c5cc[nH]c5n4)C[C@H]3C2)cn1	ZINC001164771833	721170604	/nfs/dbraw/zinc/17/06/04/721170604.db2.gz	RCESHAQWMWMFDE-LSDHHAIUSA-N	0	1	381.440	2.163	20	5		GEBDMN
Cc1ccnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164977268	722106541	/nfs/dbraw/zinc/10/65/41/722106541.db2.gz	FNFKRDVONFIISE-ZWKOTPCHSA-N	0	1	383.452	2.421	20	5		GEBDMN
COc1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c([N+](=O)[O-])c1	ZINC001164979786	722112971	/nfs/dbraw/zinc/11/29/71/722112971.db2.gz	PYQMDCWPKFTZPV-QFBILLFUSA-N	0	1	399.451	2.121	20	5		GEBDMN
Cc1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000032590714	531654573	/nfs/dbraw/zinc/65/45/73/531654573.db2.gz	JTFQNWKVISLTTB-UHFFFAOYSA-N	0	1	384.435	2.416	20	5		GEBDMN
CCN1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000162166912	531838046	/nfs/dbraw/zinc/83/80/46/531838046.db2.gz	YKXOXRWRDAWMRD-NSHDSACASA-N	0	1	381.376	2.376	20	5		GEBDMN
CN(Cc1cc(Br)ccc1F)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000173582727	532020642	/nfs/dbraw/zinc/02/06/42/532020642.db2.gz	ULKPPKLJDTVHRT-CYBMUJFWSA-N	0	1	387.209	2.186	20	5		GEBDMN
Cc1c(Br)cc(C(=O)N[C@@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-]	ZINC000122194720	532061559	/nfs/dbraw/zinc/06/15/59/532061559.db2.gz	VGAXHLJOHGHYRB-NSHDSACASA-N	0	1	399.289	2.031	20	5		GEBDMN
CN(CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C1CC1	ZINC000185236081	532337383	/nfs/dbraw/zinc/33/73/83/532337383.db2.gz	LAXVGKDDMVVDHX-UHFFFAOYSA-N	0	1	392.275	2.072	20	5		GEBDMN
CC[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1nc(C(F)(F)F)cs1	ZINC000185923207	532339037	/nfs/dbraw/zinc/33/90/37/532339037.db2.gz	YBSIABRWAWZGFC-VHSXEESVSA-N	0	1	379.364	2.368	20	5		GEBDMN
O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNCc1ccc(Cl)cc1F	ZINC000189347191	532351768	/nfs/dbraw/zinc/35/17/68/532351768.db2.gz	YSIGZKDRKWFFJN-UHFFFAOYSA-N	0	1	387.820	2.455	20	5		GEBDMN
Cn1cc([N+](=O)[O-])c(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)n1	ZINC000426275464	532403538	/nfs/dbraw/zinc/40/35/38/532403538.db2.gz	CIDKSJCYDRHARW-UHFFFAOYSA-N	0	1	378.801	2.676	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCOc2ncccc2Cl)cc1	ZINC000591754520	532421648	/nfs/dbraw/zinc/42/16/48/532421648.db2.gz	RWHJXVYXHHXPTF-UHFFFAOYSA-N	0	1	385.829	2.086	20	5		GEBDMN
CCc1nc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)n[nH]1	ZINC000297165101	532570384	/nfs/dbraw/zinc/57/03/84/532570384.db2.gz	SDGATQAQCRRCEM-UHFFFAOYSA-N	0	1	380.213	2.061	20	5		GEBDMN
Cc1c(Br)cc(S(=O)(=O)N2CCN[C@H](C)[C@H]2C)cc1[N+](=O)[O-]	ZINC000262751706	532599729	/nfs/dbraw/zinc/59/97/29/532599729.db2.gz	GPAWNHNACJWAMX-NXEZZACHSA-N	0	1	392.275	2.037	20	5		GEBDMN
CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599236594	532654658	/nfs/dbraw/zinc/65/46/58/532654658.db2.gz	DCECQHXTJUWMPN-NOZJJQNGSA-N	0	1	388.833	2.036	20	5		GEBDMN
CC[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1	ZINC000599246874	532656019	/nfs/dbraw/zinc/65/60/19/532656019.db2.gz	NSARVZFERPSULY-LURJTMIESA-N	0	1	399.376	2.233	20	5		GEBDMN
COCCN1CCC[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1	ZINC000599370759	532659178	/nfs/dbraw/zinc/65/91/78/532659178.db2.gz	JULFKFZDIXFTCS-LLVKDONJSA-N	0	1	386.246	2.198	20	5		GEBDMN
O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC(c2nc[nH]n2)CC1	ZINC000378095648	532680626	/nfs/dbraw/zinc/68/06/26/532680626.db2.gz	ZIISNLYEHRIGMX-UHFFFAOYSA-N	0	1	380.202	2.495	20	5		GEBDMN
Cc1c(CS(C)(=O)=O)cccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000609733699	532717830	/nfs/dbraw/zinc/71/78/30/532717830.db2.gz	OBFJFOBZDGXXTL-UHFFFAOYSA-N	0	1	384.435	2.249	20	5		GEBDMN
C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CCN1C	ZINC000286191004	532732804	/nfs/dbraw/zinc/73/28/04/532732804.db2.gz	ZVJUDKTZEZJPBJ-VHSXEESVSA-N	0	1	379.841	2.491	20	5		GEBDMN
Cc1sc(S(=O)(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)cc1[N+](=O)[O-]	ZINC000446956855	532756567	/nfs/dbraw/zinc/75/65/67/532756567.db2.gz	IZJZTCRCCBQSHD-SNVBAGLBSA-N	0	1	384.361	2.280	20	5		GEBDMN
Cc1nnc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)s1	ZINC000542798886	532780266	/nfs/dbraw/zinc/78/02/66/532780266.db2.gz	CIUHXFNQTQJJES-UHFFFAOYSA-N	0	1	382.345	2.252	20	5		GEBDMN
C[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)CN1C	ZINC000330592920	532821599	/nfs/dbraw/zinc/82/15/99/532821599.db2.gz	PENKNEFQDAMLDH-QWRGUYRKSA-N	0	1	385.262	2.320	20	5		GEBDMN
CS[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C[C@H]1N(C)C	ZINC000330598278	532821894	/nfs/dbraw/zinc/82/18/94/532821894.db2.gz	WPNZSXAWIZBTSD-ZIAGYGMSSA-N	0	1	393.918	2.223	20	5		GEBDMN
O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000365292205	532909399	/nfs/dbraw/zinc/90/93/99/532909399.db2.gz	KMSBMCSPIHQPEB-VIFPVBQESA-N	0	1	384.179	2.160	20	5		GEBDMN
Cc1cn2c(n1)CC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C2	ZINC000367144478	532923073	/nfs/dbraw/zinc/92/30/73/532923073.db2.gz	OEVOFMSVHYCEBP-SECBINFHSA-N	0	1	388.808	2.186	20	5		GEBDMN
CCN1CC[C@H]2OCCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])[C@H]2C1	ZINC000293871764	532932592	/nfs/dbraw/zinc/93/25/92/532932592.db2.gz	KGEYQLXFWITMPK-LSDHHAIUSA-N	0	1	398.257	2.293	20	5		GEBDMN
O=C(N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@H]1CC1[N+](=O)[O-]	ZINC000370471668	532943642	/nfs/dbraw/zinc/94/36/42/532943642.db2.gz	LPVNXMXIHWGTDD-YWVKMMECSA-N	0	1	378.738	2.114	20	5		GEBDMN
O=[N+]([O-])c1ccc(NCc2nc(-c3ccc(F)cc3)n[nH]2)c(-c2nn[nH]n2)c1	ZINC000738371631	598311126	/nfs/dbraw/zinc/31/11/26/598311126.db2.gz	VGYUMDHODMFQHO-UHFFFAOYSA-N	0	1	381.331	2.311	20	5		GEBDMN
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1	ZINC000737283244	598593701	/nfs/dbraw/zinc/59/37/01/598593701.db2.gz	CIJUJHSYXKQXKY-UHFFFAOYSA-N	0	1	378.345	2.023	20	5		GEBDMN
C[C@@H](C[N@@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(=O)[O-]	ZINC000736570635	600364205	/nfs/dbraw/zinc/36/42/05/600364205.db2.gz	DNUAXKZCNRCCAC-JTQLQIEISA-N	0	1	378.410	2.309	20	5		GEBDMN
O=C([O-])CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCCO1	ZINC000739719547	600513805	/nfs/dbraw/zinc/51/38/05/600513805.db2.gz	XSVLZHKFFPHMCV-LBPRGKRZSA-N	0	1	385.804	2.142	20	5		GEBDMN
O=C([O-])CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCCO1	ZINC000739719547	600513807	/nfs/dbraw/zinc/51/38/07/600513807.db2.gz	XSVLZHKFFPHMCV-LBPRGKRZSA-N	0	1	385.804	2.142	20	5		GEBDMN
Cc1c(NC(=O)CC[N@@H+](CCC(=O)[O-])C2CCOCC2)cccc1[N+](=O)[O-]	ZINC000832856896	601049341	/nfs/dbraw/zinc/04/93/41/601049341.db2.gz	BKFUEMPFBUXZRR-UHFFFAOYSA-N	0	1	379.413	2.188	20	5		GEBDMN
O=C([O-])CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1	ZINC000833232246	601049908	/nfs/dbraw/zinc/04/99/08/601049908.db2.gz	ZLRUZQNDTIHAQJ-UHFFFAOYSA-N	0	1	385.804	2.142	20	5		GEBDMN
O=C([O-])N1CCC[C@@H]1[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000740516584	601927973	/nfs/dbraw/zinc/92/79/73/601927973.db2.gz	LWVRVURPNSNPPS-KBAYOESNSA-N	0	1	393.440	2.331	20	5		GEBDMN
CN(C[C@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1)C(=O)[O-]	ZINC000739637417	602704705	/nfs/dbraw/zinc/70/47/05/602704705.db2.gz	OXEBZCOINWTBCO-CJNGLKHVSA-N	0	1	376.413	2.022	20	5		GEBDMN
CN(C[C@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1)C(=O)[O-]	ZINC000739637417	602704706	/nfs/dbraw/zinc/70/47/06/602704706.db2.gz	OXEBZCOINWTBCO-CJNGLKHVSA-N	0	1	376.413	2.022	20	5		GEBDMN
CCCCCC[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000825272140	607581801	/nfs/dbraw/zinc/58/18/01/607581801.db2.gz	WJGRSMOJWDTNBT-NSHDSACASA-N	0	1	382.446	2.412	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c1-c1nn[nH]n1	ZINC000826500132	607648339	/nfs/dbraw/zinc/64/83/39/607648339.db2.gz	MHAQJFDVVLROPP-VXGBXAGGSA-N	0	1	392.441	2.022	20	5		GEBDMN
COc1ccc(NC(=O)C[N@@H+](C)C2CCC(NC(=O)[O-])CC2)c([N+](=O)[O-])c1	ZINC000829453104	603836870	/nfs/dbraw/zinc/83/68/70/603836870.db2.gz	ALLNSIDODBAEQX-UHFFFAOYSA-N	0	1	380.401	2.053	20	5		GEBDMN
CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1	ZINC000833504307	604764167	/nfs/dbraw/zinc/76/41/67/604764167.db2.gz	BRZJZIHVHALXGL-INIZCTEOSA-N	0	1	376.413	2.305	20	5		GEBDMN
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](CCC(=O)[O-])C[C@@H]1C	ZINC000833545298	605163592	/nfs/dbraw/zinc/16/35/92/605163592.db2.gz	GFSNAKDFSZAGAT-STQMWFEESA-N	0	1	381.454	2.083	20	5		GEBDMN
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@@H]1C	ZINC000833545298	605163593	/nfs/dbraw/zinc/16/35/93/605163593.db2.gz	GFSNAKDFSZAGAT-STQMWFEESA-N	0	1	381.454	2.083	20	5		GEBDMN
CC(C)[NH+]1CCN(C2CCN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)CC1	ZINC000592977375	605193395	/nfs/dbraw/zinc/19/33/95/605193395.db2.gz	ZHPDDZMIBBGXIE-UHFFFAOYSA-N	0	1	376.457	2.288	20	5		GEBDMN
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](CCC(=O)[O-])[C@H](C)C1	ZINC000833545213	605250353	/nfs/dbraw/zinc/25/03/53/605250353.db2.gz	FOXQMQVARJFOTC-CHWSQXEVSA-N	0	1	381.454	2.083	20	5		GEBDMN
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](CCC(=O)[O-])[C@H](C)C1	ZINC000833545213	605250355	/nfs/dbraw/zinc/25/03/55/605250355.db2.gz	FOXQMQVARJFOTC-CHWSQXEVSA-N	0	1	381.454	2.083	20	5		GEBDMN
CC(C)[N@@H+](C)CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC1	ZINC000833495904	605394081	/nfs/dbraw/zinc/39/40/81/605394081.db2.gz	FJTNGNAMOZJUKQ-UHFFFAOYSA-N	0	1	399.469	2.034	20	5		GEBDMN
O=C([O-])N[C@@H]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@H]21	ZINC000834189001	605438274	/nfs/dbraw/zinc/43/82/74/605438274.db2.gz	RKVMFGCVQUDNNI-DAXOMENPSA-N	0	1	376.413	2.292	20	5		GEBDMN
O=C([O-])N[C@@H]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@H]21	ZINC000834189000	605438293	/nfs/dbraw/zinc/43/82/93/605438293.db2.gz	RKVMFGCVQUDNNI-APHBMKBZSA-N	0	1	376.413	2.292	20	5		GEBDMN
COCC[C@@]1(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCOC1	ZINC000445081931	649957800	/nfs/dbraw/zinc/95/78/00/649957800.db2.gz	VQJVTNZXHFUVJS-CYBMUJFWSA-N	0	1	399.252	2.376	20	5		GEBDMN
O=C([O-])N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1	ZINC000834031424	605520047	/nfs/dbraw/zinc/52/00/47/605520047.db2.gz	ZDSJRIOXELCLJR-NVXWUHKLSA-N	0	1	390.440	2.065	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](C(=O)NCCNC(=O)[O-])C1	ZINC000833907162	605547748	/nfs/dbraw/zinc/54/77/48/605547748.db2.gz	CEHLPJGWOOJROQ-KGLIPLIRSA-N	0	1	378.429	2.060	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(C[NH+]2CCCCCC2)CC1	ZINC000823620902	606698395	/nfs/dbraw/zinc/69/83/95/606698395.db2.gz	SEUSHWNHIAGFQZ-UHFFFAOYSA-N	0	1	386.460	2.262	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(C[NH+]2CCCCCC2)CC1	ZINC000823620902	606698397	/nfs/dbraw/zinc/69/83/97/606698397.db2.gz	SEUSHWNHIAGFQZ-UHFFFAOYSA-N	0	1	386.460	2.262	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H]1CC[N@H+](CCc2ccccc2)C1	ZINC000823620425	606709264	/nfs/dbraw/zinc/70/92/64/606709264.db2.gz	KYWXGAZLZOJLBR-HNNXBMFYSA-N	0	1	394.439	2.146	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1	ZINC000823620425	606709266	/nfs/dbraw/zinc/70/92/66/606709266.db2.gz	KYWXGAZLZOJLBR-HNNXBMFYSA-N	0	1	394.439	2.146	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H]1CC[N@H+](CCc2ccccc2)C1	ZINC000823620425	606709267	/nfs/dbraw/zinc/70/92/67/606709267.db2.gz	KYWXGAZLZOJLBR-HNNXBMFYSA-N	0	1	394.439	2.146	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1	ZINC000823620425	606709268	/nfs/dbraw/zinc/70/92/68/606709268.db2.gz	KYWXGAZLZOJLBR-HNNXBMFYSA-N	0	1	394.439	2.146	20	5		GEBDMN
Cc1ccc([C@@H](C)NCC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-]	ZINC000826283326	608554129	/nfs/dbraw/zinc/55/41/29/608554129.db2.gz	ORPAQHAJBRVQBP-GFCCVEGCSA-N	0	1	381.396	2.373	20	5		GEBDMN
C[C@H](Cn1cccn1)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000462432628	650479124	/nfs/dbraw/zinc/47/91/24/650479124.db2.gz	OCKFTIOTHKEMIJ-MRVPVSSYSA-N	0	1	379.225	2.465	20	5		GEBDMN
O=C1CCCN1CCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000462466726	650480764	/nfs/dbraw/zinc/48/07/64/650480764.db2.gz	RGLJYLDUTHYHKA-UHFFFAOYSA-N	0	1	396.252	2.192	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(S(C)(=O)=O)cc1C	ZINC000510123565	650506968	/nfs/dbraw/zinc/50/69/68/650506968.db2.gz	FDHVDRUHLWEOHB-UHFFFAOYSA-N	0	1	384.435	2.416	20	5		GEBDMN
COC[C@@](C)(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F	ZINC000479139532	650597287	/nfs/dbraw/zinc/59/72/87/650597287.db2.gz	IUJOBGSMUAKYMA-SNVBAGLBSA-N	0	1	376.740	2.494	20	5		GEBDMN
COc1c(F)cc(S(=O)(=O)Nc2cccc([S@](C)=O)c2)cc1[N+](=O)[O-]	ZINC000488233755	650742904	/nfs/dbraw/zinc/74/29/04/650742904.db2.gz	PRTVFPPCSFRQRI-DEOSSOPVSA-N	0	1	388.398	2.281	20	5		GEBDMN
C[C@@H]1CCN(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1	ZINC000533328760	650760003	/nfs/dbraw/zinc/76/00/03/650760003.db2.gz	WHVKROZSDOFUEV-SNVBAGLBSA-N	0	1	381.376	2.234	20	5		GEBDMN
Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1	ZINC000537655305	650819905	/nfs/dbraw/zinc/81/99/05/650819905.db2.gz	RHKGFZSXZPWQPH-UHFFFAOYSA-N	0	1	388.398	2.247	20	5		GEBDMN
C[NH+](C)CCOc1ccccc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1	ZINC000119670447	643564691	/nfs/dbraw/zinc/56/46/91/643564691.db2.gz	JAEALDFPVGJSJP-UHFFFAOYSA-N	0	1	385.467	2.075	20	5		GEBDMN
[NH3+]C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000124586549	643688065	/nfs/dbraw/zinc/68/80/65/643688065.db2.gz	FFAGILOFISECEO-ONGXEEELSA-N	0	1	392.275	2.153	20	5		GEBDMN
CC(C)C(=O)NCCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000158715413	644156066	/nfs/dbraw/zinc/15/60/66/644156066.db2.gz	WHNXGYXQZFQXJY-UHFFFAOYSA-N	0	1	398.268	2.342	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)s1	ZINC000179704752	644468779	/nfs/dbraw/zinc/46/87/79/644468779.db2.gz	OXQJNRDKPDNNRZ-JTQLQIEISA-N	0	1	383.455	2.220	20	5		GEBDMN
O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNCc1cc(Cl)cs1	ZINC000193111014	645243092	/nfs/dbraw/zinc/24/30/92/645243092.db2.gz	WFWGEXKNZJZLCW-UHFFFAOYSA-N	0	1	375.859	2.378	20	5		GEBDMN
CCN1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000193723168	645293591	/nfs/dbraw/zinc/29/35/91/645293591.db2.gz	RJHHKPBWPIOYKL-JTQLQIEISA-N	0	1	392.275	2.120	20	5		GEBDMN
CCN1CCC[C@H]1CNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000194189735	645315448	/nfs/dbraw/zinc/31/54/48/645315448.db2.gz	WWIJCQQXZJVDOE-NSHDSACASA-N	0	1	392.275	2.120	20	5		GEBDMN
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC1CCN(CC(F)(F)F)CC1	ZINC000195019737	645354616	/nfs/dbraw/zinc/35/46/16/645354616.db2.gz	KEZJVTDMUIVDQN-UHFFFAOYSA-N	0	1	385.339	2.039	20	5		GEBDMN
CC(C)C[C@H](C[NH3+])[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000236624278	645414558	/nfs/dbraw/zinc/41/45/58/645414558.db2.gz	IFTFMKDRRFUMEX-SNVBAGLBSA-N	0	1	380.264	2.009	20	5		GEBDMN
COc1cc(CN[C@H](C)CC[S@](C)=O)c([N+](=O)[O-])cc1OCC(F)F	ZINC000272430299	646271906	/nfs/dbraw/zinc/27/19/06/646271906.db2.gz	NHOATPOTOLNCRF-JUTIIYIPSA-N	0	1	380.413	2.494	20	5		GEBDMN
Cn1ncc2c1CCC[C@@H]2NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000281080924	646744317	/nfs/dbraw/zinc/74/43/17/646744317.db2.gz	BUXLQRVFIJUJNG-NSHDSACASA-N	0	1	388.808	2.477	20	5		GEBDMN
CCc1[nH]nc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1Br	ZINC000366055577	647692442	/nfs/dbraw/zinc/69/24/42/647692442.db2.gz	GPFAEHXSMPHDSJ-UHFFFAOYSA-N	0	1	397.233	2.317	20	5		GEBDMN
Cc1cc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])ccc1I	ZINC000410034034	647991665	/nfs/dbraw/zinc/99/16/65/647991665.db2.gz	NPJBTUAUYOPADD-UHFFFAOYSA-N	0	1	386.149	2.161	20	5		GEBDMN
CN(C[C@@H]1CCCN1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000420764830	648453400	/nfs/dbraw/zinc/45/34/00/648453400.db2.gz	KMSPWIMVPWETER-NSHDSACASA-N	0	1	392.275	2.072	20	5		GEBDMN
CN(CCN1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000728591036	651548214	/nfs/dbraw/zinc/54/82/14/651548214.db2.gz	RUCOYOLVIFVQNV-UHFFFAOYSA-N	0	1	392.275	2.074	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCOC[C@H]1CCCO1	ZINC000610264119	651653039	/nfs/dbraw/zinc/65/30/39/651653039.db2.gz	WQXQSHPSMWVBCI-SNVBAGLBSA-N	0	1	399.252	2.376	20	5		GEBDMN
COC1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1	ZINC000610573015	651671466	/nfs/dbraw/zinc/67/14/66/651671466.db2.gz	JMYKMZKEALYXAC-UHFFFAOYSA-N	0	1	386.246	2.198	20	5		GEBDMN
C[C@@H]1CN(C)CCN1Cc1cc(I)cc([N+](=O)[O-])c1	ZINC000568817037	651681464	/nfs/dbraw/zinc/68/14/64/651681464.db2.gz	YVYRODJGEMEKRS-SNVBAGLBSA-N	0	1	375.210	2.335	20	5		GEBDMN
O=[N+]([O-])c1cc(Br)cnc1N1CCC[C@@H](N2CCOCC2)CC1	ZINC000572134600	651875330	/nfs/dbraw/zinc/87/53/30/651875330.db2.gz	CRORLZSUQYSIAX-CYBMUJFWSA-N	0	1	385.262	2.443	20	5		GEBDMN
O=C([O-])C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cccc(Br)c1	ZINC000582127777	652436637	/nfs/dbraw/zinc/43/66/37/652436637.db2.gz	ITRZLRZDFLQSED-UHFFFAOYSA-N	0	1	383.202	2.141	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@@H](O)c1ccccn1	ZINC000758517466	652545174	/nfs/dbraw/zinc/54/51/74/652545174.db2.gz	OQHFPFCKZUDHDN-GFCCVEGCSA-N	0	1	392.220	2.309	20	5		GEBDMN
CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1	ZINC000760335568	652604154	/nfs/dbraw/zinc/60/41/54/652604154.db2.gz	SQSUPCGRKIIIAO-UHFFFAOYSA-N	0	1	388.398	2.328	20	5		GEBDMN
CCc1nc([C@@H](C)Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])n[nH]1	ZINC000762571399	652704068	/nfs/dbraw/zinc/70/40/68/652704068.db2.gz	QFMMJGNHPYDZKV-SSDOTTSWSA-N	0	1	375.357	2.445	20	5		GEBDMN
C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCN1C	ZINC000765195906	652830369	/nfs/dbraw/zinc/83/03/69/652830369.db2.gz	URYPKEKECGIHDJ-ZJUUUORDSA-N	0	1	392.275	2.118	20	5		GEBDMN
CS[C@@H]1CN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C[C@H]1N1CCCC1	ZINC000601396534	653090928	/nfs/dbraw/zinc/09/09/28/653090928.db2.gz	FPPWTVNQZJWZQE-VXGBXAGGSA-N	0	1	391.540	2.165	20	5		GEBDMN
COC(=O)C[C@@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccs1	ZINC000768804239	653127269	/nfs/dbraw/zinc/12/72/69/653127269.db2.gz	RZCSUQKPMHCARX-SECBINFHSA-N	0	1	376.437	2.301	20	5		GEBDMN
CCN1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1I	ZINC000712334384	653323730	/nfs/dbraw/zinc/32/37/30/653323730.db2.gz	IWRPCNHWDILIAK-SNVBAGLBSA-N	0	1	389.193	2.023	20	5		GEBDMN
CC(C)(CCc1noc(CNS(=O)(=O)c2ccc(Cl)s2)n1)[N+](=O)[O-]	ZINC000812816417	653443879	/nfs/dbraw/zinc/44/38/79/653443879.db2.gz	QQTXBPCTPSKMKZ-UHFFFAOYSA-N	0	1	394.862	2.251	20	5		GEBDMN
O=[N+]([O-])c1sc(CNC[C@H]2COC3(CCOCC3)O2)cc1Br	ZINC000877142259	653468367	/nfs/dbraw/zinc/46/83/67/653468367.db2.gz	RKRSNGZLMSTMJE-VIFPVBQESA-N	0	1	393.259	2.431	20	5		GEBDMN
NC(=O)N1CCCc2ccc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)cc21	ZINC000782523545	653663651	/nfs/dbraw/zinc/66/36/51/653663651.db2.gz	SJQOPUHPFKQGPI-UHFFFAOYSA-N	0	1	382.423	2.288	20	5		GEBDMN
Cn1ccc(S(=O)(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)n1	ZINC000840954289	653703906	/nfs/dbraw/zinc/70/39/06/653703906.db2.gz	GPDGIBKRIJDKHG-LLVKDONJSA-N	0	1	382.295	2.049	20	5		GEBDMN
CN(C[C@@H]1CCCN1C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000817149174	653704175	/nfs/dbraw/zinc/70/41/75/653704175.db2.gz	BFHSCEVGTQCOQS-JTQLQIEISA-N	0	1	392.275	2.072	20	5		GEBDMN
COC1([C@@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CCOCC1	ZINC000817154363	653705012	/nfs/dbraw/zinc/70/50/12/653705012.db2.gz	PJVILMATLMMUKN-SECBINFHSA-N	0	1	396.824	2.250	20	5		GEBDMN
Cc1cc(Cl)c(S(=O)(=O)NCc2n[nH]c(C(C)(C)C)n2)cc1[N+](=O)[O-]	ZINC000841539619	653729953	/nfs/dbraw/zinc/72/99/53/653729953.db2.gz	PMHYZRNLJUGQMB-UHFFFAOYSA-N	0	1	387.849	2.451	20	5		GEBDMN
C[N@@H+]1CCC[C@@H](CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1	ZINC000841546000	653730988	/nfs/dbraw/zinc/73/09/88/653730988.db2.gz	BUFCCVUGLARCNV-JTQLQIEISA-N	0	1	379.841	2.398	20	5		GEBDMN
C[N@H+]1CCC[C@@H](CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1	ZINC000841546000	653730990	/nfs/dbraw/zinc/73/09/90/653730990.db2.gz	BUFCCVUGLARCNV-JTQLQIEISA-N	0	1	379.841	2.398	20	5		GEBDMN
CC1=NO[C@H](CNCc2cc(I)cc([N+](=O)[O-])c2)C1	ZINC000895304161	653826739	/nfs/dbraw/zinc/82/67/39/653826739.db2.gz	GUVFJOXZCXCDEB-LBPRGKRZSA-N	0	1	375.166	2.454	20	5		GEBDMN
C[C@H](CN1CCN(C)CC1)NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl	ZINC000896220894	653869623	/nfs/dbraw/zinc/86/96/23/653869623.db2.gz	KIISCDHAWPWTEQ-SECBINFHSA-N	0	1	393.246	2.406	20	5		GEBDMN
COC(=O)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cn1C	ZINC000795332746	653945971	/nfs/dbraw/zinc/94/59/71/653945971.db2.gz	WJXVUQKTJRLQHL-UHFFFAOYSA-N	0	1	391.764	2.313	20	5		GEBDMN
O=C(NC[C@H]1CCN1C1CCOCC1)c1c(Br)cccc1[N+](=O)[O-]	ZINC000885893459	653962574	/nfs/dbraw/zinc/96/25/74/653962574.db2.gz	RHFZRTUJROXZTL-GFCCVEGCSA-N	0	1	398.257	2.340	20	5		GEBDMN
COCCOCCCCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000795809317	653968053	/nfs/dbraw/zinc/96/80/53/653968053.db2.gz	IWDWSLIFIKZQEV-UHFFFAOYSA-N	0	1	384.813	2.109	20	5		GEBDMN
C[C@@H]1C[C@@H](NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)c2ncnn21	ZINC000849424679	654031532	/nfs/dbraw/zinc/03/15/32/654031532.db2.gz	YAVXQQFIQOHBFZ-HTRCEHHLSA-N	0	1	392.224	2.477	20	5		GEBDMN
Cn1ncc(C2CC2)c1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000849460646	654040875	/nfs/dbraw/zinc/04/08/75/654040875.db2.gz	OVPYHDXPKNPHOB-UHFFFAOYSA-N	0	1	388.808	2.477	20	5		GEBDMN
CN(C)c1ncccc1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000798225855	654054978	/nfs/dbraw/zinc/05/49/78/654054978.db2.gz	OTQZRHJKQHNFNU-UHFFFAOYSA-N	0	1	388.808	2.327	20	5		GEBDMN
COC(=O)C1(NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCCC1	ZINC000798225607	654055105	/nfs/dbraw/zinc/05/51/05/654055105.db2.gz	CYFBRQVLGLKIDV-UHFFFAOYSA-N	0	1	380.781	2.151	20	5		GEBDMN
C[C@H]1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CN1C1CC1	ZINC000798226769	654055260	/nfs/dbraw/zinc/05/52/60/654055260.db2.gz	FISTXAIMMOPHJK-IUCAKERBSA-N	0	1	377.825	2.291	20	5		GEBDMN
Cc1cc([N+](=O)[O-])c(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)cc1Cl	ZINC000831121436	654165320	/nfs/dbraw/zinc/16/53/20/654165320.db2.gz	KUDINUOBRBFLLH-UHFFFAOYSA-N	0	1	379.722	2.307	20	5		GEBDMN
CN(C)C[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000851814245	654180520	/nfs/dbraw/zinc/18/05/20/654180520.db2.gz	ZHYHHPBKSVRIKJ-SNVBAGLBSA-N	0	1	379.841	2.492	20	5		GEBDMN
Cc1n[nH]cc1CCCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000831539039	654190808	/nfs/dbraw/zinc/19/08/08/654190808.db2.gz	LSWBQGWEBPAIHH-UHFFFAOYSA-N	0	1	376.797	2.330	20	5		GEBDMN
CCN1CCN(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])C[C@H]1C	ZINC000802862745	654247300	/nfs/dbraw/zinc/24/73/00/654247300.db2.gz	GOASNOYNWXMMGU-GFCCVEGCSA-N	0	1	399.289	2.346	20	5		GEBDMN
C[C@@H]1CN(C)C[C@H](C)N1C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000802878631	654249634	/nfs/dbraw/zinc/24/96/34/654249634.db2.gz	XYOQWKSLKMKRLB-TXEJJXNPSA-N	0	1	399.289	2.345	20	5		GEBDMN
C[C@@H]1[C@H](C)N(C)CCN1C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000802994278	654254901	/nfs/dbraw/zinc/25/49/01/654254901.db2.gz	UHXQSZQALCIVNI-NWDGAFQWSA-N	0	1	399.289	2.345	20	5		GEBDMN
Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]([C@@H]2CCOC2)C(F)(F)F)cc1C	ZINC000921863091	654334944	/nfs/dbraw/zinc/33/49/44/654334944.db2.gz	UOQDDCSOFKLMQS-ZWNOBZJWSA-N	0	1	382.360	2.457	20	5		GEBDMN
O=[N+]([O-])c1cc(Br)ccc1CNC[C@@H](O)COC1CCOCC1	ZINC000905429349	654356750	/nfs/dbraw/zinc/35/67/50/654356750.db2.gz	ZRXLQOLIKSRGIF-CYBMUJFWSA-N	0	1	389.246	2.003	20	5		GEBDMN
CC(C)c1[nH]nc(C(=O)N2CCn3ncc(Br)c3C2)c1[N+](=O)[O-]	ZINC000856011607	654455677	/nfs/dbraw/zinc/45/56/77/654455677.db2.gz	QVHCQCHKFMWYFF-UHFFFAOYSA-N	0	1	383.206	2.056	20	5		GEBDMN
O=C1NC[C@@H](O)CC12CCN(Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])CC2	ZINC000932835507	654792964	/nfs/dbraw/zinc/79/29/64/654792964.db2.gz	MHWGZXVPUHBUMN-LBPRGKRZSA-N	0	1	388.251	2.365	20	5		GEBDMN
CO[C@@H]1CCOC[C@H]1NCc1cc(I)cc([N+](=O)[O-])c1	ZINC000934034479	654834681	/nfs/dbraw/zinc/83/46/81/654834681.db2.gz	LAMVEUCVCZJMKP-CHWSQXEVSA-N	0	1	392.193	2.093	20	5		GEBDMN
O=[N+]([O-])c1cnc(Cl)cc1N1CCc2ncc(CN3CCCC3)n2CC1	ZINC001164732957	720553563	/nfs/dbraw/zinc/55/35/63/720553563.db2.gz	GUHGXTXYVCLBDG-UHFFFAOYSA-N	0	1	376.848	2.498	20	5		GEBDMN
O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCc2ncc(CN3CCCC3)n2CC1	ZINC001164729580	720562118	/nfs/dbraw/zinc/56/21/18/720562118.db2.gz	RBBHFVHWLDFPAE-UHFFFAOYSA-N	0	1	393.451	2.393	20	5		GEBDMN
Cc1ccnc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)c1[N+](=O)[O-]	ZINC001164892255	721393547	/nfs/dbraw/zinc/39/35/47/721393547.db2.gz	SKEVJBARBNKJDW-XLIONFOSSA-N	0	1	389.500	2.064	20	5		GEBDMN
COc1cc2ncnc(N3CCN(CCc4ccccn4)CC3)c2cc1[N+](=O)[O-]	ZINC001165055372	722013026	/nfs/dbraw/zinc/01/30/26/722013026.db2.gz	HAIWGNDCJZQWDZ-UHFFFAOYSA-N	0	1	394.435	2.306	20	5		GEBDMN
Nc1nc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)ccc1[N+](=O)[O-]	ZINC001164962916	722057465	/nfs/dbraw/zinc/05/74/65/722057465.db2.gz	FVRXHFXTYCECFU-UHFFFAOYSA-N	0	1	398.467	2.086	20	5		GEBDMN
CN(Cc1ccc(Br)s1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000174707098	532074814	/nfs/dbraw/zinc/07/48/14/532074814.db2.gz	LIMNIVXCRSQTKX-JTQLQIEISA-N	0	1	375.248	2.108	20	5		GEBDMN
Cc1sc(S(=O)(=O)NC[C@@H](Cc2ccccc2)N(C)C)cc1[N+](=O)[O-]	ZINC000122829684	532083886	/nfs/dbraw/zinc/08/38/86/532083886.db2.gz	NAKKFUVNQOXHRG-CQSZACIVSA-N	0	1	383.495	2.416	20	5		GEBDMN
O=C(CN1CCN2CCCC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Br	ZINC000177764831	532182501	/nfs/dbraw/zinc/18/25/01/532182501.db2.gz	YLAPODWJUZGKAC-CYBMUJFWSA-N	0	1	397.273	2.466	20	5		GEBDMN
C[C@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)nc1	ZINC000181400261	532297819	/nfs/dbraw/zinc/29/78/19/532297819.db2.gz	NTZBXBXFXHFFAB-NSHDSACASA-N	0	1	384.845	2.272	20	5		GEBDMN
C[C@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCN(C)CC1	ZINC000182968037	532319832	/nfs/dbraw/zinc/31/98/32/532319832.db2.gz	MFTQXBFESVJZNQ-GFCCVEGCSA-N	0	1	386.905	2.092	20	5		GEBDMN
CCc1nc(CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])n[nH]1	ZINC000295046249	532399674	/nfs/dbraw/zinc/39/96/74/532399674.db2.gz	XNDFCNRBLYSXGR-UHFFFAOYSA-N	0	1	379.320	2.181	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCCO[C@H]1CCOC1	ZINC000465496742	532417228	/nfs/dbraw/zinc/41/72/28/532417228.db2.gz	VGQKZJIHPUSJIG-JTQLQIEISA-N	0	1	399.252	2.376	20	5		GEBDMN
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccccc1SCC(N)=O	ZINC000430082234	532489354	/nfs/dbraw/zinc/48/93/54/532489354.db2.gz	RREISXODUJXOAY-UHFFFAOYSA-N	0	1	381.435	2.281	20	5		GEBDMN
O=C([C@@H]1C[C@@H]1c1nc[nH]n1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1	ZINC000375867821	532584549	/nfs/dbraw/zinc/58/45/49/532584549.db2.gz	RCNNFQILGAWVMP-VHSXEESVSA-N	0	1	392.213	2.164	20	5		GEBDMN
COCCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C1	ZINC000283997960	532572602	/nfs/dbraw/zinc/57/26/02/532572602.db2.gz	NKJPQPAXEZSWOM-NSHDSACASA-N	0	1	386.246	2.116	20	5		GEBDMN
CN1CC[C@@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)C[C@H]21	ZINC000375710744	532578138	/nfs/dbraw/zinc/57/81/38/532578138.db2.gz	MWAIPPXZVIYTIA-BXKDBHETSA-N	0	1	377.825	2.102	20	5		GEBDMN
CN(CCN(C)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC1	ZINC000472688494	532580629	/nfs/dbraw/zinc/58/06/29/532580629.db2.gz	DWXHLWJIJXIZDW-UHFFFAOYSA-N	0	1	392.275	2.072	20	5		GEBDMN
CCN(C)C(=O)[C@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000474393345	532616963	/nfs/dbraw/zinc/61/69/63/532616963.db2.gz	QHMACUJYUXTPRL-ZETCQYMHSA-N	0	1	384.241	2.047	20	5		GEBDMN
CC(=O)NC1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1	ZINC000285084926	532645511	/nfs/dbraw/zinc/64/55/11/532645511.db2.gz	GEIGGRIGZYVUTR-UHFFFAOYSA-N	0	1	393.824	2.113	20	5		GEBDMN
O=[N+]([O-])c1ccn(CCN(CCO)Cc2cc(Br)cs2)n1	ZINC000494279215	532715778	/nfs/dbraw/zinc/71/57/78/532715778.db2.gz	IEWBPGQZQDCFDF-UHFFFAOYSA-N	0	1	375.248	2.110	20	5		GEBDMN
CN1CCC[C@H](NC(=O)c2cc(I)cc([N+](=O)[O-])c2)C1	ZINC000611223005	532720970	/nfs/dbraw/zinc/72/09/70/532720970.db2.gz	AVSKZMWDPWQISQ-NSHDSACASA-N	0	1	389.193	2.023	20	5		GEBDMN
Cc1sc(S(=O)(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)cc1[N+](=O)[O-]	ZINC000446956854	532755890	/nfs/dbraw/zinc/75/58/90/532755890.db2.gz	IZJZTCRCCBQSHD-JTQLQIEISA-N	0	1	384.361	2.280	20	5		GEBDMN
O=C(Nc1nc(SCCO)n[nH]1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1	ZINC000270842954	532802404	/nfs/dbraw/zinc/80/24/04/532802404.db2.gz	IHQHJEOTWVNSPR-UHFFFAOYSA-N	0	1	377.304	2.068	20	5		GEBDMN
CC(C)NC(=O)[C@@H](C)NCc1cc(I)cc([N+](=O)[O-])c1	ZINC000414538272	532831764	/nfs/dbraw/zinc/83/17/64/532831764.db2.gz	AVUBJIGXBSCECD-SECBINFHSA-N	0	1	391.209	2.202	20	5		GEBDMN
CC(=O)N1CCN(CCNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1	ZINC000290802990	532889638	/nfs/dbraw/zinc/88/96/38/532889638.db2.gz	FIPVVVCMVQPTHD-UHFFFAOYSA-N	0	1	375.256	2.155	20	5		GEBDMN
O=C(CN1CCN([C@@H]2CCSC2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000361946031	532894352	/nfs/dbraw/zinc/89/43/52/532894352.db2.gz	VSJQCSSMDNTZKV-CYBMUJFWSA-N	0	1	384.889	2.310	20	5		GEBDMN
Cc1c(Br)cc(C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)cc1[N+](=O)[O-]	ZINC000367116608	532922756	/nfs/dbraw/zinc/92/27/56/532922756.db2.gz	FMYOVKXMKMSJEZ-SECBINFHSA-N	0	1	395.217	2.199	20	5		GEBDMN
COc1ccc(Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)cc1[N+](=O)[O-]	ZINC000737099349	598719553	/nfs/dbraw/zinc/71/95/53/598719553.db2.gz	LBOGKEIZSGNSEX-UHFFFAOYSA-N	0	1	378.348	2.147	20	5		GEBDMN
C[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(-c2nn[nH]n2)c1	ZINC000820426358	599392920	/nfs/dbraw/zinc/39/29/20/599392920.db2.gz	ITNMYWIJAAFANO-LLVKDONJSA-N	0	1	382.380	2.492	20	5		GEBDMN
C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000736774055	599762706	/nfs/dbraw/zinc/76/27/06/599762706.db2.gz	FZVDQIAORIKBIS-BETUJISGSA-N	0	1	378.429	2.084	20	5		GEBDMN
Cc1cc(N2CCC[C@H](NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)C2)nc(C)[nH+]1	ZINC000738229944	599973589	/nfs/dbraw/zinc/97/35/89/599973589.db2.gz	IXLZZPHZZXAKAK-HNNXBMFYSA-N	0	1	399.407	2.099	20	5		GEBDMN
O=C([O-])C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccccc1	ZINC000739784368	600318308	/nfs/dbraw/zinc/31/83/08/600318308.db2.gz	BKTSWXHGPVPUCY-UHFFFAOYSA-N	0	1	385.376	2.480	20	5		GEBDMN
O=C([O-])CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CCCO1	ZINC000739728484	600538859	/nfs/dbraw/zinc/53/88/59/600538859.db2.gz	WMYNCZPTCBMETH-CQSZACIVSA-N	0	1	376.369	2.101	20	5		GEBDMN
O=C([O-])CC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CCCO1	ZINC000739728484	600538862	/nfs/dbraw/zinc/53/88/62/600538862.db2.gz	WMYNCZPTCBMETH-CQSZACIVSA-N	0	1	376.369	2.101	20	5		GEBDMN
CC[N@H+]1CCCC[C@H]1CNc1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000829771399	601444540	/nfs/dbraw/zinc/44/45/40/601444540.db2.gz	VYMXEQJPVJJCST-OCCSQVGLSA-N	0	1	378.429	2.084	20	5		GEBDMN
Cc1cccc(C)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000826297141	607571451	/nfs/dbraw/zinc/57/14/51/607571451.db2.gz	WXBAKAXKAVILLK-UHFFFAOYSA-N	0	1	375.366	2.159	20	5		GEBDMN
CCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCN(C(=O)[O-])C1	ZINC000739351828	602546164	/nfs/dbraw/zinc/54/61/64/602546164.db2.gz	AABZBVPVGCPUHZ-CYBMUJFWSA-N	0	1	380.401	2.006	20	5		GEBDMN
CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCN(C(=O)[O-])C1	ZINC000739351828	602546165	/nfs/dbraw/zinc/54/61/65/602546165.db2.gz	AABZBVPVGCPUHZ-CYBMUJFWSA-N	0	1	380.401	2.006	20	5		GEBDMN
CCCC1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1	ZINC000825254491	607595591	/nfs/dbraw/zinc/59/55/91/607595591.db2.gz	SHFWUWHRAYLKDM-UHFFFAOYSA-N	0	1	394.457	2.412	20	5		GEBDMN
CC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C1CCCCC1	ZINC000825146670	607603182	/nfs/dbraw/zinc/60/31/82/607603182.db2.gz	FDXMNGCAAVWYRJ-LBPRGKRZSA-N	0	1	394.457	2.412	20	5		GEBDMN
CC(C)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000824214803	607606161	/nfs/dbraw/zinc/60/61/61/607606161.db2.gz	IFOPAOZGPKMGRK-NEPJUHHUSA-N	0	1	394.457	2.268	20	5		GEBDMN
CC(C)(NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)c1cccs1	ZINC000824167188	607617738	/nfs/dbraw/zinc/61/77/38/607617738.db2.gz	OEJHHDYURMITPZ-UHFFFAOYSA-N	0	1	394.438	2.050	20	5		GEBDMN
NC(=O)c1ccc(C[NH+]2CCC(N(CC3CC3)C(=O)[O-])CC2)c([N+](=O)[O-])c1	ZINC000831223129	604230515	/nfs/dbraw/zinc/23/05/15/604230515.db2.gz	WXBNHVUJRNEAMZ-UHFFFAOYSA-N	0	1	376.413	2.048	20	5		GEBDMN
Cc1ccc2c(n1)c(=O)c(-c1nn[nH]n1)cn2Cc1cccc([N+](=O)[O-])c1C	ZINC000826295079	607716648	/nfs/dbraw/zinc/71/66/48/607716648.db2.gz	QCCSDCYQVQUCJB-UHFFFAOYSA-N	0	1	377.364	2.150	20	5		GEBDMN
O=C([O-])N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000834024587	605515267	/nfs/dbraw/zinc/51/52/67/605515267.db2.gz	FCJLDABXQLQTOG-WBVHZDCISA-N	0	1	390.440	2.065	20	5		GEBDMN
O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1	ZINC000834031425	605520366	/nfs/dbraw/zinc/52/03/66/605520366.db2.gz	ZDSJRIOXELCLJR-RDJZCZTQSA-N	0	1	390.440	2.065	20	5		GEBDMN
C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1	ZINC000820571103	606700529	/nfs/dbraw/zinc/70/05/29/606700529.db2.gz	VWPYRKLWPUEQCG-OCCSQVGLSA-N	0	1	380.412	2.417	20	5		GEBDMN
C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1	ZINC000820571103	606700530	/nfs/dbraw/zinc/70/05/30/606700530.db2.gz	VWPYRKLWPUEQCG-OCCSQVGLSA-N	0	1	380.412	2.417	20	5		GEBDMN
C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1	ZINC000820571103	606700531	/nfs/dbraw/zinc/70/05/31/606700531.db2.gz	VWPYRKLWPUEQCG-OCCSQVGLSA-N	0	1	380.412	2.417	20	5		GEBDMN
C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1	ZINC000820571103	606700532	/nfs/dbraw/zinc/70/05/32/606700532.db2.gz	VWPYRKLWPUEQCG-OCCSQVGLSA-N	0	1	380.412	2.417	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CCC[N@@H+](CC2CCCCC2)CC1	ZINC000823620511	606701819	/nfs/dbraw/zinc/70/18/19/606701819.db2.gz	MLJNPYCZHSLYJH-UHFFFAOYSA-N	0	1	386.460	2.262	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[N@H+](CC2CCCCC2)CC1	ZINC000823620511	606701820	/nfs/dbraw/zinc/70/18/20/606701820.db2.gz	MLJNPYCZHSLYJH-UHFFFAOYSA-N	0	1	386.460	2.262	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[N@@H+](CC2CCCCC2)CC1	ZINC000823620511	606701822	/nfs/dbraw/zinc/70/18/22/606701822.db2.gz	MLJNPYCZHSLYJH-UHFFFAOYSA-N	0	1	386.460	2.262	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[N@H+](CC2CCCCC2)CC1	ZINC000823620511	606701825	/nfs/dbraw/zinc/70/18/25/606701825.db2.gz	MLJNPYCZHSLYJH-UHFFFAOYSA-N	0	1	386.460	2.262	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[N@@H+](CC2CCCCC2)CC1	ZINC000823620511	606701826	/nfs/dbraw/zinc/70/18/26/606701826.db2.gz	MLJNPYCZHSLYJH-UHFFFAOYSA-N	0	1	386.460	2.262	20	5		GEBDMN
C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1	ZINC000820705549	606710339	/nfs/dbraw/zinc/71/03/39/606710339.db2.gz	UZXGBYGEPSHVIU-ZIAGYGMSSA-N	0	1	386.460	2.261	20	5		GEBDMN
C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1	ZINC000820705549	606710340	/nfs/dbraw/zinc/71/03/40/606710340.db2.gz	UZXGBYGEPSHVIU-ZIAGYGMSSA-N	0	1	386.460	2.261	20	5		GEBDMN
C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1	ZINC000820705549	606710341	/nfs/dbraw/zinc/71/03/41/606710341.db2.gz	UZXGBYGEPSHVIU-ZIAGYGMSSA-N	0	1	386.460	2.261	20	5		GEBDMN
C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1	ZINC000820705549	606710342	/nfs/dbraw/zinc/71/03/42/606710342.db2.gz	UZXGBYGEPSHVIU-ZIAGYGMSSA-N	0	1	386.460	2.261	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1-c1nn[nH]n1	ZINC000823648297	607155061	/nfs/dbraw/zinc/15/50/61/607155061.db2.gz	UCEQRBJFXQUAAT-UHFFFAOYSA-N	0	1	380.773	2.229	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)N2CC3(CC3)c3ccccc32)c1-c1nn[nH]n1	ZINC000823646937	607156191	/nfs/dbraw/zinc/15/61/91/607156191.db2.gz	DMDZVCQKSKRRBW-UHFFFAOYSA-N	0	1	398.404	2.015	20	5		GEBDMN
O=C(/C=C\C1CCOCC1)Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl	ZINC000826400136	608161527	/nfs/dbraw/zinc/16/15/27/608161527.db2.gz	QFQCVRHMVSGZOC-UPHRSURJSA-N	0	1	378.776	2.350	20	5		GEBDMN
CC[C@@H](NCC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1	ZINC000825143964	608552148	/nfs/dbraw/zinc/55/21/48/608552148.db2.gz	XCEQLDYBAWUFAG-QGZVFWFLSA-N	0	1	395.423	2.132	20	5		GEBDMN
COCCN(Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(O)ccc1[N+](=O)[O-]	ZINC000826159153	608567248	/nfs/dbraw/zinc/56/72/48/608567248.db2.gz	SXGJVSNTSVZPQJ-UHFFFAOYSA-N	0	1	384.396	2.129	20	5		GEBDMN
Cc1cccc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1-c1nn[nH]n1	ZINC000826299740	609161291	/nfs/dbraw/zinc/16/12/91/609161291.db2.gz	SOJRFDCCRXLCHN-UHFFFAOYSA-N	0	1	388.409	2.068	20	5		GEBDMN
Cc1ccc(NS(C)(=O)=O)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000460842128	650446838	/nfs/dbraw/zinc/44/68/38/650446838.db2.gz	WZDXLIMBMRFTCR-UHFFFAOYSA-N	0	1	385.423	2.076	20	5		GEBDMN
C[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)NC(C)(C)C	ZINC000462526371	650482843	/nfs/dbraw/zinc/48/28/43/650482843.db2.gz	FFGKTJYQTUZJRQ-SSDOTTSWSA-N	0	1	398.268	2.483	20	5		GEBDMN
Cc1cc(S(C)(=O)=O)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000510110994	650506804	/nfs/dbraw/zinc/50/68/04/650506804.db2.gz	ZWVWGVVSLFOQLA-UHFFFAOYSA-N	0	1	384.435	2.416	20	5		GEBDMN
CC(C)[C@@](C)(NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(N)=O	ZINC000511256993	650530986	/nfs/dbraw/zinc/53/09/86/650530986.db2.gz	IJKGXDMHPIRDGT-GFCCVEGCSA-N	0	1	384.241	2.080	20	5		GEBDMN
CCS(=O)(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1	ZINC000014097466	642376171	/nfs/dbraw/zinc/37/61/71/642376171.db2.gz	GORDYGBPWBYEFF-UHFFFAOYSA-N	0	1	384.435	2.498	20	5		GEBDMN
Cc1noc([C@@H](C)NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])n1	ZINC000488826463	650751209	/nfs/dbraw/zinc/75/12/09/650751209.db2.gz	MZVOPJFJERGDMJ-ZCFIWIBFSA-N	0	1	391.203	2.088	20	5		GEBDMN
CCCc1cc(C(=O)N(C)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[nH]n1	ZINC000051281322	642693411	/nfs/dbraw/zinc/69/34/11/642693411.db2.gz	PDNCNMJEVQYDDT-UHFFFAOYSA-N	0	1	386.817	2.385	20	5		GEBDMN
CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000119243673	643544939	/nfs/dbraw/zinc/54/49/39/643544939.db2.gz	LOUISKZJOLALQS-UHFFFAOYSA-N	0	1	392.275	2.072	20	5		GEBDMN
O=[N+]([O-])c1cc(S(=O)(=O)NCCCN2CCc3ccccc3C2)cs1	ZINC000119486008	643554094	/nfs/dbraw/zinc/55/40/94/643554094.db2.gz	IIPDULHMBQURQO-UHFFFAOYSA-N	0	1	381.479	2.383	20	5		GEBDMN
C[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)[N@@H+](C)C1CC1	ZINC000173109043	644352655	/nfs/dbraw/zinc/35/26/55/644352655.db2.gz	XGNQTWHUTNPAMK-SECBINFHSA-N	0	1	392.275	2.118	20	5		GEBDMN
C[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)N(C)C1CC1	ZINC000173109043	644352658	/nfs/dbraw/zinc/35/26/58/644352658.db2.gz	XGNQTWHUTNPAMK-SECBINFHSA-N	0	1	392.275	2.118	20	5		GEBDMN
CC[C@](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])(C(N)=O)C(C)C	ZINC000543776981	650923943	/nfs/dbraw/zinc/92/39/43/650923943.db2.gz	PRHYYBGFEFOEKW-CYBMUJFWSA-N	0	1	398.268	2.470	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2NCCc3ccccc32)c(Cl)c1	ZINC000262117866	645618505	/nfs/dbraw/zinc/61/85/05/645618505.db2.gz	BPRRNLMSBIEQLH-OAHLLOKOSA-N	0	1	381.841	2.414	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC[C@@H]1NCCc2ccccc21	ZINC000262241962	645621720	/nfs/dbraw/zinc/62/17/20/645621720.db2.gz	PEARJFIKXCOBIB-AWEZNQCLSA-N	0	1	381.841	2.414	20	5		GEBDMN
COCCN1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1	ZINC000267442944	645902954	/nfs/dbraw/zinc/90/29/54/645902954.db2.gz	CQUWGGZDMYCRMB-UHFFFAOYSA-N	0	1	386.246	2.152	20	5		GEBDMN
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](c1cnn(C)c1)C(F)(F)F	ZINC000278560011	646525445	/nfs/dbraw/zinc/52/54/45/646525445.db2.gz	BDQCPYLDFZVTBH-GFCCVEGCSA-N	0	1	378.332	2.219	20	5		GEBDMN
O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NCCCc1nc[nH]n1	ZINC000281015146	646737663	/nfs/dbraw/zinc/73/76/63/646737663.db2.gz	RIOAHPXFJKFGNT-UHFFFAOYSA-N	0	1	379.320	2.051	20	5		GEBDMN
CS[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C[C@@H]1N1CCCC1	ZINC000332071296	647409846	/nfs/dbraw/zinc/40/98/46/647409846.db2.gz	CIAPATSDTNQIDC-GJZGRUSLSA-N	0	1	385.511	2.104	20	5		GEBDMN
CS[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C[C@H]1N1CCCC1	ZINC000332107597	647411874	/nfs/dbraw/zinc/41/18/74/647411874.db2.gz	ZWGMGJZISMTYMA-HUUCEWRRSA-N	0	1	385.511	2.104	20	5		GEBDMN
CS[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C[C@H]1N1CCCC1	ZINC000332107586	647411976	/nfs/dbraw/zinc/41/19/76/647411976.db2.gz	ZWGMGJZISMTYMA-CABCVRRESA-N	0	1	385.511	2.104	20	5		GEBDMN
Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H](c3nc[nH]n3)C2)cc1[N+](=O)[O-]	ZINC000370295803	647783598	/nfs/dbraw/zinc/78/35/98/647783598.db2.gz	ABZZJPAGXSUZDH-SNVBAGLBSA-N	0	1	385.833	2.243	20	5		GEBDMN
NC(=O)CCSc1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000442354107	648842047	/nfs/dbraw/zinc/84/20/47/648842047.db2.gz	UGNULHILMDNCKG-UHFFFAOYSA-N	0	1	381.435	2.363	20	5		GEBDMN
Cc1sc(S(=O)(=O)Nc2ccc3c(c2F)CCNC3=O)cc1[N+](=O)[O-]	ZINC000551114334	651118446	/nfs/dbraw/zinc/11/84/46/651118446.db2.gz	DUKZZBQRUVCTRZ-UHFFFAOYSA-N	0	1	385.398	2.191	20	5		GEBDMN
C[C@H](CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])N1CCCC1	ZINC000614832474	651840338	/nfs/dbraw/zinc/84/03/38/651840338.db2.gz	NEEMJBKOHIRTEO-SNVBAGLBSA-N	0	1	392.275	2.120	20	5		GEBDMN
CCN1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1	ZINC000742276225	651972221	/nfs/dbraw/zinc/97/22/21/651972221.db2.gz	ZVKIMLDAIWBOCB-UHFFFAOYSA-N	0	1	392.275	2.120	20	5		GEBDMN
O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@@H](c1cccs1)N1CCCC1	ZINC000594744944	652679709	/nfs/dbraw/zinc/67/97/09/652679709.db2.gz	OZSXFOQVDXEBRP-ZDUSSCGKSA-N	0	1	382.467	2.167	20	5		GEBDMN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(C)(C)c2nc3ccccc3s2)n1	ZINC000599386827	652865702	/nfs/dbraw/zinc/86/57/02/652865702.db2.gz	WADIHCILOKUVGO-UHFFFAOYSA-N	0	1	381.439	2.152	20	5		GEBDMN
O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCN(C[C@H]2CCOC2)CC1	ZINC000599636855	652881409	/nfs/dbraw/zinc/88/14/09/652881409.db2.gz	QSTXVVVIBNXCLH-GFCCVEGCSA-N	0	1	398.257	2.152	20	5		GEBDMN
Cc1nnc([C@@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)o1	ZINC000769907471	653189081	/nfs/dbraw/zinc/18/90/81/653189081.db2.gz	LYTUYWUMEXKTAJ-ZCFIWIBFSA-N	0	1	391.203	2.088	20	5		GEBDMN
C[C@H]1CCCN1CCNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000780868337	653634403	/nfs/dbraw/zinc/63/44/03/653634403.db2.gz	SUBYISXQLQJENP-JTQLQIEISA-N	0	1	392.275	2.120	20	5		GEBDMN
CS[C@H]1CN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@@H]1N(C)C	ZINC000815028982	653645799	/nfs/dbraw/zinc/64/57/99/653645799.db2.gz	IJDWLSNSAPBALS-RYUDHWBXSA-N	0	1	397.881	2.053	20	5		GEBDMN
CC[NH+](CC)CCOCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815032916	653646314	/nfs/dbraw/zinc/64/63/14/653646314.db2.gz	PKLANDARHSLXSJ-UHFFFAOYSA-N	0	1	397.856	2.024	20	5		GEBDMN
Cn1cnc(S(=O)(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)c1	ZINC000840954223	653703999	/nfs/dbraw/zinc/70/39/99/653703999.db2.gz	FRENHASPAVJLNF-NSHDSACASA-N	0	1	382.295	2.049	20	5		GEBDMN
CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCSC(C)(C)C	ZINC000817288140	653707725	/nfs/dbraw/zinc/70/77/25/653707725.db2.gz	HPRJEUMVFOXLNL-UHFFFAOYSA-N	0	1	375.516	2.337	20	5		GEBDMN
CC(C)n1ncnc1CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000841521837	653726506	/nfs/dbraw/zinc/72/65/06/653726506.db2.gz	VKNXFBJJRLXGBR-UHFFFAOYSA-N	0	1	377.785	2.038	20	5		GEBDMN
O=C(OCc1cnn(Cc2ccc(Br)cc2)c1)[C@@H]1CC1[N+](=O)[O-]	ZINC000842304312	653751700	/nfs/dbraw/zinc/75/17/00/653751700.db2.gz	WWSSSICNFAPPAG-ZIAGYGMSSA-N	0	1	380.198	2.402	20	5		GEBDMN
O=C(OC[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)[C@@H]1CC1[N+](=O)[O-]	ZINC000842335439	653752873	/nfs/dbraw/zinc/75/28/73/653752873.db2.gz	AGUAVLAXTWBBJQ-OASPWFOLSA-N	0	1	383.198	2.010	20	5		GEBDMN
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CC[C@@H](c3nc[nH]n3)C2)c1Cl	ZINC000819912815	653762383	/nfs/dbraw/zinc/76/23/83/653762383.db2.gz	WRSPWCUYJONZKE-SSDOTTSWSA-N	0	1	392.224	2.198	20	5		GEBDMN
Cc1nc(CN2CCN(Cc3c(Br)cccc3[N+](=O)[O-])CC2)n[nH]1	ZINC000895267173	653825415	/nfs/dbraw/zinc/82/54/15/653825415.db2.gz	QWFIJTDPLXXSAU-UHFFFAOYSA-N	0	1	395.261	2.102	20	5		GEBDMN
Cc1ccc(N2CCN(Cc3nnc[nH]3)CC2)c([N+](=O)[O-])c1Br	ZINC000845725603	653861423	/nfs/dbraw/zinc/86/14/23/653861423.db2.gz	WFPZOLFRGPMLFT-UHFFFAOYSA-N	0	1	381.234	2.106	20	5		GEBDMN
COCCN1CC[C@H](NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1	ZINC000896259100	653871377	/nfs/dbraw/zinc/87/13/77/653871377.db2.gz	RBRUZAJGSOQPFQ-QMMMGPOBSA-N	0	1	380.203	2.491	20	5		GEBDMN
Cc1[nH]ncc1CN(C)C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000824055871	653884785	/nfs/dbraw/zinc/88/47/85/653884785.db2.gz	FICHUFPJIJFOQP-UHFFFAOYSA-N	0	1	396.245	2.484	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl	ZINC000884955726	653897753	/nfs/dbraw/zinc/89/77/53/653897753.db2.gz	VPVWGOZBYBNZLB-ZJUUUORDSA-N	0	1	377.825	2.292	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Cl	ZINC000884955726	653897755	/nfs/dbraw/zinc/89/77/55/653897755.db2.gz	VPVWGOZBYBNZLB-ZJUUUORDSA-N	0	1	377.825	2.292	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl	ZINC000884955726	653897756	/nfs/dbraw/zinc/89/77/56/653897756.db2.gz	VPVWGOZBYBNZLB-ZJUUUORDSA-N	0	1	377.825	2.292	20	5		GEBDMN
C[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)CC1(C)OCCO1	ZINC000795857413	653971835	/nfs/dbraw/zinc/97/18/35/653971835.db2.gz	RNVMFMGIWQDCDC-SECBINFHSA-N	0	1	396.824	2.455	20	5		GEBDMN
CCOC(=O)CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000795903409	653976465	/nfs/dbraw/zinc/97/64/65/653976465.db2.gz	WWZBBLFIYXXQGX-QMMMGPOBSA-N	0	1	382.797	2.397	20	5		GEBDMN
CCCN1CCN(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])CC1	ZINC000796122513	653987020	/nfs/dbraw/zinc/98/70/20/653987020.db2.gz	JJKXRMAOUMKFJH-UHFFFAOYSA-N	0	1	399.289	2.348	20	5		GEBDMN
CC[C@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@H](O)C(F)F	ZINC000831904069	654217418	/nfs/dbraw/zinc/21/74/18/654217418.db2.gz	ZIKMJIXMSMATBR-XVKPBYJWSA-N	0	1	376.740	2.070	20	5		GEBDMN
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NC1(CF)CCOCC1	ZINC000831993389	654223004	/nfs/dbraw/zinc/22/30/04/654223004.db2.gz	RUYPIGZLNCEOAZ-UHFFFAOYSA-N	0	1	397.222	2.154	20	5		GEBDMN
COCC[C@@H]1CNCCN1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1	ZINC000904393067	654308820	/nfs/dbraw/zinc/30/88/20/654308820.db2.gz	IHWNNHLEVVSYGU-LLVKDONJSA-N	0	1	387.234	2.200	20	5		GEBDMN
COCC[C@H]1CNCCN1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1	ZINC000904393068	654308911	/nfs/dbraw/zinc/30/89/11/654308911.db2.gz	IHWNNHLEVVSYGU-NSHDSACASA-N	0	1	387.234	2.200	20	5		GEBDMN
O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2ccc(Br)cn2)c1	ZINC000872234221	654318359	/nfs/dbraw/zinc/31/83/59/654318359.db2.gz	LSILEJCWUFQXIS-AWEZNQCLSA-N	0	1	382.214	2.282	20	5		GEBDMN
Cn1cnc([N+](=O)[O-])c1-c1noc(-c2sc3c(c2Br)CNC3)n1	ZINC000854153016	654342746	/nfs/dbraw/zinc/34/27/46/654342746.db2.gz	BXRIZSJDUNEUCJ-UHFFFAOYSA-N	0	1	397.214	2.473	20	5		GEBDMN
O=C(NCc1cc(Cl)ccc1I)[C@@H]1CC1[N+](=O)[O-]	ZINC000855223299	654400753	/nfs/dbraw/zinc/40/07/53/654400753.db2.gz	GLCQDHSSOCQZHN-PSASIEDQSA-N	0	1	380.569	2.226	20	5		GEBDMN
COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1	ZINC001164721071	720340659	/nfs/dbraw/zinc/34/06/59/720340659.db2.gz	ABIZDSNLIDSHOB-SJORKVTESA-N	0	1	383.408	2.025	20	5		GEBDMN
COc1cc(C)nc(N2CCc3ncc(CN4CCCC4)n3CC2)c1[N+](=O)[O-]	ZINC001164727112	720560526	/nfs/dbraw/zinc/56/05/26/720560526.db2.gz	BHASKAXNXJRZNF-UHFFFAOYSA-N	0	1	386.456	2.162	20	5		GEBDMN
Cc1cc(Cl)nc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164737078	720666732	/nfs/dbraw/zinc/66/67/32/720666732.db2.gz	CXXISUSRNQJIMZ-CHWSQXEVSA-N	0	1	390.831	2.084	20	5		GEBDMN
O=[N+]([O-])c1cc2ccccc2nc1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164737894	720729567	/nfs/dbraw/zinc/72/95/67/720729567.db2.gz	DIZGMCIJJUUULC-JKSUJKDBSA-N	0	1	392.419	2.275	20	5		GEBDMN
COC(=O)C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(Br)cc1	ZINC000159707338	531792061	/nfs/dbraw/zinc/79/20/61/531792061.db2.gz	GFCDVPHGEMTGET-SNVBAGLBSA-N	0	1	397.185	2.115	20	5		GEBDMN
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCOc1ncccc1Cl	ZINC000125596320	532139361	/nfs/dbraw/zinc/13/93/61/532139361.db2.gz	YBWAEMFYAUYXIL-UHFFFAOYSA-N	0	1	375.765	2.140	20	5		GEBDMN
CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCCN(S(C)(=O)=O)C1	ZINC000176627912	532144038	/nfs/dbraw/zinc/14/40/38/532144038.db2.gz	MTLVZCXZVCGWTI-GFCCVEGCSA-N	0	1	375.878	2.352	20	5		GEBDMN
O=[N+]([O-])c1cc(I)ccc1N1CC[C@@H](c2nc[nH]n2)C1	ZINC000425280658	532380822	/nfs/dbraw/zinc/38/08/22/532380822.db2.gz	HPNWRJZRCFSBJJ-MRVPVSSYSA-N	0	1	385.165	2.311	20	5		GEBDMN
Cc1n[nH]c(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000560121040	532416779	/nfs/dbraw/zinc/41/67/79/532416779.db2.gz	IRUYAMNRVIRMTR-UHFFFAOYSA-N	0	1	375.204	2.498	20	5		GEBDMN
Cc1[nH]nc(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)c1[N+](=O)[O-]	ZINC000428888430	532463626	/nfs/dbraw/zinc/46/36/26/532463626.db2.gz	PBVGYRHPFWUUOT-UHFFFAOYSA-N	0	1	378.801	2.974	20	5		GEBDMN
CC[C@@H](NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@@H](O)C(F)F	ZINC000295799890	532476862	/nfs/dbraw/zinc/47/68/62/532476862.db2.gz	SJFMXKFQPMHTFQ-GMSGAONNSA-N	0	1	376.740	2.070	20	5		GEBDMN
CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H](c2nnc[nH]2)c2ccccc2)s1	ZINC000375179177	532539792	/nfs/dbraw/zinc/53/97/92/532539792.db2.gz	WNOKFRTVKBITGT-GFCCVEGCSA-N	0	1	379.423	2.379	20	5		GEBDMN
CCOC(=O)C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(F)(F)F	ZINC000594701247	532520931	/nfs/dbraw/zinc/52/09/31/532520931.db2.gz	XTVOOVUDIORGFE-MRVPVSSYSA-N	0	1	390.361	2.127	20	5		GEBDMN
CC(C)(C)[C@H](NCc1cc(I)cc([N+](=O)[O-])c1)C(N)=O	ZINC000566531590	532615508	/nfs/dbraw/zinc/61/55/08/532615508.db2.gz	UYISCXCHXWOXCR-LLVKDONJSA-N	0	1	391.209	2.189	20	5		GEBDMN
O=C(Nc1nncn1-c1cccnc1)c1sc(Br)cc1[N+](=O)[O-]	ZINC000377181325	532647402	/nfs/dbraw/zinc/64/74/02/532647402.db2.gz	BSKCLPCSGDYTCR-UHFFFAOYSA-N	0	1	395.198	2.647	20	5		GEBDMN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCc2cc(Cl)ccc2OC(F)F)n1	ZINC000599246477	532656495	/nfs/dbraw/zinc/65/64/95/532656495.db2.gz	GCDGXNBJSIPSGC-UHFFFAOYSA-N	0	1	396.759	2.062	20	5		GEBDMN
C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CCN1C	ZINC000286191002	532732070	/nfs/dbraw/zinc/73/20/70/532732070.db2.gz	ZVJUDKTZEZJPBJ-UWVGGRQHSA-N	0	1	379.841	2.491	20	5		GEBDMN
Cc1nc(CN2CCN(c3cc(C)c([N+](=O)[O-])cc3Br)CC2)n[nH]1	ZINC000302691657	532772777	/nfs/dbraw/zinc/77/27/77/532772777.db2.gz	RTYSYAJKOWZIFU-UHFFFAOYSA-N	0	1	395.261	2.414	20	5		GEBDMN
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C1CC1)C(F)(F)F	ZINC000288268182	532822756	/nfs/dbraw/zinc/82/27/56/532822756.db2.gz	DCBRYWQOTZWXQK-LLVKDONJSA-N	0	1	382.316	2.001	20	5		GEBDMN
COc1cc(CN2C[C@@H](O)C[C@@H]2CO)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000359975174	206276169	/nfs/dbraw/zinc/27/61/69/206276169.db2.gz	PZGJCKPGPSBRGT-MSOLQXFVSA-N	0	1	388.420	2.110	20	5		GEBDMN
CS[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1N1CCCC1	ZINC000332082692	532848615	/nfs/dbraw/zinc/84/86/15/532848615.db2.gz	OHDDNILELFMXQC-JKSUJKDBSA-N	0	1	385.511	2.104	20	5		GEBDMN
O=[N+]([O-])c1cc(I)cc(CNC[C@H](O)C(F)(F)F)c1	ZINC000289945905	532868930	/nfs/dbraw/zinc/86/89/30/532868930.db2.gz	PVRZHMYGYYZGSL-VIFPVBQESA-N	0	1	390.099	2.212	20	5		GEBDMN
CN1CCN(C(=O)CCNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1	ZINC000290928089	532892844	/nfs/dbraw/zinc/89/28/44/532892844.db2.gz	RNZKFFYGOHMKCK-UHFFFAOYSA-N	0	1	375.256	2.155	20	5		GEBDMN
CC(C)c1[nH]nc(C(=O)N(C)CCn2cc(Br)cn2)c1[N+](=O)[O-]	ZINC000291135351	532896895	/nfs/dbraw/zinc/89/68/95/532896895.db2.gz	FNKBWUWSFLZBFK-UHFFFAOYSA-N	0	1	385.222	2.173	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CC[C@H](N3CCCC3)C2)cc1Cl	ZINC000368140831	532930413	/nfs/dbraw/zinc/93/04/13/532930413.db2.gz	AZBCBJHZQKCPJV-JTQLQIEISA-N	0	1	377.825	2.246	20	5		GEBDMN
O=C([O-])CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@H]1CCCO1	ZINC000568872088	600511818	/nfs/dbraw/zinc/51/18/18/600511818.db2.gz	KUNKPWFNWKLURV-CQSZACIVSA-N	0	1	376.369	2.101	20	5		GEBDMN
O=C([O-])CC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@H]1CCCO1	ZINC000568872088	600511819	/nfs/dbraw/zinc/51/18/19/600511819.db2.gz	KUNKPWFNWKLURV-CQSZACIVSA-N	0	1	376.369	2.101	20	5		GEBDMN
CN1CC[NH+](Cc2ccc(C(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cc2)CC1	ZINC000830954766	600959660	/nfs/dbraw/zinc/95/96/60/600959660.db2.gz	KCDPSFSUIZSVCB-UHFFFAOYSA-N	0	1	398.419	2.293	20	5		GEBDMN
O=C([O-])N1CCC([N@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C2CC2)CC1	ZINC000740509015	601913488	/nfs/dbraw/zinc/91/34/88/601913488.db2.gz	XDEDVWYKHWZUOS-UHFFFAOYSA-N	0	1	376.369	2.067	20	5		GEBDMN
O=C([O-])N1CCC([N@@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C2CC2)CC1	ZINC000740509015	601913491	/nfs/dbraw/zinc/91/34/91/601913491.db2.gz	XDEDVWYKHWZUOS-UHFFFAOYSA-N	0	1	376.369	2.067	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)Oc2cccc(Cl)c2)c1-c1nn[nH]n1	ZINC000826500311	607572858	/nfs/dbraw/zinc/57/28/58/607572858.db2.gz	SZKRBIQPRVIJKG-UHFFFAOYSA-N	0	1	381.757	2.196	20	5		GEBDMN
CN(C[C@H]1CCC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1)C(=O)[O-]	ZINC000739638132	602991516	/nfs/dbraw/zinc/99/15/16/602991516.db2.gz	UOGYFKVARYOJEN-CYBMUJFWSA-N	0	1	392.412	2.215	20	5		GEBDMN
CCC[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000825251566	607606680	/nfs/dbraw/zinc/60/66/80/607606680.db2.gz	CLJKAEGSYAMGRK-NWDGAFQWSA-N	0	1	394.457	2.412	20	5		GEBDMN
CC[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1	ZINC000825192820	607641892	/nfs/dbraw/zinc/64/18/92/607641892.db2.gz	JDIQZAQFMWPYLA-MNOVXSKESA-N	0	1	380.430	2.022	20	5		GEBDMN
C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C1CCCCC1	ZINC000824641556	607644996	/nfs/dbraw/zinc/64/49/96/607644996.db2.gz	WVSYEOCUSIGOSW-SNVBAGLBSA-N	0	1	380.430	2.022	20	5		GEBDMN
O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1	ZINC000834250708	605332559	/nfs/dbraw/zinc/33/25/59/605332559.db2.gz	QSBHKXMSNQETJI-HKUYNNGSSA-N	0	1	385.420	2.193	20	5		GEBDMN
O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1	ZINC000834250708	605332566	/nfs/dbraw/zinc/33/25/66/605332566.db2.gz	QSBHKXMSNQETJI-HKUYNNGSSA-N	0	1	385.420	2.193	20	5		GEBDMN
C[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1	ZINC000833615060	605391875	/nfs/dbraw/zinc/39/18/75/605391875.db2.gz	ZUCJRWUZYZWYRP-LBPRGKRZSA-N	0	1	399.469	2.082	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@H]2C1	ZINC000833908008	605450182	/nfs/dbraw/zinc/45/01/82/605450182.db2.gz	YXRNKUDMRREIGL-QEJZJMRPSA-N	0	1	376.413	2.210	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000833907544	605877312	/nfs/dbraw/zinc/87/73/12/605877312.db2.gz	LTCUQZBRQWXWTP-NNQSOWQGSA-N	0	1	376.413	2.447	20	5		GEBDMN
C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)c2ccccc21	ZINC000820767641	607153098	/nfs/dbraw/zinc/15/30/98/607153098.db2.gz	JDAXQBOGPQSSGB-SNVBAGLBSA-N	0	1	386.393	2.087	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(C[NH+]2CCCC2)cc1	ZINC000823625599	607165567	/nfs/dbraw/zinc/16/55/67/607165567.db2.gz	ZCUJLPYSDMFORK-UHFFFAOYSA-N	0	1	380.412	2.378	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(C[NH+]2CCCC2)cc1	ZINC000823625599	607165569	/nfs/dbraw/zinc/16/55/69/607165569.db2.gz	ZCUJLPYSDMFORK-UHFFFAOYSA-N	0	1	380.412	2.378	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000823620702	607167682	/nfs/dbraw/zinc/16/76/82/607167682.db2.gz	OOUDTJFUWQJBHE-AWEZNQCLSA-N	0	1	380.412	2.246	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000823620702	607167683	/nfs/dbraw/zinc/16/76/83/607167683.db2.gz	OOUDTJFUWQJBHE-AWEZNQCLSA-N	0	1	380.412	2.246	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000823620702	607167684	/nfs/dbraw/zinc/16/76/84/607167684.db2.gz	OOUDTJFUWQJBHE-AWEZNQCLSA-N	0	1	380.412	2.246	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000823620702	607167685	/nfs/dbraw/zinc/16/76/85/607167685.db2.gz	OOUDTJFUWQJBHE-AWEZNQCLSA-N	0	1	380.412	2.246	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc(Cl)c(F)c2)c1-c1nn[nH]n1	ZINC000826500069	608056994	/nfs/dbraw/zinc/05/69/94/608056994.db2.gz	JZOGWDOQVAYEAG-UHFFFAOYSA-N	0	1	399.747	2.335	20	5		GEBDMN
C[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)cc1	ZINC000824553604	608464754	/nfs/dbraw/zinc/46/47/54/608464754.db2.gz	DKGOVDWSJHRFBQ-LBPRGKRZSA-N	0	1	381.396	2.089	20	5		GEBDMN
Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cc(S(N)(=O)=O)ccc1O	ZINC000446291534	649976338	/nfs/dbraw/zinc/97/63/38/649976338.db2.gz	AFMYLNMDSZIDMX-UHFFFAOYSA-N	0	1	385.785	2.162	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)Oc2c(F)cccc2Cl)c1-c1nn[nH]n1	ZINC000826500222	608565693	/nfs/dbraw/zinc/56/56/93/608565693.db2.gz	OSTAGWNRAUIFKK-UHFFFAOYSA-N	0	1	399.747	2.335	20	5		GEBDMN
O=[N+]([O-])c1cnccc1NS(=O)(=O)c1ccc(Br)c(F)c1	ZINC000461116490	650449588	/nfs/dbraw/zinc/44/95/88/650449588.db2.gz	LCSPTZSHKPDQAB-UHFFFAOYSA-N	0	1	376.163	2.114	20	5		GEBDMN
O=C(CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)Nc1cccc(Br)c1	ZINC000507355773	650459133	/nfs/dbraw/zinc/45/91/33/650459133.db2.gz	DHUJVEVMNNZYEZ-UHFFFAOYSA-N	0	1	394.181	2.431	20	5		GEBDMN
Cc1cnn(CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1	ZINC000462357881	650477224	/nfs/dbraw/zinc/47/72/24/650477224.db2.gz	KBKZBPZPCJQALD-UHFFFAOYSA-N	0	1	379.225	2.385	20	5		GEBDMN
CC(C)C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)OC(C)C	ZINC000512144635	650545788	/nfs/dbraw/zinc/54/57/88/650545788.db2.gz	GQYQUUHXUNPPTF-LBPRGKRZSA-N	0	1	376.406	2.379	20	5		GEBDMN
COc1c(F)cc(S(=O)(=O)Nc2ccc([S@](C)=O)cc2)cc1[N+](=O)[O-]	ZINC000488248367	650743596	/nfs/dbraw/zinc/74/35/96/650743596.db2.gz	HXAGHDHNNLDIQG-DEOSSOPVSA-N	0	1	388.398	2.281	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)NCCNCc2ccc(Cl)c(F)c2)cc1	ZINC000065977878	642893816	/nfs/dbraw/zinc/89/38/16/642893816.db2.gz	JNGFDEILJJVYAB-UHFFFAOYSA-N	0	1	387.820	2.455	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(S(C)(=O)=O)c(C)c1	ZINC000498486833	650858109	/nfs/dbraw/zinc/85/81/09/650858109.db2.gz	AXSQVJINXGAWBV-UHFFFAOYSA-N	0	1	384.435	2.416	20	5		GEBDMN
Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)ccc1S(C)(=O)=O	ZINC000498488315	650858542	/nfs/dbraw/zinc/85/85/42/650858542.db2.gz	RBMFBLJOVFKABO-UHFFFAOYSA-N	0	1	384.435	2.416	20	5		GEBDMN
O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC(c2nc[nH]n2)CC1	ZINC000127474003	643776731	/nfs/dbraw/zinc/77/67/31/643776731.db2.gz	YLDOQYCKFISMGM-UHFFFAOYSA-N	0	1	394.229	2.424	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccnc2-n2cncn2)c(Cl)c1	ZINC000158725338	644156843	/nfs/dbraw/zinc/15/68/43/644156843.db2.gz	IBWMGXDPIBYGTI-UHFFFAOYSA-N	0	1	380.773	2.025	20	5		GEBDMN
CCO[C@H]1COCC[C@@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000546074649	650990538	/nfs/dbraw/zinc/99/05/38/650990538.db2.gz	GEPXDRDDIWSEGS-JQWIXIFHSA-N	0	1	399.252	2.374	20	5		GEBDMN
CCCC[C@@H](C[NH3+])[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000236899321	645419983	/nfs/dbraw/zinc/41/99/83/645419983.db2.gz	AALXQSMCBRJMMC-JTQLQIEISA-N	0	1	380.264	2.153	20	5		GEBDMN
C[C@]1(C(=O)[O-])CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1	ZINC000263457143	645665377	/nfs/dbraw/zinc/66/53/77/645665377.db2.gz	AZPQYAMLWKWFNQ-ZDUSSCGKSA-N	0	1	390.177	2.496	20	5		GEBDMN
C[C@]1(C(=O)[O-])CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1	ZINC000263457143	645665380	/nfs/dbraw/zinc/66/53/80/645665380.db2.gz	AZPQYAMLWKWFNQ-ZDUSSCGKSA-N	0	1	390.177	2.496	20	5		GEBDMN
C[C@H]1CN(CCCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCO1	ZINC000277672979	646459912	/nfs/dbraw/zinc/45/99/12/646459912.db2.gz	GFTPXPMKRWVZEK-LBPRGKRZSA-N	0	1	391.877	2.027	20	5		GEBDMN
Cc1c([C@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cnn1C	ZINC000281069372	646742730	/nfs/dbraw/zinc/74/27/30/646742730.db2.gz	AGUUMTAZWJUXMF-ZETCQYMHSA-N	0	1	376.797	2.469	20	5		GEBDMN
Cc1nn(C)cc1[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000281112815	646747104	/nfs/dbraw/zinc/74/71/04/646747104.db2.gz	GOYUQYDUSUEXPE-QMMMGPOBSA-N	0	1	376.797	2.469	20	5		GEBDMN
CN(C)C(=O)CN1CCC(Nc2ccc([N+](=O)[O-])cc2Br)CC1	ZINC000281276871	646758347	/nfs/dbraw/zinc/75/83/47/646758347.db2.gz	RSSQWODEOXZBNF-UHFFFAOYSA-N	0	1	385.262	2.322	20	5		GEBDMN
Cc1c(Br)cc(C(=O)N2CCO[C@@H]3CCN(C)C[C@@H]32)cc1[N+](=O)[O-]	ZINC000285989847	646863948	/nfs/dbraw/zinc/86/39/48/646863948.db2.gz	YHTFPYTZQFRPRU-LSDHHAIUSA-N	0	1	398.257	2.211	20	5		GEBDMN
C[C@H](CO)N1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1	ZINC000364936536	647650018	/nfs/dbraw/zinc/65/00/18/647650018.db2.gz	OSXXLVUSLRVKSK-GFCCVEGCSA-N	0	1	387.889	2.255	20	5		GEBDMN
CN(C)C[C@H]1CCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000416425389	648123678	/nfs/dbraw/zinc/12/36/78/648123678.db2.gz	DRGGPPAVXRZMNY-LLVKDONJSA-N	0	1	381.376	2.328	20	5		GEBDMN
CN(CCCc1ccsc1)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000420977409	648461086	/nfs/dbraw/zinc/46/10/86/648461086.db2.gz	VDNNRONSQYVLFH-UHFFFAOYSA-N	0	1	383.495	2.499	20	5		GEBDMN
COC[C@](C)(CC(=O)OC)NCc1ccc(Br)cc1[N+](=O)[O-]	ZINC000425420388	648675966	/nfs/dbraw/zinc/67/59/66/648675966.db2.gz	SBQSIIWKFXJAOU-AWEZNQCLSA-N	0	1	375.219	2.415	20	5		GEBDMN
CN(C)c1nc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cs1	ZINC000610471137	651663582	/nfs/dbraw/zinc/66/35/82/651663582.db2.gz	FVLKGNIDHDBLKA-UHFFFAOYSA-N	0	1	376.847	2.249	20	5		GEBDMN
C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCN1C	ZINC000742308941	651978214	/nfs/dbraw/zinc/97/82/14/651978214.db2.gz	MNUBXNDIPXVMAX-ZJUUUORDSA-N	0	1	392.275	2.118	20	5		GEBDMN
COC(=O)c1cc(NC(=O)CSc2n[nH]c(=S)s2)cc([N+](=O)[O-])c1	ZINC000747395443	652162083	/nfs/dbraw/zinc/16/20/83/652162083.db2.gz	CQBYHURTSSZEBK-UHFFFAOYSA-N	0	1	386.436	2.252	20	5		GEBDMN
CN(C)C[C@H]1CCCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-]	ZINC000757506036	652517842	/nfs/dbraw/zinc/51/78/42/652517842.db2.gz	MTPBNJLCZYWZBG-SNVBAGLBSA-N	0	1	381.376	2.419	20	5		GEBDMN
O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H](N2CC[C@H](O)C2)C1	ZINC000588864056	652557118	/nfs/dbraw/zinc/55/71/18/652557118.db2.gz	YMCDTXSHJHDKST-STQMWFEESA-N	0	1	385.873	2.008	20	5		GEBDMN
CCOC(=O)c1cc([N+](=O)[O-])c(NCCc2nc[nH]n2)cc1Br	ZINC000771173775	653098824	/nfs/dbraw/zinc/09/88/24/653098824.db2.gz	PMHDSLKWSCXXMP-UHFFFAOYSA-N	0	1	384.190	2.307	20	5		GEBDMN
O=[N+]([O-])c1cccc(Br)c1CN1CCN([C@@H]2CCC[C@@H]2O)CC1	ZINC000769327647	653149100	/nfs/dbraw/zinc/14/91/00/653149100.db2.gz	KJWHBEBNZAXYFB-CVEARBPZSA-N	0	1	384.274	2.388	20	5		GEBDMN
O=[N+]([O-])c1cccc(Br)c1CN1CCN([C@@H]2CCC[C@H]2O)CC1	ZINC000769327668	653149133	/nfs/dbraw/zinc/14/91/33/653149133.db2.gz	KJWHBEBNZAXYFB-HZPDHXFCSA-N	0	1	384.274	2.388	20	5		GEBDMN
COCCO[C@H]1COCC[C@@H]1NCc1cc(Br)c([N+](=O)[O-])s1	ZINC000602621286	653195590	/nfs/dbraw/zinc/19/55/90/653195590.db2.gz	CPVAHKFPYWJBSP-RYUDHWBXSA-N	0	1	395.275	2.329	20	5		GEBDMN
O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H](CO)CC(F)(F)F)c(Cl)cc1Cl	ZINC000809827794	653303966	/nfs/dbraw/zinc/30/39/66/653303966.db2.gz	DYGVHLJZKIJTNS-RXMQYKEDSA-N	0	1	397.158	2.493	20	5		GEBDMN
CC[C@@H](NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@@H](O)C(F)(F)F	ZINC000809829842	653305105	/nfs/dbraw/zinc/30/51/05/653305105.db2.gz	HQKUKRXHIWZIJX-GMSGAONNSA-N	0	1	394.730	2.367	20	5		GEBDMN
C[C@@H]1CN(Cc2cc(I)cc([N+](=O)[O-])c2)CCN1C	ZINC000809968071	653315611	/nfs/dbraw/zinc/31/56/11/653315611.db2.gz	MNMMWWPCPGURMZ-SNVBAGLBSA-N	0	1	375.210	2.335	20	5		GEBDMN
CC[N@H+](C)[C@@H](C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1ccccc1	ZINC000780364424	653624589	/nfs/dbraw/zinc/62/45/89/653624589.db2.gz	DNGNVJZJWDIUSA-CQSZACIVSA-N	0	1	383.451	2.154	20	5		GEBDMN
CC[N@@H+](C)[C@@H](C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1ccccc1	ZINC000780364424	653624592	/nfs/dbraw/zinc/62/45/92/653624592.db2.gz	DNGNVJZJWDIUSA-CQSZACIVSA-N	0	1	383.451	2.154	20	5		GEBDMN
C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)no1	ZINC000839704532	653660907	/nfs/dbraw/zinc/66/09/07/653660907.db2.gz	UCJQHVOENJTQFP-WHGOUJPWSA-N	0	1	381.186	2.342	20	5		GEBDMN
CC1(C)COC(=O)[C@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000841536274	653729459	/nfs/dbraw/zinc/72/94/59/653729459.db2.gz	ZKMROKRXDOHNQU-SNVBAGLBSA-N	0	1	383.209	2.132	20	5		GEBDMN
Cc1[nH]nc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1Br	ZINC000787507122	653739115	/nfs/dbraw/zinc/73/91/15/653739115.db2.gz	IEWYFOMBFJNTMS-UHFFFAOYSA-N	0	1	381.186	2.292	20	5		GEBDMN
[NH3+]CCCCCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000842920381	653773815	/nfs/dbraw/zinc/77/38/15/653773815.db2.gz	RCHJRSFKOFPCNI-UHFFFAOYSA-N	0	1	380.264	2.155	20	5		GEBDMN
CC(C)(C)N1CC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1=O	ZINC000827814902	654009042	/nfs/dbraw/zinc/00/90/42/654009042.db2.gz	KDQSXWSUALLUJS-JTQLQIEISA-N	0	1	393.824	2.065	20	5		GEBDMN
CCc1nc(COC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])n[nH]1	ZINC000797266910	654025825	/nfs/dbraw/zinc/02/58/25/654025825.db2.gz	NAPSPUKURBZBEJ-UHFFFAOYSA-N	0	1	398.217	2.217	20	5		GEBDMN
CC(C)[C@H]([NH3+])CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000850593731	654085219	/nfs/dbraw/zinc/08/52/19/654085219.db2.gz	YXFUXEULLDBHQV-SNVBAGLBSA-N	0	1	380.264	2.009	20	5		GEBDMN
COC(=O)c1cc(OC)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2F)s1	ZINC000800929455	654168299	/nfs/dbraw/zinc/16/82/99/654168299.db2.gz	GQYLSKZZJKGBIB-UHFFFAOYSA-N	0	1	390.370	2.391	20	5		GEBDMN
C[C@@H]1CN(C)C[C@@H](C)N1C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000802878632	654249536	/nfs/dbraw/zinc/24/95/36/654249536.db2.gz	XYOQWKSLKMKRLB-VXGBXAGGSA-N	0	1	399.289	2.345	20	5		GEBDMN
CN(CC(=O)N1CCN(C)CC1(C)C)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000802956754	654252644	/nfs/dbraw/zinc/25/26/44/654252644.db2.gz	JKDBSQPQPBBQND-UHFFFAOYSA-N	0	1	399.289	2.346	20	5		GEBDMN
O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2ccc(Br)cn2)c1	ZINC000872234222	654318483	/nfs/dbraw/zinc/31/84/83/654318483.db2.gz	LSILEJCWUFQXIS-CQSZACIVSA-N	0	1	382.214	2.282	20	5		GEBDMN
CN1CCC2(CCN2S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1	ZINC000907856322	654583891	/nfs/dbraw/zinc/58/38/91/654583891.db2.gz	SFDXYGCSSBYCAI-UHFFFAOYSA-N	0	1	377.825	2.246	20	5		GEBDMN
O=C(NC[C@H]1CN2CCN1CCC2)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl	ZINC000908029424	654598294	/nfs/dbraw/zinc/59/82/94/654598294.db2.gz	JOFIINYJHFZCHB-VIFPVBQESA-N	0	1	391.230	2.160	20	5		GEBDMN
O=C(c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CC[C@@H](N2CC[C@H](O)C2)C1	ZINC000908201950	654613004	/nfs/dbraw/zinc/61/30/04/654613004.db2.gz	NNDGMTFULYRSBP-BDAKNGLRSA-N	0	1	392.214	2.322	20	5		GEBDMN
COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)n1	ZINC001164729495	720482403	/nfs/dbraw/zinc/48/24/03/720482403.db2.gz	RFCALSNDDOCCBN-CVEARBPZSA-N	0	1	383.408	2.025	20	5		GEBDMN
Cn1cc(CN2CC[C@H]3CN(c4cc([N+](=O)[O-])c5cc[nH]c5n4)C[C@@H]3C2)cn1	ZINC001164771831	721169321	/nfs/dbraw/zinc/16/93/21/721169321.db2.gz	RCESHAQWMWMFDE-GJZGRUSLSA-N	0	1	381.440	2.163	20	5		GEBDMN
Cc1nc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)ccc1[N+](=O)[O-]	ZINC001164893635	721383236	/nfs/dbraw/zinc/38/32/36/721383236.db2.gz	WJJRSKLYXWRBPP-PXNSSMCTSA-N	0	1	389.500	2.064	20	5		GEBDMN
Cc1cc([N+](=O)[O-])cnc1N1CC[C@@]2(C1)CCC[C@@H](CN1CCN(C)CC1)O2	ZINC001164894114	721383536	/nfs/dbraw/zinc/38/35/36/721383536.db2.gz	XTCAJQJVQUHZDS-AZUAARDMSA-N	0	1	389.500	2.064	20	5		GEBDMN
COc1cnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c([N+](=O)[O-])c1	ZINC001164904634	721530332	/nfs/dbraw/zinc/53/03/32/721530332.db2.gz	FUUAQAMSAZEPIS-PBHICJAKSA-N	0	1	388.399	2.479	20	5		GEBDMN
Cc1ccc(CN2CCOC3(CCN(c4cc([N+](=O)[O-])cc[n+]4[O-])CC3)C2)cc1	ZINC001164937576	721920926	/nfs/dbraw/zinc/92/09/26/721920926.db2.gz	DCCMTYGHOUUZPP-UHFFFAOYSA-N	0	1	398.463	2.408	20	5		GEBDMN
O=[N+]([O-])c1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(F)c1	ZINC001164982548	722110312	/nfs/dbraw/zinc/11/03/12/722110312.db2.gz	WZROOKZCQFBGHA-YJBOKZPZSA-N	0	1	387.415	2.251	20	5		GEBDMN
O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCN(CC2CC2)CC1	ZINC000123728623	532106451	/nfs/dbraw/zinc/10/64/51/532106451.db2.gz	IHONZUQMWOONHJ-UHFFFAOYSA-N	0	1	382.258	2.454	20	5		GEBDMN
CN(CCN(C)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C1CC1	ZINC000185229205	532337289	/nfs/dbraw/zinc/33/72/89/532337289.db2.gz	UIJUVWGMOMWBRL-UHFFFAOYSA-N	0	1	392.275	2.072	20	5		GEBDMN
CN(CCN(C)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C1CC1	ZINC000185230072	532337433	/nfs/dbraw/zinc/33/74/33/532337433.db2.gz	LOCNVIYWNWJPDI-UHFFFAOYSA-N	0	1	392.275	2.072	20	5		GEBDMN
Cn1cc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])c(C(F)(F)F)n1	ZINC000463432459	532373583	/nfs/dbraw/zinc/37/35/83/532373583.db2.gz	XEETYWKDTBIGHH-UHFFFAOYSA-N	0	1	378.332	2.332	20	5		GEBDMN
CN1CC[C@H](CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1=O	ZINC000425179855	532369269	/nfs/dbraw/zinc/36/92/69/532369269.db2.gz	COFALMFGXQXLNP-QMMMGPOBSA-N	0	1	396.252	2.048	20	5		GEBDMN
COc1cc(S(=O)(=O)Nc2ccc(Cl)c(C(N)=O)c2)ccc1[N+](=O)[O-]	ZINC000469032383	532487201	/nfs/dbraw/zinc/48/72/01/532487201.db2.gz	TWDRCKJFOIXBGM-UHFFFAOYSA-N	0	1	385.785	2.157	20	5		GEBDMN
CO[C@@H](CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(F)(F)F	ZINC000469206278	532495937	/nfs/dbraw/zinc/49/59/37/532495937.db2.gz	CUWDDMVBCOIFIC-VIFPVBQESA-N	0	1	376.740	2.494	20	5		GEBDMN
O=[N+]([O-])c1ccc(O)cc1CS(=O)(=O)Cc1nccn1CC(F)(F)F	ZINC000593203612	532474703	/nfs/dbraw/zinc/47/47/03/532474703.db2.gz	PPYBGGWVIAGLAL-UHFFFAOYSA-N	0	1	379.316	2.174	20	5		GEBDMN
O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H](c1cccs1)C1(CO)CCC1	ZINC000594782988	532527774	/nfs/dbraw/zinc/52/77/74/532527774.db2.gz	XJPZQGZWQVAAQF-ZDUSSCGKSA-N	0	1	383.451	2.234	20	5		GEBDMN
O=[N+]([O-])c1cccnc1S(=O)(=O)NCC[C@H]1CSc2ccccc2O1	ZINC000594791933	532530300	/nfs/dbraw/zinc/53/03/00/532530300.db2.gz	AKEDYYHINXNSAJ-NSHDSACASA-N	0	1	381.435	2.212	20	5		GEBDMN
CCCN1CC[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1	ZINC000595353614	532559750	/nfs/dbraw/zinc/55/97/50/532559750.db2.gz	IQDLMNYKYAKDQL-NSHDSACASA-N	0	1	381.376	2.376	20	5		GEBDMN
CCCN1CC[C@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1	ZINC000595353751	532560169	/nfs/dbraw/zinc/56/01/69/532560169.db2.gz	KBGHYBVMDGMYQJ-NSHDSACASA-N	0	1	392.275	2.120	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCC[C@H](c3nc[nH]n3)C2)c1	ZINC000375684586	532574352	/nfs/dbraw/zinc/57/43/52/532574352.db2.gz	GINYYRJEYYIRKF-QMMMGPOBSA-N	0	1	389.796	2.074	20	5		GEBDMN
CCc1[nH]nc(C(=O)N(C)C[C@@H](O)c2cccc(Br)c2)c1[N+](=O)[O-]	ZINC000298441557	532650294	/nfs/dbraw/zinc/65/02/94/532650294.db2.gz	RXPPUFAIGAZPSB-GFCCVEGCSA-N	0	1	397.229	2.448	20	5		GEBDMN
C[C@H]1COCCN1C1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1	ZINC000603401219	532693683	/nfs/dbraw/zinc/69/36/83/532693683.db2.gz	JOQOESMSZKRLBN-NSHDSACASA-N	0	1	385.262	2.442	20	5		GEBDMN
C[C@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000286127147	532729309	/nfs/dbraw/zinc/72/93/09/532729309.db2.gz	WDHHYRLXQBXSAB-CABZTGNLSA-N	0	1	379.841	2.348	20	5		GEBDMN
COc1ccc(S(=O)(=O)Nc2ccc(OC(F)F)nc2)c([N+](=O)[O-])c1	ZINC000549556119	532794359	/nfs/dbraw/zinc/79/43/59/532794359.db2.gz	XDQJVIORPSFSCM-UHFFFAOYSA-N	0	1	375.309	2.401	20	5		GEBDMN
CS[C@H]1CN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C[C@H]1N(C)C	ZINC000330598276	532821814	/nfs/dbraw/zinc/82/18/14/532821814.db2.gz	WPNZSXAWIZBTSD-KGLIPLIRSA-N	0	1	393.918	2.223	20	5		GEBDMN
Cn1cc([C@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)c2ccccc2)cn1	ZINC000359959196	206273528	/nfs/dbraw/zinc/27/35/28/206273528.db2.gz	LWQMUAUJAGPPIO-AZUAARDMSA-N	0	1	382.420	2.447	20	5		GEBDMN
Cn1cc([C@@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c2ccccc2)cn1	ZINC000359959200	206273657	/nfs/dbraw/zinc/27/36/57/206273657.db2.gz	LWQMUAUJAGPPIO-QUCCMNQESA-N	0	1	382.420	2.447	20	5		GEBDMN
C[C@@H](NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)c1nncn1C	ZINC000289027229	532844756	/nfs/dbraw/zinc/84/47/56/532844756.db2.gz	CXGCCJXVCQNDKI-ZCFIWIBFSA-N	0	1	380.213	2.070	20	5		GEBDMN
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC(c3nc[nH]n3)CC2)c1	ZINC000365011958	532908716	/nfs/dbraw/zinc/90/87/16/532908716.db2.gz	HXWYTUJCGVVIAQ-UHFFFAOYSA-N	0	1	385.833	2.243	20	5		GEBDMN
Cc1c(Br)cc(C(=O)N2CCC[C@H](c3nn[nH]n3)C2)cc1[N+](=O)[O-]	ZINC000367116609	532922645	/nfs/dbraw/zinc/92/26/45/532922645.db2.gz	FMYOVKXMKMSJEZ-VIFPVBQESA-N	0	1	395.217	2.199	20	5		GEBDMN
O=C([O-])C[N@@H+]1CCC[C@@H]1COC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000819521528	597457391	/nfs/dbraw/zinc/45/73/91/597457391.db2.gz	NTUNWDFQIBSCAU-CYBMUJFWSA-N	0	1	391.405	2.424	20	5		GEBDMN
O=C([O-])C[N@H+]1CCC[C@@H]1COC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000819521528	597457393	/nfs/dbraw/zinc/45/73/93/597457393.db2.gz	NTUNWDFQIBSCAU-CYBMUJFWSA-N	0	1	391.405	2.424	20	5		GEBDMN
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(-c2nn[nH]n2)cc1F	ZINC000822331958	607328130	/nfs/dbraw/zinc/32/81/30/607328130.db2.gz	JVWJEQUCHMXZFD-UHFFFAOYSA-N	0	1	378.345	2.023	20	5		GEBDMN
C[C@@H](N[C@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000820410012	599385971	/nfs/dbraw/zinc/38/59/71/599385971.db2.gz	BXRQFZNEKFVHBA-VXGBXAGGSA-N	0	1	381.396	2.453	20	5		GEBDMN
CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-]	ZINC000737346845	599708681	/nfs/dbraw/zinc/70/86/81/599708681.db2.gz	DHGYJBFCRUZGNF-MNDMWVCDSA-N	0	1	390.440	2.047	20	5		GEBDMN
CC[C@H]1CCCC[N@H+]1CCNc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000736942314	600637474	/nfs/dbraw/zinc/63/74/74/600637474.db2.gz	SKASLHSRVZRHDN-ZFWWWQNUSA-N	0	1	392.456	2.474	20	5		GEBDMN
CC[C@H]1CCCC[N@H+]1CCNc1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000736942246	600637588	/nfs/dbraw/zinc/63/75/88/600637588.db2.gz	SKASLHSRVZRHDN-HIFRSBDPSA-N	0	1	392.456	2.474	20	5		GEBDMN
CC[C@@H]1CCCC[N@H+]1CCNc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000736941959	600637702	/nfs/dbraw/zinc/63/77/02/600637702.db2.gz	PMOUQXQYLBBQOM-CQSZACIVSA-N	0	1	378.429	2.086	20	5		GEBDMN
O=C([O-])CC[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCOCC1	ZINC000833231861	601050504	/nfs/dbraw/zinc/05/05/04/601050504.db2.gz	CMGWWAMPVSNBMD-UHFFFAOYSA-N	0	1	385.804	2.142	20	5		GEBDMN
C[C@@H]1C[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C[C@@H]1C(=O)[O-]	ZINC000828441333	601503309	/nfs/dbraw/zinc/50/33/09/601503309.db2.gz	PJZUMVSWTKXHOW-MFKMUULPSA-N	0	1	390.421	2.309	20	5		GEBDMN
C[C@@H]1C[N@@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C[C@@H]1C(=O)[O-]	ZINC000828441333	601503310	/nfs/dbraw/zinc/50/33/10/601503310.db2.gz	PJZUMVSWTKXHOW-MFKMUULPSA-N	0	1	390.421	2.309	20	5		GEBDMN
CC(C)C[N@H+]1CC[C@@H](CNc2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000826881547	601688398	/nfs/dbraw/zinc/68/83/98/601688398.db2.gz	YNKFKVAVUXLRMQ-KBPBESRZSA-N	0	1	392.456	2.188	20	5		GEBDMN
Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1	ZINC000833009947	601740894	/nfs/dbraw/zinc/74/08/94/601740894.db2.gz	RZPWCZLJNRZKCB-HXUWFJFHSA-N	0	1	398.419	2.147	20	5		GEBDMN
CN(C(=O)C[N@@H+](C1CC1)C1CCN(C(=O)[O-])CC1)c1ccc([N+](=O)[O-])cc1	ZINC000739572421	601931085	/nfs/dbraw/zinc/93/10/85/601931085.db2.gz	OSYTXDZVMQPBET-UHFFFAOYSA-N	0	1	376.413	2.164	20	5		GEBDMN
COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](N(C)C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000739922467	601971289	/nfs/dbraw/zinc/97/12/89/601971289.db2.gz	YRMSZLSCSRZBSC-LBPRGKRZSA-N	0	1	380.401	2.006	20	5		GEBDMN
CCC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H]1CCN(C(=O)[O-])C1	ZINC000739356449	602991195	/nfs/dbraw/zinc/99/11/95/602991195.db2.gz	FGOHZLPQTFCJTH-AWEZNQCLSA-N	0	1	392.412	2.357	20	5		GEBDMN
CCC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H]1CCN(C(=O)[O-])C1	ZINC000739356450	602991422	/nfs/dbraw/zinc/99/14/22/602991422.db2.gz	FGOHZLPQTFCJTH-CQSZACIVSA-N	0	1	392.412	2.357	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)Oc2cc(Cl)ccc2F)c1-c1nn[nH]n1	ZINC000826500208	607618992	/nfs/dbraw/zinc/61/89/92/607618992.db2.gz	OIVHAXLOMREKRD-UHFFFAOYSA-N	0	1	399.747	2.335	20	5		GEBDMN
O=C([O-])NCCCOC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1	ZINC000832633100	603573075	/nfs/dbraw/zinc/57/30/75/603573075.db2.gz	OQNZJAOROITAKS-UHFFFAOYSA-N	0	1	378.385	2.375	20	5		GEBDMN
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(C(=O)[O-])CC1(C)C	ZINC000829515196	603916971	/nfs/dbraw/zinc/91/69/71/603916971.db2.gz	FLRXRPFZFBZIFU-UHFFFAOYSA-N	0	1	380.401	2.006	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000830433885	603980436	/nfs/dbraw/zinc/98/04/36/603980436.db2.gz	YMUWOADWXWGSQG-HIFRSBDPSA-N	0	1	376.413	2.449	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCC[NH+]1CCN(C(=O)[O-])CC1	ZINC000830426757	603997306	/nfs/dbraw/zinc/99/73/06/603997306.db2.gz	AWTZLLCMFBGTJA-UHFFFAOYSA-N	0	1	379.417	2.019	20	5		GEBDMN
Cc1cc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000565036130	604558905	/nfs/dbraw/zinc/55/89/05/604558905.db2.gz	RCLGDELXUYLAIX-FKEKPDDDSA-N	0	1	388.468	2.349	20	5		GEBDMN
CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000593748247	605388074	/nfs/dbraw/zinc/38/80/74/605388074.db2.gz	KHISCMHVDMTWCK-CYBMUJFWSA-N	0	1	384.454	2.191	20	5		GEBDMN
CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000593748247	605388082	/nfs/dbraw/zinc/38/80/82/605388082.db2.gz	KHISCMHVDMTWCK-CYBMUJFWSA-N	0	1	384.454	2.191	20	5		GEBDMN
O=C([O-])N[C@@H]1CCC[C@@H]2C[N@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]21	ZINC000834184412	605444669	/nfs/dbraw/zinc/44/46/69/605444669.db2.gz	GXFGIVVSZKCRLS-ZFVVBOAOSA-N	0	1	388.424	2.068	20	5		GEBDMN
C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@@H]2C1	ZINC000833789017	605455040	/nfs/dbraw/zinc/45/50/40/605455040.db2.gz	FUHMMXZJWHAKAN-NOXHYTERSA-N	0	1	376.413	2.290	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H](C(=O)NCCNC(=O)[O-])C1	ZINC000833907160	605547597	/nfs/dbraw/zinc/54/75/97/605547597.db2.gz	CEHLPJGWOOJROQ-KBPBESRZSA-N	0	1	378.429	2.060	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C1CC1)[C@H]1CCN(C(=O)[O-])C1	ZINC000833907858	605776745	/nfs/dbraw/zinc/77/67/45/605776745.db2.gz	VYRBMVAVZXIGFX-HNNXBMFYSA-N	0	1	376.413	2.449	20	5		GEBDMN
O=C([O-])N1CC[C@H]([N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C2CC2)C1	ZINC000834082853	605781966	/nfs/dbraw/zinc/78/19/66/605781966.db2.gz	MVMVBJCWTBOJBF-AWEZNQCLSA-N	0	1	390.396	2.110	20	5		GEBDMN
O=C([O-])N1CCC2(CC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)CC1	ZINC000833992329	605900127	/nfs/dbraw/zinc/90/01/27/605900127.db2.gz	GKVVODUHDUMNRZ-UHFFFAOYSA-N	0	1	376.413	2.389	20	5		GEBDMN
O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)N1CCc2ccc([N+](=O)[O-])cc21	ZINC000832235068	605942267	/nfs/dbraw/zinc/94/22/67/605942267.db2.gz	VFSHZMCZUUFPQN-GOOCMWNKSA-N	0	1	388.424	2.137	20	5		GEBDMN
O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)N1CCc2ccc([N+](=O)[O-])cc21	ZINC000832235068	605942269	/nfs/dbraw/zinc/94/22/69/605942269.db2.gz	VFSHZMCZUUFPQN-GOOCMWNKSA-N	0	1	388.424	2.137	20	5		GEBDMN
CC[C@@H](C)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000820860251	606734153	/nfs/dbraw/zinc/73/41/53/606734153.db2.gz	IOHLACPZSBWPEE-NEPJUHHUSA-N	0	1	394.457	2.364	20	5		GEBDMN
CCc1ccc([C@H](CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])[NH+](C)C)cc1	ZINC000821480777	607162368	/nfs/dbraw/zinc/16/23/68/607162368.db2.gz	FAFWGXGWJHKNJA-HNNXBMFYSA-N	0	1	382.428	2.447	20	5		GEBDMN
CCc1ccc([C@H](CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])[NH+](C)C)cc1	ZINC000821480777	607162370	/nfs/dbraw/zinc/16/23/70/607162370.db2.gz	FAFWGXGWJHKNJA-HNNXBMFYSA-N	0	1	382.428	2.447	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCC[N@@H+]1CCc2ccccc2C1	ZINC000823624769	607167808	/nfs/dbraw/zinc/16/78/08/607167808.db2.gz	IVRXROVMGVYKLI-UHFFFAOYSA-N	0	1	380.412	2.030	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCC[N@H+]1CCc2ccccc2C1	ZINC000823624769	607167810	/nfs/dbraw/zinc/16/78/10/607167810.db2.gz	IVRXROVMGVYKLI-UHFFFAOYSA-N	0	1	380.412	2.030	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCC[N@@H+]1CCc2ccccc2C1	ZINC000823624769	607167811	/nfs/dbraw/zinc/16/78/11/607167811.db2.gz	IVRXROVMGVYKLI-UHFFFAOYSA-N	0	1	380.412	2.030	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCC[N@H+]1CCc2ccccc2C1	ZINC000823624769	607167813	/nfs/dbraw/zinc/16/78/13/607167813.db2.gz	IVRXROVMGVYKLI-UHFFFAOYSA-N	0	1	380.412	2.030	20	5		GEBDMN
Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](C)c1ccc(-c2nn[nH]n2)cc1	ZINC000826304683	608460278	/nfs/dbraw/zinc/46/02/78/608460278.db2.gz	ULSWPEGNOLZOJU-LBPRGKRZSA-N	0	1	381.396	2.373	20	5		GEBDMN
Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1ccc(-c2nn[nH]n2)cc1	ZINC000826272283	608464585	/nfs/dbraw/zinc/46/45/85/608464585.db2.gz	CBPSMSPFDMJDNR-GFCCVEGCSA-N	0	1	381.396	2.373	20	5		GEBDMN
CC[C@H](NCC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1	ZINC000825143962	608552215	/nfs/dbraw/zinc/55/22/15/608552215.db2.gz	XCEQLDYBAWUFAG-KRWDZBQOSA-N	0	1	395.423	2.132	20	5		GEBDMN
O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](c3cccc(Br)c3)C2)c1	ZINC000451576096	650127005	/nfs/dbraw/zinc/12/70/05/650127005.db2.gz	ZKPIOSMFKRMMGP-CJNGLKHVSA-N	0	1	395.257	2.404	20	5		GEBDMN
CC(C)N1CC[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1=O	ZINC000462137673	650470468	/nfs/dbraw/zinc/47/04/68/650470468.db2.gz	VFRGYVWZVGYLSQ-SNVBAGLBSA-N	0	1	396.252	2.189	20	5		GEBDMN
C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCN1C	ZINC000462500530	650482081	/nfs/dbraw/zinc/48/20/81/650482081.db2.gz	LAKXNENNNKMFPV-KOLCDFICSA-N	0	1	392.275	2.118	20	5		GEBDMN
C[C@H](Cn1ccnc1)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000462534912	650483097	/nfs/dbraw/zinc/48/30/97/650483097.db2.gz	GYHHRGDPJFQLHD-MRVPVSSYSA-N	0	1	379.225	2.465	20	5		GEBDMN
CCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1	ZINC000524549012	650643062	/nfs/dbraw/zinc/64/30/62/650643062.db2.gz	HMSGETIQPCMREG-UHFFFAOYSA-N	0	1	384.435	2.498	20	5		GEBDMN
CCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000014097540	642376129	/nfs/dbraw/zinc/37/61/29/642376129.db2.gz	NUOLCJZAWOTNGE-UHFFFAOYSA-N	0	1	384.435	2.498	20	5		GEBDMN
CN(C)[C@H]1CCCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1	ZINC000057838583	642818841	/nfs/dbraw/zinc/81/88/41/642818841.db2.gz	YEOPZUPCYJPEIU-JTQLQIEISA-N	0	1	381.376	2.419	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)NCCNCc2ccc(Cl)s2)cc1	ZINC000067450532	642968662	/nfs/dbraw/zinc/96/86/62/642968662.db2.gz	HMXQZUTYUWBVMP-UHFFFAOYSA-N	0	1	375.859	2.378	20	5		GEBDMN
CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)c1	ZINC000536459372	650802795	/nfs/dbraw/zinc/80/27/95/650802795.db2.gz	MJHDAJYYLMHDJS-UHFFFAOYSA-N	0	1	384.435	2.498	20	5		GEBDMN
CCC(CC)(C[NH3+])[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000124076115	643680707	/nfs/dbraw/zinc/68/07/07/643680707.db2.gz	VTBAXNARJOLBTG-UHFFFAOYSA-N	0	1	380.264	2.153	20	5		GEBDMN
C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nnc2ccccn21	ZINC000154472130	644044567	/nfs/dbraw/zinc/04/45/67/644044567.db2.gz	MRWZZSLRLKYSEE-VIFPVBQESA-N	0	1	381.801	2.330	20	5		GEBDMN
CCN1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000193723154	645293767	/nfs/dbraw/zinc/29/37/67/645293767.db2.gz	RJHHKPBWPIOYKL-SNVBAGLBSA-N	0	1	392.275	2.120	20	5		GEBDMN
CCCC[C@H](C[NH3+])[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000236745333	645418632	/nfs/dbraw/zinc/41/86/32/645418632.db2.gz	AALXQSMCBRJMMC-SNVBAGLBSA-N	0	1	380.264	2.153	20	5		GEBDMN
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1[NH2+]CCc2ccccc21	ZINC000262309038	645626218	/nfs/dbraw/zinc/62/62/18/645626218.db2.gz	OUSZNDBOLLNWQE-CQSZACIVSA-N	0	1	381.841	2.414	20	5		GEBDMN
CN1CC[C@H]2CCN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)C[C@@H]21	ZINC000377882836	647871292	/nfs/dbraw/zinc/87/12/92/647871292.db2.gz	GZKQHNROJBJVPA-ZANVPECISA-N	0	1	377.825	2.102	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@]1(O)CCSC1	ZINC000443363082	648873987	/nfs/dbraw/zinc/87/39/87/648873987.db2.gz	AATZUHZRZKSIAA-LLVKDONJSA-N	0	1	387.266	2.048	20	5		GEBDMN
CSCC[C@H](CO)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000443491019	648879731	/nfs/dbraw/zinc/87/97/31/648879731.db2.gz	PFKVHDLKYYECIT-MRVPVSSYSA-N	0	1	389.282	2.294	20	5		GEBDMN
CN1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)C1	ZINC000608783471	651607536	/nfs/dbraw/zinc/60/75/36/651607536.db2.gz	KKGVJPYXICXJAX-SECBINFHSA-N	0	1	389.193	2.023	20	5		GEBDMN
Cc1nnc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1	ZINC000569333454	651707224	/nfs/dbraw/zinc/70/72/24/651707224.db2.gz	UTKJWXVPAJXWQG-UHFFFAOYSA-N	0	1	382.345	2.252	20	5		GEBDMN
Cc1[nH]nc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1Br	ZINC000736167080	651812466	/nfs/dbraw/zinc/81/24/66/651812466.db2.gz	NTMZSCBUBLYJRE-SECBINFHSA-N	0	1	395.217	2.110	20	5		GEBDMN
C[C@H]1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCN1C	ZINC000742309056	651978186	/nfs/dbraw/zinc/97/81/86/651978186.db2.gz	KHXKXOVNRPQLEP-UWVGGRQHSA-N	0	1	392.275	2.118	20	5		GEBDMN
C[C@@H]1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCN1C	ZINC000742309055	651978228	/nfs/dbraw/zinc/97/82/28/651978228.db2.gz	KHXKXOVNRPQLEP-NXEZZACHSA-N	0	1	392.275	2.118	20	5		GEBDMN
CC1(CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])OCCO1	ZINC000759115479	652563574	/nfs/dbraw/zinc/56/35/74/652563574.db2.gz	KEACJMLKDTZLNF-UHFFFAOYSA-N	0	1	385.225	2.333	20	5		GEBDMN
CC(C)[C@H]1CNCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000599101443	652849599	/nfs/dbraw/zinc/84/95/99/652849599.db2.gz	JTHVHOCQGAHICN-GFCCVEGCSA-N	0	1	381.376	2.232	20	5		GEBDMN
CC1(N2CCOCC2)CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1	ZINC000599160630	652851672	/nfs/dbraw/zinc/85/16/72/652851672.db2.gz	PNDQBOMUXAJNCY-UHFFFAOYSA-N	0	1	385.262	2.443	20	5		GEBDMN
CO[C@@H](c1ccccc1Cl)[C@@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599274173	652857713	/nfs/dbraw/zinc/85/77/13/652857713.db2.gz	MWFYDEUVWSAQHG-NOZJJQNGSA-N	0	1	388.833	2.036	20	5		GEBDMN
CS[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C[C@H]1N(C)C	ZINC000767315370	652919740	/nfs/dbraw/zinc/91/97/40/652919740.db2.gz	NSPHJUSIXNVJER-CHWSQXEVSA-N	0	1	393.918	2.223	20	5		GEBDMN
CN(C)C[C@@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000771959612	653134864	/nfs/dbraw/zinc/13/48/64/653134864.db2.gz	ISEODXHQKIQHOS-NSHDSACASA-N	0	1	392.275	2.072	20	5		GEBDMN
C[C@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccnc(Cl)c1	ZINC000773005191	653176278	/nfs/dbraw/zinc/17/62/78/653176278.db2.gz	ADJSOADYDSZNAA-NSHDSACASA-N	0	1	384.845	2.272	20	5		GEBDMN
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@]1(N(C)C)CCSC1	ZINC000769909103	653189316	/nfs/dbraw/zinc/18/93/16/653189316.db2.gz	SSHIACIPNCNKCD-CQSZACIVSA-N	0	1	393.918	2.272	20	5		GEBDMN
Cc1ncc([N+](=O)[O-])n1CCN[C@H](CO)c1ccc(Br)c(F)c1	ZINC000602838735	653209376	/nfs/dbraw/zinc/20/93/76/653209376.db2.gz	HHSZHDGYGTVBFP-CYBMUJFWSA-N	0	1	387.209	2.325	20	5		GEBDMN
O=[N+]([O-])c1cnn(CCN2CC[C@H](Oc3cncc(Br)c3)C2)c1	ZINC000602885587	653212485	/nfs/dbraw/zinc/21/24/85/653212485.db2.gz	GEXRHBVZYSGABF-ZDUSSCGKSA-N	0	1	382.218	2.102	20	5		GEBDMN
CC(=O)Nc1ncc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1	ZINC000808549874	653231370	/nfs/dbraw/zinc/23/13/70/653231370.db2.gz	UXDIDHQANJJMQL-UHFFFAOYSA-N	0	1	376.803	2.464	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2CC[N@H+](CC3CC3)C2)cc1Cl	ZINC000809815579	653298384	/nfs/dbraw/zinc/29/83/84/653298384.db2.gz	JRNCMWYETZPSGP-JTQLQIEISA-N	0	1	377.825	2.150	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2CC[N@@H+](CC3CC3)C2)cc1Cl	ZINC000809815579	653298391	/nfs/dbraw/zinc/29/83/91/653298391.db2.gz	JRNCMWYETZPSGP-JTQLQIEISA-N	0	1	377.825	2.150	20	5		GEBDMN
CC(C)OCc1nc([C@H](C)NS(=O)(=O)c2csc([N+](=O)[O-])c2)no1	ZINC000810117089	653327026	/nfs/dbraw/zinc/32/70/26/653327026.db2.gz	YHQODOPBVLPIFS-QMMMGPOBSA-N	0	1	376.416	2.004	20	5		GEBDMN
CN1C[C@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)[C@@H]2C1	ZINC000813741036	653613968	/nfs/dbraw/zinc/61/39/68/653613968.db2.gz	NFUMIOVIBCBWPG-PRHODGIISA-N	0	1	380.253	2.226	20	5		GEBDMN
CC[N@@H+]1CCC[C@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1	ZINC000815009087	653642978	/nfs/dbraw/zinc/64/29/78/653642978.db2.gz	ZHEQRHDACCJWMI-SNVBAGLBSA-N	0	1	379.841	2.398	20	5		GEBDMN
CC[N@H+]1CCC[C@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1	ZINC000815009087	653642981	/nfs/dbraw/zinc/64/29/81/653642981.db2.gz	ZHEQRHDACCJWMI-SNVBAGLBSA-N	0	1	379.841	2.398	20	5		GEBDMN
COc1ccc(CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])nc1	ZINC000815038464	653647137	/nfs/dbraw/zinc/64/71/37/653647137.db2.gz	JHYJQXICZWEPAZ-UHFFFAOYSA-N	0	1	375.765	2.269	20	5		GEBDMN
CN(C[C@H]1CCCN1C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000817149175	653704105	/nfs/dbraw/zinc/70/41/05/653704105.db2.gz	BFHSCEVGTQCOQS-SNVBAGLBSA-N	0	1	392.275	2.072	20	5		GEBDMN
CO[C@@H](CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(F)(F)F	ZINC000786874256	653729547	/nfs/dbraw/zinc/72/95/47/653729547.db2.gz	QFWNJZKHJREZOI-JTQLQIEISA-N	0	1	376.740	2.494	20	5		GEBDMN
CC[C@@H]1CN(C)CCN1C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000818978076	653739940	/nfs/dbraw/zinc/73/99/40/653739940.db2.gz	QHZKVKFRHNDPBI-CYBMUJFWSA-N	0	1	399.289	2.346	20	5		GEBDMN
CS(=O)(=O)c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)ccc1Cl	ZINC000821116401	653791039	/nfs/dbraw/zinc/79/10/39/653791039.db2.gz	NEEUZFHUVYPUGR-UHFFFAOYSA-N	0	1	390.826	2.453	20	5		GEBDMN
COCCN1CC[C@@H](NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1	ZINC000896259099	653871370	/nfs/dbraw/zinc/87/13/70/653871370.db2.gz	RBRUZAJGSOQPFQ-MRVPVSSYSA-N	0	1	380.203	2.491	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1	ZINC000884956285	653897745	/nfs/dbraw/zinc/89/77/45/653897745.db2.gz	ZQKSOAUMWPWYCL-UWVGGRQHSA-N	0	1	377.825	2.292	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-][C@H]2CC[N@H+]3CCC[C@H]3C2)c1	ZINC000884956285	653897748	/nfs/dbraw/zinc/89/77/48/653897748.db2.gz	ZQKSOAUMWPWYCL-UWVGGRQHSA-N	0	1	377.825	2.292	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCCOCC(F)(F)F)c1	ZINC000795784310	653966552	/nfs/dbraw/zinc/96/65/52/653966552.db2.gz	PWMJXVAFHSYUIX-UHFFFAOYSA-N	0	1	380.703	2.245	20	5		GEBDMN
COC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C1CCOCC1	ZINC000849418847	654029014	/nfs/dbraw/zinc/02/90/14/654029014.db2.gz	JAZQDWYRMRAQAO-LBPRGKRZSA-N	0	1	396.824	2.107	20	5		GEBDMN
O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cc([N+](=O)[O-])ncc1Br	ZINC000798162470	654052263	/nfs/dbraw/zinc/05/22/63/654052263.db2.gz	ZHZAGNGTTVSAKI-UHFFFAOYSA-N	0	1	390.157	2.185	20	5		GEBDMN
COC(=O)C1(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CCCC1	ZINC000798226132	654055410	/nfs/dbraw/zinc/05/54/10/654055410.db2.gz	ZZVSOVXWAIAIPW-UHFFFAOYSA-N	0	1	380.781	2.151	20	5		GEBDMN
Cc1ccn(C)c(=O)c1NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000798248127	654056756	/nfs/dbraw/zinc/05/67/56/654056756.db2.gz	PJLISHAIAXKOEV-UHFFFAOYSA-N	0	1	375.765	2.195	20	5		GEBDMN
CN(C)C[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000851812746	654180720	/nfs/dbraw/zinc/18/07/20/654180720.db2.gz	MNQNCAZWXVZPSS-SNVBAGLBSA-N	0	1	379.841	2.492	20	5		GEBDMN
CCN(C)C(=O)[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(C)C	ZINC000831977247	654221680	/nfs/dbraw/zinc/22/16/80/654221680.db2.gz	VRPUUBRMVIVKMM-ZDUSSCGKSA-N	0	1	395.840	2.169	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCC2(CF)CCOCC2)c1	ZINC000832180438	654243011	/nfs/dbraw/zinc/24/30/11/654243011.db2.gz	SOFNKMVUZFTERZ-UHFFFAOYSA-N	0	1	384.788	2.432	20	5		GEBDMN
C[C@@H]1[C@H](C)N(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])CCN1C	ZINC000802994277	654254744	/nfs/dbraw/zinc/25/47/44/654254744.db2.gz	UHXQSZQALCIVNI-NEPJUHHUSA-N	0	1	399.289	2.345	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]([C@H]2CCOC2)C(F)(F)F)c1C	ZINC000921860975	654333940	/nfs/dbraw/zinc/33/39/40/654333940.db2.gz	HOZRCGGDVSWHGM-GWCFXTLKSA-N	0	1	382.360	2.457	20	5		GEBDMN
O=[N+]([O-])c1cc(I)cc(CNCC2OCCCO2)c1	ZINC000922281052	654381328	/nfs/dbraw/zinc/38/13/28/654381328.db2.gz	QIVQXHUBJCZIMC-UHFFFAOYSA-N	0	1	378.166	2.052	20	5		GEBDMN
Cn1cc(CNCCc2cccc([N+](=O)[O-])c2)c(I)n1	ZINC000894367474	654470009	/nfs/dbraw/zinc/47/00/09/654470009.db2.gz	SEDAWIWZBAOWKF-UHFFFAOYSA-N	0	1	386.193	2.265	20	5		GEBDMN
C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1(Br)CC1	ZINC000926150303	654560981	/nfs/dbraw/zinc/56/09/81/654560981.db2.gz	ITLJPBLXEGNXDJ-SNVBAGLBSA-N	0	1	377.260	2.274	20	5		GEBDMN
O=C(c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CC[C@H](N2CC[C@@H](O)C2)C1	ZINC000908201951	654612985	/nfs/dbraw/zinc/61/29/85/654612985.db2.gz	NNDGMTFULYRSBP-DTWKUNHWSA-N	0	1	392.214	2.322	20	5		GEBDMN
Cn1ccnc1[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Br)cc1	ZINC000912679566	654763850	/nfs/dbraw/zinc/76/38/50/654763850.db2.gz	YEIKZMXZYAIHOW-UPJWGTAASA-N	0	1	379.214	2.053	20	5		GEBDMN
Cc1nc(Cl)nc(N2CCc3ncc(CN4CCCC4)n3CC2)c1[N+](=O)[O-]	ZINC001164734090	720550145	/nfs/dbraw/zinc/55/01/45/720550145.db2.gz	TZBMHZNPMMOOSD-UHFFFAOYSA-N	0	1	391.863	2.202	20	5		GEBDMN
O=[N+]([O-])c1cc2ccccc2nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164737892	720730967	/nfs/dbraw/zinc/73/09/67/720730967.db2.gz	DIZGMCIJJUUULC-HOTGVXAUSA-N	0	1	392.419	2.275	20	5		GEBDMN
Cn1cc(CN2CC[C@@H]3CN(c4ncc(Cl)cc4[N+](=O)[O-])C[C@H]3C2)cn1	ZINC001164771588	721077462	/nfs/dbraw/zinc/07/74/62/721077462.db2.gz	SCESOHNZPJJYLU-ZIAGYGMSSA-N	0	1	376.848	2.335	20	5		GEBDMN
Cn1cc(CN2CC[C@H]3CN(c4cc(Cl)ncc4[N+](=O)[O-])C[C@@H]3C2)cn1	ZINC001164761585	721090131	/nfs/dbraw/zinc/09/01/31/721090131.db2.gz	CAZFBSAKTFYWKA-KBPBESRZSA-N	0	1	376.848	2.335	20	5		GEBDMN
COc1cnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c([N+](=O)[O-])c1	ZINC001164904640	721530144	/nfs/dbraw/zinc/53/01/44/721530144.db2.gz	FUUAQAMSAZEPIS-YOEHRIQHSA-N	0	1	388.399	2.479	20	5		GEBDMN
O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCN(C[C@@H]4CCCO4)CC3)c2c1	ZINC001165037987	721905739	/nfs/dbraw/zinc/90/57/39/721905739.db2.gz	IKSLAVMSJIXMLJ-ZDUSSCGKSA-N	0	1	377.832	2.492	20	5		GEBDMN
O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2	ZINC001164967567	722070398	/nfs/dbraw/zinc/07/03/98/722070398.db2.gz	PZYZFCKOCBWLMB-BETUJISGSA-N	0	1	389.843	2.491	20	5		GEBDMN
O=[N+]([O-])c1ccc2nc(Cl)nc(N3C[C@H]4CN(CC5CC5)C[C@@H](C3)O4)c2c1	ZINC001164967959	722070427	/nfs/dbraw/zinc/07/04/27/722070427.db2.gz	WJSMKJJRCBHAKX-OKILXGFUSA-N	0	1	389.843	2.491	20	5		GEBDMN
O=[N+]([O-])c1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(F)c1	ZINC001164982547	722109907	/nfs/dbraw/zinc/10/99/07/722109907.db2.gz	WZROOKZCQFBGHA-QAPCUYQASA-N	0	1	387.415	2.251	20	5		GEBDMN
COc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)c(Cl)c2)cc1[N+](=O)[O-]	ZINC000031721005	531645081	/nfs/dbraw/zinc/64/50/81/531645081.db2.gz	ABXFYAGFFDGMMF-UHFFFAOYSA-N	0	1	385.785	2.157	20	5		GEBDMN
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1NS(C)(=O)=O	ZINC000032595867	531655147	/nfs/dbraw/zinc/65/51/47/531655147.db2.gz	OWMHJJBSPZELNL-UHFFFAOYSA-N	0	1	385.423	2.076	20	5		GEBDMN
CN(Cc1csc(Br)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000174752387	532077547	/nfs/dbraw/zinc/07/75/47/532077547.db2.gz	GBVFVTUESHWLSY-LLVKDONJSA-N	0	1	375.248	2.108	20	5		GEBDMN
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCN1CCc2sccc2C1	ZINC000123754982	532105821	/nfs/dbraw/zinc/10/58/21/532105821.db2.gz	AUEKWLQEJIUQCM-UHFFFAOYSA-N	0	1	385.442	2.132	20	5		GEBDMN
O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCc2nc[nH]c2C1	ZINC000590378088	532367539	/nfs/dbraw/zinc/36/75/39/532367539.db2.gz	DHRRJQNLPCNTKI-UHFFFAOYSA-N	0	1	398.160	2.121	20	5		GEBDMN
O=C(c1ccc([N+](=O)[O-])cc1I)N1CCc2nc[nH]c2C1	ZINC000590379165	532368373	/nfs/dbraw/zinc/36/83/73/532368373.db2.gz	MBFMIYKNWZXIIJ-UHFFFAOYSA-N	0	1	398.160	2.121	20	5		GEBDMN
CCOC(=O)c1c(C)[nH]nc1Cn1cc([N+](=O)[O-])c(C)c(Br)c1=O	ZINC000515673247	532371036	/nfs/dbraw/zinc/37/10/36/532371036.db2.gz	RPBXOISSEVVARR-UHFFFAOYSA-N	0	1	399.201	2.084	20	5		GEBDMN
O=C(c1cccc([N+](=O)[O-])c1Br)N1CCN(C[C@H]2CCOC2)CC1	ZINC000192362630	532402584	/nfs/dbraw/zinc/40/25/84/532402584.db2.gz	URCCZOPKYYSKNQ-GFCCVEGCSA-N	0	1	398.257	2.152	20	5		GEBDMN
Cc1nnc([C@@H](C)NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1	ZINC000591326648	532407169	/nfs/dbraw/zinc/40/71/69/532407169.db2.gz	PAVIJADYJDWRCN-ZCFIWIBFSA-N	0	1	380.304	2.345	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CC[N@H+](Cc3ccccc3)C2)s1	ZINC000192984912	532415138	/nfs/dbraw/zinc/41/51/38/532415138.db2.gz	BIQDTJMKSYYPIC-CQSZACIVSA-N	0	1	381.479	2.457	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1	ZINC000192984912	532415143	/nfs/dbraw/zinc/41/51/43/532415143.db2.gz	BIQDTJMKSYYPIC-CQSZACIVSA-N	0	1	381.479	2.457	20	5		GEBDMN
CC[C@H](NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@H](O)C(F)F	ZINC000295799902	532477405	/nfs/dbraw/zinc/47/74/05/532477405.db2.gz	SJFMXKFQPMHTFQ-XVKPBYJWSA-N	0	1	376.740	2.070	20	5		GEBDMN
O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1	ZINC000594763099	532523750	/nfs/dbraw/zinc/52/37/50/532523750.db2.gz	LUSZTFGQSREGTD-GFCCVEGCSA-N	0	1	382.829	2.200	20	5		GEBDMN
CN(C)CCN(C1CC1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000470264791	532524969	/nfs/dbraw/zinc/52/49/69/532524969.db2.gz	WPOMLQAKBZEYLC-UHFFFAOYSA-N	0	1	392.275	2.072	20	5		GEBDMN
COC[C@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc(Cl)cc1	ZINC000594779951	532527430	/nfs/dbraw/zinc/52/74/30/532527430.db2.gz	YRUODIHXUOYVGE-LBPRGKRZSA-N	0	1	385.829	2.352	20	5		GEBDMN
CO[C@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@H]1CCOC1	ZINC000594799577	532531200	/nfs/dbraw/zinc/53/12/00/532531200.db2.gz	FQAVHHQVERVDAH-QPUJVOFHSA-N	0	1	399.252	2.231	20	5		GEBDMN
Cc1nc(CN2CCN(c3c(Br)cccc3[N+](=O)[O-])CC2)n[nH]1	ZINC000596184874	532589193	/nfs/dbraw/zinc/58/91/93/532589193.db2.gz	JBBBEAZHVKVZEB-UHFFFAOYSA-N	0	1	381.234	2.106	20	5		GEBDMN
C[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ncnn1C	ZINC000474386115	532615367	/nfs/dbraw/zinc/61/53/67/532615367.db2.gz	BJHOEVGYGBSIDH-ZCFIWIBFSA-N	0	1	380.213	2.070	20	5		GEBDMN
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCO[C@H]2CCN(C)C[C@@H]21	ZINC000285685144	532698423	/nfs/dbraw/zinc/69/84/23/532698423.db2.gz	HWKVLIYMNFJJLD-GJZGRUSLSA-N	0	1	398.257	2.211	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCn2ccnc2C1	ZINC000492194320	532712935	/nfs/dbraw/zinc/71/29/35/532712935.db2.gz	QWGLQAQUNLSBQS-VIFPVBQESA-N	0	1	391.236	2.391	20	5		GEBDMN
CCn1cc(S(=O)(=O)Nc2cc(C(=O)OC)ccc2Cl)c([N+](=O)[O-])n1	ZINC000443417630	532747152	/nfs/dbraw/zinc/74/71/52/532747152.db2.gz	LTJIVHMDDQOFPH-UHFFFAOYSA-N	0	1	388.789	2.052	20	5		GEBDMN
COc1c(F)cc(S(=O)(=O)Nc2cc(C(N)=O)sc2C)cc1[N+](=O)[O-]	ZINC000614485134	532737326	/nfs/dbraw/zinc/73/73/26/532737326.db2.gz	SLNVNYONXQDCJO-UHFFFAOYSA-N	0	1	389.386	2.012	20	5		GEBDMN
CS[C@H]1CN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C[C@@H]1N1CCCC1	ZINC000332077864	532848488	/nfs/dbraw/zinc/84/84/88/532848488.db2.gz	HEGBSZSQUCSHBZ-GJZGRUSLSA-N	0	1	385.511	2.104	20	5		GEBDMN
CS[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1N1CCCC1	ZINC000332082691	532848646	/nfs/dbraw/zinc/84/86/46/532848646.db2.gz	OHDDNILELFMXQC-HZPDHXFCSA-N	0	1	385.511	2.104	20	5		GEBDMN
CCOCc1nc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)no1	ZINC000289442309	532855318	/nfs/dbraw/zinc/85/53/18/532855318.db2.gz	DWIYVFISNVXBNB-QMMMGPOBSA-N	0	1	390.805	2.207	20	5		GEBDMN
CNS(=O)(=O)[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1	ZINC000362635461	532896629	/nfs/dbraw/zinc/89/66/29/532896629.db2.gz	ALSHZCBPGDNLSN-OAHLLOKOSA-N	0	1	381.479	2.447	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)cc2F)c1C	ZINC000822270927	607328192	/nfs/dbraw/zinc/32/81/92/607328192.db2.gz	DJBMHRGFJBBXBQ-UHFFFAOYSA-N	0	1	392.372	2.332	20	5		GEBDMN
Cc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)[NH+]2CCCC2)o1	ZINC000737320576	598246832	/nfs/dbraw/zinc/24/68/32/598246832.db2.gz	RHQZXRQMSVGYOW-CQSZACIVSA-N	0	1	384.400	2.320	20	5		GEBDMN
Cc1ccnc(NC[C@H]2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)C2)c1	ZINC000737436132	598671763	/nfs/dbraw/zinc/67/17/63/598671763.db2.gz	FJCIBFLUKYODHS-CYBMUJFWSA-N	0	1	380.412	2.417	20	5		GEBDMN
C[C@@H]1CN(Cc2ccccc2)CCN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-]	ZINC000737194511	598816458	/nfs/dbraw/zinc/81/64/58/598816458.db2.gz	MUVPCOLHNRGXLX-CQSZACIVSA-N	0	1	379.424	2.486	20	5		GEBDMN
O=C([O-])c1cc(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc([N+](=O)[O-])c1	ZINC000739289197	600188196	/nfs/dbraw/zinc/18/81/96/600188196.db2.gz	BRVOXPMJSFLNAS-UHFFFAOYSA-N	0	1	398.419	2.049	20	5		GEBDMN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC000738069138	600311587	/nfs/dbraw/zinc/31/15/87/600311587.db2.gz	YEQIHPNHKUFFBJ-WCQYABFASA-N	0	1	377.397	2.117	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCC(=O)[O-])C1CCOCC1	ZINC000592397136	601048327	/nfs/dbraw/zinc/04/83/27/601048327.db2.gz	YPRBFORBXLGHOV-UHFFFAOYSA-N	0	1	379.413	2.188	20	5		GEBDMN
CC(C)C[N@H+]1CC[C@H](CNc2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000826881549	601688365	/nfs/dbraw/zinc/68/83/65/601688365.db2.gz	YNKFKVAVUXLRMQ-UONOGXRCSA-N	0	1	392.456	2.188	20	5		GEBDMN
O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1	ZINC000833117814	601740726	/nfs/dbraw/zinc/74/07/26/601740726.db2.gz	ZPIRTXLXGKPXTI-NRFANRHFSA-N	0	1	397.431	2.373	20	5		GEBDMN
O=C([O-])N1CCC([N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C2CC2)CC1	ZINC000740509020	601913525	/nfs/dbraw/zinc/91/35/25/601913525.db2.gz	XFNHEHUFZXUBCF-UHFFFAOYSA-N	0	1	386.412	2.418	20	5		GEBDMN
CN(CC1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1)C(=O)[O-]	ZINC000739657885	602705355	/nfs/dbraw/zinc/70/53/55/602705355.db2.gz	ATSGXDHDZFQDLL-MRXNPFEDSA-N	0	1	376.413	2.022	20	5		GEBDMN
C[C@@H](NC(=O)[O-])C1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1	ZINC000739030256	602707570	/nfs/dbraw/zinc/70/75/70/602707570.db2.gz	YYSNUKGRUBXOGS-WBMJQRKESA-N	0	1	376.413	2.068	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)NCC2CCCCCCC2)c1-c1nn[nH]n1	ZINC000826500115	607594982	/nfs/dbraw/zinc/59/49/82/607594982.db2.gz	LVAMETORJVNGRA-UHFFFAOYSA-N	0	1	394.457	2.414	20	5		GEBDMN
C[C@H]1CCCC[C@@H]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000824936170	607616588	/nfs/dbraw/zinc/61/65/88/607616588.db2.gz	FGHLYJOGHKRXMN-NWDGAFQWSA-N	0	1	394.457	2.270	20	5		GEBDMN
CC1(C)CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1	ZINC000824803032	607645003	/nfs/dbraw/zinc/64/50/03/607645003.db2.gz	RUNCWZPPVJYQLF-UHFFFAOYSA-N	0	1	380.430	2.022	20	5		GEBDMN
C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1	ZINC000825262261	604160637	/nfs/dbraw/zinc/16/06/37/604160637.db2.gz	AAXSLFAOKRXADR-STQMWFEESA-N	0	1	392.412	2.261	20	5		GEBDMN
C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1	ZINC000825256677	604228659	/nfs/dbraw/zinc/22/86/59/604228659.db2.gz	ZHEXNWBGEJUSCJ-XEZPLFJOSA-N	0	1	376.413	2.068	20	5		GEBDMN
C[C@H](NC(=O)[O-])[C@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1	ZINC000825256677	604228661	/nfs/dbraw/zinc/22/86/61/604228661.db2.gz	ZHEXNWBGEJUSCJ-XEZPLFJOSA-N	0	1	376.413	2.068	20	5		GEBDMN
C[C@H](Oc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1)C(=O)[O-]	ZINC000833539777	604534656	/nfs/dbraw/zinc/53/46/56/604534656.db2.gz	JBGMHTYORXLYMO-AWEZNQCLSA-N	0	1	386.408	2.164	20	5		GEBDMN
Cc1ccc2c(n1)c(=O)c(-c1nn[nH]n1)cn2Cc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000826294765	607715933	/nfs/dbraw/zinc/71/59/33/607715933.db2.gz	BOCGNTOSPCMRRG-UHFFFAOYSA-N	0	1	397.782	2.495	20	5		GEBDMN
Cc1ccc2c(n1)c(=O)c(-c1nn[nH]n1)cn2Cc1cc([N+](=O)[O-])ccc1Cl	ZINC000826295049	607718349	/nfs/dbraw/zinc/71/83/49/607718349.db2.gz	OJKJDEFDCRJCSN-UHFFFAOYSA-N	0	1	397.782	2.495	20	5		GEBDMN
C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000833627548	605166090	/nfs/dbraw/zinc/16/60/90/605166090.db2.gz	YJBYZKPBXPOJMZ-JTQLQIEISA-N	0	1	389.330	2.235	20	5		GEBDMN
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](CCC(=O)[O-])[C@@H](C)C1	ZINC000833545218	605250629	/nfs/dbraw/zinc/25/06/29/605250629.db2.gz	FOXQMQVARJFOTC-STQMWFEESA-N	0	1	381.454	2.083	20	5		GEBDMN
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](CCC(=O)[O-])[C@@H](C)C1	ZINC000833545218	605250631	/nfs/dbraw/zinc/25/06/31/605250631.db2.gz	FOXQMQVARJFOTC-STQMWFEESA-N	0	1	381.454	2.083	20	5		GEBDMN
O=C([O-])N1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000834104665	605357280	/nfs/dbraw/zinc/35/72/80/605357280.db2.gz	DUTBLLJJAFEWNP-HRCADAONSA-N	0	1	393.440	2.331	20	5		GEBDMN
CC(C)C[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1	ZINC000820069293	606735801	/nfs/dbraw/zinc/73/58/01/606735801.db2.gz	ZHEMVSVMUFNUEP-GFCCVEGCSA-N	0	1	394.457	2.222	20	5		GEBDMN
CCC[C@@H]1[C@H](C)CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000821034706	606735878	/nfs/dbraw/zinc/73/58/78/606735878.db2.gz	RPNNXLCNRXZHKD-VXGBXAGGSA-N	0	1	394.457	2.364	20	5		GEBDMN
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl	ZINC000823629988	607123373	/nfs/dbraw/zinc/12/33/73/607123373.db2.gz	OWFIIZZKQPYBDY-UHFFFAOYSA-N	0	1	398.763	2.368	20	5		GEBDMN
Cc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)c(F)c1	ZINC000822258721	607154221	/nfs/dbraw/zinc/15/42/21/607154221.db2.gz	AXWXRXFOKYRMIV-UHFFFAOYSA-N	0	1	378.345	2.023	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC1CC[NH+](Cc2ccccc2)CC1	ZINC000823619795	607161662	/nfs/dbraw/zinc/16/16/62/607161662.db2.gz	BDSCJMQTJOYWEC-UHFFFAOYSA-N	0	1	380.412	2.246	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC1CC[NH+](Cc2ccccc2)CC1	ZINC000823619795	607161665	/nfs/dbraw/zinc/16/16/65/607161665.db2.gz	BDSCJMQTJOYWEC-UHFFFAOYSA-N	0	1	380.412	2.246	20	5		GEBDMN
Cc1cccc(NC[C@H]2CCN(c3ccc(-c4nn[nH]n4)c([N+](=O)[O-])c3)C2)n1	ZINC000826299569	607841351	/nfs/dbraw/zinc/84/13/51/607841351.db2.gz	LFRNDYLEYAYDHP-CYBMUJFWSA-N	0	1	380.412	2.417	20	5		GEBDMN
CC(C)OCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1	ZINC000824315805	607842871	/nfs/dbraw/zinc/84/28/71/607842871.db2.gz	ZGWHFYFOELJXGH-UHFFFAOYSA-N	0	1	375.433	2.076	20	5		GEBDMN
CC(C)OCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1	ZINC000824315805	607842872	/nfs/dbraw/zinc/84/28/72/607842872.db2.gz	ZGWHFYFOELJXGH-UHFFFAOYSA-N	0	1	375.433	2.076	20	5		GEBDMN
Cc1cc(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc([N+](=O)[O-])c1F	ZINC000132035177	607962032	/nfs/dbraw/zinc/96/20/32/607962032.db2.gz	YYBGLMPWEIWIJC-UHFFFAOYSA-N	0	1	378.345	2.023	20	5		GEBDMN
Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](C)c1cccc(-c2nn[nH]n2)c1	ZINC000826304726	608482785	/nfs/dbraw/zinc/48/27/85/608482785.db2.gz	WDCXENUDKHSVKK-LBPRGKRZSA-N	0	1	381.396	2.373	20	5		GEBDMN
Cc1ccc2c(n1)c(=O)c(-c1nn[nH]n1)cn2Cc1ccc([N+](=O)[O-])cc1Cl	ZINC000826295046	609451052	/nfs/dbraw/zinc/45/10/52/609451052.db2.gz	OIPNZOLCTMADEX-UHFFFAOYSA-N	0	1	397.782	2.495	20	5		GEBDMN
COc1cc(S(=O)(=O)Nc2c[nH]nc2-c2nccs2)ccc1[N+](=O)[O-]	ZINC000446971609	649991498	/nfs/dbraw/zinc/99/14/98/649991498.db2.gz	GGMMXJJIWJABDG-UHFFFAOYSA-N	0	1	381.395	2.251	20	5		GEBDMN
CC(C)N1C[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1=O	ZINC000462160193	650471803	/nfs/dbraw/zinc/47/18/03/650471803.db2.gz	ANZGFLTVZQIWNW-VIFPVBQESA-N	0	1	396.252	2.189	20	5		GEBDMN
CC(C)(C)NC(=O)CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000462161110	650472260	/nfs/dbraw/zinc/47/22/60/650472260.db2.gz	CIVXPMMQPRCQQP-UHFFFAOYSA-N	0	1	398.268	2.485	20	5		GEBDMN
COCCOCCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000462483256	650481656	/nfs/dbraw/zinc/48/16/56/650481656.db2.gz	KFBGWJMGRIBINA-UHFFFAOYSA-N	0	1	387.241	2.233	20	5		GEBDMN
CCN1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@H](C)C1	ZINC000511544348	650538508	/nfs/dbraw/zinc/53/85/08/650538508.db2.gz	YNTUYZKFCKFADQ-LLVKDONJSA-N	0	1	385.262	2.322	20	5		GEBDMN
CCO[C@@H]1C[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@@H]1OC	ZINC000476215750	650546695	/nfs/dbraw/zinc/54/66/95/650546695.db2.gz	IJLHVYQKNAFJTM-JLLWLGSASA-N	0	1	399.252	2.372	20	5		GEBDMN
CCO[C@@H]1C[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@H]1OC	ZINC000476215754	650546714	/nfs/dbraw/zinc/54/67/14/650546714.db2.gz	IJLHVYQKNAFJTM-YUSALJHKSA-N	0	1	399.252	2.372	20	5		GEBDMN
Cc1cc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])n(C)n1	ZINC000515880423	650595662	/nfs/dbraw/zinc/59/56/62/650595662.db2.gz	JOBNEQADFPCRDD-UHFFFAOYSA-N	0	1	379.225	2.422	20	5		GEBDMN
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCOc1ccc(F)c(F)c1	ZINC000521665533	650618526	/nfs/dbraw/zinc/61/85/26/650618526.db2.gz	HNRCTUVHQSRCQR-UHFFFAOYSA-N	0	1	376.312	2.369	20	5		GEBDMN
C[C@@H](CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)N(C)C1CC1	ZINC000066578005	642923110	/nfs/dbraw/zinc/92/31/10/642923110.db2.gz	LXGSQSVCGCMHAQ-VIFPVBQESA-N	0	1	392.275	2.118	20	5		GEBDMN
O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@@H](O)[C@@H](O)C3)o2)c(Br)c1	ZINC000093483710	643077120	/nfs/dbraw/zinc/07/71/20/643077120.db2.gz	GPVFOVODQBMNOD-OKILXGFUSA-N	0	1	383.198	2.155	20	5		GEBDMN
CCN(CCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1	ZINC000103159619	643157026	/nfs/dbraw/zinc/15/70/26/643157026.db2.gz	KNQZDDSPIPHIFQ-UHFFFAOYSA-N	0	1	392.275	2.120	20	5		GEBDMN
C[C@@H](CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)N(C)C1CC1	ZINC000120287977	643598434	/nfs/dbraw/zinc/59/84/34/643598434.db2.gz	QDXFRQRRRFPNJU-VIFPVBQESA-N	0	1	392.275	2.118	20	5		GEBDMN
O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NC1(C(F)(F)F)CCC1)OCCO2	ZINC000544844509	650956078	/nfs/dbraw/zinc/95/60/78/650956078.db2.gz	OCCKYYCEAUZXMY-UHFFFAOYSA-N	0	1	382.316	2.129	20	5		GEBDMN
COc1cc(CN[C@H](C)C[S@](C)=O)c([N+](=O)[O-])cc1OCC(F)(F)F	ZINC000184257102	645013829	/nfs/dbraw/zinc/01/38/29/645013829.db2.gz	BBCQZLYGNYOXST-IJRMKIOGSA-N	0	1	384.376	2.401	20	5		GEBDMN
COc1cc(S(=O)(=O)Nc2ccccc2C[S@](C)=O)ccc1[N+](=O)[O-]	ZINC000545826686	650981593	/nfs/dbraw/zinc/98/15/93/650981593.db2.gz	CDJJBFUXOOWMFE-DEOSSOPVSA-N	0	1	384.435	2.283	20	5		GEBDMN
CCO[C@H]1COCC[C@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000546074650	650990529	/nfs/dbraw/zinc/99/05/29/650990529.db2.gz	GEPXDRDDIWSEGS-PWSUYJOCSA-N	0	1	399.252	2.374	20	5		GEBDMN
CC1(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[NH2+]CC1	ZINC000193375988	645268811	/nfs/dbraw/zinc/26/88/11/645268811.db2.gz	UKQKJOKYGQWHRL-UHFFFAOYSA-N	0	1	392.275	2.025	20	5		GEBDMN
Cc1[nH]nc(C(=O)N(C)C[C@H](O)c2ccccc2Br)c1[N+](=O)[O-]	ZINC000296895703	647255322	/nfs/dbraw/zinc/25/53/22/647255322.db2.gz	IVEANIXHEBYYAT-NSHDSACASA-N	0	1	383.202	2.194	20	5		GEBDMN
CS[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C[C@H]1N1CCCC1	ZINC000332071295	647409984	/nfs/dbraw/zinc/40/99/84/647409984.db2.gz	CIAPATSDTNQIDC-CABCVRRESA-N	0	1	385.511	2.104	20	5		GEBDMN
CS[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C[C@H]1N1CCCC1	ZINC000332071649	647410111	/nfs/dbraw/zinc/41/01/11/647410111.db2.gz	CNDXOWBQAVHIQZ-CABCVRRESA-N	0	1	385.511	2.104	20	5		GEBDMN
C[C@@H](CO)N1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1	ZINC000364936540	647650415	/nfs/dbraw/zinc/65/04/15/647650415.db2.gz	OSXXLVUSLRVKSK-LBPRGKRZSA-N	0	1	387.889	2.255	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)c1	ZINC000367217182	647724202	/nfs/dbraw/zinc/72/42/02/647724202.db2.gz	JVMPMNADWDTRGH-YMTOWFKASA-N	0	1	394.808	2.004	20	5		GEBDMN
COC(=O)[C@H]1C[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1	ZINC000416623190	648191166	/nfs/dbraw/zinc/19/11/66/648191166.db2.gz	XLZIMAQNBMWMBF-WRXNHJIOSA-N	0	1	383.209	2.132	20	5		GEBDMN
CCn1cc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2Cl)c([N+](=O)[O-])n1	ZINC000435726182	648786441	/nfs/dbraw/zinc/78/64/41/648786441.db2.gz	MTUKYOQRYWDLSJ-UHFFFAOYSA-N	0	1	387.805	2.224	20	5		GEBDMN
O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(O)c(Cl)c1	ZINC000436980236	648800578	/nfs/dbraw/zinc/80/05/78/648800578.db2.gz	MITHXRUMACWFQY-UHFFFAOYSA-N	0	1	384.797	2.158	20	5		GEBDMN
CSC[C@@H](CCO)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000443237725	648868312	/nfs/dbraw/zinc/86/83/12/648868312.db2.gz	JUCDXICSCCAHID-MRVPVSSYSA-N	0	1	389.282	2.294	20	5		GEBDMN
NC(=O)C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1	ZINC000549537287	651098508	/nfs/dbraw/zinc/09/85/08/651098508.db2.gz	YNYJYJAGRPIWDY-GFCCVEGCSA-N	0	1	383.813	2.143	20	5		GEBDMN
O=C1NCCc2ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc21	ZINC000735269568	651774440	/nfs/dbraw/zinc/77/44/40/651774440.db2.gz	IAOIKVCISITAQV-UHFFFAOYSA-N	0	1	381.797	2.335	20	5		GEBDMN
O=C(NCCCn1cc(Br)cn1)c1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000571594569	651842247	/nfs/dbraw/zinc/84/22/47/651842247.db2.gz	RLGZBLYMTUGMQX-UHFFFAOYSA-N	0	1	393.201	2.250	20	5		GEBDMN
COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(N)c([N+](=O)[O-])c1	ZINC000751267027	652336569	/nfs/dbraw/zinc/33/65/69/652336569.db2.gz	ARIIEVARHGIQLM-UHFFFAOYSA-N	0	1	385.785	2.418	20	5		GEBDMN
CS(=O)(=O)c1ccc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])s1	ZINC000582841107	652463555	/nfs/dbraw/zinc/46/35/55/652463555.db2.gz	YALTYNJZRJHPIN-UHFFFAOYSA-N	0	1	383.451	2.178	20	5		GEBDMN
COC(=O)[C@H](CCF)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000593631666	652630284	/nfs/dbraw/zinc/63/02/84/652630284.db2.gz	DVWYQPBUVAUYBB-QMMMGPOBSA-N	0	1	389.188	2.081	20	5		GEBDMN
CC(C)OC(=O)C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(C)C	ZINC000594487425	652663484	/nfs/dbraw/zinc/66/34/84/652663484.db2.gz	HVGKIGPZFRQPTI-GFCCVEGCSA-N	0	1	376.406	2.379	20	5		GEBDMN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)Nc2c3c(ccc2Cl)CC(C)(C)O3)n1	ZINC000600667189	652930434	/nfs/dbraw/zinc/93/04/34/652930434.db2.gz	WFLOULWQCXILBG-UHFFFAOYSA-N	0	1	386.817	2.496	20	5		GEBDMN
COCCCN(C1CCN(C)CC1)S(=O)(=O)c1cc(C)sc1[N+](=O)[O-]	ZINC000601415366	653093187	/nfs/dbraw/zinc/09/31/87/653093187.db2.gz	FFNCOUUUONZUHM-UHFFFAOYSA-N	0	1	391.515	2.086	20	5		GEBDMN
CCN1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1I	ZINC000712334382	653324007	/nfs/dbraw/zinc/32/40/07/653324007.db2.gz	IWRPCNHWDILIAK-JTQLQIEISA-N	0	1	389.193	2.023	20	5		GEBDMN
CC(C)(C)OCc1cc(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)no1	ZINC000776787242	653376913	/nfs/dbraw/zinc/37/69/13/653376913.db2.gz	IMFGONCITRQMIH-UHFFFAOYSA-N	0	1	375.428	2.438	20	5		GEBDMN
CS[C@@H]1CN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C[C@@H]1N(C)C	ZINC000779916455	653616462	/nfs/dbraw/zinc/61/64/62/653616462.db2.gz	ASQFOULEWWSEKG-NWDGAFQWSA-N	0	1	393.918	2.223	20	5		GEBDMN
Cc1nc([N+](=O)[O-])cn1CC(=O)OCc1nc2ccc(Br)cc2[nH]1	ZINC000780519442	653627178	/nfs/dbraw/zinc/62/71/78/653627178.db2.gz	BEMDCUARMAQLEB-UHFFFAOYSA-N	0	1	394.185	2.482	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000814990253	653642359	/nfs/dbraw/zinc/64/23/59/653642359.db2.gz	JIMCIGVIEUNOFG-VXGBXAGGSA-N	0	1	377.825	2.292	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CC[N@H+]2CCCC[C@H]12	ZINC000814990253	653642360	/nfs/dbraw/zinc/64/23/60/653642360.db2.gz	JIMCIGVIEUNOFG-VXGBXAGGSA-N	0	1	377.825	2.292	20	5		GEBDMN
C[C@@H](CCc1ccc(I)cc1)NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000839747530	653662331	/nfs/dbraw/zinc/66/23/31/653662331.db2.gz	IIBADQAAQNQHGZ-ZWKOPEQDSA-N	0	1	388.205	2.394	20	5		GEBDMN
Cn1ncc([N+](=O)[O-])c1NC(=O)c1sc(Br)cc1[N+](=O)[O-]	ZINC000784836736	653700033	/nfs/dbraw/zinc/70/00/33/653700033.db2.gz	BQVYYPAVVUJOKE-UHFFFAOYSA-N	0	1	376.148	2.313	20	5		GEBDMN
C[C@@H](NCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000896006275	653860631	/nfs/dbraw/zinc/86/06/31/653860631.db2.gz	JJZHSZPZQMCDOV-MWLCHTKSSA-N	0	1	377.260	2.270	20	5		GEBDMN
C[C@@H](NCc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000896006274	653860741	/nfs/dbraw/zinc/86/07/41/653860741.db2.gz	JJZHSZPZQMCDOV-KOLCDFICSA-N	0	1	377.260	2.270	20	5		GEBDMN
C[C@@H](CN1CCN(C)CC1)NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl	ZINC000896220895	653869601	/nfs/dbraw/zinc/86/96/01/653869601.db2.gz	KIISCDHAWPWTEQ-VIFPVBQESA-N	0	1	393.246	2.406	20	5		GEBDMN
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1CN(C)CCN1C	ZINC000896539990	653883466	/nfs/dbraw/zinc/88/34/66/653883466.db2.gz	CMNOWQHCPSJZBV-XHDPSFHLSA-N	0	1	399.289	2.030	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1	ZINC000884956286	653897783	/nfs/dbraw/zinc/89/77/83/653897783.db2.gz	ZQKSOAUMWPWYCL-VHSXEESVSA-N	0	1	377.825	2.292	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1	ZINC000884956286	653897784	/nfs/dbraw/zinc/89/77/84/653897784.db2.gz	ZQKSOAUMWPWYCL-VHSXEESVSA-N	0	1	377.825	2.292	20	5		GEBDMN
Cc1nn(C)c(C)c1CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000795781499	653966158	/nfs/dbraw/zinc/96/61/58/653966158.db2.gz	FEOZXOAIRHEYPW-UHFFFAOYSA-N	0	1	390.824	2.259	20	5		GEBDMN
O=C(NCc1n[nH]c([C@H]2CCCO2)n1)c1cccc([N+](=O)[O-])c1Br	ZINC000848390360	653974039	/nfs/dbraw/zinc/97/40/39/653974039.db2.gz	MTSHXPGRZLNGTF-SNVBAGLBSA-N	0	1	396.201	2.257	20	5		GEBDMN
O=[N+]([O-])c1cc2c(cc1CNCCn1cc(Br)cn1)OCCO2	ZINC000796513984	653999846	/nfs/dbraw/zinc/99/98/46/653999846.db2.gz	SFGPEIZOIMJWLG-UHFFFAOYSA-N	0	1	383.202	2.115	20	5		GEBDMN
C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CN(C)CCN1C	ZINC000900812090	654082063	/nfs/dbraw/zinc/08/20/63/654082063.db2.gz	RHHMPABZMKZIKE-BXUZGUMPSA-N	0	1	386.905	2.091	20	5		GEBDMN
O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@H]2[C@H]1CCCN2CCO	ZINC000889744994	654166354	/nfs/dbraw/zinc/16/63/54/654166354.db2.gz	QLBUUYLJAPHCSN-QWHCGFSZSA-N	0	1	398.257	2.029	20	5		GEBDMN
CC(C)c1nnc(CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[nH]1	ZINC000831834802	654212924	/nfs/dbraw/zinc/21/29/24/654212924.db2.gz	KYWIPYOPUGZSOO-UHFFFAOYSA-N	0	1	377.785	2.107	20	5		GEBDMN
C[C@@H]1[C@@H](C)N(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])CCN1C	ZINC000802994280	654254775	/nfs/dbraw/zinc/25/47/75/654254775.db2.gz	UHXQSZQALCIVNI-VXGBXAGGSA-N	0	1	399.289	2.345	20	5		GEBDMN
CN1CCC2(CCN2S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1	ZINC000907856951	654583940	/nfs/dbraw/zinc/58/39/40/654583940.db2.gz	FJYQYWSAXJUERD-UHFFFAOYSA-N	0	1	377.825	2.246	20	5		GEBDMN
COC(=O)c1ccnc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)c1[N+](=O)[O-]	ZINC001164726558	720395891	/nfs/dbraw/zinc/39/58/91/720395891.db2.gz	PNAWBUYDJHNMEA-HZPDHXFCSA-N	0	1	383.408	2.025	20	5		GEBDMN
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1	ZINC001164727871	720408676	/nfs/dbraw/zinc/40/86/76/720408676.db2.gz	SAICEVHMAWEEFH-QZTJIDSGSA-N	0	1	397.435	2.415	20	5		GEBDMN
Cn1cc(CN2CC[C@@H]3CN(c4cnc5ccc([N+](=O)[O-])cc5n4)C[C@H]3C2)cn1	ZINC001164772680	721085417	/nfs/dbraw/zinc/08/54/17/721085417.db2.gz	VRNKKQMWEUFWHY-HZPDHXFCSA-N	0	1	393.451	2.230	20	5		GEBDMN
Cc1nc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)ccc1[N+](=O)[O-]	ZINC001164894037	721383108	/nfs/dbraw/zinc/38/31/08/721383108.db2.gz	WJJRSKLYXWRBPP-YLJYHZDGSA-N	0	1	389.500	2.064	20	5		GEBDMN
CN(C)C(=O)CN1CCC2(CCCN2c2ncc(Cl)cc2[N+](=O)[O-])CC1	ZINC001165008279	721730277	/nfs/dbraw/zinc/73/02/77/721730277.db2.gz	LQEQZZTZJMOMJG-UHFFFAOYSA-N	0	1	381.864	2.166	20	5		GEBDMN
CCN1CCC[C@@H]1CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000162163756	531834773	/nfs/dbraw/zinc/83/47/73/531834773.db2.gz	DTYYKJIPPOVIDG-LLVKDONJSA-N	0	1	392.275	2.120	20	5		GEBDMN
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1CS(C)(=O)=O	ZINC000058497514	531831893	/nfs/dbraw/zinc/83/18/93/531831893.db2.gz	OWZSSENVMFGSNZ-UHFFFAOYSA-N	0	1	384.435	2.249	20	5		GEBDMN
Cc1c(Br)cc(C(=O)NC[C@H](C)N2CCN(C)CC2)cc1[N+](=O)[O-]	ZINC000121320443	532023772	/nfs/dbraw/zinc/02/37/72/532023772.db2.gz	HSXMWTNNMULZDR-NSHDSACASA-N	0	1	399.289	2.031	20	5		GEBDMN
O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC(c2nc[nH]n2)CC1	ZINC000123817720	532108613	/nfs/dbraw/zinc/10/86/13/532108613.db2.gz	KBXKWBDGDSDVSK-UHFFFAOYSA-N	0	1	380.202	2.495	20	5		GEBDMN
O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000178111974	532193715	/nfs/dbraw/zinc/19/37/15/532193715.db2.gz	HHXCUFNETUDAEC-LBPRGKRZSA-N	0	1	398.257	2.152	20	5		GEBDMN
O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H](c2nn[nH]n2)C1	ZINC000133389340	532234006	/nfs/dbraw/zinc/23/40/06/532234006.db2.gz	YHWLWPYFZHEWSE-VIFPVBQESA-N	0	1	382.833	2.260	20	5		GEBDMN
COC(=O)c1cc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])oc1C	ZINC000146732122	532298783	/nfs/dbraw/zinc/29/87/83/532298783.db2.gz	UKSJNJSFJWRSIR-UHFFFAOYSA-N	0	1	388.785	2.415	20	5		GEBDMN
CCOC(=O)c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)n[nH]1	ZINC000181749672	532306042	/nfs/dbraw/zinc/30/60/42/532306042.db2.gz	OBOLWHFLSJJMGW-UHFFFAOYSA-N	0	1	397.185	2.438	20	5		GEBDMN
CC[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1nc(C(F)(F)F)cs1	ZINC000185923190	532338971	/nfs/dbraw/zinc/33/89/71/532338971.db2.gz	YBSIABRWAWZGFC-UWVGGRQHSA-N	0	1	379.364	2.368	20	5		GEBDMN
CCn1cc(S(=O)(=O)Nc2cc3c(cc2Cl)OCCO3)c([N+](=O)[O-])n1	ZINC000559421278	532401389	/nfs/dbraw/zinc/40/13/89/532401389.db2.gz	XIDCIYKIGGIILB-UHFFFAOYSA-N	0	1	388.789	2.037	20	5		GEBDMN
CCN1CC[C@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3Br)[C@H]2C1	ZINC000295527659	532456444	/nfs/dbraw/zinc/45/64/44/532456444.db2.gz	GTWMRKWAMBCRDI-UONOGXRCSA-N	0	1	398.257	2.293	20	5		GEBDMN
CC(C)[C@](C)(NCc1cc(I)cc([N+](=O)[O-])c1)C(N)=O	ZINC000562684247	532476900	/nfs/dbraw/zinc/47/69/00/532476900.db2.gz	SLLDQJRBIOLMCP-ZDUSSCGKSA-N	0	1	391.209	2.189	20	5		GEBDMN
CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@H](c2nnc[nH]2)c2ccccc2)s1	ZINC000375179178	532539834	/nfs/dbraw/zinc/53/98/34/532539834.db2.gz	WNOKFRTVKBITGT-LBPRGKRZSA-N	0	1	379.423	2.379	20	5		GEBDMN
O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1	ZINC000594763101	532523713	/nfs/dbraw/zinc/52/37/13/532523713.db2.gz	LUSZTFGQSREGTD-LBPRGKRZSA-N	0	1	382.829	2.200	20	5		GEBDMN
CC(=O)Nc1ccc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cn1	ZINC000433365570	532566366	/nfs/dbraw/zinc/56/63/66/532566366.db2.gz	MKRYVIQXARNUER-UHFFFAOYSA-N	0	1	384.801	2.080	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]C[C@H]2CC[N@H+](C3CC3)C2)c1	ZINC000284958050	532634923	/nfs/dbraw/zinc/63/49/23/532634923.db2.gz	AHBMTOWKNOYINA-SECBINFHSA-N	0	1	377.825	2.150	20	5		GEBDMN
CCn1cc(S(=O)(=O)NCc2ccccc2C(F)(F)F)c([N+](=O)[O-])n1	ZINC000533180754	532662835	/nfs/dbraw/zinc/66/28/35/532662835.db2.gz	KWQYAFNDACTNMP-UHFFFAOYSA-N	0	1	378.332	2.309	20	5		GEBDMN
CCC[C@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)c1nn[nH]n1	ZINC000285251587	532663799	/nfs/dbraw/zinc/66/37/99/532663799.db2.gz	LOOBCSHNVKTVEC-NSHDSACASA-N	0	1	383.206	2.450	20	5		GEBDMN
Cc1cc(S(=O)(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)ccc1[N+](=O)[O-]	ZINC000477426983	532652924	/nfs/dbraw/zinc/65/29/24/532652924.db2.gz	JYQKZTBTGGOESY-UHFFFAOYSA-N	0	1	382.419	2.034	20	5		GEBDMN
O=C(N[C@@H](CO)CN1CCCCC1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-]	ZINC000298521174	532656287	/nfs/dbraw/zinc/65/62/87/532656287.db2.gz	IJUZOWRRWLNHLP-LLVKDONJSA-N	0	1	376.240	2.478	20	5		GEBDMN
Cc1cc(CNC(=O)c2cc(I)cc([N+](=O)[O-])c2)n[nH]1	ZINC000611223405	532721007	/nfs/dbraw/zinc/72/10/07/532721007.db2.gz	JVBRBYAHNYXLTD-UHFFFAOYSA-N	0	1	386.149	2.161	20	5		GEBDMN
CCOC(CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)OCC	ZINC000286228896	532735742	/nfs/dbraw/zinc/73/57/42/532735742.db2.gz	BUSCXKYPTSRNTK-UHFFFAOYSA-N	0	1	384.813	2.455	20	5		GEBDMN
C[C@@H]1CN(C)[C@@H](C)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br	ZINC000330592921	532821848	/nfs/dbraw/zinc/82/18/48/532821848.db2.gz	PENKNEFQDAMLDH-WDEREUQCSA-N	0	1	385.262	2.320	20	5		GEBDMN
Cc1nc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1[C@H](C)O	ZINC000273590389	532827530	/nfs/dbraw/zinc/82/75/30/532827530.db2.gz	QGIDKUXDJHQDAZ-JTQLQIEISA-N	0	1	385.829	2.483	20	5		GEBDMN
CS[C@@H]1CN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@H]1N1CCCC1	ZINC000332089388	532848889	/nfs/dbraw/zinc/84/88/89/532848889.db2.gz	UOYYEWUCIRQPBT-HZPDHXFCSA-N	0	1	385.511	2.104	20	5		GEBDMN
Cc1c(CNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)cnn1C	ZINC000289157059	532849160	/nfs/dbraw/zinc/84/91/60/532849160.db2.gz	NPYDVALJMOQLNV-UHFFFAOYSA-N	0	1	379.225	2.422	20	5		GEBDMN
CCc1nnc(CNS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)s1	ZINC000289587179	532859795	/nfs/dbraw/zinc/85/97/95/532859795.db2.gz	QPAFTZBKUPBSHD-UHFFFAOYSA-N	0	1	376.847	2.449	20	5		GEBDMN
Cc1nnc(CCNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)s1	ZINC000290142057	532873318	/nfs/dbraw/zinc/87/33/18/532873318.db2.gz	IEXXJJFRZSPZCY-UHFFFAOYSA-N	0	1	380.810	2.068	20	5		GEBDMN
Cc1noc([C@@H](C)NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1	ZINC000416384445	532874428	/nfs/dbraw/zinc/87/44/28/532874428.db2.gz	NTCLQPMAQHVWDL-ZCFIWIBFSA-N	0	1	380.304	2.345	20	5		GEBDMN
O=C(CN1CCN([C@H]2CCSC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000361943304	532894230	/nfs/dbraw/zinc/89/42/30/532894230.db2.gz	KUQGJAGYMXTAGC-ZDUSSCGKSA-N	0	1	384.889	2.310	20	5		GEBDMN
C[C@@H](N[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cccc([N+](=O)[O-])c1	ZINC000736132918	598960969	/nfs/dbraw/zinc/96/09/69/598960969.db2.gz	PPGGJALURZNSSE-PXAZEXFGSA-N	0	1	393.407	2.231	20	5		GEBDMN
O=C([O-])[C@H]1Cc2ccccc2C[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21	ZINC000739626609	600317646	/nfs/dbraw/zinc/31/76/46/600317646.db2.gz	UFYQAHUDSSTKEH-QGZVFWFLSA-N	0	1	397.387	2.404	20	5		GEBDMN
COc1cccc([C@H](CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)[NH+](C)C)c1	ZINC000826214242	607448882	/nfs/dbraw/zinc/44/88/82/607448882.db2.gz	FXKAJKIJEZNEGJ-KRWDZBQOSA-N	0	1	383.412	2.498	20	5		GEBDMN
COc1cccc([C@H](CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)[NH+](C)C)c1	ZINC000826214242	607448883	/nfs/dbraw/zinc/44/88/83/607448883.db2.gz	FXKAJKIJEZNEGJ-KRWDZBQOSA-N	0	1	383.412	2.498	20	5		GEBDMN
O=C([O-])CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCOCC1	ZINC000833236093	601052358	/nfs/dbraw/zinc/05/23/58/601052358.db2.gz	KPAAYZXTXMRMDD-UHFFFAOYSA-N	0	1	376.369	2.101	20	5		GEBDMN
O=C([O-])[C@@]1(NC(=O)c2ccc([N+](=O)[O-])cc2)CCC[N@@H+](Cc2ccccc2)C1	ZINC000833128507	601741542	/nfs/dbraw/zinc/74/15/42/601741542.db2.gz	IGNUJLDSPGGMFB-HXUWFJFHSA-N	0	1	383.404	2.444	20	5		GEBDMN
CCN(C1CCCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000825395821	607573477	/nfs/dbraw/zinc/57/34/77/607573477.db2.gz	WOWVOSYKXXTJBZ-UHFFFAOYSA-N	0	1	380.430	2.118	20	5		GEBDMN
CCCC[C@@H](CC)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000825259617	607583195	/nfs/dbraw/zinc/58/31/95/607583195.db2.gz	JWCSNNIOFNLSHU-LLVKDONJSA-N	0	1	382.446	2.270	20	5		GEBDMN
Cc1ccc([C@@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)s1	ZINC000826283232	607596471	/nfs/dbraw/zinc/59/64/71/607596471.db2.gz	NBBLENFOVUOBOW-SECBINFHSA-N	0	1	394.438	2.184	20	5		GEBDMN
CC(C)[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1	ZINC000824216194	607607716	/nfs/dbraw/zinc/60/77/16/607607716.db2.gz	OVTLIQUYGUTWOH-NWDGAFQWSA-N	0	1	394.457	2.268	20	5		GEBDMN
COc1cc(C[N@H+](C)[C@H]2CCN(C(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F	ZINC000829115657	603499743	/nfs/dbraw/zinc/49/97/43/603499743.db2.gz	OYQCWYQRTJCNCT-JTQLQIEISA-N	0	1	375.328	2.389	20	5		GEBDMN
COc1cc(C[N@@H+](C)[C@H]2CCN(C(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F	ZINC000829115657	603499747	/nfs/dbraw/zinc/49/97/47/603499747.db2.gz	OYQCWYQRTJCNCT-JTQLQIEISA-N	0	1	375.328	2.389	20	5		GEBDMN
CC[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1	ZINC000825192822	607642171	/nfs/dbraw/zinc/64/21/71/607642171.db2.gz	JDIQZAQFMWPYLA-WDEREUQCSA-N	0	1	380.430	2.022	20	5		GEBDMN
C[C@@H]1CCC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@@H]1CNC(=O)[O-]	ZINC000825926348	603709546	/nfs/dbraw/zinc/70/95/46/603709546.db2.gz	WNGAOAKVDBZUSE-IUODEOHRSA-N	0	1	392.412	2.261	20	5		GEBDMN
CC1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCCCC1	ZINC000824823234	607669116	/nfs/dbraw/zinc/66/91/16/607669116.db2.gz	KPDMDIRTLRDQLJ-UHFFFAOYSA-N	0	1	380.430	2.024	20	5		GEBDMN
O=C([O-])N1CCC[C@@H]1[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000834104664	605357419	/nfs/dbraw/zinc/35/74/19/605357419.db2.gz	DUTBLLJJAFEWNP-BZUAXINKSA-N	0	1	393.440	2.331	20	5		GEBDMN
O=C([O-])N[C@@H]1CCC[C@@H]2C[N@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]21	ZINC000834184410	605444608	/nfs/dbraw/zinc/44/46/08/605444608.db2.gz	GXFGIVVSZKCRLS-YYQUZTFQSA-N	0	1	388.424	2.068	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1	ZINC000833907164	605547906	/nfs/dbraw/zinc/54/79/06/605547906.db2.gz	CEHLPJGWOOJROQ-UONOGXRCSA-N	0	1	378.429	2.060	20	5		GEBDMN
O=C([O-])N1CCC2(CC[N@H+](Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C2)CC1	ZINC000834091436	605862504	/nfs/dbraw/zinc/86/25/04/605862504.db2.gz	CDKNHVZJCSFZLV-UHFFFAOYSA-N	0	1	386.412	2.277	20	5		GEBDMN
O=C([O-])N1CCC2(CC[N@@H+](Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C2)CC1	ZINC000834091436	605862506	/nfs/dbraw/zinc/86/25/06/605862506.db2.gz	CDKNHVZJCSFZLV-UHFFFAOYSA-N	0	1	386.412	2.277	20	5		GEBDMN
C[C@H](NC(=O)[O-])[C@@H]1CCC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1	ZINC000833813416	605954858	/nfs/dbraw/zinc/95/48/58/605954858.db2.gz	OTGKXAOCLNYLBI-UONOGXRCSA-N	0	1	391.428	2.162	20	5		GEBDMN
C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1	ZINC000833813416	605954861	/nfs/dbraw/zinc/95/48/61/605954861.db2.gz	OTGKXAOCLNYLBI-UONOGXRCSA-N	0	1	391.428	2.162	20	5		GEBDMN
O=C([O-])N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21	ZINC000834094813	605966327	/nfs/dbraw/zinc/96/63/27/605966327.db2.gz	GBUDUROLBXOMDS-OCCSQVGLSA-N	0	1	390.396	2.110	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000823620316	606710938	/nfs/dbraw/zinc/71/09/38/606710938.db2.gz	KEZYXSCDPMMIHQ-CQSZACIVSA-N	0	1	380.412	2.246	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H]1CCC[N@H+]1Cc1ccccc1	ZINC000823620316	606710939	/nfs/dbraw/zinc/71/09/39/606710939.db2.gz	KEZYXSCDPMMIHQ-CQSZACIVSA-N	0	1	380.412	2.246	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000823620316	606710940	/nfs/dbraw/zinc/71/09/40/606710940.db2.gz	KEZYXSCDPMMIHQ-CQSZACIVSA-N	0	1	380.412	2.246	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H]1CCC[N@H+]1Cc1ccccc1	ZINC000823620316	606710941	/nfs/dbraw/zinc/71/09/41/606710941.db2.gz	KEZYXSCDPMMIHQ-CQSZACIVSA-N	0	1	380.412	2.246	20	5		GEBDMN
C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-]	ZINC000820760961	606714995	/nfs/dbraw/zinc/71/49/95/606714995.db2.gz	UOSNWXZWAOESFY-CZUORRHYSA-N	0	1	394.439	2.492	20	5		GEBDMN
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-]	ZINC000820760961	606714997	/nfs/dbraw/zinc/71/49/97/606714997.db2.gz	UOSNWXZWAOESFY-CZUORRHYSA-N	0	1	394.439	2.492	20	5		GEBDMN
C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-]	ZINC000820760961	606714998	/nfs/dbraw/zinc/71/49/98/606714998.db2.gz	UOSNWXZWAOESFY-CZUORRHYSA-N	0	1	394.439	2.492	20	5		GEBDMN
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-]	ZINC000820760961	606715000	/nfs/dbraw/zinc/71/50/00/606715000.db2.gz	UOSNWXZWAOESFY-CZUORRHYSA-N	0	1	394.439	2.492	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H]2C2CCCC2)c1-c1nn[nH]n1	ZINC000823646882	606733599	/nfs/dbraw/zinc/73/35/99/606733599.db2.gz	CCDCCJDYDLGVFT-GFCCVEGCSA-N	0	1	392.441	2.118	20	5		GEBDMN
CC(C)[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1	ZINC000820039048	606733731	/nfs/dbraw/zinc/73/37/31/606733731.db2.gz	UONFPOMIOVHJFP-GFCCVEGCSA-N	0	1	394.457	2.222	20	5		GEBDMN
CC[C@H](C)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000820860253	606734255	/nfs/dbraw/zinc/73/42/55/606734255.db2.gz	IOHLACPZSBWPEE-RYUDHWBXSA-N	0	1	394.457	2.364	20	5		GEBDMN
CCc1ccc([C@@H](CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])[NH+](C)C)cc1	ZINC000821480779	607162780	/nfs/dbraw/zinc/16/27/80/607162780.db2.gz	FAFWGXGWJHKNJA-OAHLLOKOSA-N	0	1	382.428	2.447	20	5		GEBDMN
CCc1ccc([C@@H](CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])[NH+](C)C)cc1	ZINC000821480779	607162781	/nfs/dbraw/zinc/16/27/81/607162781.db2.gz	FAFWGXGWJHKNJA-OAHLLOKOSA-N	0	1	382.428	2.447	20	5		GEBDMN
COc1ccc(NC(=O)CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)c([N+](=O)[O-])c1	ZINC000826209768	608469643	/nfs/dbraw/zinc/46/96/43/608469643.db2.gz	PMMHYZAJZPHXPC-LLVKDONJSA-N	0	1	397.395	2.073	20	5		GEBDMN
Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1cccc(-c2nn[nH]n2)c1	ZINC000826272636	608487934	/nfs/dbraw/zinc/48/79/34/608487934.db2.gz	UGZYZRZPKSSPSN-GFCCVEGCSA-N	0	1	381.396	2.373	20	5		GEBDMN
CC[C@@H](NCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1	ZINC000825139668	608552275	/nfs/dbraw/zinc/55/22/75/608552275.db2.gz	GGEUPEHNOYTORV-MRXNPFEDSA-N	0	1	381.396	2.454	20	5		GEBDMN
O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CCCCN1CCO	ZINC000452795645	650197730	/nfs/dbraw/zinc/19/77/30/650197730.db2.gz	JQWLXRRYEBHRHX-CYBMUJFWSA-N	0	1	387.889	2.303	20	5		GEBDMN
C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1nncn1C	ZINC000462532640	650483168	/nfs/dbraw/zinc/48/31/68/650483168.db2.gz	QOMXNKCUXCOTDM-LURJTMIESA-N	0	1	380.213	2.070	20	5		GEBDMN
CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1	ZINC000476263455	650547591	/nfs/dbraw/zinc/54/75/91/650547591.db2.gz	WBOHXWUKZNGQPS-UHFFFAOYSA-N	0	1	384.435	2.498	20	5		GEBDMN
O=C([O-])C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cccc(Br)c1	ZINC000518782870	650607698	/nfs/dbraw/zinc/60/76/98/650607698.db2.gz	PAZQZSCCWAQNSB-UHFFFAOYSA-N	0	1	383.202	2.141	20	5		GEBDMN
Cn1cnc([N+](=O)[O-])c1NCc1n[nH]c(-c2ccc(Br)cc2)n1	ZINC000524222748	650639464	/nfs/dbraw/zinc/63/94/64/650639464.db2.gz	LXOHFPLDBXSVDP-UHFFFAOYSA-N	0	1	378.190	2.488	20	5		GEBDMN
Cn1cnc([N+](=O)[O-])c1NCc1nc(-c2ccc(Br)cc2)n[nH]1	ZINC000524222748	650639466	/nfs/dbraw/zinc/63/94/66/650639466.db2.gz	LXOHFPLDBXSVDP-UHFFFAOYSA-N	0	1	378.190	2.488	20	5		GEBDMN
C[C@H]1CCN(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1	ZINC000533328759	650759868	/nfs/dbraw/zinc/75/98/68/650759868.db2.gz	WHVKROZSDOFUEV-JTQLQIEISA-N	0	1	381.376	2.234	20	5		GEBDMN
COC(=O)[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C)c1cccs1	ZINC000493952062	650799387	/nfs/dbraw/zinc/79/93/87/650799387.db2.gz	HDIXGGZRXAZWKJ-CQSZACIVSA-N	0	1	384.435	2.466	20	5		GEBDMN
O=C(Nc1cc([N+](=O)[O-])ccc1F)c1nc2ncc(Br)cn2n1	ZINC000098100274	643102492	/nfs/dbraw/zinc/10/24/92/643102492.db2.gz	ASWUOBSFBFEZDO-UHFFFAOYSA-N	0	1	381.121	2.186	20	5		GEBDMN
Cc1cc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)c(C)c2)ccc1[N+](=O)[O-]	ZINC000498487231	650858642	/nfs/dbraw/zinc/85/86/42/650858642.db2.gz	JUMKGIRPTYUUPQ-UHFFFAOYSA-N	0	1	384.435	2.416	20	5		GEBDMN
O=[N+]([O-])c1cccc(CNCCNS(=O)(=O)c2ccc(Cl)s2)c1	ZINC000127781210	643785064	/nfs/dbraw/zinc/78/50/64/643785064.db2.gz	RFECFGRRFNZDDU-UHFFFAOYSA-N	0	1	375.859	2.378	20	5		GEBDMN
CCN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1	ZINC000163207459	644252911	/nfs/dbraw/zinc/25/29/11/644252911.db2.gz	XFASFAVKZVSJRI-UHFFFAOYSA-N	0	1	381.376	2.376	20	5		GEBDMN
O=c1[nH]cc(C(F)(F)F)cc1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000180067057	644486722	/nfs/dbraw/zinc/48/67/22/644486722.db2.gz	XTHVCARHUWZJOE-UHFFFAOYSA-N	0	1	381.263	2.242	20	5		GEBDMN
O=C(Nc1n[nH]c(-c2ccc(Br)cc2)n1)c1n[nH]cc1[N+](=O)[O-]	ZINC000183153305	644981877	/nfs/dbraw/zinc/98/18/77/644981877.db2.gz	TUCXOVGTKYJNCV-UHFFFAOYSA-N	0	1	378.146	2.118	20	5		GEBDMN
Cc1noc(C)c1CNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000194450250	645328925	/nfs/dbraw/zinc/32/89/25/645328925.db2.gz	HSPYIBPNYUJWDM-UHFFFAOYSA-N	0	1	390.215	2.441	20	5		GEBDMN
CC(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1Br)N1CCN(C)CC1	ZINC000267231114	645889868	/nfs/dbraw/zinc/88/98/68/645889868.db2.gz	KZRAMLVKSPLDGO-CQSZACIVSA-N	0	1	386.294	2.436	20	5		GEBDMN
O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)c1n[nH]cc1[N+](=O)[O-]	ZINC000279175543	646582246	/nfs/dbraw/zinc/58/22/46/646582246.db2.gz	HUOBWEWYWUTXTQ-SNVBAGLBSA-N	0	1	380.202	2.089	20	5		GEBDMN
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1noc(-c2cccs2)n1	ZINC000555946115	651233989	/nfs/dbraw/zinc/23/39/89/651233989.db2.gz	ZNXDCZJXKMGVFQ-UHFFFAOYSA-N	0	1	384.370	2.324	20	5		GEBDMN
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2nn[nH]n2)C1	ZINC000565646741	651595339	/nfs/dbraw/zinc/59/53/39/651595339.db2.gz	DJOXMBSUFBGNHF-VIFPVBQESA-N	0	1	395.217	2.199	20	5		GEBDMN
O=C([O-])[C@@H]1Cc2c(Br)cccc2C[N@@H+]1CCn1ccc([N+](=O)[O-])n1	ZINC000566368599	651609079	/nfs/dbraw/zinc/60/90/79/651609079.db2.gz	YXSYFUAYQOJQIV-ZDUSSCGKSA-N	0	1	395.213	2.065	20	5		GEBDMN
O=C([O-])[C@@H]1Cc2c(Br)cccc2C[N@H+]1CCn1ccc([N+](=O)[O-])n1	ZINC000566368599	651609081	/nfs/dbraw/zinc/60/90/81/651609081.db2.gz	YXSYFUAYQOJQIV-ZDUSSCGKSA-N	0	1	395.213	2.065	20	5		GEBDMN
O=C(NCc1c[nH]nn1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1	ZINC000610494431	651665959	/nfs/dbraw/zinc/66/59/59/651665959.db2.gz	GWTAVBLEZYSNLE-UHFFFAOYSA-N	0	1	382.167	2.135	20	5		GEBDMN
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H](CO)c1cc(F)ccc1F	ZINC000611019582	651700644	/nfs/dbraw/zinc/70/06/44/651700644.db2.gz	OPZUUOSLAHKQQA-LBPRGKRZSA-N	0	1	376.312	2.024	20	5		GEBDMN
C[C@H](Cc1ccsc1)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000571752755	651851444	/nfs/dbraw/zinc/85/14/44/651851444.db2.gz	QZOASIQXXKVJJW-CYBMUJFWSA-N	0	1	383.495	2.498	20	5		GEBDMN
CSC1(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CCN(C)CC1	ZINC000573618591	651969426	/nfs/dbraw/zinc/96/94/26/651969426.db2.gz	UZBCCAHYOYSFFS-UHFFFAOYSA-N	0	1	379.529	2.299	20	5		GEBDMN
Nc1ccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cc1[N+](=O)[O-]	ZINC000743251190	652015347	/nfs/dbraw/zinc/01/53/47/652015347.db2.gz	NYWAFZLEYVRCHZ-UHFFFAOYSA-N	0	1	384.757	2.066	20	5		GEBDMN
O=[N+]([O-])c1cnc(N2CCC[C@H](N3CCOCC3)CC2)c(Br)c1	ZINC000574703862	652037548	/nfs/dbraw/zinc/03/75/48/652037548.db2.gz	OKYMHKQQVVBZGS-LBPRGKRZSA-N	0	1	385.262	2.443	20	5		GEBDMN
CN(CCn1cc(Br)cn1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21	ZINC000580746597	652391086	/nfs/dbraw/zinc/39/10/86/652391086.db2.gz	SPNCSMDSIMTCDP-UHFFFAOYSA-N	0	1	393.201	2.202	20	5		GEBDMN
O=c1c([N+](=O)[O-])cn(Cc2nc3ccc(Br)cc3[nH]2)cc1[N+](=O)[O-]	ZINC000758410329	652540447	/nfs/dbraw/zinc/54/04/47/652540447.db2.gz	KEESJAFEYNIJNQ-UHFFFAOYSA-N	0	1	394.141	2.352	20	5		GEBDMN
Cc1cc(CNCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cnc1Cl	ZINC000760662259	652620004	/nfs/dbraw/zinc/62/00/04/652620004.db2.gz	IDIWWXIOTAIXHK-UHFFFAOYSA-N	0	1	384.845	2.020	20	5		GEBDMN
Cc1cc(N2CCN(Cc3nnc[nH]3)CC2)c(Br)cc1[N+](=O)[O-]	ZINC000593509621	652623253	/nfs/dbraw/zinc/62/32/53/652623253.db2.gz	YICRBWNARUYAHG-UHFFFAOYSA-N	0	1	381.234	2.106	20	5		GEBDMN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCCCOc2ccc(Cl)cc2)n1	ZINC000599210019	652854465	/nfs/dbraw/zinc/85/44/65/652854465.db2.gz	XLZFEEZXTYKANR-UHFFFAOYSA-N	0	1	388.833	2.119	20	5		GEBDMN
CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)cc1	ZINC000768865127	653133243	/nfs/dbraw/zinc/13/32/43/653133243.db2.gz	HRKWCCIOGQLZON-UHFFFAOYSA-N	0	1	390.826	2.453	20	5		GEBDMN
CCOC(=O)[C@@H](CC1CC1)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000809823837	653302497	/nfs/dbraw/zinc/30/24/97/653302497.db2.gz	GEPAZISWFFUJLD-LLVKDONJSA-N	0	1	394.808	2.397	20	5		GEBDMN
O=C1O[C@H](CNCc2cc(Br)c([N+](=O)[O-])s2)CN1C1CC1	ZINC000877621131	653614290	/nfs/dbraw/zinc/61/42/90/653614290.db2.gz	OIUZSGFRJIVLOS-MRVPVSSYSA-N	0	1	376.232	2.492	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H](O)c2cccc(Cl)c2)cc1	ZINC000783909826	653686762	/nfs/dbraw/zinc/68/67/62/653686762.db2.gz	PTHNKHFJUPHSOW-MRXNPFEDSA-N	0	1	384.841	2.345	20	5		GEBDMN
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000841009367	653704970	/nfs/dbraw/zinc/70/49/70/653704970.db2.gz	NTBZDVVGFMMVDG-DGCLKSJQSA-N	0	1	387.845	2.118	20	5		GEBDMN
O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@@H](c3nc[nH]n3)C2)c(Cl)cc1Cl	ZINC000819910393	653762033	/nfs/dbraw/zinc/76/20/33/653762033.db2.gz	AEEDMKWWULAIEU-SSDOTTSWSA-N	0	1	392.224	2.198	20	5		GEBDMN
CN1C[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)[C@@H]2C1	ZINC000819912288	653762164	/nfs/dbraw/zinc/76/21/64/653762164.db2.gz	RIEGEMGLDALJFX-TVQRCGJNSA-N	0	1	377.825	2.102	20	5		GEBDMN
C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1	ZINC000842699321	653763623	/nfs/dbraw/zinc/76/36/23/653763623.db2.gz	KULXWPARDPOXIL-NXEZZACHSA-N	0	1	392.275	2.024	20	5		GEBDMN
O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC(C2N=NC(=O)O2)CC1	ZINC000820069431	653766210	/nfs/dbraw/zinc/76/62/10/653766210.db2.gz	YLNBQWLVHPPSLL-UHFFFAOYSA-N	0	1	397.185	2.466	20	5		GEBDMN
O=C(NCC1CN(c2c(Br)cccc2[N+](=O)[O-])C1)C(F)(F)F	ZINC000866294060	653790473	/nfs/dbraw/zinc/79/04/73/653790473.db2.gz	KHHOIQYROWBKHP-UHFFFAOYSA-N	0	1	382.136	2.472	20	5		GEBDMN
Cn1cccc(NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)c1=O	ZINC000821177519	653792370	/nfs/dbraw/zinc/79/23/70/653792370.db2.gz	GDMAJBNKGBJFTN-UHFFFAOYSA-N	0	1	378.193	2.401	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000884957332	653898096	/nfs/dbraw/zinc/89/80/96/653898096.db2.gz	OHDPLSHSTPVLEP-VHSXEESVSA-N	0	1	377.825	2.292	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CC[N@H+]2CCC[C@@H]2C1	ZINC000884957332	653898097	/nfs/dbraw/zinc/89/80/97/653898097.db2.gz	OHDPLSHSTPVLEP-VHSXEESVSA-N	0	1	377.825	2.292	20	5		GEBDMN
CCC[C@](C)(NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)OC	ZINC000795786992	653966361	/nfs/dbraw/zinc/96/63/61/653966361.db2.gz	QCZACPIFYDVKEP-ZDUSSCGKSA-N	0	1	382.797	2.397	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-][C@H]2CC[N@@H+]3CCCC[C@@H]23)c1	ZINC000795796333	653967272	/nfs/dbraw/zinc/96/72/72/653967272.db2.gz	OHRDPRBDMYLUES-RYUDHWBXSA-N	0	1	377.825	2.292	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-][C@H]2CC[N@H+]3CCCC[C@@H]23)c1	ZINC000795796333	653967275	/nfs/dbraw/zinc/96/72/75/653967275.db2.gz	OHRDPRBDMYLUES-RYUDHWBXSA-N	0	1	377.825	2.292	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCc2nc(C3CC3)no2)c1	ZINC000795805937	653967706	/nfs/dbraw/zinc/96/77/06/653967706.db2.gz	PJEYZPBCFFXNPU-UHFFFAOYSA-N	0	1	376.753	2.126	20	5		GEBDMN
CC(C)OC(=O)[C@@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000795863377	653972242	/nfs/dbraw/zinc/97/22/42/653972242.db2.gz	DQULUQRFNVKTCK-QMMMGPOBSA-N	0	1	382.797	2.253	20	5		GEBDMN
C[NH+](C)[C@]1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CCSC1	ZINC000795872463	653973474	/nfs/dbraw/zinc/97/34/74/653973474.db2.gz	HVBKJTRFAUYGAX-ZDUSSCGKSA-N	0	1	397.881	2.103	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCCc2ccc(CO)cc2)c1	ZINC000795915099	653977265	/nfs/dbraw/zinc/97/72/65/653977265.db2.gz	PODXFJHLMJRSGB-UHFFFAOYSA-N	0	1	388.804	2.401	20	5		GEBDMN
C[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1CN(C)CCN1C	ZINC000900810942	654081994	/nfs/dbraw/zinc/08/19/94/654081994.db2.gz	IVBYFZVIOZQWLF-TVQRCGJNSA-N	0	1	375.256	2.266	20	5		GEBDMN
Nc1c(Br)cc(Br)cc1CNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000830246649	654107675	/nfs/dbraw/zinc/10/76/75/654107675.db2.gz	BRTKEHFFSZUIQU-VXNVDRBHSA-N	0	1	393.035	2.075	20	5		GEBDMN
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N[C@@H](CO)CC(F)(F)F)c1Cl	ZINC000830958705	654152760	/nfs/dbraw/zinc/15/27/60/654152760.db2.gz	WTQYORLJRVUHNI-RXMQYKEDSA-N	0	1	397.158	2.493	20	5		GEBDMN
O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@H]2[C@@H]1CCCN2CCO	ZINC000889767604	654170647	/nfs/dbraw/zinc/17/06/47/654170647.db2.gz	IDIOFLUYUMKGOW-KBPBESRZSA-N	0	1	398.257	2.029	20	5		GEBDMN
CCN1CCN(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])C[C@@H]1C	ZINC000802862746	654247347	/nfs/dbraw/zinc/24/73/47/654247347.db2.gz	GOASNOYNWXMMGU-LBPRGKRZSA-N	0	1	399.289	2.346	20	5		GEBDMN
C[C@@H]1CN(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])[C@H](C)CN1C	ZINC000802979425	654253601	/nfs/dbraw/zinc/25/36/01/654253601.db2.gz	YNCKWLBUPWCJOS-VXGBXAGGSA-N	0	1	399.289	2.345	20	5		GEBDMN
C[C@H](Cc1cnn(C)c1)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000832462268	654267986	/nfs/dbraw/zinc/26/79/86/654267986.db2.gz	CMOBGQYAYURPEZ-MRVPVSSYSA-N	0	1	376.797	2.030	20	5		GEBDMN
COC[C@H]1CNCCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C	ZINC000904462240	654311635	/nfs/dbraw/zinc/31/16/35/654311635.db2.gz	OZSKLOBKYHZAPG-LLVKDONJSA-N	0	1	387.234	2.118	20	5		GEBDMN
O=C1OC[C@@]2(CNCc3cc(Cl)cc(Cl)c3[N+](=O)[O-])COCCN12	ZINC000872261029	654320301	/nfs/dbraw/zinc/32/03/01/654320301.db2.gz	HNFBCNWBLAYKDL-CQSZACIVSA-N	0	1	376.196	2.212	20	5		GEBDMN
COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)n1	ZINC001164729498	720482535	/nfs/dbraw/zinc/48/25/35/720482535.db2.gz	RFCALSNDDOCCBN-HZPDHXFCSA-N	0	1	383.408	2.025	20	5		GEBDMN
O=[N+]([O-])c1cnc(N2CCc3ncc(CN4CCCC4)n3CC2)c(Cl)c1	ZINC001164734108	720551133	/nfs/dbraw/zinc/55/11/33/720551133.db2.gz	UUMSXUPRERTFNS-UHFFFAOYSA-N	0	1	376.848	2.498	20	5		GEBDMN
Cc1cc([N+](=O)[O-])c(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1Cl	ZINC001164737250	720668219	/nfs/dbraw/zinc/66/82/19/720668219.db2.gz	DUMSXUJEXGDKDC-CHWSQXEVSA-N	0	1	390.831	2.084	20	5		GEBDMN
Cc1nc(Cl)nc(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164762980	721074991	/nfs/dbraw/zinc/07/49/91/721074991.db2.gz	FPWLKYRFSUWYRB-ZIAGYGMSSA-N	0	1	391.863	2.038	20	5		GEBDMN
Cn1cc(CN2CC[C@@H]3CN(c4cnc5ccc([N+](=O)[O-])cc5n4)C[C@@H]3C2)cn1	ZINC001164772678	721086248	/nfs/dbraw/zinc/08/62/48/721086248.db2.gz	VRNKKQMWEUFWHY-CVEARBPZSA-N	0	1	393.451	2.230	20	5		GEBDMN
Cn1cc(CN2CC[C@@H]3CN(c4cc(Cl)ncc4[N+](=O)[O-])C[C@@H]3C2)cn1	ZINC001164761586	721089736	/nfs/dbraw/zinc/08/97/36/721089736.db2.gz	CAZFBSAKTFYWKA-KGLIPLIRSA-N	0	1	376.848	2.335	20	5		GEBDMN
CN(C)C(=O)CN1CCC2(CCCN2c2ncnc3cc([N+](=O)[O-])ccc32)CC1	ZINC001165011600	721735466	/nfs/dbraw/zinc/73/54/66/721735466.db2.gz	SGXHDBNAOBOOTM-UHFFFAOYSA-N	0	1	398.467	2.061	20	5		GEBDMN
Nc1cc([N+](=O)[O-])cnc1N1CCC2(CC1)COCCN(Cc1ccncc1)C2	ZINC001164961500	722059180	/nfs/dbraw/zinc/05/91/80/722059180.db2.gz	KWCMLZCARZXALW-UHFFFAOYSA-N	0	1	398.467	2.086	20	5		GEBDMN
Cc1ccnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-]	ZINC001164977266	722106593	/nfs/dbraw/zinc/10/65/93/722106593.db2.gz	FNFKRDVONFIISE-ROUUACIJSA-N	0	1	383.452	2.421	20	5		GEBDMN
Nc1cc(N)nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)n1	ZINC000006615098	531528559	/nfs/dbraw/zinc/52/85/59/531528559.db2.gz	IVPYXIWJWOIIHL-UHFFFAOYSA-N	0	1	399.230	2.043	20	5		GEBDMN
NC(=O)[C@H]1CCCC[C@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000152136763	531532031	/nfs/dbraw/zinc/53/20/31/531532031.db2.gz	XJISZUXNFUAFQR-WCBMZHEXSA-N	0	1	396.252	2.224	20	5		GEBDMN
CC1(C)CN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)CCN1	ZINC000157211469	531733890	/nfs/dbraw/zinc/73/38/90/531733890.db2.gz	XWUOAZVBXISZAD-UHFFFAOYSA-N	0	1	389.193	2.023	20	5		GEBDMN
CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1	ZINC000055547450	531793703	/nfs/dbraw/zinc/79/37/03/531793703.db2.gz	WQKIFUVGUUAFKM-UHFFFAOYSA-N	0	1	384.435	2.498	20	5		GEBDMN
O=[N+]([O-])c1ccc(OCCNS(=O)(=O)c2c(F)cc(F)cc2F)cc1	ZINC000068940438	531907361	/nfs/dbraw/zinc/90/73/61/531907361.db2.gz	JOJDTQTVZBUOJU-UHFFFAOYSA-N	0	1	376.312	2.369	20	5		GEBDMN
O=[N+]([O-])c1cnn(C[C@@H](O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)c1	ZINC000174685007	532074577	/nfs/dbraw/zinc/07/45/77/532074577.db2.gz	YKHVDMKWYRAINO-GFCCVEGCSA-N	0	1	380.817	2.383	20	5		GEBDMN
O=C(CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])Nc1ccc(Cl)cc1	ZINC000123753720	532106654	/nfs/dbraw/zinc/10/66/54/532106654.db2.gz	WJFLJHUMFPXVLS-UHFFFAOYSA-N	0	1	387.776	2.304	20	5		GEBDMN
CC(C)c1ncc(CNCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1	ZINC000131695979	532202725	/nfs/dbraw/zinc/20/27/25/532202725.db2.gz	OYMNDZIOGQJJEW-UHFFFAOYSA-N	0	1	384.483	2.243	20	5		GEBDMN
O=c1[nH]cc(C(F)(F)F)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000180069496	532255922	/nfs/dbraw/zinc/25/59/22/532255922.db2.gz	OQZNFAWYWFPCDT-UHFFFAOYSA-N	0	1	381.263	2.242	20	5		GEBDMN
COc1ccsc1[C@@H](C)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000186213849	532340049	/nfs/dbraw/zinc/34/00/49/532340049.db2.gz	NSRHRUSAFWTVCK-LLVKDONJSA-N	0	1	385.467	2.294	20	5		GEBDMN
O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1nc2ccc(Br)cc2[nH]1	ZINC000464577518	532398641	/nfs/dbraw/zinc/39/86/41/532398641.db2.gz	PWIVPHJEZBDSHH-UHFFFAOYSA-N	0	1	392.169	2.034	20	5		GEBDMN
Cc1nc(CN2CCN(Cc3ccc(Br)cc3[N+](=O)[O-])CC2)n[nH]1	ZINC000591845367	532426634	/nfs/dbraw/zinc/42/66/34/532426634.db2.gz	URYZLHVITNMXLW-UHFFFAOYSA-N	0	1	395.261	2.102	20	5		GEBDMN
CN(C1CCN(C)CC1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000194189637	532443824	/nfs/dbraw/zinc/44/38/24/532443824.db2.gz	HBOHVARGQVZRIT-UHFFFAOYSA-N	0	1	392.275	2.072	20	5		GEBDMN
O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCCC[C@@H]1c1nnc[nH]1	ZINC000373930752	532478700	/nfs/dbraw/zinc/47/87/00/532478700.db2.gz	BBZPXJJPBIUVMW-SNVBAGLBSA-N	0	1	381.190	2.238	20	5		GEBDMN
COC(=O)[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)c1ccsc1	ZINC000468973526	532483873	/nfs/dbraw/zinc/48/38/73/532483873.db2.gz	NIIFKHXCWTXUHY-CQSZACIVSA-N	0	1	384.435	2.466	20	5		GEBDMN
O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCCN(CCCO)C1	ZINC000296418090	532520090	/nfs/dbraw/zinc/52/00/90/532520090.db2.gz	LCPBUPNWUQRSKV-CYBMUJFWSA-N	0	1	387.889	2.303	20	5		GEBDMN
CN1CCO[C@H]2CN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])C[C@@H]21	ZINC000471691648	532557008	/nfs/dbraw/zinc/55/70/08/532557008.db2.gz	GWUKMCYICQKABF-GJZGRUSLSA-N	0	1	393.241	2.425	20	5		GEBDMN
CN1CCO[C@H]2CN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])C[C@H]21	ZINC000471691647	532557140	/nfs/dbraw/zinc/55/71/40/532557140.db2.gz	GWUKMCYICQKABF-CABCVRRESA-N	0	1	393.241	2.425	20	5		GEBDMN
CCc1[nH]nc(C(=O)N(C)C[C@H](O)c2cccc(Br)c2)c1[N+](=O)[O-]	ZINC000298441563	532650319	/nfs/dbraw/zinc/65/03/19/532650319.db2.gz	RXPPUFAIGAZPSB-LBPRGKRZSA-N	0	1	397.229	2.448	20	5		GEBDMN
O=C(N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1n[nH]cc1[N+](=O)[O-]	ZINC000478491138	532658866	/nfs/dbraw/zinc/65/88/66/532658866.db2.gz	NXBGULABTPTIRK-SECBINFHSA-N	0	1	378.694	2.454	20	5		GEBDMN
CS[C@@H](CO)[C@@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000537042525	532701816	/nfs/dbraw/zinc/70/18/16/532701816.db2.gz	SVAMKYBMVQHSFO-LDWIPMOCSA-N	0	1	389.282	2.292	20	5		GEBDMN
COC(=O)CC1(NCc2cc(I)cc([N+](=O)[O-])c2)CC1	ZINC000575062958	532716804	/nfs/dbraw/zinc/71/68/04/532716804.db2.gz	FHNVUAWDBCQGQE-UHFFFAOYSA-N	0	1	390.177	2.385	20	5		GEBDMN
CCc1nnc([C@@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)[nH]1	ZINC000286272037	532737478	/nfs/dbraw/zinc/73/74/78/532737478.db2.gz	FAOLMKGLIFLXIC-ZCFIWIBFSA-N	0	1	377.785	2.107	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCc3[nH]ncc32)c(C(F)(F)F)c1	ZINC000290010845	532869978	/nfs/dbraw/zinc/86/99/78/532869978.db2.gz	XNAWKTSIFBZQPN-UHFFFAOYSA-N	0	1	376.316	2.478	20	5		GEBDMN
CN(CCN1CCCC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000416380639	532874060	/nfs/dbraw/zinc/87/40/60/532874060.db2.gz	CBSWJAQKPZONAQ-UHFFFAOYSA-N	0	1	381.376	2.330	20	5		GEBDMN
COCC1(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CCOCC1	ZINC000292323182	532915192	/nfs/dbraw/zinc/91/51/92/532915192.db2.gz	NWNSQXMEZHVXLE-UHFFFAOYSA-N	0	1	396.824	2.109	20	5		GEBDMN
CN1CCC[C@]2(CCN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)C2)C1	ZINC000292819745	532918894	/nfs/dbraw/zinc/91/88/94/532918894.db2.gz	NXOVRXVPYGODIO-HNNXBMFYSA-N	0	1	391.852	2.494	20	5		GEBDMN
O=C(N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@@H]1CC1[N+](=O)[O-]	ZINC000370471662	532943676	/nfs/dbraw/zinc/94/36/76/532943676.db2.gz	LPVNXMXIHWGTDD-FXPVBKGRSA-N	0	1	378.738	2.114	20	5		GEBDMN
O=C([O-])[C@H]1CC[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1	ZINC000819151747	597536171	/nfs/dbraw/zinc/53/61/71/597536171.db2.gz	VXRVEDSNLFGZBP-NSHDSACASA-N	0	1	376.394	2.063	20	5		GEBDMN
O=C([O-])[C@H]1CC[N@@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1	ZINC000819151747	597536172	/nfs/dbraw/zinc/53/61/72/597536172.db2.gz	VXRVEDSNLFGZBP-NSHDSACASA-N	0	1	376.394	2.063	20	5		GEBDMN
C[C@@H](NC(=O)c1ccc(NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000736656341	599762666	/nfs/dbraw/zinc/76/26/66/599762666.db2.gz	JZOZXVRLXNGHLW-HZSPNIEDSA-N	0	1	392.456	2.473	20	5		GEBDMN
COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC3(C[C@@H]3C(=O)[O-])CC2)c([N+](=O)[O-])c1	ZINC000738025163	600309377	/nfs/dbraw/zinc/30/93/77/600309377.db2.gz	GJGMNTGDHMNHOB-DGCLKSJQSA-N	0	1	377.397	2.117	20	5		GEBDMN
CCOc1ccc(NC(=O)C[NH+]2CCC3(C[C@H]3C(=O)[O-])CC2)c([N+](=O)[O-])c1	ZINC000737203448	600311778	/nfs/dbraw/zinc/31/17/78/600311778.db2.gz	MWWNMPWOWYWIPW-ZDUSSCGKSA-N	0	1	377.397	2.119	20	5		GEBDMN
O=C([O-])N1CCC([N@H+](Cn2cc(Br)c([N+](=O)[O-])n2)C2CC2)CC1	ZINC000740504873	601913334	/nfs/dbraw/zinc/91/33/34/601913334.db2.gz	HCUVXSCTRBPGPL-UHFFFAOYSA-N	0	1	388.222	2.118	20	5		GEBDMN
O=C([O-])N1CCC([N@@H+](Cn2cc(Br)c([N+](=O)[O-])n2)C2CC2)CC1	ZINC000740504873	601913337	/nfs/dbraw/zinc/91/33/37/601913337.db2.gz	HCUVXSCTRBPGPL-UHFFFAOYSA-N	0	1	388.222	2.118	20	5		GEBDMN
CCCC[C@H](CC)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000825259620	607583602	/nfs/dbraw/zinc/58/36/02/607583602.db2.gz	JWCSNNIOFNLSHU-NSHDSACASA-N	0	1	382.446	2.270	20	5		GEBDMN
C[C@H](NC(=O)[O-])[C@@H]1CCCC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21	ZINC000739010541	602991494	/nfs/dbraw/zinc/99/14/94/602991494.db2.gz	OHKRRNMCWYGXHZ-JSGCOSHPSA-N	0	1	392.412	2.403	20	5		GEBDMN
CCN([C@@H]1CCCC[C@@H]1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000825394383	607604657	/nfs/dbraw/zinc/60/46/57/607604657.db2.gz	BIYHHXSJEISXJY-NWDGAFQWSA-N	0	1	394.457	2.364	20	5		GEBDMN
CC[C@H](C)[C@H](C)N(C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000825060209	607608049	/nfs/dbraw/zinc/60/80/49/607608049.db2.gz	OQTNNTVNDXJSDT-QWRGUYRKSA-N	0	1	394.457	2.363	20	5		GEBDMN
CCC(CC)(CC)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000825089729	607670696	/nfs/dbraw/zinc/67/06/96/607670696.db2.gz	MAYDNCZFLZRSMY-UHFFFAOYSA-N	0	1	382.446	2.270	20	5		GEBDMN
C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@@H]2C1	ZINC000833790544	605445289	/nfs/dbraw/zinc/44/52/89/605445289.db2.gz	PHYZAFWQCFLVEK-RQJABVFESA-N	0	1	376.413	2.290	20	5		GEBDMN
COCC[C@]1(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCOC1	ZINC000445081932	649957773	/nfs/dbraw/zinc/95/77/73/649957773.db2.gz	VQJVTNZXHFUVJS-ZDUSSCGKSA-N	0	1	399.252	2.376	20	5		GEBDMN
O=C([O-])N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CN1CCN(c2ccccc2[N+](=O)[O-])C1=O	ZINC000834095899	605944159	/nfs/dbraw/zinc/94/41/59/605944159.db2.gz	PJDFFRHZLPJFEG-KGLIPLIRSA-N	0	1	389.412	2.011	20	5		GEBDMN
O=C([O-])N1CC[C@H]2CC[C@@H](C1)[N@H+]2CN1CCN(c2ccccc2[N+](=O)[O-])C1=O	ZINC000834095899	605944163	/nfs/dbraw/zinc/94/41/63/605944163.db2.gz	PJDFFRHZLPJFEG-KGLIPLIRSA-N	0	1	389.412	2.011	20	5		GEBDMN
C[C@@H]1CN(C(C)(C)CNc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)C[C@H](C)O1	ZINC000820742888	606644558	/nfs/dbraw/zinc/64/45/58/606644558.db2.gz	NGMJWDKIGZKBHO-TXEJJXNPSA-N	0	1	375.433	2.075	20	5		GEBDMN
C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-]	ZINC000820760960	606714707	/nfs/dbraw/zinc/71/47/07/606714707.db2.gz	UOSNWXZWAOESFY-CJNGLKHVSA-N	0	1	394.439	2.492	20	5		GEBDMN
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-]	ZINC000820760960	606714709	/nfs/dbraw/zinc/71/47/09/606714709.db2.gz	UOSNWXZWAOESFY-CJNGLKHVSA-N	0	1	394.439	2.492	20	5		GEBDMN
C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-]	ZINC000820760960	606714710	/nfs/dbraw/zinc/71/47/10/606714710.db2.gz	UOSNWXZWAOESFY-CJNGLKHVSA-N	0	1	394.439	2.492	20	5		GEBDMN
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-]	ZINC000820760960	606714711	/nfs/dbraw/zinc/71/47/11/606714711.db2.gz	UOSNWXZWAOESFY-CJNGLKHVSA-N	0	1	394.439	2.492	20	5		GEBDMN
C[C@H]1C[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1	ZINC000820667429	606719130	/nfs/dbraw/zinc/71/91/30/606719130.db2.gz	MFQXYXWCUXYODM-JSGCOSHPSA-N	0	1	380.412	2.245	20	5		GEBDMN
C[C@H]1C[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[N@H+]1Cc1ccccc1	ZINC000820667429	606719132	/nfs/dbraw/zinc/71/91/32/606719132.db2.gz	MFQXYXWCUXYODM-JSGCOSHPSA-N	0	1	380.412	2.245	20	5		GEBDMN
C[C@H]1C[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1	ZINC000820667429	606719134	/nfs/dbraw/zinc/71/91/34/606719134.db2.gz	MFQXYXWCUXYODM-JSGCOSHPSA-N	0	1	380.412	2.245	20	5		GEBDMN
C[C@H]1C[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[N@H+]1Cc1ccccc1	ZINC000820667429	606719136	/nfs/dbraw/zinc/71/91/36/606719136.db2.gz	MFQXYXWCUXYODM-JSGCOSHPSA-N	0	1	380.412	2.245	20	5		GEBDMN
C[C@@H]1C[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1	ZINC000820667434	606719256	/nfs/dbraw/zinc/71/92/56/606719256.db2.gz	MFQXYXWCUXYODM-TZMCWYRMSA-N	0	1	380.412	2.245	20	5		GEBDMN
C[C@@H]1C[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[N@H+]1Cc1ccccc1	ZINC000820667434	606719258	/nfs/dbraw/zinc/71/92/58/606719258.db2.gz	MFQXYXWCUXYODM-TZMCWYRMSA-N	0	1	380.412	2.245	20	5		GEBDMN
C[C@@H]1C[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1	ZINC000820667434	606719259	/nfs/dbraw/zinc/71/92/59/606719259.db2.gz	MFQXYXWCUXYODM-TZMCWYRMSA-N	0	1	380.412	2.245	20	5		GEBDMN
C[C@@H]1C[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[N@H+]1Cc1ccccc1	ZINC000820667434	606719260	/nfs/dbraw/zinc/71/92/60/606719260.db2.gz	MFQXYXWCUXYODM-TZMCWYRMSA-N	0	1	380.412	2.245	20	5		GEBDMN
C[C@H](c1cccs1)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000820570107	606732374	/nfs/dbraw/zinc/73/23/74/606732374.db2.gz	DNJGFDXQWVNYTD-SECBINFHSA-N	0	1	394.438	2.218	20	5		GEBDMN
Cc1cc(C)cc(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)c1	ZINC000822196507	607155638	/nfs/dbraw/zinc/15/56/38/607155638.db2.gz	LSMPWJILWKHLCJ-UHFFFAOYSA-N	0	1	388.409	2.217	20	5		GEBDMN
Cc1ccc(C)c(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)c1	ZINC000822231768	607155948	/nfs/dbraw/zinc/15/59/48/607155948.db2.gz	GUUTWRITUCXGJI-UHFFFAOYSA-N	0	1	388.409	2.217	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H](c1ccccc1)[NH+]1CCCC1	ZINC000823620004	607163277	/nfs/dbraw/zinc/16/32/77/607163277.db2.gz	FYQZIIDVTCFQOM-HNNXBMFYSA-N	0	1	380.412	2.419	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H](c1ccccc1)[NH+]1CCCC1	ZINC000823620004	607163279	/nfs/dbraw/zinc/16/32/79/607163279.db2.gz	FYQZIIDVTCFQOM-HNNXBMFYSA-N	0	1	380.412	2.419	20	5		GEBDMN
CC(C)(C)C1=CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1	ZINC000824071592	607971797	/nfs/dbraw/zinc/97/17/97/607971797.db2.gz	KEFNNFDOIHBXBS-UHFFFAOYSA-N	0	1	392.441	2.142	20	5		GEBDMN
O=C(NCCN1CCCOCC1)Nc1cc(Br)cc([N+](=O)[O-])c1	ZINC000501086634	650387964	/nfs/dbraw/zinc/38/79/64/650387964.db2.gz	WTMFOHOTXXZGDC-UHFFFAOYSA-N	0	1	387.234	2.201	20	5		GEBDMN
O=C(CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)Nc1ccc(Br)cc1	ZINC000506110856	650443337	/nfs/dbraw/zinc/44/33/37/650443337.db2.gz	XHUPTRTVVSCMPT-UHFFFAOYSA-N	0	1	394.181	2.431	20	5		GEBDMN
CC(C)N1C[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1=O	ZINC000462160188	650471853	/nfs/dbraw/zinc/47/18/53/650471853.db2.gz	ANZGFLTVZQIWNW-SECBINFHSA-N	0	1	396.252	2.189	20	5		GEBDMN
COCCOC[C@@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000462412564	650478360	/nfs/dbraw/zinc/47/83/60/650478360.db2.gz	YOJZIFFDKOBDMR-MRVPVSSYSA-N	0	1	387.241	2.231	20	5		GEBDMN
COC(=O)c1ncsc1S(=O)(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1	ZINC000462660121	650487255	/nfs/dbraw/zinc/48/72/55/650487255.db2.gz	MWOCZXOWSJAZPE-UHFFFAOYSA-N	0	1	385.423	2.052	20	5		GEBDMN
C[S@@](=O)Cc1ccc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1	ZINC000510656184	650516055	/nfs/dbraw/zinc/51/60/55/650516055.db2.gz	DUCUPNPLPQYQFD-XMMPIXPASA-N	0	1	386.426	2.091	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1CS(C)(=O)=O	ZINC000477249457	650573170	/nfs/dbraw/zinc/57/31/70/650573170.db2.gz	MAZUEZJPINJYES-UHFFFAOYSA-N	0	1	384.435	2.249	20	5		GEBDMN
Cc1cc(S(C)(=O)=O)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C	ZINC000479281340	650600637	/nfs/dbraw/zinc/60/06/37/650600637.db2.gz	MQSLALKWHHNMST-UHFFFAOYSA-N	0	1	384.435	2.416	20	5		GEBDMN
Cc1cc(S(=O)(=O)Nc2ccccc2NS(C)(=O)=O)ccc1[N+](=O)[O-]	ZINC000524548425	650643038	/nfs/dbraw/zinc/64/30/38/650643038.db2.gz	GEVCAGFSWOFSOA-UHFFFAOYSA-N	0	1	385.423	2.076	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)NCCNCc2cc(F)cc(Cl)c2)c1	ZINC000485684440	650698726	/nfs/dbraw/zinc/69/87/26/650698726.db2.gz	LVANVWSEXYUTQA-UHFFFAOYSA-N	0	1	387.820	2.455	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)NCCNCc2ccc(Cl)c(F)c2)c1	ZINC000065978340	642893964	/nfs/dbraw/zinc/89/39/64/642893964.db2.gz	RAOAUAQDVICXLV-UHFFFAOYSA-N	0	1	387.820	2.455	20	5		GEBDMN
Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1S(C)(=O)=O	ZINC000536200388	650798515	/nfs/dbraw/zinc/79/85/15/650798515.db2.gz	XRMMDSDYUQQHHA-UHFFFAOYSA-N	0	1	384.435	2.416	20	5		GEBDMN
Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)c1	ZINC000536700153	650805750	/nfs/dbraw/zinc/80/57/50/650805750.db2.gz	POEGTYGEAGZQFH-UHFFFAOYSA-N	0	1	384.435	2.416	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](O)CS(=O)(=O)c1cccs1	ZINC000540155403	650858070	/nfs/dbraw/zinc/85/80/70/650858070.db2.gz	MAEBNDWQRKFLAS-TZMCWYRMSA-N	0	1	384.479	2.450	20	5		GEBDMN
Cn1cc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc(Br)c1=O	ZINC000127004195	643754152	/nfs/dbraw/zinc/75/41/52/643754152.db2.gz	KHEKJEKFYDBKMA-UHFFFAOYSA-N	0	1	392.169	2.185	20	5		GEBDMN
Cc1cc(Br)ccc1NC(=O)CCNC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000130812690	643851868	/nfs/dbraw/zinc/85/18/68/643851868.db2.gz	VZXDNXJWFOHSOM-UHFFFAOYSA-N	0	1	396.201	2.147	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)s1	ZINC000179704769	644469636	/nfs/dbraw/zinc/46/96/36/644469636.db2.gz	OXQJNRDKPDNNRZ-SNVBAGLBSA-N	0	1	383.455	2.220	20	5		GEBDMN
O=C(CSc1n[nH]c(=S)s1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000266948808	645866917	/nfs/dbraw/zinc/86/69/17/645866917.db2.gz	GSBKLBRLTDZQMP-UHFFFAOYSA-N	0	1	397.507	2.176	20	5		GEBDMN
COCCCN(CCO)Cc1cc(I)cc([N+](=O)[O-])c1	ZINC000289310674	646931427	/nfs/dbraw/zinc/93/14/27/646931427.db2.gz	CQZWWPWDLLFVDP-UHFFFAOYSA-N	0	1	394.209	2.030	20	5		GEBDMN
CCNC(=O)C(C)(C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000416515570	648155610	/nfs/dbraw/zinc/15/56/10/648155610.db2.gz	ACPQRTGZIOPRHF-UHFFFAOYSA-N	0	1	384.241	2.095	20	5		GEBDMN
C[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@H](C)N1C	ZINC000549963314	651104288	/nfs/dbraw/zinc/10/42/88/651104288.db2.gz	GIAXJLWABJDHIR-PHIMTYICSA-N	0	1	385.262	2.320	20	5		GEBDMN
CN[C@@H](C)c1cn(Cc2cc(I)cc([N+](=O)[O-])c2)nn1	ZINC000603237273	651473012	/nfs/dbraw/zinc/47/30/12/651473012.db2.gz	PUGAHGUIEDFRJG-QMMMGPOBSA-N	0	1	387.181	2.120	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCOc2ccc(Cl)cn2)cc1	ZINC000570274280	651757095	/nfs/dbraw/zinc/75/70/95/651757095.db2.gz	ZOWMLUJQWSZLQB-UHFFFAOYSA-N	0	1	385.829	2.086	20	5		GEBDMN
C[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCCC1	ZINC000570812134	651793642	/nfs/dbraw/zinc/79/36/42/651793642.db2.gz	JRUBQICOYPDSOI-SNVBAGLBSA-N	0	1	381.376	2.376	20	5		GEBDMN
C[C@@H](Cc1ccsc1)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000571752760	651851376	/nfs/dbraw/zinc/85/13/76/651851376.db2.gz	QZOASIQXXKVJJW-ZDUSSCGKSA-N	0	1	383.495	2.498	20	5		GEBDMN
Cc1[nH]nc(C(=O)N2CCOc3c(Br)cccc3C2)c1[N+](=O)[O-]	ZINC000619420679	652057313	/nfs/dbraw/zinc/05/73/13/652057313.db2.gz	YWLXSHIJFGLPAQ-UHFFFAOYSA-N	0	1	381.186	2.424	20	5		GEBDMN
O=C([O-])[C@@H]1Cc2c(Br)cccc2C[N@@H+]1CCn1cc([N+](=O)[O-])cn1	ZINC000578995700	652310183	/nfs/dbraw/zinc/31/01/83/652310183.db2.gz	QLTPNKXIUVDKPM-AWEZNQCLSA-N	0	1	395.213	2.065	20	5		GEBDMN
O=C([O-])[C@@H]1Cc2c(Br)cccc2C[N@H+]1CCn1cc([N+](=O)[O-])cn1	ZINC000578995700	652310187	/nfs/dbraw/zinc/31/01/87/652310187.db2.gz	QLTPNKXIUVDKPM-AWEZNQCLSA-N	0	1	395.213	2.065	20	5		GEBDMN
COc1ccccc1[C@@H](CO)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000751421990	652347290	/nfs/dbraw/zinc/34/72/90/652347290.db2.gz	FIDYHQOLNDZKFH-GFCCVEGCSA-N	0	1	386.813	2.269	20	5		GEBDMN
CNC(=O)[C@@H](NCc1cc(I)cc([N+](=O)[O-])c1)C(C)C	ZINC000582210249	652440066	/nfs/dbraw/zinc/44/00/66/652440066.db2.gz	GJCSKXCUIOBWFQ-LBPRGKRZSA-N	0	1	391.209	2.060	20	5		GEBDMN
CC(C)[C@H]([NH3+])CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000595122381	652706260	/nfs/dbraw/zinc/70/62/60/652706260.db2.gz	XWIXLSKFDJWASC-SNVBAGLBSA-N	0	1	380.264	2.009	20	5		GEBDMN
CC(C)[C@@H]1CNCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000599098782	652849123	/nfs/dbraw/zinc/84/91/23/652849123.db2.gz	AVGXYJUQCJYBFM-LBPRGKRZSA-N	0	1	381.376	2.232	20	5		GEBDMN
CC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H](O)C(F)(F)F	ZINC000765741860	652851212	/nfs/dbraw/zinc/85/12/12/652851212.db2.gz	PFNNOXKSDOCEMI-GMSGAONNSA-N	0	1	376.740	2.228	20	5		GEBDMN
CO[C@H](c1ccccc1Cl)[C@@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599274174	652857691	/nfs/dbraw/zinc/85/76/91/652857691.db2.gz	MWFYDEUVWSAQHG-RNCFNFMXSA-N	0	1	388.833	2.036	20	5		GEBDMN
CO[C@@H](c1ccccc1Cl)[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599274175	652857772	/nfs/dbraw/zinc/85/77/72/652857772.db2.gz	MWFYDEUVWSAQHG-TVQRCGJNSA-N	0	1	388.833	2.036	20	5		GEBDMN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC(C)(C)c2cccc(Cl)c2F)n1	ZINC000599281161	652858653	/nfs/dbraw/zinc/85/86/53/652858653.db2.gz	HXKBUXUYZROFOB-UHFFFAOYSA-N	0	1	390.824	2.377	20	5		GEBDMN
CN1CC[C@@H](N2CCC(Nc3ccc([N+](=O)[O-])cc3Br)CC2)C1=O	ZINC000601177232	653082496	/nfs/dbraw/zinc/08/24/96/653082496.db2.gz	RKPQMRQSCHGWLA-OAHLLOKOSA-N	0	1	397.273	2.464	20	5		GEBDMN
CS[C@@H]1CN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C[C@@H]1N1CCCC1	ZINC000601396532	653091023	/nfs/dbraw/zinc/09/10/23/653091023.db2.gz	FPPWTVNQZJWZQE-NWDGAFQWSA-N	0	1	391.540	2.165	20	5		GEBDMN
Cc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1NS(C)(=O)=O	ZINC000768882315	653135067	/nfs/dbraw/zinc/13/50/67/653135067.db2.gz	NZCZMGSFUWHLNC-UHFFFAOYSA-N	0	1	391.452	2.137	20	5		GEBDMN
CS(=O)(=O)CCc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1	ZINC000768888221	653136209	/nfs/dbraw/zinc/13/62/09/653136209.db2.gz	LENPMTJGHCKUQL-UHFFFAOYSA-N	0	1	390.464	2.044	20	5		GEBDMN
CN(Cc1ccc(Br)cc1F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000602927140	653215849	/nfs/dbraw/zinc/21/58/49/653215849.db2.gz	WKISRBKMKBTVBX-ZDUSSCGKSA-N	0	1	387.209	2.186	20	5		GEBDMN
C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C[NH+]1CCCC1	ZINC000809809192	653297286	/nfs/dbraw/zinc/29/72/86/653297286.db2.gz	KPAMXBUMZLFTGC-JTQLQIEISA-N	0	1	379.841	2.398	20	5		GEBDMN
O=[N+]([O-])c1cc(S(=O)(=O)NCC[C@@H](O)C(F)(F)F)c(Cl)cc1Cl	ZINC000809819662	653300864	/nfs/dbraw/zinc/30/08/64/653300864.db2.gz	CBXZGFWFYIKTPB-SECBINFHSA-N	0	1	397.158	2.493	20	5		GEBDMN
C[C@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000809822056	653301935	/nfs/dbraw/zinc/30/19/35/653301935.db2.gz	WBSKZJZJDAHGBM-JOYOIKCWSA-N	0	1	379.841	2.348	20	5		GEBDMN
C[NH+](C)[C@]1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCSC1	ZINC000809824882	653303053	/nfs/dbraw/zinc/30/30/53/653303053.db2.gz	WNVOAOUJQKVGLW-ZDUSSCGKSA-N	0	1	397.881	2.103	20	5		GEBDMN
CSC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[NH+](C)CC1	ZINC000810084188	653322882	/nfs/dbraw/zinc/32/28/82/653322882.db2.gz	UQEORWDYXDIDJK-UHFFFAOYSA-N	0	1	393.918	2.354	20	5		GEBDMN
CC(=O)Nc1ncc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2Cl)s1	ZINC000811831494	653408720	/nfs/dbraw/zinc/40/87/20/653408720.db2.gz	BVGCIOUCJHQAKR-UHFFFAOYSA-N	0	1	376.803	2.464	20	5		GEBDMN
C[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)N1CCCC1	ZINC000780703698	653631156	/nfs/dbraw/zinc/63/11/56/653631156.db2.gz	GRAIVQGDHXZHMT-JTQLQIEISA-N	0	1	392.275	2.120	20	5		GEBDMN
C[C@H]1CCCN1CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000780867993	653634137	/nfs/dbraw/zinc/63/41/37/653634137.db2.gz	UGXVBIZHCXTIKB-JTQLQIEISA-N	0	1	392.275	2.120	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CCC(c2nc[nH]n2)CC1	ZINC000815023676	653644952	/nfs/dbraw/zinc/64/49/52/653644952.db2.gz	DETXFVIZKRKGIW-UHFFFAOYSA-N	0	1	389.796	2.074	20	5		GEBDMN
CC(C)[C@@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1nncn1C	ZINC000815045183	653647810	/nfs/dbraw/zinc/64/78/10/653647810.db2.gz	OCBDXKSVHICUFC-GFCCVEGCSA-N	0	1	391.812	2.191	20	5		GEBDMN
O=C(NCc1cc(Br)ccc1Br)[C@@H]1CC1[N+](=O)[O-]	ZINC000839728000	653661740	/nfs/dbraw/zinc/66/17/40/653661740.db2.gz	GPENFVNNSDCCPS-PSASIEDQSA-N	0	1	378.020	2.493	20	5		GEBDMN
C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Br)cc1OCCCO	ZINC000840462233	653686043	/nfs/dbraw/zinc/68/60/43/653686043.db2.gz	JJQGBCQQNYFYOV-ZWKOPEQDSA-N	0	1	387.230	2.053	20	5		GEBDMN
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(F)cc2N2CCOCC2)cs1	ZINC000840914634	653700907	/nfs/dbraw/zinc/70/09/07/653700907.db2.gz	FTFUNZCLKAWKJE-UHFFFAOYSA-N	0	1	387.414	2.433	20	5		GEBDMN
O=C(OC[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)[C@@H]1CC1[N+](=O)[O-]	ZINC000842335440	653752915	/nfs/dbraw/zinc/75/29/15/653752915.db2.gz	AGUAVLAXTWBBJQ-ZWKOPEQDSA-N	0	1	383.198	2.010	20	5		GEBDMN
Cc1cc(=O)n(C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000795331677	653946002	/nfs/dbraw/zinc/94/60/02/653946002.db2.gz	JMRSDZMYXNSATI-UHFFFAOYSA-N	0	1	375.765	2.195	20	5		GEBDMN
CC[N@@H+]1CCC[C@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1	ZINC000795808584	653967945	/nfs/dbraw/zinc/96/79/45/653967945.db2.gz	CCFPUQDSFOHYET-SNVBAGLBSA-N	0	1	379.841	2.398	20	5		GEBDMN
CC[N@H+]1CCC[C@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1	ZINC000795808584	653967947	/nfs/dbraw/zinc/96/79/47/653967947.db2.gz	CCFPUQDSFOHYET-SNVBAGLBSA-N	0	1	379.841	2.398	20	5		GEBDMN
CCC(CC)(NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)OC	ZINC000795865387	653972623	/nfs/dbraw/zinc/97/26/23/653972623.db2.gz	YIVARFHJCSARPT-UHFFFAOYSA-N	0	1	382.797	2.397	20	5		GEBDMN
CCOC(=O)[C@H](CC1CC1)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000795872604	653973460	/nfs/dbraw/zinc/97/34/60/653973460.db2.gz	JKYCXNZHOKJUQO-NSHDSACASA-N	0	1	394.808	2.397	20	5		GEBDMN
CCOC(=O)CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000795903408	653976581	/nfs/dbraw/zinc/97/65/81/653976581.db2.gz	WWZBBLFIYXXQGX-MRVPVSSYSA-N	0	1	382.797	2.397	20	5		GEBDMN
CCOC(=O)[C@H](C)[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000795925132	653977364	/nfs/dbraw/zinc/97/73/64/653977364.db2.gz	CLIPCGDHUPZIOY-SFYZADRCSA-N	0	1	382.797	2.253	20	5		GEBDMN
COc1ccc(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)nc1	ZINC000795957112	653979971	/nfs/dbraw/zinc/97/99/71/653979971.db2.gz	PYRQXGAIMJWIRB-UHFFFAOYSA-N	0	1	375.765	2.269	20	5		GEBDMN
C[C@@H](CC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])[NH+](C)C	ZINC000849429918	654032781	/nfs/dbraw/zinc/03/27/81/654032781.db2.gz	XFQAKCQLPQJDKE-QMMMGPOBSA-N	0	1	398.254	2.115	20	5		GEBDMN
O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H]1CCCN2CCO	ZINC000889763900	654169996	/nfs/dbraw/zinc/16/99/96/654169996.db2.gz	OVXYKOZLIIUGQH-CABCVRRESA-N	0	1	398.257	2.029	20	5		GEBDMN
C[C@H]1CN(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])[C@@H](C)CN1C	ZINC000802979424	654253556	/nfs/dbraw/zinc/25/35/56/654253556.db2.gz	YNCKWLBUPWCJOS-RYUDHWBXSA-N	0	1	399.289	2.345	20	5		GEBDMN
CC(C)N1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1	ZINC000832764942	654294080	/nfs/dbraw/zinc/29/40/80/654294080.db2.gz	RRJOHWVQXXLHKZ-SNVBAGLBSA-N	0	1	379.841	2.491	20	5		GEBDMN
CC(C)N1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1	ZINC000832764248	654294129	/nfs/dbraw/zinc/29/41/29/654294129.db2.gz	KJNWOHIBLXZKFS-JTQLQIEISA-N	0	1	379.841	2.491	20	5		GEBDMN
O=[N+]([O-])c1cnc2cc(Br)ccc2c1NCCN1CCC(O)CC1	ZINC000894105420	654447185	/nfs/dbraw/zinc/44/71/85/654447185.db2.gz	ILRRNVSUZFWWKJ-UHFFFAOYSA-N	0	1	395.257	2.196	20	5		GEBDMN
COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@H]1CCN2Cc1cccnc1	ZINC001164721056	720341349	/nfs/dbraw/zinc/34/13/49/720341349.db2.gz	ABIZDSNLIDSHOB-DLBZAZTESA-N	0	1	383.408	2.025	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)c1	ZINC001164731032	720405717	/nfs/dbraw/zinc/40/57/17/720405717.db2.gz	YEVBGWBQLPNBGF-GJZGRUSLSA-N	0	1	375.816	2.130	20	5		GEBDMN
O=[N+]([O-])c1c(Cl)ccnc1N1CCc2ncc(CN3CCCC3)n2CC1	ZINC001164733762	720550777	/nfs/dbraw/zinc/55/07/77/720550777.db2.gz	RREIBUOJMCCBFI-UHFFFAOYSA-N	0	1	376.848	2.498	20	5		GEBDMN
Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)n1	ZINC001164764273	721089934	/nfs/dbraw/zinc/08/99/34/721089934.db2.gz	HCWQTRJGSAVCQD-UONOGXRCSA-N	0	1	391.863	2.038	20	5		GEBDMN
Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)n1	ZINC001164764264	721090082	/nfs/dbraw/zinc/09/00/82/721090082.db2.gz	HCWQTRJGSAVCQD-KBPBESRZSA-N	0	1	391.863	2.038	20	5		GEBDMN
Cn1cc(CN2CC[C@@H]3CN(c4cc(Cl)cc([N+](=O)[O-])n4)C[C@@H]3C2)cn1	ZINC001164761711	721110196	/nfs/dbraw/zinc/11/01/96/721110196.db2.gz	APLHYQJOQFLDSU-KGLIPLIRSA-N	0	1	376.848	2.335	20	5		GEBDMN
Cc1nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)ccc1[N+](=O)[O-]	ZINC001164893634	721383388	/nfs/dbraw/zinc/38/33/88/721383388.db2.gz	WJJRSKLYXWRBPP-FXAWDEMLSA-N	0	1	389.500	2.064	20	5		GEBDMN
O=C(N[C@@H]1CCN(c2ccccc2Br)C1)c1n[nH]cc1[N+](=O)[O-]	ZINC000155365336	531677859	/nfs/dbraw/zinc/67/78/59/531677859.db2.gz	HYNQSNCDLWOGRX-SECBINFHSA-N	0	1	380.202	2.089	20	5		GEBDMN
Cc1sc(S(=O)(=O)N(CCN(C)C)Cc2ccccn2)cc1[N+](=O)[O-]	ZINC000123827947	532109138	/nfs/dbraw/zinc/10/91/38/532109138.db2.gz	SEAVMLZTZCPUDW-UHFFFAOYSA-N	0	1	384.483	2.112	20	5		GEBDMN
Cc1sc(S(=O)(=O)NC2CCN(CCOC(C)C)CC2)cc1[N+](=O)[O-]	ZINC000124983884	532131861	/nfs/dbraw/zinc/13/18/61/532131861.db2.gz	ZEYDZZNRBBYAGN-UHFFFAOYSA-N	0	1	391.515	2.132	20	5		GEBDMN
CNC(=O)c1ccc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1	ZINC000146702167	532298758	/nfs/dbraw/zinc/29/87/58/532298758.db2.gz	BAXZQUASBKSQMR-UHFFFAOYSA-N	0	1	383.813	2.086	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@H](c2nc[nH]n2)C1	ZINC000425216922	532374539	/nfs/dbraw/zinc/37/45/39/532374539.db2.gz	SPDORASGEAVOFK-ZETCQYMHSA-N	0	1	392.224	2.198	20	5		GEBDMN
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CC[C@@](O)(C(F)(F)F)C1	ZINC000589922554	532363412	/nfs/dbraw/zinc/36/34/12/532363412.db2.gz	JBGRBZVIYDMPMP-HQJQHLMTSA-N	0	1	388.751	2.372	20	5		GEBDMN
COC(=O)[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C1CC1	ZINC000466880113	532436623	/nfs/dbraw/zinc/43/66/23/532436623.db2.gz	GWKBGPLJWROBNU-JTQLQIEISA-N	0	1	383.209	2.132	20	5		GEBDMN
Cc1cc(S(=O)(=O)Nc2ccccc2SCC(N)=O)ccc1[N+](=O)[O-]	ZINC000430072510	532489487	/nfs/dbraw/zinc/48/94/87/532489487.db2.gz	TXAXOVMLWQMWMV-UHFFFAOYSA-N	0	1	381.435	2.281	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC[C@@]1(O)CCCOC1	ZINC000593661267	532494078	/nfs/dbraw/zinc/49/40/78/532494078.db2.gz	RUKGRUMJOJFXCD-ZDUSSCGKSA-N	0	1	399.252	2.112	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CC[C@H](N3CCCC3)C2)c1	ZINC000377133320	532645298	/nfs/dbraw/zinc/64/52/98/532645298.db2.gz	ZUPDSESHZCZSIL-JTQLQIEISA-N	0	1	377.825	2.246	20	5		GEBDMN
CC(C)(C)[S@@](=O)CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000285188419	532657235	/nfs/dbraw/zinc/65/72/35/532657235.db2.gz	NLOZHZLNDNKDFP-QFIPXVFZSA-N	0	1	386.854	2.213	20	5		GEBDMN
Cc1c(NS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)cccc1[N+](=O)[O-]	ZINC000535654630	532683952	/nfs/dbraw/zinc/68/39/52/532683952.db2.gz	IJXGDZBIKQVPGT-UHFFFAOYSA-N	0	1	388.398	2.247	20	5		GEBDMN
O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H](c2nc[nH]n2)C1	ZINC000378053582	532677646	/nfs/dbraw/zinc/67/76/46/532677646.db2.gz	QRCFKBHSGMQJRE-SECBINFHSA-N	0	1	380.202	2.495	20	5		GEBDMN
CCN1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC1	ZINC000298859930	532680380	/nfs/dbraw/zinc/68/03/80/532680380.db2.gz	PENNNLZNOPKULM-UHFFFAOYSA-N	0	1	392.275	2.120	20	5		GEBDMN
Cn1cc2c(n1)CCC[C@@H]2NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000285762093	532705444	/nfs/dbraw/zinc/70/54/44/532705444.db2.gz	WDFAXJROCHVRRC-LBPRGKRZSA-N	0	1	388.808	2.477	20	5		GEBDMN
CC(C)[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])N1CCN(C)CC1	ZINC000268496374	532767455	/nfs/dbraw/zinc/76/74/55/532767455.db2.gz	QMMOGUXMLFRVLA-CQSZACIVSA-N	0	1	386.294	2.436	20	5		GEBDMN
C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)N1CCCC1	ZINC000548697506	532793208	/nfs/dbraw/zinc/79/32/08/532793208.db2.gz	GKHOIICYBPUYHX-JTQLQIEISA-N	0	1	392.275	2.120	20	5		GEBDMN
Cc1nc([C@H](C)S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])n[nH]1	ZINC000414224508	532820634	/nfs/dbraw/zinc/82/06/34/532820634.db2.gz	QTPGFQFKGCHPSM-LURJTMIESA-N	0	1	375.204	2.319	20	5		GEBDMN
CCCc1[nH]nc(C(=O)N2CCCN(c3nc(C)cs3)CC2)c1[N+](=O)[O-]	ZINC000359928682	209204258	/nfs/dbraw/zinc/20/42/58/209204258.db2.gz	XTJJWILDZNLODQ-UHFFFAOYSA-N	0	1	378.458	2.388	20	5		GEBDMN
COC(=O)[C@@H](CC(F)(F)F)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000274182815	532843379	/nfs/dbraw/zinc/84/33/79/532843379.db2.gz	KKBBNCWEDBFTHI-SSDOTTSWSA-N	0	1	390.723	2.021	20	5		GEBDMN
C[C@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCN(C)CC1	ZINC000292042560	532912243	/nfs/dbraw/zinc/91/22/43/532912243.db2.gz	XXADJOKENYYWSU-SNVBAGLBSA-N	0	1	375.256	2.267	20	5		GEBDMN
O=C(N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@@H]1CC1[N+](=O)[O-]	ZINC000370471663	532943596	/nfs/dbraw/zinc/94/35/96/532943596.db2.gz	LPVNXMXIHWGTDD-KKZNHRDASA-N	0	1	378.738	2.114	20	5		GEBDMN
COc1cc(C[N@H+]2CC[C@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OCC(F)(F)F	ZINC000820763899	598129207	/nfs/dbraw/zinc/12/92/07/598129207.db2.gz	KZXQJEAORQGLHY-VIFPVBQESA-N	0	1	378.303	2.451	20	5		GEBDMN
O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NCc1nc(-c2ccc(F)cc2)n[nH]1	ZINC000738357155	598311033	/nfs/dbraw/zinc/31/10/33/598311033.db2.gz	DGKNVZVYHXRPAW-UHFFFAOYSA-N	0	1	381.331	2.311	20	5		GEBDMN
O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NCc1n[nH]c(-c2ccc(F)cc2)n1	ZINC000738357155	598311035	/nfs/dbraw/zinc/31/10/35/598311035.db2.gz	DGKNVZVYHXRPAW-UHFFFAOYSA-N	0	1	381.331	2.311	20	5		GEBDMN
CCc1[nH]nc(C(=O)N(CC)[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1[N+](=O)[O-]	ZINC000736668443	598565453	/nfs/dbraw/zinc/56/54/53/598565453.db2.gz	XVRFMWGNFPLWNX-JTQLQIEISA-N	0	1	384.400	2.284	20	5		GEBDMN
Cc1cccc(NC[C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])C2)n1	ZINC000737399974	598671287	/nfs/dbraw/zinc/67/12/87/598671287.db2.gz	QMZLDVXSHJPSGZ-ZDUSSCGKSA-N	0	1	380.412	2.417	20	5		GEBDMN
COc1ccc(NC(=O)[C@H](C)[NH+]2CCC3(C[C@@H]3C(=O)[O-])CC2)c([N+](=O)[O-])c1	ZINC000738025164	600309770	/nfs/dbraw/zinc/30/97/70/600309770.db2.gz	GJGMNTGDHMNHOB-WCQYABFASA-N	0	1	377.397	2.117	20	5		GEBDMN
C[C@@H](NC(=O)c1ccc(N(C)CC[C@H]2CCCC[N@H+]2C)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827694422	600821030	/nfs/dbraw/zinc/82/10/30/600821030.db2.gz	FPLUYSZRHDXZJO-UKRRQHHQSA-N	0	1	392.456	2.108	20	5		GEBDMN
C[C@@H](C[N@@H+](Cc1ccccc1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)[O-]	ZINC000736584009	601089050	/nfs/dbraw/zinc/08/90/50/601089050.db2.gz	OJHQZUDVTSHZNR-ZDUSSCGKSA-N	0	1	397.387	2.371	20	5		GEBDMN
C[C@@H](C[N@H+](Cc1ccccc1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)[O-]	ZINC000736584009	601089054	/nfs/dbraw/zinc/08/90/54/601089054.db2.gz	OJHQZUDVTSHZNR-ZDUSSCGKSA-N	0	1	397.387	2.371	20	5		GEBDMN
C[C@]1(C(=O)[O-])CC[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1	ZINC000828023892	601912147	/nfs/dbraw/zinc/91/21/47/601912147.db2.gz	DULADMJUVMRTIZ-KRWDZBQOSA-N	0	1	390.421	2.453	20	5		GEBDMN
C[C@]1(C(=O)[O-])CC[N@@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1	ZINC000828023892	601912148	/nfs/dbraw/zinc/91/21/48/601912148.db2.gz	DULADMJUVMRTIZ-KRWDZBQOSA-N	0	1	390.421	2.453	20	5		GEBDMN
O=C([O-])N1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000740516582	601927905	/nfs/dbraw/zinc/92/79/05/601927905.db2.gz	LWVRVURPNSNPPS-BPQIPLTHSA-N	0	1	393.440	2.331	20	5		GEBDMN
CN(CC1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1)C(=O)[O-]	ZINC000739667004	602382648	/nfs/dbraw/zinc/38/26/48/602382648.db2.gz	UPSLTZYVCPNLHW-UHFFFAOYSA-N	0	1	375.385	2.467	20	5		GEBDMN
CN(C[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1)C(=O)[O-]	ZINC000739637416	602704855	/nfs/dbraw/zinc/70/48/55/602704855.db2.gz	OXEBZCOINWTBCO-BBRMVZONSA-N	0	1	376.413	2.022	20	5		GEBDMN
CN(C[C@@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1)C(=O)[O-]	ZINC000739637416	602704857	/nfs/dbraw/zinc/70/48/57/602704857.db2.gz	OXEBZCOINWTBCO-BBRMVZONSA-N	0	1	376.413	2.022	20	5		GEBDMN
CCN(CC1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1)C(=O)[O-]	ZINC000827089511	603539066	/nfs/dbraw/zinc/53/90/66/603539066.db2.gz	JTQRRSDEQCHPNZ-KRWDZBQOSA-N	0	1	390.440	2.412	20	5		GEBDMN
CC[C@H]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1	ZINC000825192821	607642117	/nfs/dbraw/zinc/64/21/17/607642117.db2.gz	JDIQZAQFMWPYLA-QWRGUYRKSA-N	0	1	380.430	2.022	20	5		GEBDMN
NC(=O)c1ccc(C[N@@H+]2CCN(C(=O)[O-])CC23CCCCC3)c([N+](=O)[O-])c1	ZINC000831222623	603914542	/nfs/dbraw/zinc/91/45/42/603914542.db2.gz	NDVFJBQYYYRVHJ-UHFFFAOYSA-N	0	1	376.413	2.192	20	5		GEBDMN
NC(=O)c1ccc(C[N@H+]2CCN(C(=O)[O-])CC23CCCCC3)c([N+](=O)[O-])c1	ZINC000831222623	603914544	/nfs/dbraw/zinc/91/45/44/603914544.db2.gz	NDVFJBQYYYRVHJ-UHFFFAOYSA-N	0	1	376.413	2.192	20	5		GEBDMN
C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])CC[N@H+]1C	ZINC000833601928	605020872	/nfs/dbraw/zinc/02/08/72/605020872.db2.gz	XQYLULYPERJDCA-NWDGAFQWSA-N	0	1	381.454	2.374	20	5		GEBDMN
O=C([O-])N[C@@H]1CCC[C@@H]2C[N@@H+](Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]21	ZINC000834183600	605327129	/nfs/dbraw/zinc/32/71/29/605327129.db2.gz	PNSFXVIVAILIRL-VNQPRFMTSA-N	0	1	386.412	2.179	20	5		GEBDMN
O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1	ZINC000834031433	605522961	/nfs/dbraw/zinc/52/29/61/605522961.db2.gz	ZGUSOMVITCCIEA-WMLDXEAASA-N	0	1	390.440	2.065	20	5		GEBDMN
O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000832240002	605907074	/nfs/dbraw/zinc/90/70/74/605907074.db2.gz	RSPFWMFJKXJXFN-GOOCMWNKSA-N	0	1	386.412	2.464	20	5		GEBDMN
O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000832240002	605907078	/nfs/dbraw/zinc/90/70/78/605907078.db2.gz	RSPFWMFJKXJXFN-GOOCMWNKSA-N	0	1	386.412	2.464	20	5		GEBDMN
Cc1ccccc1C[N@@H+]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1	ZINC000822356822	606697940	/nfs/dbraw/zinc/69/79/40/606697940.db2.gz	ZWEPQHQIXKJCCZ-UHFFFAOYSA-N	0	1	394.439	2.191	20	5		GEBDMN
Cc1ccccc1C[N@H+]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1	ZINC000822356822	606697942	/nfs/dbraw/zinc/69/79/42/606697942.db2.gz	ZWEPQHQIXKJCCZ-UHFFFAOYSA-N	0	1	394.439	2.191	20	5		GEBDMN
Cc1ccccc1C[N@@H+]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1	ZINC000822356822	606697944	/nfs/dbraw/zinc/69/79/44/606697944.db2.gz	ZWEPQHQIXKJCCZ-UHFFFAOYSA-N	0	1	394.439	2.191	20	5		GEBDMN
Cc1ccccc1C[N@H+]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1	ZINC000822356822	606697946	/nfs/dbraw/zinc/69/79/46/606697946.db2.gz	ZWEPQHQIXKJCCZ-UHFFFAOYSA-N	0	1	394.439	2.191	20	5		GEBDMN
C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-]	ZINC000820760959	606714946	/nfs/dbraw/zinc/71/49/46/606714946.db2.gz	UOSNWXZWAOESFY-BBRMVZONSA-N	0	1	394.439	2.492	20	5		GEBDMN
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-]	ZINC000820760959	606714947	/nfs/dbraw/zinc/71/49/47/606714947.db2.gz	UOSNWXZWAOESFY-BBRMVZONSA-N	0	1	394.439	2.492	20	5		GEBDMN
C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-]	ZINC000820760959	606714950	/nfs/dbraw/zinc/71/49/50/606714950.db2.gz	UOSNWXZWAOESFY-BBRMVZONSA-N	0	1	394.439	2.492	20	5		GEBDMN
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-]	ZINC000820760959	606714951	/nfs/dbraw/zinc/71/49/51/606714951.db2.gz	UOSNWXZWAOESFY-BBRMVZONSA-N	0	1	394.439	2.492	20	5		GEBDMN
CN(c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000821619236	606715446	/nfs/dbraw/zinc/71/54/46/606715446.db2.gz	OUKPOACSSVCLFP-HNNXBMFYSA-N	0	1	394.439	2.271	20	5		GEBDMN
CN(c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000821619236	606715447	/nfs/dbraw/zinc/71/54/47/606715447.db2.gz	OUKPOACSSVCLFP-HNNXBMFYSA-N	0	1	394.439	2.271	20	5		GEBDMN
CN(c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000821619236	606715448	/nfs/dbraw/zinc/71/54/48/606715448.db2.gz	OUKPOACSSVCLFP-HNNXBMFYSA-N	0	1	394.439	2.271	20	5		GEBDMN
CN(c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000821619236	606715449	/nfs/dbraw/zinc/71/54/49/606715449.db2.gz	OUKPOACSSVCLFP-HNNXBMFYSA-N	0	1	394.439	2.271	20	5		GEBDMN
CCCC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C1CCC1	ZINC000821043195	606735894	/nfs/dbraw/zinc/73/58/94/606735894.db2.gz	MQWCKIYJOUTHJG-LBPRGKRZSA-N	0	1	394.457	2.412	20	5		GEBDMN
C[C@H]1c2ccccc2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000820825814	606736395	/nfs/dbraw/zinc/73/63/95/606736395.db2.gz	DZRTVFSAOADWFM-JTQLQIEISA-N	0	1	386.393	2.040	20	5		GEBDMN
CC[C@H](NCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1	ZINC000825139667	608552290	/nfs/dbraw/zinc/55/22/90/608552290.db2.gz	GGEUPEHNOYTORV-INIZCTEOSA-N	0	1	381.396	2.454	20	5		GEBDMN
CSc1[nH]c(=O)c(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1-c1nn[nH]n1	ZINC000826229437	609296693	/nfs/dbraw/zinc/29/66/93/609296693.db2.gz	DUOFAEJGGWBQHL-UHFFFAOYSA-N	0	1	387.381	2.158	20	5		GEBDMN
O=C1[C@@H](NCc2cccc([N+](=O)[O-])c2)CCCN1c1ccc(-c2nn[nH]n2)cc1	ZINC000826476254	609415802	/nfs/dbraw/zinc/41/58/02/609415802.db2.gz	DICBMTBIKCQGNW-KRWDZBQOSA-N	0	1	393.407	2.060	20	5		GEBDMN
C[C@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCN1C	ZINC000447024678	649994573	/nfs/dbraw/zinc/99/45/73/649994573.db2.gz	AIXYNNOXQYFWCR-UWVGGRQHSA-N	0	1	392.275	2.118	20	5		GEBDMN
C[C@@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCN1C	ZINC000447028579	649994657	/nfs/dbraw/zinc/99/46/57/649994657.db2.gz	OLTQDFHWIJXZGN-NXEZZACHSA-N	0	1	381.376	2.375	20	5		GEBDMN
CC(C)Cc1nnc(NC(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])s1	ZINC000454919877	650283157	/nfs/dbraw/zinc/28/31/57/650283157.db2.gz	CTBGUINRPJSSPY-UHFFFAOYSA-N	0	1	384.439	2.301	20	5		GEBDMN
O=[N+]([O-])c1ccn(CCN(CCO)Cc2ccc(Br)s2)n1	ZINC000485132912	650693571	/nfs/dbraw/zinc/69/35/71/650693571.db2.gz	QHCFFYWNJGVMQQ-UHFFFAOYSA-N	0	1	375.248	2.110	20	5		GEBDMN
CS(=O)(=O)N[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1	ZINC000093530849	643077713	/nfs/dbraw/zinc/07/77/13/643077713.db2.gz	LOKZDOLSYIHQSP-ZDUSSCGKSA-N	0	1	381.479	2.447	20	5		GEBDMN
CCO[C@@H]1COCC[C@@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000546074648	650990672	/nfs/dbraw/zinc/99/06/72/650990672.db2.gz	GEPXDRDDIWSEGS-CMPLNLGQSA-N	0	1	399.252	2.374	20	5		GEBDMN
CC(C)[C@@H](CNc1c(Br)cncc1[N+](=O)[O-])N1CCN(C)CC1	ZINC000271012758	646166082	/nfs/dbraw/zinc/16/60/82/646166082.db2.gz	XZVGPRNYJICAKJ-CYBMUJFWSA-N	0	1	386.294	2.436	20	5		GEBDMN
Cc1c(Br)cc(C(=O)N2CCO[C@H]3CCN(C)C[C@H]32)cc1[N+](=O)[O-]	ZINC000285989840	646863960	/nfs/dbraw/zinc/86/39/60/646863960.db2.gz	YHTFPYTZQFRPRU-CABCVRRESA-N	0	1	398.257	2.211	20	5		GEBDMN
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NC[C@@H](O)C(F)(F)F)c1Cl	ZINC000295737535	647237766	/nfs/dbraw/zinc/23/77/66/647237766.db2.gz	WKGIFYJELITFGO-ZCFIWIBFSA-N	0	1	383.131	2.103	20	5		GEBDMN
Cc1[nH]nc(C(=O)N(C)C[C@@H](O)c2ccccc2Br)c1[N+](=O)[O-]	ZINC000296895697	647255333	/nfs/dbraw/zinc/25/53/33/647255333.db2.gz	IVEANIXHEBYYAT-LLVKDONJSA-N	0	1	383.202	2.194	20	5		GEBDMN
CSC[C@](C)(O)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000443253932	648869623	/nfs/dbraw/zinc/86/96/23/648869623.db2.gz	HIKJMLCAWNZPFQ-LLVKDONJSA-N	0	1	389.282	2.294	20	5		GEBDMN
COc1ccc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(OC)n1	ZINC000562062721	651487908	/nfs/dbraw/zinc/48/79/08/651487908.db2.gz	DWFYFSQECFOMHQ-UHFFFAOYSA-N	0	1	387.801	2.139	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCOC[C@@H]1CCCO1	ZINC000610264118	651652859	/nfs/dbraw/zinc/65/28/59/651652859.db2.gz	WQXQSHPSMWVBCI-JTQLQIEISA-N	0	1	399.252	2.376	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CCN(C2CC2)C1	ZINC000611106964	651707562	/nfs/dbraw/zinc/70/75/62/651707562.db2.gz	IEVTYKJQQJAWAJ-SECBINFHSA-N	0	1	380.253	2.417	20	5		GEBDMN
CC(C)[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000570703116	651784925	/nfs/dbraw/zinc/78/49/25/651784925.db2.gz	JOGMLGMKQVXATO-SNVBAGLBSA-N	0	1	394.291	2.364	20	5		GEBDMN
CCc1cc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)n[nH]1	ZINC000746670049	652121560	/nfs/dbraw/zinc/12/15/60/652121560.db2.gz	QXRJXSVBXSSUDA-UHFFFAOYSA-N	0	1	389.231	2.121	20	5		GEBDMN
CCc1cc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n[nH]1	ZINC000746671887	652122393	/nfs/dbraw/zinc/12/23/93/652122393.db2.gz	ZEYRGLHERDYWRB-UHFFFAOYSA-N	0	1	378.332	2.378	20	5		GEBDMN
CN(C)c1nc(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cs1	ZINC000747291584	652156856	/nfs/dbraw/zinc/15/68/56/652156856.db2.gz	SFYGZUHCPHRUFN-UHFFFAOYSA-N	0	1	376.847	2.249	20	5		GEBDMN
CC[C@@H]1CN(C)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br	ZINC000578981834	652308717	/nfs/dbraw/zinc/30/87/17/652308717.db2.gz	ZCDBYWGLHLVNJV-LLVKDONJSA-N	0	1	385.262	2.322	20	5		GEBDMN
COC[C@](C)(CC(=O)OC)NCc1ccc(Br)c([N+](=O)[O-])c1	ZINC000757926027	652525858	/nfs/dbraw/zinc/52/58/58/652525858.db2.gz	JMGKYUFRUHGDPG-AWEZNQCLSA-N	0	1	375.219	2.415	20	5		GEBDMN
O=[N+]([O-])c1cc(I)cc(CN2CCc3cn[nH]c3C2)c1	ZINC000589257031	652563629	/nfs/dbraw/zinc/56/36/29/652563629.db2.gz	DWGFSTBWATVCCG-UHFFFAOYSA-N	0	1	384.177	2.481	20	5		GEBDMN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCSc2ccc(Cl)cc2)n1	ZINC000599208208	652854440	/nfs/dbraw/zinc/85/44/40/652854440.db2.gz	YFGGUUQLFSKTOS-UHFFFAOYSA-N	0	1	376.847	2.052	20	5		GEBDMN
Cn1ncc(C(F)(F)F)c1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000599369080	652865054	/nfs/dbraw/zinc/86/50/54/652865054.db2.gz	JOZIGJPLEITEEQ-UHFFFAOYSA-N	0	1	398.750	2.479	20	5		GEBDMN
COC(=O)C[C@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccs1	ZINC000768804242	653127123	/nfs/dbraw/zinc/12/71/23/653127123.db2.gz	RZCSUQKPMHCARX-VIFPVBQESA-N	0	1	376.437	2.301	20	5		GEBDMN
Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)ccc21	ZINC000768867776	653133660	/nfs/dbraw/zinc/13/36/60/653133660.db2.gz	KMGBRZNFWYXFFH-UHFFFAOYSA-N	0	1	383.769	2.494	20	5		GEBDMN
O=[N+]([O-])c1sc(CNC[C@@H]2CCC[N@H+]2CCCO)cc1Br	ZINC000602673202	653199731	/nfs/dbraw/zinc/19/97/31/653199731.db2.gz	JGZVUALVDQSNOS-JTQLQIEISA-N	0	1	378.292	2.355	20	5		GEBDMN
CCCC[C@@H](NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(=O)OC	ZINC000809830861	653305698	/nfs/dbraw/zinc/30/56/98/653305698.db2.gz	GUQIJJGITOGDCS-SNVBAGLBSA-N	0	1	382.797	2.397	20	5		GEBDMN
CC[S@](=O)CCNCc1cc(I)cc([N+](=O)[O-])c1	ZINC000810143400	653328077	/nfs/dbraw/zinc/32/80/77/653328077.db2.gz	GJUXYTSGKIJCGR-SFHVURJKSA-N	0	1	382.223	2.058	20	5		GEBDMN
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[NH2+]C[C@H]1c1ccccc1	ZINC000858620936	653371252	/nfs/dbraw/zinc/37/12/52/653371252.db2.gz	PKZJGYROUJBPGB-UONOGXRCSA-N	0	1	381.841	2.282	20	5		GEBDMN
Cc1c(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cccc1N1CN=NC1=O	ZINC000811719654	653403546	/nfs/dbraw/zinc/40/35/46/653403546.db2.gz	MIMBNMHMLWYPMH-UHFFFAOYSA-N	0	1	381.395	2.052	20	5		GEBDMN
Cn1c(Cl)cnc1CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815010489	653642934	/nfs/dbraw/zinc/64/29/34/653642934.db2.gz	YSGZYLXLPJBXHQ-UHFFFAOYSA-N	0	1	383.188	2.253	20	5		GEBDMN
CS[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@H]1N(C)C	ZINC000815028983	653645876	/nfs/dbraw/zinc/64/58/76/653645876.db2.gz	IJDWLSNSAPBALS-VXGBXAGGSA-N	0	1	397.881	2.053	20	5		GEBDMN
CC(C)(C)n1ncnc1CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815041931	653647575	/nfs/dbraw/zinc/64/75/75/653647575.db2.gz	UMGDMYGQUDESGE-UHFFFAOYSA-N	0	1	391.812	2.212	20	5		GEBDMN
Cc1cc(N2CCC[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2=O)ccc1Br	ZINC000839724382	653661503	/nfs/dbraw/zinc/66/15/03/653661503.db2.gz	HNMWUTIDUJQLBW-MRVWCRGKSA-N	0	1	396.241	2.034	20	5		GEBDMN
O=C([C@@H]1CC1[N+](=O)[O-])N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F	ZINC000839772891	653663734	/nfs/dbraw/zinc/66/37/34/653663734.db2.gz	HGASMUIKZTWAES-JHJVBQTASA-N	0	1	380.750	2.300	20	5		GEBDMN
C[N@@H+]1CCC[C@H](CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1	ZINC000841546001	653731057	/nfs/dbraw/zinc/73/10/57/653731057.db2.gz	BUFCCVUGLARCNV-SNVBAGLBSA-N	0	1	379.841	2.398	20	5		GEBDMN
C[N@H+]1CCC[C@H](CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1	ZINC000841546001	653731058	/nfs/dbraw/zinc/73/10/58/653731058.db2.gz	BUFCCVUGLARCNV-SNVBAGLBSA-N	0	1	379.841	2.398	20	5		GEBDMN
CO[C@H](CS(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCOCC1	ZINC000842572766	653759708	/nfs/dbraw/zinc/75/97/08/653759708.db2.gz	ALUVCBIPHPULJH-CQSZACIVSA-N	0	1	378.834	2.432	20	5		GEBDMN
O=C(CCNC(=O)C(F)(F)F)COc1c(Br)cccc1[N+](=O)[O-]	ZINC000865360664	653762430	/nfs/dbraw/zinc/76/24/30/653762430.db2.gz	IBYRUNMHEASWSE-UHFFFAOYSA-N	0	1	399.119	2.374	20	5		GEBDMN
C[C@@H](CCCC[NH3+])[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000842869555	653771195	/nfs/dbraw/zinc/77/11/95/653771195.db2.gz	NOPILSUOWIUAOI-VIFPVBQESA-N	0	1	380.264	2.153	20	5		GEBDMN
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1CN(C)CCN1C	ZINC000896539986	653883642	/nfs/dbraw/zinc/88/36/42/653883642.db2.gz	CMNOWQHCPSJZBV-ABAIWWIYSA-N	0	1	399.289	2.030	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1	ZINC000884956287	653897902	/nfs/dbraw/zinc/89/79/02/653897902.db2.gz	ZQKSOAUMWPWYCL-ZJUUUORDSA-N	0	1	377.825	2.292	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1	ZINC000884956287	653897906	/nfs/dbraw/zinc/89/79/06/653897906.db2.gz	ZQKSOAUMWPWYCL-ZJUUUORDSA-N	0	1	377.825	2.292	20	5		GEBDMN
CC1(C)[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)[C@@H]2CCO[C@H]21	ZINC000795853950	653971254	/nfs/dbraw/zinc/97/12/54/653971254.db2.gz	DFWUTJHKFDPHOF-ZEGGKSINSA-N	0	1	378.809	2.479	20	5		GEBDMN
CS[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[C@@H]1N(C)C	ZINC000795897304	653975793	/nfs/dbraw/zinc/97/57/93/653975793.db2.gz	SYSKZFSQMPYXOF-WDEREUQCSA-N	0	1	397.881	2.053	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@H](CO)c2ccsc2)c1	ZINC000795927362	653977943	/nfs/dbraw/zinc/97/79/43/653977943.db2.gz	DINMRSJOPFHONX-SNVBAGLBSA-N	0	1	380.806	2.461	20	5		GEBDMN
Cc1cc(CNCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc(Cl)n1	ZINC000797600144	654037156	/nfs/dbraw/zinc/03/71/56/654037156.db2.gz	IENMQBFWIJQBIC-UHFFFAOYSA-N	0	1	384.845	2.020	20	5		GEBDMN
C[C@@H]1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CN1C1CC1	ZINC000798226767	654055341	/nfs/dbraw/zinc/05/53/41/654055341.db2.gz	FISTXAIMMOPHJK-BDAKNGLRSA-N	0	1	377.825	2.291	20	5		GEBDMN
Cc1cc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(Br)cc2C)n[nH]1	ZINC000799773771	654111259	/nfs/dbraw/zinc/11/12/59/654111259.db2.gz	ZBKUOYSLCPBRII-UHFFFAOYSA-N	0	1	389.231	2.176	20	5		GEBDMN
CN(C)C[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000851814243	654180651	/nfs/dbraw/zinc/18/06/51/654180651.db2.gz	ZHYHHPBKSVRIKJ-JTQLQIEISA-N	0	1	379.841	2.492	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CCC(N2CCC2)CC1	ZINC000903204470	654226713	/nfs/dbraw/zinc/22/67/13/654226713.db2.gz	POVCEWSUFIKDRF-UHFFFAOYSA-N	0	1	377.825	2.246	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(S(=O)(=O)NCC2(CF)CCOCC2)cc1Cl	ZINC000832180248	654242971	/nfs/dbraw/zinc/24/29/71/654242971.db2.gz	PQIOQLUXFYSKSQ-UHFFFAOYSA-N	0	1	384.788	2.432	20	5		GEBDMN
O=[N+]([O-])c1c[nH]c2ccc(N3CCc4ncc(CN5CCCC5)n4CC3)nc21	ZINC001164728056	720571386	/nfs/dbraw/zinc/57/13/86/720571386.db2.gz	ILZUYXADCHTPOR-UHFFFAOYSA-N	0	1	381.440	2.326	20	5		GEBDMN
Cn1cc(CN2CC[C@H]3CN(c4nccc(Cl)c4[N+](=O)[O-])C[C@@H]3C2)cn1	ZINC001164765841	721077571	/nfs/dbraw/zinc/07/75/71/721077571.db2.gz	JXVNMJLKURPJJB-KBPBESRZSA-N	0	1	376.848	2.335	20	5		GEBDMN
Cc1cc(C)c([N+](=O)[O-])c(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1	ZINC001164867623	721099012	/nfs/dbraw/zinc/09/90/12/721099012.db2.gz	YURFMKSALSZBDJ-QZTJIDSGSA-N	0	1	383.452	2.481	20	5		GEBDMN
Cc1cc(C)c([N+](=O)[O-])c(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1	ZINC001164867622	721099436	/nfs/dbraw/zinc/09/94/36/721099436.db2.gz	YURFMKSALSZBDJ-MSOLQXFVSA-N	0	1	383.452	2.481	20	5		GEBDMN
Cc1cc([N+](=O)[O-])cnc1N1CC[C@]2(C1)CCC[C@@H](CN1CCN(C)CC1)O2	ZINC001164894115	721383353	/nfs/dbraw/zinc/38/33/53/721383353.db2.gz	XTCAJQJVQUHZDS-ICSRJNTNSA-N	0	1	389.500	2.064	20	5		GEBDMN
COc1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c([N+](=O)[O-])c1	ZINC001164979787	722112644	/nfs/dbraw/zinc/11/26/44/722112644.db2.gz	PYQMDCWPKFTZPV-VQIMIIECSA-N	0	1	399.451	2.121	20	5		GEBDMN
Cc1sc(S(=O)(=O)N[C@@H](Cc2ccccc2)CN(C)C)cc1[N+](=O)[O-]	ZINC000123260336	532096963	/nfs/dbraw/zinc/09/69/63/532096963.db2.gz	CZAXUCSPRUSUNV-AWEZNQCLSA-N	0	1	383.495	2.416	20	5		GEBDMN
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC(c2nc[nH]n2)CC1	ZINC000124552597	532124362	/nfs/dbraw/zinc/12/43/62/532124362.db2.gz	AXWZOLDIAOKZQS-UHFFFAOYSA-N	0	1	385.833	2.243	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)NCCNCc2ccc(F)c(Cl)c2)c1	ZINC000179075149	532221779	/nfs/dbraw/zinc/22/17/79/532221779.db2.gz	LAMZGDCDBLOMLZ-UHFFFAOYSA-N	0	1	387.820	2.455	20	5		GEBDMN
CCC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1nn[nH]n1	ZINC000136740810	532286233	/nfs/dbraw/zinc/28/62/33/532286233.db2.gz	YEJWKWLPPDIFNW-LLVKDONJSA-N	0	1	383.206	2.071	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCCn1ccnc1	ZINC000557358598	532363188	/nfs/dbraw/zinc/36/31/88/532363188.db2.gz	QTBOOYRPVAFKAD-UHFFFAOYSA-N	0	1	379.225	2.467	20	5		GEBDMN
Cc1[nH]nc(C(=O)N2CC[C@@H](Oc3cncc(Br)c3)C2)c1[N+](=O)[O-]	ZINC000590390143	532369885	/nfs/dbraw/zinc/36/98/85/532369885.db2.gz	MACGYZYAAKNBBP-SNVBAGLBSA-N	0	1	396.201	2.077	20	5		GEBDMN
C[C@@](O)(CNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(F)(F)F	ZINC000295205206	532417937	/nfs/dbraw/zinc/41/79/37/532417937.db2.gz	TWVHMMRERJGYFK-SECBINFHSA-N	0	1	397.158	2.493	20	5		GEBDMN
CC[C@H](NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@@H](O)C(F)F	ZINC000295799893	532478120	/nfs/dbraw/zinc/47/81/20/532478120.db2.gz	SJFMXKFQPMHTFQ-OIBJUYFYSA-N	0	1	376.740	2.070	20	5		GEBDMN
Cc1nnc([C@H](C)NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)[nH]1	ZINC000296062973	532498549	/nfs/dbraw/zinc/49/85/49/532498549.db2.gz	PCJLBXBJPNDZAM-YFKPBYRVSA-N	0	1	380.213	2.368	20	5		GEBDMN
CO[C@@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@@H]1CCOC1	ZINC000594799575	532531895	/nfs/dbraw/zinc/53/18/95/532531895.db2.gz	FQAVHHQVERVDAH-PELKAZGASA-N	0	1	399.252	2.231	20	5		GEBDMN
CCCN1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1	ZINC000595356901	532559828	/nfs/dbraw/zinc/55/98/28/532559828.db2.gz	VMIZLSSRZAOXFB-JTQLQIEISA-N	0	1	392.275	2.120	20	5		GEBDMN
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N1CCN(C)CC1	ZINC000284300666	532585104	/nfs/dbraw/zinc/58/51/04/532585104.db2.gz	JKIKRBWGMWFVJF-NSHDSACASA-N	0	1	399.289	2.031	20	5		GEBDMN
COC[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@H]1CCCO1	ZINC000433477822	532570857	/nfs/dbraw/zinc/57/08/57/532570857.db2.gz	OHFHUCKXEGTQRI-CMPLNLGQSA-N	0	1	399.252	2.374	20	5		GEBDMN
C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ncnn1C	ZINC000474386114	532616118	/nfs/dbraw/zinc/61/61/18/532616118.db2.gz	BJHOEVGYGBSIDH-LURJTMIESA-N	0	1	380.213	2.070	20	5		GEBDMN
CCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000474393327	532616739	/nfs/dbraw/zinc/61/67/39/532616739.db2.gz	QHMACUJYUXTPRL-SSDOTTSWSA-N	0	1	384.241	2.047	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]C[C@@H]2CC[N@H+](C3CC3)C2)c1	ZINC000284958057	532634891	/nfs/dbraw/zinc/63/48/91/532634891.db2.gz	AHBMTOWKNOYINA-VIFPVBQESA-N	0	1	377.825	2.150	20	5		GEBDMN
CO[C@H](c1ccc(Cl)cc1)[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599236597	532654968	/nfs/dbraw/zinc/65/49/68/532654968.db2.gz	DCECQHXTJUWMPN-ZANVPECISA-N	0	1	388.833	2.036	20	5		GEBDMN
CC[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1	ZINC000599246875	532656181	/nfs/dbraw/zinc/65/61/81/532656181.db2.gz	NSARVZFERPSULY-ZCFIWIBFSA-N	0	1	399.376	2.233	20	5		GEBDMN
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(S(C)(=O)=O)cc1	ZINC000481943569	532670144	/nfs/dbraw/zinc/67/01/44/532670144.db2.gz	FXZHWZHCZUJSQR-UHFFFAOYSA-N	0	1	384.435	2.416	20	5		GEBDMN
C[C@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000286127150	532729558	/nfs/dbraw/zinc/72/95/58/532729558.db2.gz	WDHHYRLXQBXSAB-JOYOIKCWSA-N	0	1	379.841	2.348	20	5		GEBDMN
COCCN1CCC[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1	ZINC000610905317	532719425	/nfs/dbraw/zinc/71/94/25/532719425.db2.gz	LSYNMXBUVVTMEZ-CYBMUJFWSA-N	0	1	386.246	2.198	20	5		GEBDMN
CO[C@@H](C)c1nc(CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cs1	ZINC000267625431	532747907	/nfs/dbraw/zinc/74/79/07/532747907.db2.gz	MIYRFDXKZMQTKB-QMMMGPOBSA-N	0	1	375.403	2.376	20	5		GEBDMN
O=[N+]([O-])c1cnc(N2CCC[C@@H]2CN2CCC[C@H]2CO)c(Br)c1	ZINC000301560290	532754453	/nfs/dbraw/zinc/75/44/53/532754453.db2.gz	KDILMMHOXQMRGD-NEPJUHHUSA-N	0	1	385.262	2.178	20	5		GEBDMN
CCc1nc(C2CCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)n[nH]1	ZINC000302704566	532772592	/nfs/dbraw/zinc/77/25/92/532772592.db2.gz	IYRSTQLWSHPNPC-UHFFFAOYSA-N	0	1	385.471	2.124	20	5		GEBDMN
CCc1nnc(C2CCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)[nH]1	ZINC000302704566	532772597	/nfs/dbraw/zinc/77/25/97/532772597.db2.gz	IYRSTQLWSHPNPC-UHFFFAOYSA-N	0	1	385.471	2.124	20	5		GEBDMN
COC(=O)[C@H](CC(F)(F)F)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000274182817	532843640	/nfs/dbraw/zinc/84/36/40/532843640.db2.gz	KKBBNCWEDBFTHI-ZETCQYMHSA-N	0	1	390.723	2.021	20	5		GEBDMN
COC(=O)[C@@H](CC(F)(F)F)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000274206073	532844264	/nfs/dbraw/zinc/84/42/64/532844264.db2.gz	PEJSDMUVVNYLCJ-SSDOTTSWSA-N	0	1	390.723	2.021	20	5		GEBDMN
O=[N+]([O-])c1cc(I)cc(CNC[C@@H](O)C(F)(F)F)c1	ZINC000289945902	532868834	/nfs/dbraw/zinc/86/88/34/532868834.db2.gz	PVRZHMYGYYZGSL-SECBINFHSA-N	0	1	390.099	2.212	20	5		GEBDMN
C[C@@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCN(C)CC1	ZINC000292042559	532912135	/nfs/dbraw/zinc/91/21/35/532912135.db2.gz	XXADJOKENYYWSU-JTQLQIEISA-N	0	1	375.256	2.267	20	5		GEBDMN
O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC000368849798	532934739	/nfs/dbraw/zinc/93/47/39/532934739.db2.gz	KWKUQLPZYDDANP-KGLIPLIRSA-N	0	1	396.241	2.291	20	5		GEBDMN
C[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(-c2nn[nH]n2)c1	ZINC000820426359	599393041	/nfs/dbraw/zinc/39/30/41/599393041.db2.gz	ITNMYWIJAAFANO-NSHDSACASA-N	0	1	382.380	2.492	20	5		GEBDMN
C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(-c2nn[nH]n2)c1	ZINC000820403802	599525821	/nfs/dbraw/zinc/52/58/21/599525821.db2.gz	MUECTFGKDOMAFS-VIFPVBQESA-N	0	1	378.352	2.142	20	5		GEBDMN
O=C([O-])CC[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCCO1	ZINC000739715981	600516404	/nfs/dbraw/zinc/51/64/04/600516404.db2.gz	AUGTYRNIWBXQDU-GFCCVEGCSA-N	0	1	385.804	2.142	20	5		GEBDMN
O=C([O-])CC[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCCO1	ZINC000739715981	600516407	/nfs/dbraw/zinc/51/64/07/600516407.db2.gz	AUGTYRNIWBXQDU-GFCCVEGCSA-N	0	1	385.804	2.142	20	5		GEBDMN
COc1cc(C[N@@H+](CC(=O)[O-])C2CCOCC2)c([N+](=O)[O-])cc1OC(F)F	ZINC000569105894	600852810	/nfs/dbraw/zinc/85/28/10/600852810.db2.gz	BZEZIJNMLQUPBG-UHFFFAOYSA-N	0	1	390.339	2.270	20	5		GEBDMN
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCC(=O)[O-])C1CCOCC1	ZINC000592397044	601048403	/nfs/dbraw/zinc/04/84/03/601048403.db2.gz	VQOLRRVFOSXUBV-UHFFFAOYSA-N	0	1	379.413	2.188	20	5		GEBDMN
C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000830596321	601107778	/nfs/dbraw/zinc/10/77/78/601107778.db2.gz	HYVBWARNVACLOS-UHFFFAOYSA-N	0	1	386.364	2.045	20	5		GEBDMN
Cc1cc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000568399714	601545160	/nfs/dbraw/zinc/54/51/60/601545160.db2.gz	ZCVSVECYTQSFSE-QGZVFWFLSA-N	0	1	385.420	2.433	20	5		GEBDMN
O=C([O-])[C@]1(NC(=O)c2cccc([N+](=O)[O-])c2)CCC[N@@H+](Cc2ccccc2)C1	ZINC000833129253	601730354	/nfs/dbraw/zinc/73/03/54/601730354.db2.gz	YFZGVDWIXDGABY-FQEVSTJZSA-N	0	1	383.404	2.444	20	5		GEBDMN
CCCCCN(C(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000825272192	607592212	/nfs/dbraw/zinc/59/22/12/607592212.db2.gz	YNIALUSWCQAAAT-UHFFFAOYSA-N	0	1	382.446	2.364	20	5		GEBDMN
CC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)c1ccccc1	ZINC000825149361	607600623	/nfs/dbraw/zinc/60/06/23/607600623.db2.gz	XJTBXSYIQBUBPA-LBPRGKRZSA-N	0	1	388.409	2.205	20	5		GEBDMN
CC(C)N(C1CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000824288955	607604368	/nfs/dbraw/zinc/60/43/68/607604368.db2.gz	RHRDPPPNTWKCSB-UHFFFAOYSA-N	0	1	380.430	2.117	20	5		GEBDMN
CC[C@H](C)[C@@H](C)N(C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000825060210	607608113	/nfs/dbraw/zinc/60/81/13/607608113.db2.gz	OQTNNTVNDXJSDT-WDEREUQCSA-N	0	1	394.457	2.363	20	5		GEBDMN
C[C@@H]1CCC[C@@H](CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1	ZINC000824925257	607616662	/nfs/dbraw/zinc/61/66/62/607616662.db2.gz	CHYRSPUCMDGSEG-NEPJUHHUSA-N	0	1	394.457	2.270	20	5		GEBDMN
Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C1CC1)C1CCN(C(=O)[O-])CC1	ZINC000830138186	603554749	/nfs/dbraw/zinc/55/47/49/603554749.db2.gz	NCOWDIVRSQMRGA-UHFFFAOYSA-N	0	1	376.413	2.449	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2C[C@H]2C2CCCCC2)c1-c1nn[nH]n1	ZINC000826500130	607648265	/nfs/dbraw/zinc/64/82/65/607648265.db2.gz	MHAQJFDVVLROPP-NWDGAFQWSA-N	0	1	392.441	2.022	20	5		GEBDMN
Cc1nn(C[NH+]2CCC([C@H]3CCCN3C(=O)[O-])CC2)c2ncc([N+](=O)[O-])cc12	ZINC000830870750	603908957	/nfs/dbraw/zinc/90/89/57/603908957.db2.gz	MSIUPDZSPMXNSA-MRXNPFEDSA-N	0	1	388.428	2.460	20	5		GEBDMN
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000829516487	603971562	/nfs/dbraw/zinc/97/15/62/603971562.db2.gz	SOBDRASONRGYIE-OCCSQVGLSA-N	0	1	392.412	2.149	20	5		GEBDMN
CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1	ZINC000833417561	604937584	/nfs/dbraw/zinc/93/75/84/604937584.db2.gz	VATBDSAQHSBFNX-AWEZNQCLSA-N	0	1	375.425	2.307	20	5		GEBDMN
C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-]	ZINC000833622321	605021853	/nfs/dbraw/zinc/02/18/53/605021853.db2.gz	HCXCOXVJOQRROB-XHDPSFHLSA-N	0	1	393.465	2.374	20	5		GEBDMN
CC(C)C[N@H+]1CCC[C@@H]1CNc1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000833488704	605062809	/nfs/dbraw/zinc/06/28/09/605062809.db2.gz	UHDCJDVUJWENNQ-UKRRQHHQSA-N	0	1	392.456	2.330	20	5		GEBDMN
C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000833627549	605165728	/nfs/dbraw/zinc/16/57/28/605165728.db2.gz	YJBYZKPBXPOJMZ-SNVBAGLBSA-N	0	1	389.330	2.235	20	5		GEBDMN
O=C([O-])N[C@@H]1CCC[C@@H]2C[N@@H+](Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C[C@@H]21	ZINC000834177853	605321266	/nfs/dbraw/zinc/32/12/66/605321266.db2.gz	DADROQIORCNRIX-QLFBSQMISA-N	0	1	386.412	2.179	20	5		GEBDMN
CC(C)(C)CC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC1	ZINC000833429527	605390744	/nfs/dbraw/zinc/39/07/44/605390744.db2.gz	OMTZJDXIPHGWPK-UHFFFAOYSA-N	0	1	399.469	2.036	20	5		GEBDMN
C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC2(C1)CCN(C(=O)[O-])CC2	ZINC000833790090	605895052	/nfs/dbraw/zinc/89/50/52/605895052.db2.gz	MIRPUZIYYMQZPQ-CYBMUJFWSA-N	0	1	376.413	2.388	20	5		GEBDMN
C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC2(C1)CCN(C(=O)[O-])CC2	ZINC000833790090	605895055	/nfs/dbraw/zinc/89/50/55/605895055.db2.gz	MIRPUZIYYMQZPQ-CYBMUJFWSA-N	0	1	376.413	2.388	20	5		GEBDMN
CC1CC[NH+](C[C@H]2CCCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)CC1	ZINC000820723032	606704460	/nfs/dbraw/zinc/70/44/60/606704460.db2.gz	UHTBFFGQTKTDEE-CQSZACIVSA-N	0	1	386.460	2.118	20	5		GEBDMN
CC1CC[NH+](C[C@H]2CCCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)CC1	ZINC000820723032	606704462	/nfs/dbraw/zinc/70/44/62/606704462.db2.gz	UHTBFFGQTKTDEE-CQSZACIVSA-N	0	1	386.460	2.118	20	5		GEBDMN
Cc1ccc([C@@H](CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])[NH+]2CCCC2)o1	ZINC000822230564	606706990	/nfs/dbraw/zinc/70/69/90/606706990.db2.gz	KBUBHGOVJBAHDY-CYBMUJFWSA-N	0	1	384.400	2.320	20	5		GEBDMN
CCN(Cc1cccs1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000821230918	606730630	/nfs/dbraw/zinc/73/06/30/606730630.db2.gz	VDZKPYVYRVYDHL-UHFFFAOYSA-N	0	1	394.438	2.047	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(F)cc2Cl)c1-c1nn[nH]n1	ZINC000823648630	607154780	/nfs/dbraw/zinc/15/47/80/607154780.db2.gz	ZMZRKJXALNVOSP-UHFFFAOYSA-N	0	1	398.763	2.368	20	5		GEBDMN
C[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(-c2nn[nH]n2)cc1	ZINC000824554931	608460264	/nfs/dbraw/zinc/46/02/64/608460264.db2.gz	SXJUAAYTPPMDOX-LBPRGKRZSA-N	0	1	393.407	2.015	20	5		GEBDMN
Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C)c1ccc(-c2nn[nH]n2)cc1	ZINC000826304682	608460395	/nfs/dbraw/zinc/46/03/95/608460395.db2.gz	ULSWPEGNOLZOJU-GFCCVEGCSA-N	0	1	381.396	2.373	20	5		GEBDMN
O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000826470082	609166880	/nfs/dbraw/zinc/16/68/80/609166880.db2.gz	BFRSFYMRHHWAAX-UHFFFAOYSA-N	0	1	392.375	2.410	20	5		GEBDMN
Cc1noc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n1	ZINC000447027877	649994605	/nfs/dbraw/zinc/99/46/05/649994605.db2.gz	FYOCPHFOVGLTLZ-ZCFIWIBFSA-N	0	1	380.304	2.345	20	5		GEBDMN
Cc1nc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n[nH]1	ZINC000510995675	650522830	/nfs/dbraw/zinc/52/28/30/650522830.db2.gz	HXLIQVBYCRYDET-LURJTMIESA-N	0	1	379.320	2.080	20	5		GEBDMN
Cc1nnc(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)[nH]1	ZINC000513405318	650562662	/nfs/dbraw/zinc/56/26/62/650562662.db2.gz	UIIDREMPQZNUAF-UHFFFAOYSA-N	0	1	387.137	2.187	20	5		GEBDMN
Cc1n[nH]c(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)n1	ZINC000513405318	650562666	/nfs/dbraw/zinc/56/26/66/650562666.db2.gz	UIIDREMPQZNUAF-UHFFFAOYSA-N	0	1	387.137	2.187	20	5		GEBDMN
Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1	ZINC000536700242	650805813	/nfs/dbraw/zinc/80/58/13/650805813.db2.gz	QLWMNLRWFZTBDE-UHFFFAOYSA-N	0	1	384.435	2.249	20	5		GEBDMN
O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)c1n[nH]cc1[N+](=O)[O-]	ZINC000119163645	643539741	/nfs/dbraw/zinc/53/97/41/643539741.db2.gz	NEDLBSFFVIFLRW-SNVBAGLBSA-N	0	1	394.229	2.337	20	5		GEBDMN
C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)C[C@H](C)N1	ZINC000153197100	643979255	/nfs/dbraw/zinc/97/92/55/643979255.db2.gz	MOPFWIJFEUMBKM-IUCAKERBSA-N	0	1	389.193	2.022	20	5		GEBDMN
O=C(NCCN1CCCOCC1)Nc1ccc(Br)c([N+](=O)[O-])c1	ZINC000188529814	645116396	/nfs/dbraw/zinc/11/63/96/645116396.db2.gz	WCJSSLZULZOIGL-UHFFFAOYSA-N	0	1	387.234	2.201	20	5		GEBDMN
CC(C)C[C@](C)(C[NH3+])[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000236721912	645418586	/nfs/dbraw/zinc/41/85/86/645418586.db2.gz	CAMWKRAVGPIVCS-CYBMUJFWSA-N	0	1	394.291	2.399	20	5		GEBDMN
[NH3+]C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000237933829	645448135	/nfs/dbraw/zinc/44/81/35/645448135.db2.gz	UMOHKVVQYXFEJD-GXSJLCMTSA-N	0	1	392.275	2.153	20	5		GEBDMN
C[C@@]1(C(=O)[O-])CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1	ZINC000263457142	645665522	/nfs/dbraw/zinc/66/55/22/645665522.db2.gz	AZPQYAMLWKWFNQ-CYBMUJFWSA-N	0	1	390.177	2.496	20	5		GEBDMN
C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1	ZINC000263457142	645665526	/nfs/dbraw/zinc/66/55/26/645665526.db2.gz	AZPQYAMLWKWFNQ-CYBMUJFWSA-N	0	1	390.177	2.496	20	5		GEBDMN
COCCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000265742940	645797094	/nfs/dbraw/zinc/79/70/94/645797094.db2.gz	WRGSNFFAVWLUHO-ZDUSSCGKSA-N	0	1	385.829	2.231	20	5		GEBDMN
CC[S@](=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1	ZINC000267452368	645903512	/nfs/dbraw/zinc/90/35/12/645903512.db2.gz	FQLPDBCBVAVOGB-YCINEILWSA-N	0	1	378.447	2.092	20	5		GEBDMN
CC[S@](=O)[C@H]1CCC[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1	ZINC000267452366	645903650	/nfs/dbraw/zinc/90/36/50/645903650.db2.gz	FQLPDBCBVAVOGB-LYSPQLLHSA-N	0	1	378.447	2.092	20	5		GEBDMN
CCC[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1nn[nH]n1	ZINC000268216254	645954565	/nfs/dbraw/zinc/95/45/65/645954565.db2.gz	POICBAUBBPZWRM-MRVPVSSYSA-N	0	1	387.169	2.281	20	5		GEBDMN
C[C@H]1CN(CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCO1	ZINC000277677624	646460611	/nfs/dbraw/zinc/46/06/11/646460611.db2.gz	GOQNGBAULXJKNT-LBPRGKRZSA-N	0	1	391.877	2.027	20	5		GEBDMN
Cc1c(Br)cc(C(=O)N2CCO[C@@H]3CCN(C)C[C@H]32)cc1[N+](=O)[O-]	ZINC000285989845	646863849	/nfs/dbraw/zinc/86/38/49/646863849.db2.gz	YHTFPYTZQFRPRU-HUUCEWRRSA-N	0	1	398.257	2.211	20	5		GEBDMN
CCn1cc(S(=O)(=O)NC[C@H]2CCCC[C@@H]2C(F)(F)F)c([N+](=O)[O-])n1	ZINC000330457492	647338187	/nfs/dbraw/zinc/33/81/87/647338187.db2.gz	QKVFPZUHGXNPAV-ZJUUUORDSA-N	0	1	384.380	2.458	20	5		GEBDMN
CCn1cc(S(=O)(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)c([N+](=O)[O-])n1	ZINC000330457491	647338268	/nfs/dbraw/zinc/33/82/68/647338268.db2.gz	QKVFPZUHGXNPAV-VHSXEESVSA-N	0	1	384.380	2.458	20	5		GEBDMN
CN(CCN1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000331352845	647381458	/nfs/dbraw/zinc/38/14/58/647381458.db2.gz	XNFDOPICVDGAAP-UHFFFAOYSA-N	0	1	392.275	2.074	20	5		GEBDMN
CS[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1N1CCCC1	ZINC000332107601	647411964	/nfs/dbraw/zinc/41/19/64/647411964.db2.gz	ZWGMGJZISMTYMA-LSDHHAIUSA-N	0	1	385.511	2.104	20	5		GEBDMN
Cn1ccnc1-c1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])[nH]n1	ZINC000435718037	648786080	/nfs/dbraw/zinc/78/60/80/648786080.db2.gz	UEAPMGWQUDENIR-UHFFFAOYSA-N	0	1	391.185	2.733	20	5		GEBDMN
C[S@@](=O)C1(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1	ZINC000443100669	648861784	/nfs/dbraw/zinc/86/17/84/648861784.db2.gz	GLLCSPBBGJXABO-OAQYLSRUSA-N	0	1	387.266	2.091	20	5		GEBDMN
COCCOc1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1	ZINC000564382581	651563595	/nfs/dbraw/zinc/56/35/95/651563595.db2.gz	PMOVXQSJYPREPX-UHFFFAOYSA-N	0	1	387.801	2.469	20	5		GEBDMN
Cc1cc(S(C)(=O)=O)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000609658127	651628643	/nfs/dbraw/zinc/62/86/43/651628643.db2.gz	PJZDCWOBHFSAIH-UHFFFAOYSA-N	0	1	384.435	2.416	20	5		GEBDMN
CCc1cc(CNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])on1	ZINC000610161995	651648351	/nfs/dbraw/zinc/64/83/51/651648351.db2.gz	YMAIMYNKMAABTK-UHFFFAOYSA-N	0	1	390.215	2.386	20	5		GEBDMN
O=[N+]([O-])c1cc(Br)cnc1N1CCCN(C[C@H]2CCCO2)CC1	ZINC000610769564	651684395	/nfs/dbraw/zinc/68/43/95/651684395.db2.gz	KHMYCNOBONEHMP-CYBMUJFWSA-N	0	1	385.262	2.443	20	5		GEBDMN
NS(=O)(=O)c1cccc(NCc2nc3ccc(Cl)cc3[nH]2)c1[N+](=O)[O-]	ZINC000612657257	651764041	/nfs/dbraw/zinc/76/40/41/651764041.db2.gz	CFPBLOQLXKREBK-UHFFFAOYSA-N	0	1	381.801	2.384	20	5		GEBDMN
C[C@H]1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCN1C	ZINC000742309057	651978069	/nfs/dbraw/zinc/97/80/69/651978069.db2.gz	KHXKXOVNRPQLEP-VHSXEESVSA-N	0	1	392.275	2.118	20	5		GEBDMN
O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H](N2CC[C@@H](O)C2)C1	ZINC000588864053	652557261	/nfs/dbraw/zinc/55/72/61/652557261.db2.gz	YMCDTXSHJHDKST-CHWSQXEVSA-N	0	1	385.873	2.008	20	5		GEBDMN
CCOC(=O)C[C@H](NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(F)(F)F	ZINC000594697292	652673866	/nfs/dbraw/zinc/67/38/66/652673866.db2.gz	BOXOTORWBMMDME-JTQLQIEISA-N	0	1	384.332	2.066	20	5		GEBDMN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCCOc3cc(Cl)ccc32)n1	ZINC000599272191	652857194	/nfs/dbraw/zinc/85/71/94/652857194.db2.gz	LUKMFXWIOFOGGQ-NSHDSACASA-N	0	1	386.817	2.174	20	5		GEBDMN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCCOc3c(Cl)cccc32)n1	ZINC000599272884	652857701	/nfs/dbraw/zinc/85/77/01/652857701.db2.gz	SREKFKIAKHIKOU-LLVKDONJSA-N	0	1	386.817	2.174	20	5		GEBDMN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2(Cc3cccc(Cl)c3)CC2)n1	ZINC000599323702	652860705	/nfs/dbraw/zinc/86/07/05/652860705.db2.gz	IHSUCNCVRBWXDG-UHFFFAOYSA-N	0	1	384.845	2.283	20	5		GEBDMN
COC(=O)[C@@](C)(NS(=O)(=O)c1cc(C)cs1)c1cccc([N+](=O)[O-])c1	ZINC000599484625	652875928	/nfs/dbraw/zinc/87/59/28/652875928.db2.gz	ONMBQTHSZIBIMM-HNNXBMFYSA-N	0	1	384.435	2.331	20	5		GEBDMN
Cc1nnc([C@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)o1	ZINC000769907462	653189139	/nfs/dbraw/zinc/18/91/39/653189139.db2.gz	LYTUYWUMEXKTAJ-LURJTMIESA-N	0	1	391.203	2.088	20	5		GEBDMN
CCNC(=O)N1CC[C@@H](NCc2cc(Br)c([N+](=O)[O-])s2)C1	ZINC000602565281	653191108	/nfs/dbraw/zinc/19/11/08/653191108.db2.gz	DVZQVNYSTXUQRS-MRVPVSSYSA-N	0	1	377.264	2.312	20	5		GEBDMN
CCNC(=O)N1CC[C@H](NCc2cc(Br)c([N+](=O)[O-])s2)C1	ZINC000602565282	653191193	/nfs/dbraw/zinc/19/11/93/653191193.db2.gz	DVZQVNYSTXUQRS-QMMMGPOBSA-N	0	1	377.264	2.312	20	5		GEBDMN
CS(=O)(=O)N1CCC[C@@H]1CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000602574987	653192169	/nfs/dbraw/zinc/19/21/69/653192169.db2.gz	DDEJYPKEHBMUGA-GFCCVEGCSA-N	0	1	381.376	2.127	20	5		GEBDMN
O=C(OCc1cc(O)ccc1[N+](=O)[O-])c1c(Br)nc2n1CCOC2	ZINC000856953430	653261527	/nfs/dbraw/zinc/26/15/27/653261527.db2.gz	LJWXSJGXKPKWAJ-UHFFFAOYSA-N	0	1	398.169	2.147	20	5		GEBDMN
CC[N@@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1	ZINC000809813286	653297926	/nfs/dbraw/zinc/29/79/26/653297926.db2.gz	VPNLVZUHCOLPIZ-JTQLQIEISA-N	0	1	379.841	2.398	20	5		GEBDMN
CC[N@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1	ZINC000809813286	653297934	/nfs/dbraw/zinc/29/79/34/653297934.db2.gz	VPNLVZUHCOLPIZ-JTQLQIEISA-N	0	1	379.841	2.398	20	5		GEBDMN
CCC(CC)(NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(=O)OC	ZINC000809821428	653301371	/nfs/dbraw/zinc/30/13/71/653301371.db2.gz	SKKYDTUIHKIRFK-UHFFFAOYSA-N	0	1	382.797	2.397	20	5		GEBDMN
CCn1cnc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2Br)c1	ZINC000775202759	653304365	/nfs/dbraw/zinc/30/43/65/653304365.db2.gz	XPEPGWQZWAEHSH-UHFFFAOYSA-N	0	1	375.204	2.375	20	5		GEBDMN
CC[C@H](NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@@H](O)C(F)(F)F	ZINC000809829843	653305040	/nfs/dbraw/zinc/30/50/40/653305040.db2.gz	HQKUKRXHIWZIJX-OIBJUYFYSA-N	0	1	394.730	2.367	20	5		GEBDMN
CC(C)(NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(=O)N1CCCC1	ZINC000809841782	653308641	/nfs/dbraw/zinc/30/86/41/653308641.db2.gz	WUFSVIMXCIQGIN-UHFFFAOYSA-N	0	1	393.824	2.067	20	5		GEBDMN
CNS(=O)(=O)c1ccc(O)c(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1	ZINC000812361565	653424810	/nfs/dbraw/zinc/42/48/10/653424810.db2.gz	FEYDBFDUFZWRJG-UHFFFAOYSA-N	0	1	385.785	2.114	20	5		GEBDMN
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@@H](n1cccn1)C(F)(F)F	ZINC000859254757	653429430	/nfs/dbraw/zinc/42/94/30/653429430.db2.gz	CFRVUKYDZGRGQI-SNVBAGLBSA-N	0	1	382.295	2.012	20	5		GEBDMN
CS[C@@H]1CN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C[C@H]1N(C)C	ZINC000779916457	653616284	/nfs/dbraw/zinc/61/62/84/653616284.db2.gz	ASQFOULEWWSEKG-VXGBXAGGSA-N	0	1	393.918	2.223	20	5		GEBDMN
C[C@@H]1CCCN1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000780868338	653634591	/nfs/dbraw/zinc/63/45/91/653634591.db2.gz	WKUWEPBYFRZKHT-SNVBAGLBSA-N	0	1	381.376	2.376	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000814990250	653642084	/nfs/dbraw/zinc/64/20/84/653642084.db2.gz	JIMCIGVIEUNOFG-NEPJUHHUSA-N	0	1	377.825	2.292	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000814990250	653642085	/nfs/dbraw/zinc/64/20/85/653642085.db2.gz	JIMCIGVIEUNOFG-NEPJUHHUSA-N	0	1	377.825	2.292	20	5		GEBDMN
O=C(N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@@H]1CC1[N+](=O)[O-]	ZINC000839701469	653660904	/nfs/dbraw/zinc/66/09/04/653660904.db2.gz	LPVNXMXIHWGTDD-IQJOONFLSA-N	0	1	378.738	2.114	20	5		GEBDMN
O=C(N[C@H](CO)c1ccc(Br)cc1C(F)(F)F)[C@@H]1CC1[N+](=O)[O-]	ZINC000839748608	653662428	/nfs/dbraw/zinc/66/24/28/653662428.db2.gz	VOEXJTATDFDDSZ-FBIMIBRVSA-N	0	1	397.147	2.283	20	5		GEBDMN
Cn1ccc(S(=O)(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)n1	ZINC000840954290	653703886	/nfs/dbraw/zinc/70/38/86/653703886.db2.gz	GPDGIBKRIJDKHG-NSHDSACASA-N	0	1	382.295	2.049	20	5		GEBDMN
Cc1[nH]nc(C(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)c1[N+](=O)[O-]	ZINC000863578664	653716173	/nfs/dbraw/zinc/71/61/73/653716173.db2.gz	RSZCORXJTGBEOG-BXUZGUMPSA-N	0	1	395.213	2.337	20	5		GEBDMN
CC(C)(C)c1nnc(CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[nH]1	ZINC000841541467	653730284	/nfs/dbraw/zinc/73/02/84/653730284.db2.gz	ZNBUMDASEOCJMS-UHFFFAOYSA-N	0	1	391.812	2.281	20	5		GEBDMN
CC(C)(C)c1nc(CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)n[nH]1	ZINC000841541467	653730290	/nfs/dbraw/zinc/73/02/90/653730290.db2.gz	ZNBUMDASEOCJMS-UHFFFAOYSA-N	0	1	391.812	2.281	20	5		GEBDMN
CS(=O)(=O)c1ccc([C@@H](O)CNCc2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000819149108	653744399	/nfs/dbraw/zinc/74/43/99/653744399.db2.gz	HAPSQGPFDHZPQB-INIZCTEOSA-N	0	1	384.841	2.475	20	5		GEBDMN
CN1C[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])[C@@H]2C1	ZINC000819911702	653762044	/nfs/dbraw/zinc/76/20/44/653762044.db2.gz	LRDAYFNBZIKDRR-TVQRCGJNSA-N	0	1	377.825	2.102	20	5		GEBDMN
Cn1cc(CNC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(Br)n1	ZINC000896280706	653872462	/nfs/dbraw/zinc/87/24/62/653872462.db2.gz	AYZGSCRTAJNPEA-UHFFFAOYSA-N	0	1	395.261	2.244	20	5		GEBDMN
CCN1CCC(N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1	ZINC000795782832	653966075	/nfs/dbraw/zinc/96/60/75/653966075.db2.gz	AHDHXRIZEFBDMB-UHFFFAOYSA-N	0	1	379.841	2.492	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCc2noc(C3CC3)n2)c1	ZINC000795901906	653976143	/nfs/dbraw/zinc/97/61/43/653976143.db2.gz	ORQGTUNWQONXJD-UHFFFAOYSA-N	0	1	376.753	2.126	20	5		GEBDMN
COc1cc(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)ccn1	ZINC000798224892	654054634	/nfs/dbraw/zinc/05/46/34/654054634.db2.gz	MEFRVEVAAALBFQ-UHFFFAOYSA-N	0	1	375.765	2.269	20	5		GEBDMN
O=C(NC[C@H]1CCCCN1C1CC1)c1cc([N+](=O)[O-])ncc1Br	ZINC000830530073	654124303	/nfs/dbraw/zinc/12/43/03/654124303.db2.gz	VKFKFAOMDASVQW-LLVKDONJSA-N	0	1	383.246	2.499	20	5		GEBDMN
O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H]1CCCN2CCO	ZINC000889763901	654170068	/nfs/dbraw/zinc/17/00/68/654170068.db2.gz	OVXYKOZLIIUGQH-GJZGRUSLSA-N	0	1	398.257	2.029	20	5		GEBDMN
O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H]2[C@@H]1CCCN2CCO	ZINC000889770371	654171050	/nfs/dbraw/zinc/17/10/50/654171050.db2.gz	ZVATXQULKOAUAH-GJZGRUSLSA-N	0	1	398.257	2.029	20	5		GEBDMN
O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H]2[C@H]1CCCN2CCO	ZINC000889770372	654171230	/nfs/dbraw/zinc/17/12/30/654171230.db2.gz	ZVATXQULKOAUAH-HUUCEWRRSA-N	0	1	398.257	2.029	20	5		GEBDMN
CN(C)C[C@@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000851812976	654180762	/nfs/dbraw/zinc/18/07/62/654180762.db2.gz	QAQVZWKHQGBKQT-JTQLQIEISA-N	0	1	379.841	2.492	20	5		GEBDMN
Cn1ncc(I)c1CNCCc1ccccc1[N+](=O)[O-]	ZINC000894296736	654463315	/nfs/dbraw/zinc/46/33/15/654463315.db2.gz	AAPDRMIDBGXIEW-UHFFFAOYSA-N	0	1	386.193	2.265	20	5		GEBDMN
O=C([C@@H]1CC1[N+](=O)[O-])N1CCc2[nH]cnc2[C@@H]1c1ccc(Br)cc1	ZINC000911253590	654720621	/nfs/dbraw/zinc/72/06/21/654720621.db2.gz	FABPBAHWFZZBQV-KYOSRNDESA-N	0	1	391.225	2.312	20	5		GEBDMN
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCc2nc[nH]c2[C@@H]1c1ccc(Br)cc1	ZINC000911253590	654720623	/nfs/dbraw/zinc/72/06/23/654720623.db2.gz	FABPBAHWFZZBQV-KYOSRNDESA-N	0	1	391.225	2.312	20	5		GEBDMN
CN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)[C@@H]1CN2CCC1CC2	ZINC000932540122	654780583	/nfs/dbraw/zinc/78/05/83/654780583.db2.gz	UWUWYUVRXANTCF-CYBMUJFWSA-N	0	1	383.246	2.106	20	5		GEBDMN
COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1	ZINC001164721064	720341437	/nfs/dbraw/zinc/34/14/37/720341437.db2.gz	ABIZDSNLIDSHOB-IAGOWNOFSA-N	0	1	383.408	2.025	20	5		GEBDMN
CCOC(=O)c1ccnc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)c1[N+](=O)[O-]	ZINC001164732260	720469492	/nfs/dbraw/zinc/46/94/92/720469492.db2.gz	YVNIVLKYWMVVPY-SJORKVTESA-N	0	1	397.435	2.415	20	5		GEBDMN
Cn1cc(CN2CC[C@@H]3CN(c4cnc5cc([N+](=O)[O-])ccc5n4)C[C@@H]3C2)cn1	ZINC001164762136	721090958	/nfs/dbraw/zinc/09/09/58/721090958.db2.gz	COSVAUNALWTOQA-CVEARBPZSA-N	0	1	393.451	2.230	20	5		GEBDMN
Cn1cc(CN2CC[C@H]3CN(c4cnc5cc([N+](=O)[O-])ccc5n4)C[C@H]3C2)cn1	ZINC001164762141	721093219	/nfs/dbraw/zinc/09/32/19/721093219.db2.gz	COSVAUNALWTOQA-JKSUJKDBSA-N	0	1	393.451	2.230	20	5		GEBDMN
NC(=O)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000152136944	531532811	/nfs/dbraw/zinc/53/28/11/531532811.db2.gz	XJISZUXNFUAFQR-PSASIEDQSA-N	0	1	396.252	2.224	20	5		GEBDMN
O=C(Nc1cc(Br)c[nH]c1=O)c1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000068221062	531902251	/nfs/dbraw/zinc/90/22/51/531902251.db2.gz	CSYFTCRXPYAAMK-UHFFFAOYSA-N	0	1	378.142	2.174	20	5		GEBDMN
O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCN(C[C@H]2CCOC2)CC1	ZINC000178601755	532207398	/nfs/dbraw/zinc/20/73/98/532207398.db2.gz	KKYMTLBUIDVUQY-GFCCVEGCSA-N	0	1	398.257	2.152	20	5		GEBDMN
COC(=O)[C@@](C)(NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1	ZINC000186570292	532341213	/nfs/dbraw/zinc/34/12/13/532341213.db2.gz	FTCQEJXEQSAWID-AWEZNQCLSA-N	0	1	387.179	2.443	20	5		GEBDMN
O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC1(c2nnc[nH]2)CCC1	ZINC000190356650	532355695	/nfs/dbraw/zinc/35/56/95/532355695.db2.gz	NOJAIBCJRSKYRT-UHFFFAOYSA-N	0	1	380.202	2.214	20	5		GEBDMN
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@H](CO)c1ccccc1Cl	ZINC000557863212	532377745	/nfs/dbraw/zinc/37/77/45/532377745.db2.gz	IJSYZXNTGUXPBQ-SNVBAGLBSA-N	0	1	388.804	2.442	20	5		GEBDMN
Cc1c(Br)cc(C(=O)N2CC[C@@H](c3nc[nH]n3)C2)cc1[N+](=O)[O-]	ZINC000425069926	532363257	/nfs/dbraw/zinc/36/32/57/532363257.db2.gz	WAVHAASNWKJVBC-SECBINFHSA-N	0	1	380.202	2.414	20	5		GEBDMN
Cn1cc([N+](=O)[O-])c(C(=O)Nc2n[nH]c(-c3cc(Cl)ccc3Cl)n2)n1	ZINC000463165351	532369058	/nfs/dbraw/zinc/36/90/58/532369058.db2.gz	WFIJBYIYTMXPOS-UHFFFAOYSA-N	0	1	382.167	2.673	20	5		GEBDMN
O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H](c2nc[nH]n2)C1	ZINC000425672746	532388488	/nfs/dbraw/zinc/38/84/88/532388488.db2.gz	LQDSMISSWHRFIU-MRVPVSSYSA-N	0	1	381.190	2.497	20	5		GEBDMN
O=C(Nc1nc(SCCO)n[nH]1)c1cc([N+](=O)[O-])ccc1C(F)(F)F	ZINC000295090932	532402858	/nfs/dbraw/zinc/40/28/58/532402858.db2.gz	XVHPDKOYTQDHFA-UHFFFAOYSA-N	0	1	377.304	2.068	20	5		GEBDMN
CC(C)[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCN1	ZINC000592380315	532453772	/nfs/dbraw/zinc/45/37/72/532453772.db2.gz	QVYNVHSLWCKLMB-GFCCVEGCSA-N	0	1	381.376	2.232	20	5		GEBDMN
Cn1ncc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1C(F)(F)F	ZINC000436165177	532628749	/nfs/dbraw/zinc/62/87/49/532628749.db2.gz	XDQUHEUMBYWAAP-UHFFFAOYSA-N	0	1	378.332	2.332	20	5		GEBDMN
Cc1cc(C2(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)s3)CCOCC2)on1	ZINC000599515322	532664976	/nfs/dbraw/zinc/66/49/76/532664976.db2.gz	RMNRVXIRHUPGBR-UHFFFAOYSA-N	0	1	387.439	2.245	20	5		GEBDMN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC2CC(F)(c3cccc(Cl)c3)C2)n1	ZINC000599302420	532657782	/nfs/dbraw/zinc/65/77/82/532657782.db2.gz	IQBCAQUTBRLKQK-UHFFFAOYSA-N	0	1	388.808	2.287	20	5		GEBDMN
C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000286127142	532730181	/nfs/dbraw/zinc/73/01/81/532730181.db2.gz	WDHHYRLXQBXSAB-BXKDBHETSA-N	0	1	379.841	2.348	20	5		GEBDMN
C[C@H]1CN(C2CCN(c3c(Br)cncc3[N+](=O)[O-])CC2)CCO1	ZINC000301988660	532764351	/nfs/dbraw/zinc/76/43/51/532764351.db2.gz	NYMXGOCECKGQSE-NSHDSACASA-N	0	1	385.262	2.442	20	5		GEBDMN
NS(=O)(=O)c1cccc(Sc2nc(-c3ccccc3)n[nH]2)c1[N+](=O)[O-]	ZINC000542772322	532779770	/nfs/dbraw/zinc/77/97/70/532779770.db2.gz	GHXFQOCGLAYEFI-UHFFFAOYSA-N	0	1	377.407	2.179	20	5		GEBDMN
O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2C[C@H](O)C[C@@H]2CO)cc1	ZINC000359974498	209208466	/nfs/dbraw/zinc/20/84/66/209208466.db2.gz	OXHQZHBTZVUOBL-WOJBJXKFSA-N	0	1	394.431	2.375	20	5		GEBDMN
CC(C)OC(=O)C[C@H](NC(=O)[C@H]1C[C@H]1c1nc[nH]n1)c1ccccc1[N+](=O)[O-]	ZINC000359898291	209200296	/nfs/dbraw/zinc/20/02/96/209200296.db2.gz	MUFBBFLWAYFZKA-RDBSUJKOSA-N	0	1	387.396	2.016	20	5		GEBDMN
CS[C@H]1CN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@H]1N1CCCC1	ZINC000332089384	532849113	/nfs/dbraw/zinc/84/91/13/532849113.db2.gz	UOYYEWUCIRQPBT-CVEARBPZSA-N	0	1	385.511	2.104	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H]2CC[N@@H+](C3CC3)C2)cc1Cl	ZINC000289548000	532858444	/nfs/dbraw/zinc/85/84/44/532858444.db2.gz	RSNKLPGTWKRWDM-SECBINFHSA-N	0	1	377.825	2.150	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H]2CC[N@H+](C3CC3)C2)cc1Cl	ZINC000289548000	532858447	/nfs/dbraw/zinc/85/84/47/532858447.db2.gz	RSNKLPGTWKRWDM-SECBINFHSA-N	0	1	377.825	2.150	20	5		GEBDMN
Cc1noc([C@H](C)NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1	ZINC000416384444	532874763	/nfs/dbraw/zinc/87/47/63/532874763.db2.gz	NTCLQPMAQHVWDL-LURJTMIESA-N	0	1	380.304	2.345	20	5		GEBDMN
CN1CC=C(CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1	ZINC000290840408	532890227	/nfs/dbraw/zinc/89/02/27/532890227.db2.gz	VLQFJEOMUUSBFW-UHFFFAOYSA-N	0	1	380.253	2.442	20	5		GEBDMN
CNS(=O)(=O)[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1	ZINC000362635458	532896386	/nfs/dbraw/zinc/89/63/86/532896386.db2.gz	ALSHZCBPGDNLSN-HNNXBMFYSA-N	0	1	381.479	2.447	20	5		GEBDMN
O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCc3c(Br)cccc3C2)c1	ZINC000368780856	532934365	/nfs/dbraw/zinc/93/43/65/532934365.db2.gz	XGUASQKMGRMHBS-CQSZACIVSA-N	0	1	395.257	2.363	20	5		GEBDMN
O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H](c2nc[nH]n2)C1	ZINC000370362895	532943050	/nfs/dbraw/zinc/94/30/50/532943050.db2.gz	FQRNYEIOLSFUIF-LLVKDONJSA-N	0	1	394.229	2.424	20	5		GEBDMN
Cc1ccnc(NC[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)C2)c1	ZINC000737436134	598672115	/nfs/dbraw/zinc/67/21/15/598672115.db2.gz	FJCIBFLUKYODHS-ZDUSSCGKSA-N	0	1	380.412	2.417	20	5		GEBDMN
O=c1c(-c2nn[nH]n2)cn(CCOc2ccc([N+](=O)[O-])cc2)c2ccccc12	ZINC000738370312	598720379	/nfs/dbraw/zinc/72/03/79/598720379.db2.gz	BVVNERVVKFZRGS-UHFFFAOYSA-N	0	1	378.348	2.169	20	5		GEBDMN
O=[N+]([O-])c1sccc1N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1	ZINC000738373859	598745318	/nfs/dbraw/zinc/74/53/18/598745318.db2.gz	IKQBZTLKFKDWIQ-UHFFFAOYSA-N	0	1	388.413	2.028	20	5		GEBDMN
O=[N+]([O-])c1ccc(N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)s1	ZINC000738370016	598745569	/nfs/dbraw/zinc/74/55/69/598745569.db2.gz	MKJLZOORDUZASG-UHFFFAOYSA-N	0	1	388.413	2.028	20	5		GEBDMN
Cc1[nH]nc(C(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)CC(C)C)c1[N+](=O)[O-]	ZINC000737202753	598820602	/nfs/dbraw/zinc/82/06/02/598820602.db2.gz	QOPYSVDATBCWOC-UHFFFAOYSA-N	0	1	384.400	2.105	20	5		GEBDMN
C[C@@H](NC(=O)c1ccc(N2CCC[N@H+](C(C)(C)C)CC2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000736656805	600433004	/nfs/dbraw/zinc/43/30/04/600433004.db2.gz	MDMKKQKYOOYBNZ-CYBMUJFWSA-N	0	1	392.456	2.108	20	5		GEBDMN
C[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1([NH+]2CCOCC2)CCCC1	ZINC000736653268	601094996	/nfs/dbraw/zinc/09/49/96/601094996.db2.gz	XJSFWOOTWDNBBX-ZDUSSCGKSA-N	0	1	391.424	2.056	20	5		GEBDMN
O=C([O-])[C@@H]1c2ccccc2CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21	ZINC000595889952	601544221	/nfs/dbraw/zinc/54/42/21/601544221.db2.gz	JZBBKRYTPFDIMX-IBGZPJMESA-N	0	1	381.388	2.168	20	5		GEBDMN
O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21	ZINC000595889952	601544223	/nfs/dbraw/zinc/54/42/23/601544223.db2.gz	JZBBKRYTPFDIMX-IBGZPJMESA-N	0	1	381.388	2.168	20	5		GEBDMN
CC(C)C[N@H+]1CC[C@H](CNc2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000826881550	601688298	/nfs/dbraw/zinc/68/82/98/601688298.db2.gz	YNKFKVAVUXLRMQ-ZIAGYGMSSA-N	0	1	392.456	2.188	20	5		GEBDMN
Nc1c(C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-]	ZINC000833089995	601778216	/nfs/dbraw/zinc/77/82/16/601778216.db2.gz	LBAOXPKLLCZZQU-HXUWFJFHSA-N	0	1	398.419	2.026	20	5		GEBDMN
Nc1c(C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-]	ZINC000833089994	601778229	/nfs/dbraw/zinc/77/82/29/601778229.db2.gz	LBAOXPKLLCZZQU-FQEVSTJZSA-N	0	1	398.419	2.026	20	5		GEBDMN
CN(CC1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1)C(=O)[O-]	ZINC000739663785	602387313	/nfs/dbraw/zinc/38/73/13/602387313.db2.gz	BIFXITXIRVEWQZ-UHFFFAOYSA-N	0	1	375.385	2.467	20	5		GEBDMN
CC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C1CCCCC1	ZINC000825146668	607603142	/nfs/dbraw/zinc/60/31/42/607603142.db2.gz	FDXMNGCAAVWYRJ-GFCCVEGCSA-N	0	1	394.457	2.412	20	5		GEBDMN
CCN([C@H]1CCCC[C@@H]1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000825394384	607604921	/nfs/dbraw/zinc/60/49/21/607604921.db2.gz	BIYHHXSJEISXJY-RYUDHWBXSA-N	0	1	394.457	2.364	20	5		GEBDMN
CCCC[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000825266687	607606310	/nfs/dbraw/zinc/60/63/10/607606310.db2.gz	GMLLUVKRZXHXLH-NEPJUHHUSA-N	0	1	394.457	2.412	20	5		GEBDMN
CCC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000825251569	607606596	/nfs/dbraw/zinc/60/65/96/607606596.db2.gz	CLJKAEGSYAMGRK-VXGBXAGGSA-N	0	1	394.457	2.412	20	5		GEBDMN
C[C@@H](CCC(C)(C)C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000824400945	607619716	/nfs/dbraw/zinc/61/97/16/607619716.db2.gz	NACLBWRJZZLLMY-JTQLQIEISA-N	0	1	382.446	2.268	20	5		GEBDMN
CCN(CC1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1)C(=O)[O-]	ZINC000827089512	603538942	/nfs/dbraw/zinc/53/89/42/603538942.db2.gz	JTQRRSDEQCHPNZ-QGZVFWFLSA-N	0	1	390.440	2.412	20	5		GEBDMN
CCN(CC1CC[NH+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC1)C(=O)[O-]	ZINC000827105303	603913044	/nfs/dbraw/zinc/91/30/44/603913044.db2.gz	WOQQTUFZUPWMNC-UHFFFAOYSA-N	0	1	376.417	2.317	20	5		GEBDMN
CC1(C)CCCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000824802488	607669128	/nfs/dbraw/zinc/66/91/28/607669128.db2.gz	NMXIETWZVOPEEY-GFCCVEGCSA-N	0	1	380.430	2.022	20	5		GEBDMN
O=C([O-])N[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]21	ZINC000834184407	605443988	/nfs/dbraw/zinc/44/39/88/605443988.db2.gz	GXFGIVVSZKCRLS-BASLNEPJSA-N	0	1	388.424	2.068	20	5		GEBDMN
O=C([O-])N1CCC2(CC[N@@H+](Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C2)CC1	ZINC000834091809	605862344	/nfs/dbraw/zinc/86/23/44/605862344.db2.gz	JEUYPMQJWWCKFL-UHFFFAOYSA-N	0	1	386.412	2.277	20	5		GEBDMN
C[C@H]1CN(C(C)(C)CNc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)C[C@H](C)O1	ZINC000820742887	606644533	/nfs/dbraw/zinc/64/45/33/606644533.db2.gz	NGMJWDKIGZKBHO-RYUDHWBXSA-N	0	1	375.433	2.075	20	5		GEBDMN
CCCCN(CCCC)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000821065523	606730328	/nfs/dbraw/zinc/73/03/28/606730328.db2.gz	KBAHZFJMTUVFCY-UHFFFAOYSA-N	0	1	382.446	2.366	20	5		GEBDMN
Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1ccc(-c2nn[nH]n2)cc1	ZINC000826272284	608464608	/nfs/dbraw/zinc/46/46/08/608464608.db2.gz	CBPSMSPFDMJDNR-LBPRGKRZSA-N	0	1	381.396	2.373	20	5		GEBDMN
Cc1ccc([C@@H](C)NCC(=O)NCc2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-]	ZINC000826283029	608554188	/nfs/dbraw/zinc/55/41/88/608554188.db2.gz	ISBAIBKSIGZRGP-CYBMUJFWSA-N	0	1	395.423	2.050	20	5		GEBDMN
Cc1ccc([C@H](C)NCC(=O)Nc2sccc2-c2nn[nH]n2)cc1[N+](=O)[O-]	ZINC000826283322	608554245	/nfs/dbraw/zinc/55/42/45/608554245.db2.gz	OQKPPSCNQKJLQT-JTQLQIEISA-N	0	1	387.425	2.434	20	5		GEBDMN
O=[N+]([O-])c1ccc(O)cc1CN1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1	ZINC000826499218	608852338	/nfs/dbraw/zinc/85/23/38/608852338.db2.gz	ZXJUACHTEALQKR-QGZVFWFLSA-N	0	1	382.380	2.054	20	5		GEBDMN
O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCCCN1CCO	ZINC000452795646	650197633	/nfs/dbraw/zinc/19/76/33/650197633.db2.gz	JQWLXRRYEBHRHX-ZDUSSCGKSA-N	0	1	387.889	2.303	20	5		GEBDMN
NC(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1	ZINC000462355652	650476770	/nfs/dbraw/zinc/47/67/70/650476770.db2.gz	GIQDWBOZLATPQZ-APPZFPTMSA-N	0	1	396.252	2.224	20	5		GEBDMN
C[C@H]1C[C@@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCN1C	ZINC000462484183	650481646	/nfs/dbraw/zinc/48/16/46/650481646.db2.gz	JJXCNZVYKXWGFU-ONGXEEELSA-N	0	1	392.275	2.118	20	5		GEBDMN
Cc1sc(S(=O)(=O)Nc2cc(S(C)(=O)=O)ccc2F)cc1[N+](=O)[O-]	ZINC000466975383	650500758	/nfs/dbraw/zinc/50/07/58/650500758.db2.gz	XNEOSCQBFAGTOK-UHFFFAOYSA-N	0	1	394.427	2.308	20	5		GEBDMN
O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)c1ccc([N+](=O)[O-])[nH]1	ZINC000524272997	650640022	/nfs/dbraw/zinc/64/00/22/650640022.db2.gz	ZLUCKKZOUOMLQC-UHFFFAOYSA-N	0	1	391.185	2.401	20	5		GEBDMN
O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccc([N+](=O)[O-])[nH]1	ZINC000524272997	650640024	/nfs/dbraw/zinc/64/00/24/650640024.db2.gz	ZLUCKKZOUOMLQC-UHFFFAOYSA-N	0	1	391.185	2.401	20	5		GEBDMN
Cc1c(Cl)cc(S(=O)(=O)NC[C@]2(N(C)C)CCSC2)cc1[N+](=O)[O-]	ZINC000481393932	650645879	/nfs/dbraw/zinc/64/58/79/650645879.db2.gz	RXNQGRYMOMVWRJ-CQSZACIVSA-N	0	1	393.918	2.272	20	5		GEBDMN
CCOc1cc(Cl)ccc1CNS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-]	ZINC000532855531	650754203	/nfs/dbraw/zinc/75/42/03/650754203.db2.gz	WEDQEIQLACDKRV-UHFFFAOYSA-N	0	1	388.833	2.342	20	5		GEBDMN
CN1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2I)C1	ZINC000040452332	642524391	/nfs/dbraw/zinc/52/43/91/642524391.db2.gz	KNFUMVOGEBTECC-VIFPVBQESA-N	0	1	389.193	2.023	20	5		GEBDMN
CCN(CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC1	ZINC000066577391	642923053	/nfs/dbraw/zinc/92/30/53/642923053.db2.gz	PMISYBAKRWIZMM-UHFFFAOYSA-N	0	1	392.275	2.120	20	5		GEBDMN
Cc1noc([C@@H](C)NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)n1	ZINC000066577013	642923203	/nfs/dbraw/zinc/92/32/03/642923203.db2.gz	RAYAECRCHZGXNE-ZCFIWIBFSA-N	0	1	391.203	2.088	20	5		GEBDMN
C[C@@H]1[C@H](C)N(C)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br	ZINC000536694413	650805780	/nfs/dbraw/zinc/80/57/80/650805780.db2.gz	QDEVOGSYRHVFHB-WDEREUQCSA-N	0	1	385.262	2.320	20	5		GEBDMN
COc1cc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])cc(Br)c1OC	ZINC000128602970	643806593	/nfs/dbraw/zinc/80/65/93/643806593.db2.gz	DWEUAYNRORFUIM-UHFFFAOYSA-N	0	1	385.174	2.028	20	5		GEBDMN
CN(C1CCN(C)CC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000172955015	644347796	/nfs/dbraw/zinc/34/77/96/644347796.db2.gz	HIWRZGYXBMDUHD-UHFFFAOYSA-N	0	1	392.275	2.072	20	5		GEBDMN
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2)c1	ZINC000543657529	650917414	/nfs/dbraw/zinc/91/74/14/650917414.db2.gz	JACDQSTYIVLWKO-UHFFFAOYSA-N	0	1	384.435	2.416	20	5		GEBDMN
C[NH+](C)CC(C)(C)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000194189843	645315502	/nfs/dbraw/zinc/31/55/02/645315502.db2.gz	KTBXCYCHNKCEDR-UHFFFAOYSA-N	0	1	394.291	2.223	20	5		GEBDMN
COCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000265742938	645796808	/nfs/dbraw/zinc/79/68/08/645796808.db2.gz	WRGSNFFAVWLUHO-CYBMUJFWSA-N	0	1	385.829	2.231	20	5		GEBDMN
O=C(CSc1n[nH]c(=S)s1)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000266949387	645866881	/nfs/dbraw/zinc/86/68/81/645866881.db2.gz	DNGZBWJNRQLEDT-UHFFFAOYSA-N	0	1	397.507	2.176	20	5		GEBDMN
O=C(N[C@H]1CCN(c2cccc(Br)c2)C1)c1n[nH]cc1[N+](=O)[O-]	ZINC000279175540	646582333	/nfs/dbraw/zinc/58/23/33/646582333.db2.gz	HUOBWEWYWUTXTQ-JTQLQIEISA-N	0	1	380.202	2.089	20	5		GEBDMN
O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H](c2nc[nH]n2)C1	ZINC000366561136	647701919	/nfs/dbraw/zinc/70/19/19/647701919.db2.gz	ZGURTMAPSVIPDX-VIFPVBQESA-N	0	1	380.202	2.495	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCC(c3nc[nH]n3)CC2)cc1Cl	ZINC000377850690	647869224	/nfs/dbraw/zinc/86/92/24/647869224.db2.gz	GDRYFHFLEVDBBX-UHFFFAOYSA-N	0	1	389.796	2.074	20	5		GEBDMN
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](c2nc[nH]n2)C1	ZINC000378192209	647878506	/nfs/dbraw/zinc/87/85/06/647878506.db2.gz	XRWOFHYDHLUNOF-SNVBAGLBSA-N	0	1	385.833	2.243	20	5		GEBDMN
Cc1nc([C@H](C)NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1	ZINC000416491624	648147047	/nfs/dbraw/zinc/14/70/47/648147047.db2.gz	ZUDDUKUYWWWOMV-LURJTMIESA-N	0	1	379.320	2.080	20	5		GEBDMN
CS(=O)(=O)Cc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1F	ZINC000442355377	648842004	/nfs/dbraw/zinc/84/20/04/648842004.db2.gz	UPHMOAMZFHQXEP-UHFFFAOYSA-N	0	1	388.398	2.079	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCSCCCO	ZINC000443303835	648871279	/nfs/dbraw/zinc/87/12/79/648871279.db2.gz	BCCXVVWDKMSIOK-UHFFFAOYSA-N	0	1	389.282	2.296	20	5		GEBDMN
CC[C@@H](NS(=O)(=O)c1csnc1C(=O)OC)c1cccc([N+](=O)[O-])c1	ZINC000443356750	648873613	/nfs/dbraw/zinc/87/36/13/648873613.db2.gz	YOGDUNRCPROIQM-LLVKDONJSA-N	0	1	385.423	2.268	20	5		GEBDMN
CC(C)OCc1nc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])s2)no1	ZINC000563482423	651526531	/nfs/dbraw/zinc/52/65/31/651526531.db2.gz	NDIAYKWTZRXWIF-MRVPVSSYSA-N	0	1	376.416	2.004	20	5		GEBDMN
O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NC[C@H]1CCN(C2CC2)C1	ZINC000731967730	651641335	/nfs/dbraw/zinc/64/13/35/651641335.db2.gz	PIOVKSQJBFESFD-SNVBAGLBSA-N	0	1	375.397	2.487	20	5		GEBDMN
CCc1cc(CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)n[nH]1	ZINC000738382260	651894871	/nfs/dbraw/zinc/89/48/71/651894871.db2.gz	DPMVKERYRSVILD-UHFFFAOYSA-N	0	1	389.231	2.121	20	5		GEBDMN
CCc1cc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)on1	ZINC000742302702	651977078	/nfs/dbraw/zinc/97/70/78/651977078.db2.gz	OQMRLTRCFFLMEZ-UHFFFAOYSA-N	0	1	390.215	2.386	20	5		GEBDMN
O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1CCc2cn[nH]c2C1	ZINC000750565647	652298910	/nfs/dbraw/zinc/29/89/10/652298910.db2.gz	GHSRPRYNHPSSCB-UHFFFAOYSA-N	0	1	376.316	2.174	20	5		GEBDMN
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCC[C@@H]1CCC[NH2+]1	ZINC000592392529	652593273	/nfs/dbraw/zinc/59/32/73/652593273.db2.gz	GQTVMNWZZSLAJP-NSHDSACASA-N	0	1	392.275	2.168	20	5		GEBDMN
O=C(NCc1n[nH]c([C@H]2CCCO2)n1)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000594385328	652646751	/nfs/dbraw/zinc/64/67/51/652646751.db2.gz	KFEVZJXPILMJBR-LLVKDONJSA-N	0	1	396.201	2.257	20	5		GEBDMN
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]12	ZINC000762527731	652698066	/nfs/dbraw/zinc/69/80/66/652698066.db2.gz	VQPLCBSHXNKGCJ-USWWRNFRSA-N	0	1	378.472	2.392	20	5		GEBDMN
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12	ZINC000762527733	652698091	/nfs/dbraw/zinc/69/80/91/652698091.db2.gz	VQPLCBSHXNKGCJ-YUSALJHKSA-N	0	1	378.472	2.392	20	5		GEBDMN
O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3COC[C@H]3O)o2)c(Br)c1	ZINC000601140140	652956187	/nfs/dbraw/zinc/95/61/87/652956187.db2.gz	TWZJISBKAFLMIU-UONOGXRCSA-N	0	1	383.198	2.467	20	5		GEBDMN
O=C1COc2ccc(S(=O)(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)cc2N1	ZINC000768868446	653134189	/nfs/dbraw/zinc/13/41/89/653134189.db2.gz	NGDNVCZSLQGCLC-UHFFFAOYSA-N	0	1	383.769	2.380	20	5		GEBDMN
CS(=O)(=O)Cc1cccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1	ZINC000768881507	653135076	/nfs/dbraw/zinc/13/50/76/653135076.db2.gz	APWGYZQTURLXEB-UHFFFAOYSA-N	0	1	376.437	2.002	20	5		GEBDMN
Cc1ncc([N+](=O)[O-])n1CCN(CCO)Cc1cc(Br)cs1	ZINC000602818244	653208248	/nfs/dbraw/zinc/20/82/48/653208248.db2.gz	CNUWCOVBDIYJRR-UHFFFAOYSA-N	0	1	389.275	2.418	20	5		GEBDMN
C[NH+](C)[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCSC1	ZINC000809824877	653302609	/nfs/dbraw/zinc/30/26/09/653302609.db2.gz	WNVOAOUJQKVGLW-CYBMUJFWSA-N	0	1	397.881	2.103	20	5		GEBDMN
CCOC(=O)C1=CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1	ZINC000859316955	653440239	/nfs/dbraw/zinc/44/02/39/653440239.db2.gz	IEOBCQVEGKEFIP-SECBINFHSA-N	0	1	392.792	2.318	20	5		GEBDMN
Cn1ncc([N+](=O)[O-])c1C(=O)OCc1nc2ccc(Br)cc2[nH]1	ZINC000780521527	653627085	/nfs/dbraw/zinc/62/70/85/653627085.db2.gz	OLESKKNNNVFZCH-UHFFFAOYSA-N	0	1	380.158	2.324	20	5		GEBDMN
C[C@@H](CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)N1CCCC1	ZINC000780703962	653630974	/nfs/dbraw/zinc/63/09/74/653630974.db2.gz	ITSIHOISIMVILW-JTQLQIEISA-N	0	1	392.275	2.120	20	5		GEBDMN
C[C@@H]1CCCN1CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000780864652	653633899	/nfs/dbraw/zinc/63/38/99/653633899.db2.gz	DSQCYMAERKYADH-SNVBAGLBSA-N	0	1	392.275	2.120	20	5		GEBDMN
Cc1nc(C(C)(C)NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])no1	ZINC000815007984	653642776	/nfs/dbraw/zinc/64/27/76/653642776.db2.gz	KHYBOGIVIOHENW-UHFFFAOYSA-N	0	1	378.769	2.292	20	5		GEBDMN
CS[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@@H]1N(C)C	ZINC000815028981	653645834	/nfs/dbraw/zinc/64/58/34/653645834.db2.gz	IJDWLSNSAPBALS-NWDGAFQWSA-N	0	1	397.881	2.053	20	5		GEBDMN
O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000839692473	653660442	/nfs/dbraw/zinc/66/04/42/653660442.db2.gz	UFYLRJITESJXRI-ZIAGYGMSSA-N	0	1	379.214	2.492	20	5		GEBDMN
O=C(NCc1ccc(I)cc1Cl)[C@@H]1CC1[N+](=O)[O-]	ZINC000839748487	653662499	/nfs/dbraw/zinc/66/24/99/653662499.db2.gz	SNSUZRAOQPUFIH-PSASIEDQSA-N	0	1	380.569	2.226	20	5		GEBDMN
O=C(OCc1nc(Cc2cccc(Br)c2)no1)[C@@H]1CC1[N+](=O)[O-]	ZINC000840671576	653690749	/nfs/dbraw/zinc/69/07/49/653690749.db2.gz	XNIKAYOHDCUCOL-GHMZBOCLSA-N	0	1	382.170	2.131	20	5		GEBDMN
COC(=O)[C@H](CC1CC1)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000841555732	653732441	/nfs/dbraw/zinc/73/24/41/653732441.db2.gz	PDWLGIDECIFHNN-JTQLQIEISA-N	0	1	380.781	2.007	20	5		GEBDMN
CN(CC(=O)NCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCSC1	ZINC000881863744	653744312	/nfs/dbraw/zinc/74/43/12/653744312.db2.gz	DJEWSWMFEGLKBN-GFCCVEGCSA-N	0	1	388.287	2.411	20	5		GEBDMN
CC(C)(C)[C@@H](C[NH3+])[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000842483801	653758262	/nfs/dbraw/zinc/75/82/62/653758262.db2.gz	QKRXMKQMVVGQIS-LLVKDONJSA-N	0	1	380.264	2.009	20	5		GEBDMN
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CC[C@H](c3nc[nH]n3)C2)c1Cl	ZINC000819912816	653762397	/nfs/dbraw/zinc/76/23/97/653762397.db2.gz	WRSPWCUYJONZKE-ZETCQYMHSA-N	0	1	392.224	2.198	20	5		GEBDMN
C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1	ZINC000842699324	653763512	/nfs/dbraw/zinc/76/35/12/653763512.db2.gz	KULXWPARDPOXIL-ZJUUUORDSA-N	0	1	392.275	2.024	20	5		GEBDMN
CC1=NO[C@@H](CNCc2cc(I)cc([N+](=O)[O-])c2)C1	ZINC000895304152	653826558	/nfs/dbraw/zinc/82/65/58/653826558.db2.gz	GUVFJOXZCXCDEB-GFCCVEGCSA-N	0	1	375.166	2.454	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCCOc2cccnc2)c1	ZINC000795840567	653969656	/nfs/dbraw/zinc/96/96/56/653969656.db2.gz	XUGZYCZNRYXGHF-UHFFFAOYSA-N	0	1	375.765	2.140	20	5		GEBDMN
CCOC(=O)[C@H](C)[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000795925126	653977349	/nfs/dbraw/zinc/97/73/49/653977349.db2.gz	CLIPCGDHUPZIOY-HTQZYQBOSA-N	0	1	382.797	2.253	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCc2nccn2C(F)F)c1	ZINC000798229071	654056058	/nfs/dbraw/zinc/05/60/58/654056058.db2.gz	XRZLAOOOYPDTDI-UHFFFAOYSA-N	0	1	384.723	2.457	20	5		GEBDMN
C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CN(C)CCN1C	ZINC000900812092	654082182	/nfs/dbraw/zinc/08/21/82/654082182.db2.gz	RHHMPABZMKZIKE-RISCZKNCSA-N	0	1	386.905	2.091	20	5		GEBDMN
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCC[C@H](O)C(F)(F)F)c1Cl	ZINC000830633293	654131075	/nfs/dbraw/zinc/13/10/75/654131075.db2.gz	MCMGMXHBOICQJC-ZETCQYMHSA-N	0	1	397.158	2.493	20	5		GEBDMN
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N[C@H](CO)CC(F)F)c1Cl	ZINC000831276017	654176333	/nfs/dbraw/zinc/17/63/33/654176333.db2.gz	HQDDYELDHBULDC-YFKPBYRVSA-N	0	1	379.168	2.196	20	5		GEBDMN
CC[C@@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@H](O)C(F)F	ZINC000831904067	654217471	/nfs/dbraw/zinc/21/74/71/654217471.db2.gz	ZIKMJIXMSMATBR-XCBNKYQSSA-N	0	1	376.740	2.070	20	5		GEBDMN
Cc1nc([C@H](C)NCc2cc(I)cc([N+](=O)[O-])c2)n[nH]1	ZINC000894773410	654498384	/nfs/dbraw/zinc/49/83/84/654498384.db2.gz	GXBWBTGMAWAZPL-ZETCQYMHSA-N	0	1	387.181	2.477	20	5		GEBDMN
C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1(Br)CC1	ZINC000926150302	654561043	/nfs/dbraw/zinc/56/10/43/654561043.db2.gz	ITLJPBLXEGNXDJ-JTQLQIEISA-N	0	1	377.260	2.274	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)c1	ZINC001164731031	720406155	/nfs/dbraw/zinc/40/61/55/720406155.db2.gz	YEVBGWBQLPNBGF-CABCVRRESA-N	0	1	375.816	2.130	20	5		GEBDMN
O=[N+]([O-])c1cccc2ncnc(N3CCc4ncc(CN5CCCC5)n4CC3)c21	ZINC001164736610	720591636	/nfs/dbraw/zinc/59/16/36/720591636.db2.gz	OXGPBDPZBFIICC-UHFFFAOYSA-N	0	1	393.451	2.393	20	5		GEBDMN
O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)c1	ZINC001164968126	722077964	/nfs/dbraw/zinc/07/79/64/722077964.db2.gz	ROWBPIABAPAPPG-OKILXGFUSA-N	0	1	389.843	2.491	20	5		GEBDMN
Cc1c(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cnn1C	ZINC000152608296	531560962	/nfs/dbraw/zinc/56/09/62/531560962.db2.gz	KPPOOTBOCSJHTN-UHFFFAOYSA-N	0	1	379.225	2.422	20	5		GEBDMN
O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H](c2nn[nH]n2)C1	ZINC000133389470	532233748	/nfs/dbraw/zinc/23/37/48/532233748.db2.gz	YHWLWPYFZHEWSE-SECBINFHSA-N	0	1	382.833	2.260	20	5		GEBDMN
CCC[C@@H](NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)c1nn[nH]n1	ZINC000133427458	532234195	/nfs/dbraw/zinc/23/41/95/532234195.db2.gz	BXAISVPZQDUWRO-SNVBAGLBSA-N	0	1	383.206	2.450	20	5		GEBDMN
CNC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c(Cl)c1	ZINC000135968627	532280849	/nfs/dbraw/zinc/28/08/49/532280849.db2.gz	ZARFABRLUCSWDM-UHFFFAOYSA-N	0	1	375.815	2.470	20	5		GEBDMN
Cc1ccc([C@@H](C)NC[C@@H](O)CS(=O)(=O)c2cccs2)cc1[N+](=O)[O-]	ZINC000181633682	532303757	/nfs/dbraw/zinc/30/37/57/532303757.db2.gz	NJEJRPXAKOYLJQ-TZMCWYRMSA-N	0	1	384.479	2.450	20	5		GEBDMN
O=C(c1cccc([N+](=O)[O-])c1Br)N1CCN(C2CCOCC2)CC1	ZINC000192368831	532403125	/nfs/dbraw/zinc/40/31/25/532403125.db2.gz	RCPDYROGOGZIQR-UHFFFAOYSA-N	0	1	398.257	2.294	20	5		GEBDMN
C[C@H](CCCC[NH3+])[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000427958772	532439753	/nfs/dbraw/zinc/43/97/53/532439753.db2.gz	KGNLBSDNYWOAPQ-SECBINFHSA-N	0	1	380.264	2.153	20	5		GEBDMN
CC(C)[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1	ZINC000592381016	532453113	/nfs/dbraw/zinc/45/31/13/532453113.db2.gz	YZKJPPZGVIFBIN-LLVKDONJSA-N	0	1	381.376	2.232	20	5		GEBDMN
CCOC(=O)[C@H](C)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000431297503	532510518	/nfs/dbraw/zinc/51/05/18/532510518.db2.gz	ROKPKAOKCUCLRZ-SSDOTTSWSA-N	0	1	385.225	2.379	20	5		GEBDMN
CO[C@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@@H]1CCOC1	ZINC000594799576	532531835	/nfs/dbraw/zinc/53/18/35/532531835.db2.gz	FQAVHHQVERVDAH-PRHODGIISA-N	0	1	399.252	2.231	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CCn2ccnc2C1	ZINC000492194319	532713084	/nfs/dbraw/zinc/71/30/84/532713084.db2.gz	QWGLQAQUNLSBQS-SECBINFHSA-N	0	1	391.236	2.391	20	5		GEBDMN
COCCN1CC[C@H](NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1	ZINC000269909541	532793061	/nfs/dbraw/zinc/79/30/61/532793061.db2.gz	CBTZNELGYOENJX-LBPRGKRZSA-N	0	1	386.246	2.116	20	5		GEBDMN
C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)N1CCCC1	ZINC000548697507	532793452	/nfs/dbraw/zinc/79/34/52/532793452.db2.gz	GKHOIICYBPUYHX-SNVBAGLBSA-N	0	1	392.275	2.120	20	5		GEBDMN
CC(C)(C)C(=O)NCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000462259058	532801432	/nfs/dbraw/zinc/80/14/32/532801432.db2.gz	PYOVQSFLAWMCEZ-UHFFFAOYSA-N	0	1	398.268	2.342	20	5		GEBDMN
O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@H](c2nc[nH]n2)C1	ZINC000332341344	532852145	/nfs/dbraw/zinc/85/21/45/532852145.db2.gz	QYBUHHBRHRPRDE-VIFPVBQESA-N	0	1	380.202	2.495	20	5		GEBDMN
CCN(C)C(=O)[C@H](C)NCc1cc(I)cc([N+](=O)[O-])c1	ZINC000289487834	532856591	/nfs/dbraw/zinc/85/65/91/532856591.db2.gz	KPLZBGFQAIAWKQ-VIFPVBQESA-N	0	1	391.209	2.156	20	5		GEBDMN
CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000416358613	532871410	/nfs/dbraw/zinc/87/14/10/532871410.db2.gz	HAYFXWYJGSXJGG-UHFFFAOYSA-N	0	1	381.376	2.328	20	5		GEBDMN
O=C(CN1CCN([C@H]2CCSC2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000361946032	532894024	/nfs/dbraw/zinc/89/40/24/532894024.db2.gz	VSJQCSSMDNTZKV-ZDUSSCGKSA-N	0	1	384.889	2.310	20	5		GEBDMN
C[C@H](NC(=O)c1ccc(N2CCC[N@H+](C(C)(C)C)CC2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000736656806	600432922	/nfs/dbraw/zinc/43/29/22/600432922.db2.gz	MDMKKQKYOOYBNZ-ZDUSSCGKSA-N	0	1	392.456	2.108	20	5		GEBDMN
O=C([O-])CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H]1CCCO1	ZINC000570575625	600508970	/nfs/dbraw/zinc/50/89/70/600508970.db2.gz	XCRBKVXWDCLKQG-AWEZNQCLSA-N	0	1	376.369	2.101	20	5		GEBDMN
O=C([O-])CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H]1CCCO1	ZINC000570575625	600508973	/nfs/dbraw/zinc/50/89/73/600508973.db2.gz	XCRBKVXWDCLKQG-AWEZNQCLSA-N	0	1	376.369	2.101	20	5		GEBDMN
O=C([O-])CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCOCC1	ZINC000833235726	600860651	/nfs/dbraw/zinc/86/06/51/600860651.db2.gz	AKBJTCXTGRTDJS-UHFFFAOYSA-N	0	1	376.369	2.101	20	5		GEBDMN
C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CC[C@@H](C(=O)[O-])C1	ZINC000817743814	601378933	/nfs/dbraw/zinc/37/89/33/601378933.db2.gz	IHOZJCOLHFCCIC-ZYHUDNBSSA-N	0	1	390.421	2.452	20	5		GEBDMN
C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CC[C@@H](C(=O)[O-])C1	ZINC000817743814	601378935	/nfs/dbraw/zinc/37/89/35/601378935.db2.gz	IHOZJCOLHFCCIC-ZYHUDNBSSA-N	0	1	390.421	2.452	20	5		GEBDMN
C[C@H]1C[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C[C@H]1C(=O)[O-]	ZINC000828441332	601502901	/nfs/dbraw/zinc/50/29/01/601502901.db2.gz	PJZUMVSWTKXHOW-GXFFZTMASA-N	0	1	390.421	2.309	20	5		GEBDMN
C[C@H]1C[N@@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C[C@H]1C(=O)[O-]	ZINC000828441332	601502904	/nfs/dbraw/zinc/50/29/04/601502904.db2.gz	PJZUMVSWTKXHOW-GXFFZTMASA-N	0	1	390.421	2.309	20	5		GEBDMN
O=[N+]([O-])c1ccccc1CN(C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)C1CC1	ZINC000826500233	607524805	/nfs/dbraw/zinc/52/48/05/607524805.db2.gz	PKICYYFLKZIFJO-GOSISDBHSA-N	0	1	380.408	2.473	20	5		GEBDMN
COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C1CC1)C1CCN(C(=O)[O-])CC1	ZINC000739871699	601934643	/nfs/dbraw/zinc/93/46/43/601934643.db2.gz	KIKHEPOXUSXYHU-UHFFFAOYSA-N	0	1	392.412	2.149	20	5		GEBDMN
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](N(C)C(=O)[O-])C1	ZINC000739931867	601971653	/nfs/dbraw/zinc/97/16/53/601971653.db2.gz	FLNNPPMEQKGURF-ZDUSSCGKSA-N	0	1	380.401	2.006	20	5		GEBDMN
CCC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCN(C(=O)[O-])C1	ZINC000739355309	602545882	/nfs/dbraw/zinc/54/58/82/602545882.db2.gz	YCBBFWRAKDLIKT-GFCCVEGCSA-N	0	1	380.401	2.006	20	5		GEBDMN
CCC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCN(C(=O)[O-])C1	ZINC000739355309	602545884	/nfs/dbraw/zinc/54/58/84/602545884.db2.gz	YCBBFWRAKDLIKT-GFCCVEGCSA-N	0	1	380.401	2.006	20	5		GEBDMN
CCCCCC[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000825272139	607581759	/nfs/dbraw/zinc/58/17/59/607581759.db2.gz	WJGRSMOJWDTNBT-LLVKDONJSA-N	0	1	382.446	2.412	20	5		GEBDMN
C[C@H](NC(=O)[O-])[C@H]1CCCC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21	ZINC000739010540	602991416	/nfs/dbraw/zinc/99/14/16/602991416.db2.gz	OHKRRNMCWYGXHZ-GXTWGEPZSA-N	0	1	392.412	2.403	20	5		GEBDMN
CC1CCC(C)(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1	ZINC000824907540	607602855	/nfs/dbraw/zinc/60/28/55/607602855.db2.gz	IQHTVIMHOBTAQG-UHFFFAOYSA-N	0	1	380.430	2.022	20	5		GEBDMN
C[C@@H]1CCCC[C@@H]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000824936174	607616870	/nfs/dbraw/zinc/61/68/70/607616870.db2.gz	FGHLYJOGHKRXMN-VXGBXAGGSA-N	0	1	394.457	2.270	20	5		GEBDMN
CC(C)CC1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCC1	ZINC000824238066	607668761	/nfs/dbraw/zinc/66/87/61/607668761.db2.gz	ZJBKKJFOXRFORR-UHFFFAOYSA-N	0	1	394.457	2.270	20	5		GEBDMN
C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1	ZINC000825256675	604228229	/nfs/dbraw/zinc/22/82/29/604228229.db2.gz	ZHEXNWBGEJUSCJ-HEHGZKQESA-N	0	1	376.413	2.068	20	5		GEBDMN
C[C@H](NC(=O)[O-])[C@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1	ZINC000825256675	604228232	/nfs/dbraw/zinc/22/82/32/604228232.db2.gz	ZHEXNWBGEJUSCJ-HEHGZKQESA-N	0	1	376.413	2.068	20	5		GEBDMN
CC[N@@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])[C@@H](C)C1	ZINC000833657681	605007178	/nfs/dbraw/zinc/00/71/78/605007178.db2.gz	NULOUXJSKMRPQK-FZMZJTMJSA-N	0	1	381.454	2.232	20	5		GEBDMN
O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000834024584	605515283	/nfs/dbraw/zinc/51/52/83/605515283.db2.gz	FCJLDABXQLQTOG-DOTOQJQBSA-N	0	1	390.440	2.065	20	5		GEBDMN
O=C([O-])N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1	ZINC000834031426	605520457	/nfs/dbraw/zinc/52/04/57/605520457.db2.gz	ZDSJRIOXELCLJR-WBVHZDCISA-N	0	1	390.440	2.065	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1	ZINC000833907166	605547886	/nfs/dbraw/zinc/54/78/86/605547886.db2.gz	CEHLPJGWOOJROQ-ZIAGYGMSSA-N	0	1	378.429	2.060	20	5		GEBDMN
O=C([O-])N1CCC2(CC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)CC1	ZINC000834092018	605894409	/nfs/dbraw/zinc/89/44/09/605894409.db2.gz	NRDRGCBDHAILJT-UHFFFAOYSA-N	0	1	377.397	2.427	20	5		GEBDMN
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC2(C1)CCN(C(=O)[O-])CC2	ZINC000833789337	605898743	/nfs/dbraw/zinc/89/87/43/605898743.db2.gz	IOFNVESBAQUHOQ-CYBMUJFWSA-N	0	1	376.413	2.388	20	5		GEBDMN
C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1	ZINC000820571102	606700784	/nfs/dbraw/zinc/70/07/84/606700784.db2.gz	VWPYRKLWPUEQCG-JSGCOSHPSA-N	0	1	380.412	2.417	20	5		GEBDMN
C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1	ZINC000820571102	606700785	/nfs/dbraw/zinc/70/07/85/606700785.db2.gz	VWPYRKLWPUEQCG-JSGCOSHPSA-N	0	1	380.412	2.417	20	5		GEBDMN
C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1	ZINC000820571102	606700787	/nfs/dbraw/zinc/70/07/87/606700787.db2.gz	VWPYRKLWPUEQCG-JSGCOSHPSA-N	0	1	380.412	2.417	20	5		GEBDMN
C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1	ZINC000820571102	606700788	/nfs/dbraw/zinc/70/07/88/606700788.db2.gz	VWPYRKLWPUEQCG-JSGCOSHPSA-N	0	1	380.412	2.417	20	5		GEBDMN
C[C@@H]1C[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1	ZINC000820667431	606719042	/nfs/dbraw/zinc/71/90/42/606719042.db2.gz	MFQXYXWCUXYODM-OCCSQVGLSA-N	0	1	380.412	2.245	20	5		GEBDMN
C[C@@H]1C[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[N@H+]1Cc1ccccc1	ZINC000820667431	606719043	/nfs/dbraw/zinc/71/90/43/606719043.db2.gz	MFQXYXWCUXYODM-OCCSQVGLSA-N	0	1	380.412	2.245	20	5		GEBDMN
C[C@@H]1C[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1	ZINC000820667431	606719044	/nfs/dbraw/zinc/71/90/44/606719044.db2.gz	MFQXYXWCUXYODM-OCCSQVGLSA-N	0	1	380.412	2.245	20	5		GEBDMN
C[C@@H]1C[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[N@H+]1Cc1ccccc1	ZINC000820667431	606719045	/nfs/dbraw/zinc/71/90/45/606719045.db2.gz	MFQXYXWCUXYODM-OCCSQVGLSA-N	0	1	380.412	2.245	20	5		GEBDMN
Cc1ccc(F)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)c1	ZINC000822240254	607154450	/nfs/dbraw/zinc/15/44/50/607154450.db2.gz	ZKOPESRJSWYFKN-UHFFFAOYSA-N	0	1	378.345	2.023	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H](c1cccs1)[NH+]1CCCC1	ZINC000823620777	607163372	/nfs/dbraw/zinc/16/33/72/607163372.db2.gz	QATAZOYAUZKVAR-GFCCVEGCSA-N	0	1	386.441	2.480	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H](c1cccs1)[NH+]1CCCC1	ZINC000823620777	607163373	/nfs/dbraw/zinc/16/33/73/607163373.db2.gz	QATAZOYAUZKVAR-GFCCVEGCSA-N	0	1	386.441	2.480	20	5		GEBDMN
C[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(-c2nn[nH]n2)cc1	ZINC000824554057	608463816	/nfs/dbraw/zinc/46/38/16/608463816.db2.gz	MCRPHWWPJACICD-LBPRGKRZSA-N	0	1	393.407	2.015	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1	ZINC000826293089	608530903	/nfs/dbraw/zinc/53/09/03/608530903.db2.gz	AFWCXTYPYOCDHA-UHFFFAOYSA-N	0	1	393.407	2.301	20	5		GEBDMN
Cc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)c1F	ZINC000826299776	608583144	/nfs/dbraw/zinc/58/31/44/608583144.db2.gz	UUCVSFZNPRXYMN-UHFFFAOYSA-N	0	1	378.345	2.023	20	5		GEBDMN
O=[N+]([O-])c1ccsc1N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1	ZINC000826500643	608583446	/nfs/dbraw/zinc/58/34/46/608583446.db2.gz	GJQCWZHUFKHWKK-UHFFFAOYSA-N	0	1	388.413	2.028	20	5		GEBDMN
COC(=O)C1(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCC1	ZINC000446921280	649990501	/nfs/dbraw/zinc/99/05/01/649990501.db2.gz	FTSRCYJJSZLHAP-UHFFFAOYSA-N	0	1	383.209	2.276	20	5		GEBDMN
O=C(NCc1cnn(-c2ccc(Br)cc2)c1)c1n[nH]cc1[N+](=O)[O-]	ZINC000447079317	649996869	/nfs/dbraw/zinc/99/68/69/649996869.db2.gz	UTPNZSNLDXTMIH-UHFFFAOYSA-N	0	1	391.185	2.196	20	5		GEBDMN
O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](c3cccc(Br)c3)C2)c1	ZINC000451576100	650127035	/nfs/dbraw/zinc/12/70/35/650127035.db2.gz	ZKPIOSMFKRMMGP-XJKSGUPXSA-N	0	1	395.257	2.404	20	5		GEBDMN
CC(C)[C@](C)(NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(N)=O	ZINC000511257003	650530994	/nfs/dbraw/zinc/53/09/94/650530994.db2.gz	IJKGXDMHPIRDGT-LBPRGKRZSA-N	0	1	384.241	2.080	20	5		GEBDMN
Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1	ZINC000475837172	650541133	/nfs/dbraw/zinc/54/11/33/650541133.db2.gz	VOLZPCYMXUEQFZ-UHFFFAOYSA-N	0	1	388.398	2.247	20	5		GEBDMN
O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNCc1cc(F)cc(Cl)c1	ZINC000485711622	650699286	/nfs/dbraw/zinc/69/92/86/650699286.db2.gz	RVJYDZKFWKYAEI-UHFFFAOYSA-N	0	1	387.820	2.455	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)NCCNCc2cc(F)cc(Cl)c2)cc1	ZINC000485721348	650699495	/nfs/dbraw/zinc/69/94/95/650699495.db2.gz	UNNDSHMYPVWPSD-UHFFFAOYSA-N	0	1	387.820	2.455	20	5		GEBDMN
COc1ccccc1[C@H](CO)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000533553381	650762279	/nfs/dbraw/zinc/76/22/79/650762279.db2.gz	DPYODFSSXQVOSQ-LBPRGKRZSA-N	0	1	386.813	2.269	20	5		GEBDMN
CN(C(=O)c1cc(C2CC2)n[nH]1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000051281999	642693263	/nfs/dbraw/zinc/69/32/63/642693263.db2.gz	SANNMOFQNZAOTH-UHFFFAOYSA-N	0	1	384.801	2.310	20	5		GEBDMN
COC(=O)[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C)c1cccs1	ZINC000493952061	650799426	/nfs/dbraw/zinc/79/94/26/650799426.db2.gz	HDIXGGZRXAZWKJ-AWEZNQCLSA-N	0	1	384.435	2.466	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1	ZINC000539106469	650842671	/nfs/dbraw/zinc/84/26/71/650842671.db2.gz	XAYAFTHABQZLSA-UHFFFAOYSA-N	0	1	384.435	2.416	20	5		GEBDMN
O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(-n3cnnn3)c2)ccc1Cl	ZINC000119823064	643572938	/nfs/dbraw/zinc/57/29/38/643572938.db2.gz	TVOJEHLWBOAMJN-UHFFFAOYSA-N	0	1	380.773	2.025	20	5		GEBDMN
C[C@H](CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)N(C)C1CC1	ZINC000120288115	643598364	/nfs/dbraw/zinc/59/83/64/643598364.db2.gz	QDXFRQRRRFPNJU-SECBINFHSA-N	0	1	392.275	2.118	20	5		GEBDMN
C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)C[C@H](C)N1	ZINC000153197027	643979423	/nfs/dbraw/zinc/97/94/23/643979423.db2.gz	MOPFWIJFEUMBKM-DTORHVGOSA-N	0	1	389.193	2.022	20	5		GEBDMN
CC[C@@](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])(C(N)=O)C(C)C	ZINC000543776985	650923915	/nfs/dbraw/zinc/92/39/15/650923915.db2.gz	PRHYYBGFEFOEKW-ZDUSSCGKSA-N	0	1	398.268	2.470	20	5		GEBDMN
[NH3+]C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C1CCCC1	ZINC000194776434	645348364	/nfs/dbraw/zinc/34/83/64/645348364.db2.gz	NFRVEWHUCYXOKY-LLVKDONJSA-N	0	1	392.275	2.153	20	5		GEBDMN
[NH3+]C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000237996521	645448593	/nfs/dbraw/zinc/44/85/93/645448593.db2.gz	UMOHKVVQYXFEJD-KOLCDFICSA-N	0	1	392.275	2.153	20	5		GEBDMN
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC[C@H]1NCCc2ccccc21	ZINC000262277670	645623661	/nfs/dbraw/zinc/62/36/61/645623661.db2.gz	LGXUVHNTBCOWOW-CQSZACIVSA-N	0	1	381.841	2.414	20	5		GEBDMN
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1NCCc2ccccc21	ZINC000262277659	645623932	/nfs/dbraw/zinc/62/39/32/645623932.db2.gz	LGXUVHNTBCOWOW-AWEZNQCLSA-N	0	1	381.841	2.414	20	5		GEBDMN
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CCOC2(CCSCC2)C1	ZINC000269338111	646027768	/nfs/dbraw/zinc/02/77/68/646027768.db2.gz	OIRCSTFMMVHWSM-NSHDSACASA-N	0	1	390.458	2.457	20	5		GEBDMN
CN(C)C[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000269353860	646029456	/nfs/dbraw/zinc/02/94/56/646029456.db2.gz	LPBPXGZMKYKLBP-JTQLQIEISA-N	0	1	392.275	2.072	20	5		GEBDMN
COc1ccnc(N2CCN(c3c(Br)cncc3[N+](=O)[O-])CC2)c1	ZINC000270998453	646163586	/nfs/dbraw/zinc/16/35/86/646163586.db2.gz	VNQWLGFWMQRYLR-UHFFFAOYSA-N	0	1	394.229	2.483	20	5		GEBDMN
O=C(CSc1n[nH]c(=S)s1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1	ZINC000276146376	646368037	/nfs/dbraw/zinc/36/80/37/646368037.db2.gz	CITGGUINVPTKOU-UHFFFAOYSA-N	0	1	384.464	2.117	20	5		GEBDMN
CCn1cc(S(=O)(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)c([N+](=O)[O-])n1	ZINC000330457489	647338011	/nfs/dbraw/zinc/33/80/11/647338011.db2.gz	QKVFPZUHGXNPAV-NXEZZACHSA-N	0	1	384.380	2.458	20	5		GEBDMN
CON1CCC(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1	ZINC000420747211	648449321	/nfs/dbraw/zinc/44/93/21/648449321.db2.gz	GYWZWBBODJGAFN-UHFFFAOYSA-N	0	1	384.241	2.206	20	5		GEBDMN
CN(C[C@@H]1CCCN1C)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000420772739	648455454	/nfs/dbraw/zinc/45/54/54/648455454.db2.gz	VANIGGWYWKFJIF-NSHDSACASA-N	0	1	392.275	2.072	20	5		GEBDMN
Cc1nnc([C@H](C)NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])o1	ZINC000610732837	651680206	/nfs/dbraw/zinc/68/02/06/651680206.db2.gz	DGKYGZHERABJHY-LURJTMIESA-N	0	1	391.203	2.088	20	5		GEBDMN
CNC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)cn1C	ZINC000736421493	651821580	/nfs/dbraw/zinc/82/15/80/651821580.db2.gz	UYVFJISOODURSO-UHFFFAOYSA-N	0	1	386.817	2.056	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCNc1ncccn1	ZINC000742281871	651972758	/nfs/dbraw/zinc/97/27/58/651972758.db2.gz	GXISCWXKQSBTDL-UHFFFAOYSA-N	0	1	392.224	2.082	20	5		GEBDMN
O=[N+]([O-])c1cc(I)cc(CN[C@H](CO)CC(F)F)c1	ZINC000583841879	652499023	/nfs/dbraw/zinc/49/90/23/652499023.db2.gz	PYBWGZGDZUVDPN-VIFPVBQESA-N	0	1	386.136	2.305	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1C[C@H](O)C12CCC2	ZINC000594866904	652694548	/nfs/dbraw/zinc/69/45/48/652694548.db2.gz	YXVJGGFAFBSZJI-QWRGUYRKSA-N	0	1	381.237	2.483	20	5		GEBDMN
CCc1nc([C@H](C)Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])n[nH]1	ZINC000762571400	652704214	/nfs/dbraw/zinc/70/42/14/652704214.db2.gz	QFMMJGNHPYDZKV-ZETCQYMHSA-N	0	1	375.357	2.445	20	5		GEBDMN
CS[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C[C@@H]1N(C)C	ZINC000767315376	652919650	/nfs/dbraw/zinc/91/96/50/652919650.db2.gz	NSPHJUSIXNVJER-QWHCGFSZSA-N	0	1	393.918	2.223	20	5		GEBDMN
COC(=O)c1n[nH]c2ccc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)cc21	ZINC000768867716	653133651	/nfs/dbraw/zinc/13/36/51/653133651.db2.gz	XSFLXABDBDJRQP-UHFFFAOYSA-N	0	1	382.379	2.120	20	5		GEBDMN
O=C1OCCN1Cc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1	ZINC000768880886	653135088	/nfs/dbraw/zinc/13/50/88/653135088.db2.gz	FFWGLMCGGBFXSI-UHFFFAOYSA-N	0	1	383.407	2.409	20	5		GEBDMN
NC(=O)C1(NCc2cc(I)cc([N+](=O)[O-])c2)CCCC1	ZINC000809963231	653315368	/nfs/dbraw/zinc/31/53/68/653315368.db2.gz	LFPRKSOMSFVTDV-UHFFFAOYSA-N	0	1	389.193	2.087	20	5		GEBDMN
Cc1ccc(NCCCN2CCC[C@H]2C(N)=O)c([N+](=O)[O-])c1Br	ZINC000858687217	653374846	/nfs/dbraw/zinc/37/48/46/653374846.db2.gz	AJIODMNUNKFDDL-LBPRGKRZSA-N	0	1	385.262	2.417	20	5		GEBDMN
C[N@@H+]1CCCC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1	ZINC000859303674	653437868	/nfs/dbraw/zinc/43/78/68/653437868.db2.gz	XQDXMKPWXHQHLX-JTQLQIEISA-N	0	1	379.841	2.398	20	5		GEBDMN
C[N@H+]1CCCC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1	ZINC000859303674	653437875	/nfs/dbraw/zinc/43/78/75/653437875.db2.gz	XQDXMKPWXHQHLX-JTQLQIEISA-N	0	1	379.841	2.398	20	5		GEBDMN
CCCCCC[N@@H+](C)CC(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1	ZINC000778610232	653450071	/nfs/dbraw/zinc/45/00/71/653450071.db2.gz	MZGAHSJHXQPFJJ-UHFFFAOYSA-N	0	1	375.422	2.051	20	5		GEBDMN
C[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)N1CCCC1	ZINC000780703701	653631148	/nfs/dbraw/zinc/63/11/48/653631148.db2.gz	GRAIVQGDHXZHMT-SNVBAGLBSA-N	0	1	392.275	2.120	20	5		GEBDMN
C[C@H]1CCCN1CCNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000780869017	653634577	/nfs/dbraw/zinc/63/45/77/653634577.db2.gz	ZZSYJRXXAHZITQ-JTQLQIEISA-N	0	1	392.275	2.120	20	5		GEBDMN
CC[N@@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1	ZINC000815009086	653643012	/nfs/dbraw/zinc/64/30/12/653643012.db2.gz	ZHEQRHDACCJWMI-JTQLQIEISA-N	0	1	379.841	2.398	20	5		GEBDMN
CC[N@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1	ZINC000815009086	653643013	/nfs/dbraw/zinc/64/30/13/653643013.db2.gz	ZHEQRHDACCJWMI-JTQLQIEISA-N	0	1	379.841	2.398	20	5		GEBDMN
C[NH+](C)[C@]1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCSC1	ZINC000815020697	653644339	/nfs/dbraw/zinc/64/43/39/653644339.db2.gz	CMHMFTIMBLMROO-ZDUSSCGKSA-N	0	1	397.881	2.103	20	5		GEBDMN
C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)no1	ZINC000839704531	653660879	/nfs/dbraw/zinc/66/08/79/653660879.db2.gz	UCJQHVOENJTQFP-AVPPRXQKSA-N	0	1	381.186	2.342	20	5		GEBDMN
COC(=O)C[C@](C)(NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Br)cc1	ZINC000840431505	653685490	/nfs/dbraw/zinc/68/54/90/653685490.db2.gz	FPVVKZHYWOCJIQ-JMSVASOKSA-N	0	1	385.214	2.009	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H](O)c2ccc(Cl)cc2)cc1	ZINC000783908991	653686465	/nfs/dbraw/zinc/68/64/65/653686465.db2.gz	DZALRSDQXIPKKL-MRXNPFEDSA-N	0	1	384.841	2.345	20	5		GEBDMN
O=C(OCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C1CC1	ZINC000841536818	653729628	/nfs/dbraw/zinc/72/96/28/653729628.db2.gz	OMYZRPXSCSXKEE-UHFFFAOYSA-N	0	1	383.209	2.133	20	5		GEBDMN
C[N@@H+]1CCC[C@H](CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1	ZINC000841546308	653731068	/nfs/dbraw/zinc/73/10/68/653731068.db2.gz	LPCGBEKXOXJWKV-SNVBAGLBSA-N	0	1	379.841	2.398	20	5		GEBDMN
C[N@H+]1CCC[C@H](CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1	ZINC000841546308	653731069	/nfs/dbraw/zinc/73/10/69/653731069.db2.gz	LPCGBEKXOXJWKV-SNVBAGLBSA-N	0	1	379.841	2.398	20	5		GEBDMN
O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[C@@H](c2nc[nH]n2)C1	ZINC000819723961	653756582	/nfs/dbraw/zinc/75/65/82/653756582.db2.gz	HSSHFVOAEIPJPE-SSDOTTSWSA-N	0	1	384.165	2.244	20	5		GEBDMN
CN1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)[C@H](Cc2ccccc2)C1	ZINC000844743434	653816117	/nfs/dbraw/zinc/81/61/17/653816117.db2.gz	XNJZWRQUAACGGF-CQSZACIVSA-N	0	1	394.273	2.370	20	5		GEBDMN
O=C1CCCCN1CCCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000795825464	653968645	/nfs/dbraw/zinc/96/86/45/653968645.db2.gz	SFYTWDIBKAYIJH-UHFFFAOYSA-N	0	1	393.824	2.068	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-][C@@H]2CC[N@@H+](CC3CC3)C2)c1	ZINC000795829942	653969269	/nfs/dbraw/zinc/96/92/69/653969269.db2.gz	TZVRLCOCUSNAPY-SNVBAGLBSA-N	0	1	377.825	2.150	20	5		GEBDMN
CC1(C)[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)[C@H]2CCO[C@@H]21	ZINC000795853947	653971327	/nfs/dbraw/zinc/97/13/27/653971327.db2.gz	DFWUTJHKFDPHOF-WQHBLYJGSA-N	0	1	378.809	2.479	20	5		GEBDMN
C[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)CC1(C)OCCO1	ZINC000795857414	653971841	/nfs/dbraw/zinc/97/18/41/653971841.db2.gz	RNVMFMGIWQDCDC-VIFPVBQESA-N	0	1	396.824	2.455	20	5		GEBDMN
Cc1ccc([C@H](O)CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)o1	ZINC000795857315	653971862	/nfs/dbraw/zinc/97/18/62/653971862.db2.gz	RAYHLXDYAADCCY-SNVBAGLBSA-N	0	1	378.765	2.301	20	5		GEBDMN
Cc1ocnc1CNS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000795900815	653976128	/nfs/dbraw/zinc/97/61/28/653976128.db2.gz	FTYLEXKFXZQZNV-UHFFFAOYSA-N	0	1	394.178	2.271	20	5		GEBDMN
CCOC(=O)[C@@H](C)[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000795925135	653977332	/nfs/dbraw/zinc/97/73/32/653977332.db2.gz	CLIPCGDHUPZIOY-YUMQZZPRSA-N	0	1	382.797	2.253	20	5		GEBDMN
C[C@@H]1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CN1C1CC1	ZINC000798226770	654055292	/nfs/dbraw/zinc/05/52/92/654055292.db2.gz	FISTXAIMMOPHJK-RKDXNWHRSA-N	0	1	377.825	2.291	20	5		GEBDMN
C[C@H]1[C@H](C)N(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])CCN1C	ZINC000802994279	654254833	/nfs/dbraw/zinc/25/48/33/654254833.db2.gz	UHXQSZQALCIVNI-RYUDHWBXSA-N	0	1	399.289	2.345	20	5		GEBDMN
Cc1n[nH]cc1CNS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000804968650	654329263	/nfs/dbraw/zinc/32/92/63/654329263.db2.gz	HSHUQGVJXZYORE-UHFFFAOYSA-N	0	1	393.194	2.006	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]([C@@H]2CCOC2)C(F)(F)F)c(Cl)c1	ZINC000921860236	654334050	/nfs/dbraw/zinc/33/40/50/654334050.db2.gz	LCINSGUKMZJACW-RDDDGLTNSA-N	0	1	388.751	2.494	20	5		GEBDMN
Cn1cc(CNCCc2ccc([N+](=O)[O-])cc2)c(I)n1	ZINC000894242184	654458819	/nfs/dbraw/zinc/45/88/19/654458819.db2.gz	UYHCHOUXNZSEEY-UHFFFAOYSA-N	0	1	386.193	2.265	20	5		GEBDMN
Cc1nc(CN2CCN(Cc3cc([N+](=O)[O-])ccc3Br)CC2)n[nH]1	ZINC000930073096	654698652	/nfs/dbraw/zinc/69/86/52/654698652.db2.gz	JOAHGIOSRGUHFR-UHFFFAOYSA-N	0	1	395.261	2.102	20	5		GEBDMN
Cc1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c([N+](=O)[O-])c1	ZINC001164984097	722101490	/nfs/dbraw/zinc/10/14/90/722101490.db2.gz	RRQYNQMAVRZHJQ-IEBWSBKVSA-N	0	1	383.452	2.421	20	5		GEBDMN
Cc1ccnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164977265	722106245	/nfs/dbraw/zinc/10/62/45/722106245.db2.gz	FNFKRDVONFIISE-QZTJIDSGSA-N	0	1	383.452	2.421	20	5		GEBDMN
O=[N+]([O-])c1cc(F)cnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1	ZINC001164980669	722106275	/nfs/dbraw/zinc/10/62/75/722106275.db2.gz	JWGAQTAMWYHODY-YJBOKZPZSA-N	0	1	387.415	2.251	20	5		GEBDMN
CCN1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000162166773	531836689	/nfs/dbraw/zinc/83/66/89/531836689.db2.gz	YKXOXRWRDAWMRD-LLVKDONJSA-N	0	1	381.376	2.376	20	5		GEBDMN
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(S(C)(=O)=O)c1	ZINC000067116726	531875760	/nfs/dbraw/zinc/87/57/60/531875760.db2.gz	GLGJTCCOPHZSPJ-UHFFFAOYSA-N	0	1	384.435	2.362	20	5		GEBDMN
Cc1nc(C)c([C@H](C)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	ZINC000178000567	532189423	/nfs/dbraw/zinc/18/94/23/532189423.db2.gz	JGTJUJIRVDUWTF-JTQLQIEISA-N	0	1	384.483	2.297	20	5		GEBDMN
CN(C)C1CN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C1	ZINC000135047847	532265916	/nfs/dbraw/zinc/26/59/16/532265916.db2.gz	WLLWDRIYHALXHC-UHFFFAOYSA-N	0	1	384.223	2.473	20	5		GEBDMN
Cc1ccc([C@@H](C)NC[C@H](O)CS(=O)(=O)c2cccs2)cc1[N+](=O)[O-]	ZINC000181633641	532303968	/nfs/dbraw/zinc/30/39/68/532303968.db2.gz	NJEJRPXAKOYLJQ-OCCSQVGLSA-N	0	1	384.479	2.450	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)NCCNCc2ccc(Cl)cc2F)c1	ZINC000189290713	532351660	/nfs/dbraw/zinc/35/16/60/532351660.db2.gz	ADMKLYJLHOYWOQ-UHFFFAOYSA-N	0	1	387.820	2.455	20	5		GEBDMN
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CC[C@@](O)(C(F)(F)F)C1	ZINC000589922553	532363114	/nfs/dbraw/zinc/36/31/14/532363114.db2.gz	JBGRBZVIYDMPMP-CPCISQLKSA-N	0	1	388.751	2.372	20	5		GEBDMN
O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H](c2n[nH]c(=O)o2)C1	ZINC000425304699	532383373	/nfs/dbraw/zinc/38/33/73/532383373.db2.gz	QKNFSKZCTRGBBO-MRVPVSSYSA-N	0	1	397.185	2.466	20	5		GEBDMN
O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCCC[C@H]1c1nnc[nH]1	ZINC000373930751	532478145	/nfs/dbraw/zinc/47/81/45/532478145.db2.gz	BBZPXJJPBIUVMW-JTQLQIEISA-N	0	1	381.190	2.238	20	5		GEBDMN
O=C(N[C@@H]1CCCN(CCCO)C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-]	ZINC000296497084	532524377	/nfs/dbraw/zinc/52/43/77/532524377.db2.gz	SUDXDPBMLJFXTF-LLVKDONJSA-N	0	1	376.240	2.478	20	5		GEBDMN
CC(C)(NS(=O)(=O)c1ncccc1[N+](=O)[O-])c1cc(C(F)(F)F)on1	ZINC000594776201	532526177	/nfs/dbraw/zinc/52/61/77/532526177.db2.gz	VMRXBPLCZLLWQY-UHFFFAOYSA-N	0	1	380.304	2.210	20	5		GEBDMN
C[C@@H]1CN(CCCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCO1	ZINC000432337330	532534890	/nfs/dbraw/zinc/53/48/90/532534890.db2.gz	BAUSFPADUFRDOG-GFCCVEGCSA-N	0	1	391.877	2.027	20	5		GEBDMN
COC[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@H]1CCCO1	ZINC000433477825	532570969	/nfs/dbraw/zinc/57/09/69/532570969.db2.gz	OHFHUCKXEGTQRI-ZYHUDNBSSA-N	0	1	399.252	2.374	20	5		GEBDMN
COCc1nc(CNc2ccc(I)cc2[N+](=O)[O-])n[nH]1	ZINC000596435932	532595142	/nfs/dbraw/zinc/59/51/42/532595142.db2.gz	JZNPRDCHPJYUEK-UHFFFAOYSA-N	0	1	389.153	2.076	20	5		GEBDMN
COCc1nnc(CNc2ccc(I)cc2[N+](=O)[O-])[nH]1	ZINC000596435932	532595145	/nfs/dbraw/zinc/59/51/45/532595145.db2.gz	JZNPRDCHPJYUEK-UHFFFAOYSA-N	0	1	389.153	2.076	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)CC2	ZINC000477426895	532652410	/nfs/dbraw/zinc/65/24/10/532652410.db2.gz	IOXUQCSSDFJAFR-UHFFFAOYSA-N	0	1	382.419	2.034	20	5		GEBDMN
O=C(N[C@H](CO)CN1CCCCC1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-]	ZINC000298521177	532657039	/nfs/dbraw/zinc/65/70/39/532657039.db2.gz	IJUZOWRRWLNHLP-NSHDSACASA-N	0	1	376.240	2.478	20	5		GEBDMN
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2CCN(C)C[C@@H]21	ZINC000285685148	532698180	/nfs/dbraw/zinc/69/81/80/532698180.db2.gz	HWKVLIYMNFJJLD-LSDHHAIUSA-N	0	1	398.257	2.211	20	5		GEBDMN
CS[C@@H](CO)[C@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000537042528	532702042	/nfs/dbraw/zinc/70/20/42/532702042.db2.gz	SVAMKYBMVQHSFO-WKEGUHRASA-N	0	1	389.282	2.292	20	5		GEBDMN
Cc1[nH]nc(C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)c1[N+](=O)[O-]	ZINC000299581170	532728513	/nfs/dbraw/zinc/72/85/13/532728513.db2.gz	XQWFSTRSIYFRFG-UHFFFAOYSA-N	0	1	385.211	2.291	20	5		GEBDMN
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CCO[C@]2(CCSC2)C1	ZINC000269151587	532776064	/nfs/dbraw/zinc/77/60/64/532776064.db2.gz	SGEPXHQHYHEASU-QMTHXVAHSA-N	0	1	376.431	2.067	20	5		GEBDMN
O=[N+]([O-])c1cccc(CNCCNS(=O)(=O)c2ccc(F)cc2Cl)c1	ZINC000509410556	532768639	/nfs/dbraw/zinc/76/86/39/532768639.db2.gz	MYQXFTQTRARKLH-UHFFFAOYSA-N	0	1	387.820	2.455	20	5		GEBDMN
O=[N+]([O-])c1cc(S(=O)(=O)NC2(c3nnc[nH]3)CCC2)c(Cl)cc1Cl	ZINC000289686906	532863545	/nfs/dbraw/zinc/86/35/45/532863545.db2.gz	CUOCHAKRNFFPOG-UHFFFAOYSA-N	0	1	392.224	2.377	20	5		GEBDMN
C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1C	ZINC000416408198	532876499	/nfs/dbraw/zinc/87/64/99/532876499.db2.gz	OOSBHBWKQZCIAH-ONGXEEELSA-N	0	1	381.376	2.375	20	5		GEBDMN
O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H](O)C(F)(F)F)c(Cl)cc1Cl	ZINC000290717423	532887691	/nfs/dbraw/zinc/88/76/91/532887691.db2.gz	JZBJXAJIDTVLRQ-MRVPVSSYSA-N	0	1	383.131	2.103	20	5		GEBDMN
C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCN1C	ZINC000290759396	532888504	/nfs/dbraw/zinc/88/85/04/532888504.db2.gz	NJKBXFZCCOUAEK-ZJUUUORDSA-N	0	1	379.841	2.491	20	5		GEBDMN
C[C@H](CN1CCN(C)CC1)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-]	ZINC000291500401	532903284	/nfs/dbraw/zinc/90/32/84/532903284.db2.gz	MPSUJMXLCYFTSM-SNVBAGLBSA-N	0	1	375.256	2.267	20	5		GEBDMN
COC(=O)c1ncsc1S(=O)(=O)NC(C)(C)c1ccccc1[N+](=O)[O-]	ZINC000292132602	532913474	/nfs/dbraw/zinc/91/34/74/532913474.db2.gz	XYFDVIVQPZBHDO-UHFFFAOYSA-N	0	1	385.423	2.052	20	5		GEBDMN
Cc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)[NH+]2CCCC2)o1	ZINC000737320575	598247130	/nfs/dbraw/zinc/24/71/30/598247130.db2.gz	RHQZXRQMSVGYOW-AWEZNQCLSA-N	0	1	384.400	2.320	20	5		GEBDMN
O=[N+]([O-])c1ccc(CCN2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1	ZINC000738360665	598251922	/nfs/dbraw/zinc/25/19/22/598251922.db2.gz	RUYMAOQZQDDKBS-UHFFFAOYSA-N	0	1	379.424	2.140	20	5		GEBDMN
C[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000736135481	598581380	/nfs/dbraw/zinc/58/13/80/598581380.db2.gz	YLWDSKFYRYAAHZ-SJKOYZFVSA-N	0	1	393.407	2.231	20	5		GEBDMN
O=C([O-])[C@@H]1CCC[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1	ZINC000739284957	600134061	/nfs/dbraw/zinc/13/40/61/600134061.db2.gz	ZTWMAFBOXXMSFB-GFCCVEGCSA-N	0	1	390.421	2.453	20	5		GEBDMN
O=C([O-])[C@@H]1CCC[N@@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1	ZINC000739284957	600134062	/nfs/dbraw/zinc/13/40/62/600134062.db2.gz	ZTWMAFBOXXMSFB-GFCCVEGCSA-N	0	1	390.421	2.453	20	5		GEBDMN
CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[C@H](C)C1	ZINC000737168687	600611198	/nfs/dbraw/zinc/61/11/98/600611198.db2.gz	VSOMFHMVLFHZSF-CXAGYDPISA-N	0	1	393.440	2.160	20	5		GEBDMN
CC[N@H+]1CCCC[C@@H]1CNc1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000829771401	601444531	/nfs/dbraw/zinc/44/45/31/601444531.db2.gz	VYMXEQJPVJJCST-TZMCWYRMSA-N	0	1	378.429	2.084	20	5		GEBDMN
Cc1cc(NC[C@H](O)C[N@H+]2CCc3ccccc3C2)cc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000592968873	601545058	/nfs/dbraw/zinc/54/50/58/601545058.db2.gz	ZCVSVECYTQSFSE-KRWDZBQOSA-N	0	1	385.420	2.433	20	5		GEBDMN
Cc1cccc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1-c1nn[nH]n1	ZINC000826303953	607532772	/nfs/dbraw/zinc/53/27/72/607532772.db2.gz	OBWFKHGEIASVDG-UHFFFAOYSA-N	0	1	378.345	2.023	20	5		GEBDMN
CC(C)(C)CC(C)(C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000824078440	607572760	/nfs/dbraw/zinc/57/27/60/607572760.db2.gz	IRHREZIQBBBHSN-UHFFFAOYSA-N	0	1	382.446	2.268	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccccc2Cl)c1-c1nn[nH]n1	ZINC000826500274	607572841	/nfs/dbraw/zinc/57/28/41/607572841.db2.gz	RGEFWOAKENOYAR-UHFFFAOYSA-N	0	1	381.757	2.196	20	5		GEBDMN
Cc1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)c(C)c1	ZINC000826292653	607577485	/nfs/dbraw/zinc/57/74/85/607577485.db2.gz	GAXSJRCSDDYOOO-UHFFFAOYSA-N	0	1	375.366	2.159	20	5		GEBDMN
CCN(c1ccc(F)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000825444254	607578651	/nfs/dbraw/zinc/57/86/51/607578651.db2.gz	KMOAXAAHIWFPIC-UHFFFAOYSA-N	0	1	392.372	2.129	20	5		GEBDMN
CC(C)[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1	ZINC000824216193	607607804	/nfs/dbraw/zinc/60/78/04/607607804.db2.gz	OVTLIQUYGUTWOH-NEPJUHHUSA-N	0	1	394.457	2.268	20	5		GEBDMN
CCN(CC1CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1)C(=O)[O-]	ZINC000827092648	603543574	/nfs/dbraw/zinc/54/35/74/603543574.db2.gz	GDWMZUXFINKHOA-UHFFFAOYSA-N	0	1	390.440	2.196	20	5		GEBDMN
CC[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1	ZINC000825192819	607642256	/nfs/dbraw/zinc/64/22/56/607642256.db2.gz	JDIQZAQFMWPYLA-GHMZBOCLSA-N	0	1	380.430	2.022	20	5		GEBDMN
CN(C(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-])[C@H]1CC[N@H+](C2CC2)C1	ZINC000833686399	605021271	/nfs/dbraw/zinc/02/12/71/605021271.db2.gz	UMKFBBPTCPCRGD-AWEZNQCLSA-N	0	1	393.465	2.470	20	5		GEBDMN
O=C([O-])N[C@@H]1CCC[C@H]2C[N@@H+](Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]21	ZINC000834183581	605328001	/nfs/dbraw/zinc/32/80/01/605328001.db2.gz	PNSFXVIVAILIRL-CWRNSKLLSA-N	0	1	386.412	2.179	20	5		GEBDMN
O=C([O-])N1CCC[C@@H]1[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000834104663	605357450	/nfs/dbraw/zinc/35/74/50/605357450.db2.gz	DUTBLLJJAFEWNP-ARFHVFGLSA-N	0	1	393.440	2.331	20	5		GEBDMN
O=C([O-])N1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000834104666	605357537	/nfs/dbraw/zinc/35/75/37/605357537.db2.gz	DUTBLLJJAFEWNP-OWCLPIDISA-N	0	1	393.440	2.331	20	5		GEBDMN
O=C([O-])N[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@H]21	ZINC000834183648	605439831	/nfs/dbraw/zinc/43/98/31/605439831.db2.gz	PRAVVBLVSWFSGZ-IUIKQTSFSA-N	0	1	377.397	2.329	20	5		GEBDMN
O=C([O-])N[C@@H]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]21	ZINC000834178251	605443326	/nfs/dbraw/zinc/44/33/26/605443326.db2.gz	DOBHYKXDJDADML-MGPQQGTHSA-N	0	1	376.413	2.292	20	5		GEBDMN
O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1	ZINC000834031434	605523064	/nfs/dbraw/zinc/52/30/64/605523064.db2.gz	ZGUSOMVITCCIEA-YOEHRIQHSA-N	0	1	390.440	2.065	20	5		GEBDMN
O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000832239703	605904357	/nfs/dbraw/zinc/90/43/57/605904357.db2.gz	OTFJQYFHHHINHG-VHRNVKJDSA-N	0	1	386.412	2.464	20	5		GEBDMN
O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000832239703	605904359	/nfs/dbraw/zinc/90/43/59/605904359.db2.gz	OTFJQYFHHHINHG-VHRNVKJDSA-N	0	1	386.412	2.464	20	5		GEBDMN
CN(c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000821619237	606715610	/nfs/dbraw/zinc/71/56/10/606715610.db2.gz	OUKPOACSSVCLFP-OAHLLOKOSA-N	0	1	394.439	2.271	20	5		GEBDMN
CN(c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000821619237	606715611	/nfs/dbraw/zinc/71/56/11/606715611.db2.gz	OUKPOACSSVCLFP-OAHLLOKOSA-N	0	1	394.439	2.271	20	5		GEBDMN
CN(c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000821619237	606715613	/nfs/dbraw/zinc/71/56/13/606715613.db2.gz	OUKPOACSSVCLFP-OAHLLOKOSA-N	0	1	394.439	2.271	20	5		GEBDMN
CN(c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000821619237	606715615	/nfs/dbraw/zinc/71/56/15/606715615.db2.gz	OUKPOACSSVCLFP-OAHLLOKOSA-N	0	1	394.439	2.271	20	5		GEBDMN
CC[C@H]1CCCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000820980678	606734000	/nfs/dbraw/zinc/73/40/00/606734000.db2.gz	MJVLDROLZCJBNG-NSHDSACASA-N	0	1	380.430	2.118	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC3(CCCC3)CC2)c1-c1nn[nH]n1	ZINC000823647104	606735641	/nfs/dbraw/zinc/73/56/41/606735641.db2.gz	FYYCAYVISIGHJX-UHFFFAOYSA-N	0	1	392.441	2.120	20	5		GEBDMN
CCCC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C1CCC1	ZINC000821043194	606736398	/nfs/dbraw/zinc/73/63/98/606736398.db2.gz	MQWCKIYJOUTHJG-GFCCVEGCSA-N	0	1	394.457	2.412	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccccc1C[NH+]1CCCC1	ZINC000823625604	607165376	/nfs/dbraw/zinc/16/53/76/607165376.db2.gz	ZJAPGOXVDGCYMV-UHFFFAOYSA-N	0	1	380.412	2.378	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccccc1C[NH+]1CCCC1	ZINC000823625604	607165377	/nfs/dbraw/zinc/16/53/77/607165377.db2.gz	ZJAPGOXVDGCYMV-UHFFFAOYSA-N	0	1	380.412	2.378	20	5		GEBDMN
C[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccc(-c2nn[nH]n2)c1	ZINC000824553986	608482887	/nfs/dbraw/zinc/48/28/87/608482887.db2.gz	LGZWFPKPVNTZEM-GFCCVEGCSA-N	0	1	393.407	2.015	20	5		GEBDMN
O=C1[C@H](NCc2cccc([N+](=O)[O-])c2)CCCN1c1ccc(-c2nn[nH]n2)cc1	ZINC000826476255	609415584	/nfs/dbraw/zinc/41/55/84/609415584.db2.gz	DICBMTBIKCQGNW-QGZVFWFLSA-N	0	1	393.407	2.060	20	5		GEBDMN
O=[N+]([O-])c1cnccc1NS(=O)(=O)CCc1ccccc1Br	ZINC000461113989	650449316	/nfs/dbraw/zinc/44/93/16/650449316.db2.gz	QSAJKHDOQBSRQQ-UHFFFAOYSA-N	0	1	386.227	2.159	20	5		GEBDMN
Cc1[nH]nc(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)c1[N+](=O)[O-]	ZINC000464327157	650495359	/nfs/dbraw/zinc/49/53/59/650495359.db2.gz	KZBQXTWZGVFNAN-UHFFFAOYSA-N	0	1	378.801	2.974	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCN1CC=CCC1	ZINC000480790655	650632455	/nfs/dbraw/zinc/63/24/55/650632455.db2.gz	ZLOGQQPVHDQALJ-UHFFFAOYSA-N	0	1	380.253	2.442	20	5		GEBDMN
Cc1[nH]nc(C(=O)N(CCO)Cc2ccc(Br)s2)c1[N+](=O)[O-]	ZINC000483015334	650673300	/nfs/dbraw/zinc/67/33/00/650673300.db2.gz	ANPHEAGHBSAUCU-UHFFFAOYSA-N	0	1	389.231	2.085	20	5		GEBDMN
O=c1ccc([N+](=O)[O-])cn1CCN(CCO)Cc1cccc(Br)c1	ZINC000488236507	650743222	/nfs/dbraw/zinc/74/32/22/650743222.db2.gz	QSUCQTDDTHHSAL-UHFFFAOYSA-N	0	1	396.241	2.014	20	5		GEBDMN
Cc1cc(C)c(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-]	ZINC000491542356	650786941	/nfs/dbraw/zinc/78/69/41/650786941.db2.gz	CRWARIMBZPLJJH-UHFFFAOYSA-N	0	1	384.435	2.416	20	5		GEBDMN
O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC1(c2nn[nH]n2)CCCC1	ZINC000541433349	650875887	/nfs/dbraw/zinc/87/58/87/650875887.db2.gz	FLUHTWDVMQALCB-UHFFFAOYSA-N	0	1	382.833	2.439	20	5		GEBDMN
CC1(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC[NH2+]CC1	ZINC000193371786	645268533	/nfs/dbraw/zinc/26/85/33/645268533.db2.gz	ASSWBEWOEMPMID-UHFFFAOYSA-N	0	1	392.275	2.025	20	5		GEBDMN
O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)NN=c1ccc(C(F)(F)F)c[nH]1	ZINC000194119044	645313598	/nfs/dbraw/zinc/31/35/98/645313598.db2.gz	BUSRXTAIRVMAAF-UHFFFAOYSA-N	0	1	380.279	2.453	20	5		GEBDMN
[NH3+]C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000237904173	645448036	/nfs/dbraw/zinc/44/80/36/645448036.db2.gz	UMOHKVVQYXFEJD-ONGXEEELSA-N	0	1	392.275	2.153	20	5		GEBDMN
COc1ccc(Br)cc1CN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000266472805	645845702	/nfs/dbraw/zinc/84/57/02/645845702.db2.gz	RTSGVGJBGYRYLP-CQSZACIVSA-N	0	1	399.245	2.055	20	5		GEBDMN
O=C(Nc1nc(SCCO)n[nH]1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000270924779	646153862	/nfs/dbraw/zinc/15/38/62/646153862.db2.gz	XBHQCEXYUNBIRM-UHFFFAOYSA-N	0	1	377.304	2.068	20	5		GEBDMN
C[C@@H]1CN(CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCO1	ZINC000277677621	646460363	/nfs/dbraw/zinc/46/03/63/646460363.db2.gz	GOQNGBAULXJKNT-GFCCVEGCSA-N	0	1	391.877	2.027	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@H]2CCO[C@]3(CCOC3)C2)c1	ZINC000367217179	647724054	/nfs/dbraw/zinc/72/40/54/647724054.db2.gz	JVMPMNADWDTRGH-LKFCYVNXSA-N	0	1	394.808	2.004	20	5		GEBDMN
Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@H](c3nc[nH]n3)C2)cc1[N+](=O)[O-]	ZINC000370295795	647783586	/nfs/dbraw/zinc/78/35/86/647783586.db2.gz	ABZZJPAGXSUZDH-JTQLQIEISA-N	0	1	385.833	2.243	20	5		GEBDMN
CC(C)NC(=O)[C@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000416626211	648192194	/nfs/dbraw/zinc/19/21/94/648192194.db2.gz	UGKRRIZWEKHWDD-ZETCQYMHSA-N	0	1	384.241	2.093	20	5		GEBDMN
CN(C[C@H]1CCCN1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000420764827	648453352	/nfs/dbraw/zinc/45/33/52/648453352.db2.gz	KMSPWIMVPWETER-LLVKDONJSA-N	0	1	392.275	2.072	20	5		GEBDMN
CN[C@H](C)c1cn(Cc2cc(I)cc([N+](=O)[O-])c2)nn1	ZINC000603237271	651473022	/nfs/dbraw/zinc/47/30/22/651473022.db2.gz	PUGAHGUIEDFRJG-MRVPVSSYSA-N	0	1	387.181	2.120	20	5		GEBDMN
CC(C)OCc1nc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])s2)no1	ZINC000563482424	651526547	/nfs/dbraw/zinc/52/65/47/651526547.db2.gz	NDIAYKWTZRXWIF-QMMMGPOBSA-N	0	1	376.416	2.004	20	5		GEBDMN
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2nn[nH]n2)C1	ZINC000565646740	651595525	/nfs/dbraw/zinc/59/55/25/651595525.db2.gz	DJOXMBSUFBGNHF-SECBINFHSA-N	0	1	395.217	2.199	20	5		GEBDMN
C[C@@H](O)CN1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1	ZINC000609512042	651621568	/nfs/dbraw/zinc/62/15/68/651621568.db2.gz	AOOLLAHZVODJCX-LLVKDONJSA-N	0	1	395.257	2.408	20	5		GEBDMN
Cc1cc(CNS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)n[nH]1	ZINC000610338518	651656897	/nfs/dbraw/zinc/65/68/97/651656897.db2.gz	FDQBQUWTJSNLKI-UHFFFAOYSA-N	0	1	389.231	2.176	20	5		GEBDMN
CCOC(=O)c1sc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)nc1C	ZINC000610549849	651669742	/nfs/dbraw/zinc/66/97/42/651669742.db2.gz	QXVQJBMTTZTIEB-UHFFFAOYSA-N	0	1	391.452	2.076	20	5		GEBDMN
O=[N+]([O-])c1cc(Br)cnc1N1CCN(CC2CCOCC2)CC1	ZINC000610769887	651684216	/nfs/dbraw/zinc/68/42/16/651684216.db2.gz	HZZIZFPYNSXFSH-UHFFFAOYSA-N	0	1	385.262	2.301	20	5		GEBDMN
CN(C)C[C@@H]1CCCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-]	ZINC000757506033	652517946	/nfs/dbraw/zinc/51/79/46/652517946.db2.gz	MTPBNJLCZYWZBG-JTQLQIEISA-N	0	1	381.376	2.419	20	5		GEBDMN
CC1(C)OCC(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CO1	ZINC000758629629	652548922	/nfs/dbraw/zinc/54/89/22/652548922.db2.gz	ADOJGVYJISRGPT-UHFFFAOYSA-N	0	1	385.225	2.331	20	5		GEBDMN
O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@H](c1cccs1)N1CCCC1	ZINC000594744943	652679641	/nfs/dbraw/zinc/67/96/41/652679641.db2.gz	OZSXFOQVDXEBRP-CYBMUJFWSA-N	0	1	382.467	2.167	20	5		GEBDMN
CCOC(=O)c1cc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)[nH]n1	ZINC000763381272	652754555	/nfs/dbraw/zinc/75/45/55/652754555.db2.gz	IRQQBDLUXLZZEW-UHFFFAOYSA-N	0	1	388.789	2.257	20	5		GEBDMN
COCCN1CCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1	ZINC000599160875	652851420	/nfs/dbraw/zinc/85/14/20/652851420.db2.gz	KHRWHNWNJSXORN-UHFFFAOYSA-N	0	1	386.246	2.152	20	5		GEBDMN
O=[N+]([O-])c1ccc(-c2ccc(CN(CCO)CCO)o2)c(Br)c1	ZINC000600179603	652906206	/nfs/dbraw/zinc/90/62/06/652906206.db2.gz	RBCFXJBUKQGSCA-UHFFFAOYSA-N	0	1	385.214	2.404	20	5		GEBDMN
COCCOc1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1OC	ZINC000768864441	653133136	/nfs/dbraw/zinc/13/31/36/653133136.db2.gz	CJFFRARBORNEBK-UHFFFAOYSA-N	0	1	388.423	2.491	20	5		GEBDMN
O=[N+]([O-])c1sc(CNC[C@@H]2CCCS(=O)(=O)C2)cc1Br	ZINC000602664562	653198739	/nfs/dbraw/zinc/19/87/39/653198739.db2.gz	GTJJODNJQFCWJO-QMMMGPOBSA-N	0	1	383.289	2.333	20	5		GEBDMN
Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](Oc2cncc(Br)c2)C1	ZINC000602886645	653212601	/nfs/dbraw/zinc/21/26/01/653212601.db2.gz	LBLSPXMJBVQREN-CYBMUJFWSA-N	0	1	396.245	2.411	20	5		GEBDMN
CCCC[C@H](NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(=O)OC	ZINC000809830860	653305569	/nfs/dbraw/zinc/30/55/69/653305569.db2.gz	GUQIJJGITOGDCS-JTQLQIEISA-N	0	1	382.797	2.397	20	5		GEBDMN
CCOC(=O)C1=CC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1	ZINC000859316956	653440199	/nfs/dbraw/zinc/44/01/99/653440199.db2.gz	IEOBCQVEGKEFIP-VIFPVBQESA-N	0	1	392.792	2.318	20	5		GEBDMN
COc1ccncc1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000814278733	653626411	/nfs/dbraw/zinc/62/64/11/653626411.db2.gz	RVBREYXKSLPDSC-UHFFFAOYSA-N	0	1	375.765	2.269	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000814987196	653642058	/nfs/dbraw/zinc/64/20/58/653642058.db2.gz	LLKMWLCXRYIHCR-VIFPVBQESA-N	0	1	377.825	2.150	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CC[N@H+](C2CC2)C1	ZINC000814987196	653642061	/nfs/dbraw/zinc/64/20/61/653642061.db2.gz	LLKMWLCXRYIHCR-VIFPVBQESA-N	0	1	377.825	2.150	20	5		GEBDMN
C[NH+](C)[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCSC1	ZINC000815020696	653644459	/nfs/dbraw/zinc/64/44/59/653644459.db2.gz	CMHMFTIMBLMROO-CYBMUJFWSA-N	0	1	397.881	2.103	20	5		GEBDMN
Cc1nc(CN2CCN(Cc3cccc([N+](=O)[O-])c3Br)CC2)n[nH]1	ZINC000839527401	653653799	/nfs/dbraw/zinc/65/37/99/653653799.db2.gz	MNFJOWQFSCREFK-UHFFFAOYSA-N	0	1	395.261	2.102	20	5		GEBDMN
O=C(NCC1(c2ccc(Br)cc2)CCOCC1)[C@@H]1CC1[N+](=O)[O-]	ZINC000839623933	653658261	/nfs/dbraw/zinc/65/82/61/653658261.db2.gz	BXZLNIGNLNMDCH-ZIAGYGMSSA-N	0	1	383.242	2.279	20	5		GEBDMN
O=C(NCCSCCOc1cccc(Br)c1)[C@@H]1CC1[N+](=O)[O-]	ZINC000839679245	653659961	/nfs/dbraw/zinc/65/99/61/653659961.db2.gz	DYOQQZGDPVHAOP-CHWSQXEVSA-N	0	1	389.271	2.343	20	5		GEBDMN
O=C(Nc1cc(Br)cc(C(=O)N2CCCC2)c1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000839748191	653662493	/nfs/dbraw/zinc/66/24/93/653662493.db2.gz	IJRBTUNCDMDOPK-CHWSQXEVSA-N	0	1	382.214	2.289	20	5		GEBDMN
Cc1c(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cccc1N1CCNC1=O	ZINC000782494506	653662767	/nfs/dbraw/zinc/66/27/67/653662767.db2.gz	IDUJTYWUFSEPCY-UHFFFAOYSA-N	0	1	382.423	2.295	20	5		GEBDMN
CSc1nnc(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1	ZINC000782515632	653663392	/nfs/dbraw/zinc/66/33/92/653663392.db2.gz	HMFGIRIAOIXGIC-UHFFFAOYSA-N	0	1	380.860	2.300	20	5		GEBDMN
C[C@H]1CCCN1CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000841516412	653725201	/nfs/dbraw/zinc/72/52/01/653725201.db2.gz	ZAWPLTDFRAAZAN-JTQLQIEISA-N	0	1	381.376	2.376	20	5		GEBDMN
O=C(CCNC(=O)C(F)(F)F)COc1ccc(Br)cc1[N+](=O)[O-]	ZINC000865358296	653762271	/nfs/dbraw/zinc/76/22/71/653762271.db2.gz	WKIOMOTVJIGZLF-UHFFFAOYSA-N	0	1	399.119	2.374	20	5		GEBDMN
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CCC[C@H]1CCC[NH2+]1	ZINC000842896550	653772916	/nfs/dbraw/zinc/77/29/16/653772916.db2.gz	WRFZQVVUKMPBAV-LLVKDONJSA-N	0	1	392.275	2.168	20	5		GEBDMN
CCC[C@@](C)(NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)OC	ZINC000795786990	653966515	/nfs/dbraw/zinc/96/65/15/653966515.db2.gz	QCZACPIFYDVKEP-CYBMUJFWSA-N	0	1	382.797	2.397	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-][C@@H]2CC[N@@H+]3CCCC[C@H]23)c1	ZINC000795796334	653967309	/nfs/dbraw/zinc/96/73/09/653967309.db2.gz	OHRDPRBDMYLUES-VXGBXAGGSA-N	0	1	377.825	2.292	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-][C@@H]2CC[N@H+]3CCCC[C@H]23)c1	ZINC000795796334	653967311	/nfs/dbraw/zinc/96/73/11/653967311.db2.gz	OHRDPRBDMYLUES-VXGBXAGGSA-N	0	1	377.825	2.292	20	5		GEBDMN
C[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C[NH+]1CCCC1	ZINC000795806820	653967606	/nfs/dbraw/zinc/96/76/06/653967606.db2.gz	ZRKWMLCOXSYBQB-JTQLQIEISA-N	0	1	379.841	2.398	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCc2ccc(CO)c(F)c2)c1	ZINC000795857144	653971582	/nfs/dbraw/zinc/97/15/82/653971582.db2.gz	VJFHAHNAEKKHSA-UHFFFAOYSA-N	0	1	392.767	2.497	20	5		GEBDMN
C[C@H](CC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])[NH+](C)C	ZINC000849429917	654032693	/nfs/dbraw/zinc/03/26/93/654032693.db2.gz	XFQAKCQLPQJDKE-MRVPVSSYSA-N	0	1	398.254	2.115	20	5		GEBDMN
CC(C)c1nc(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])n[nH]1	ZINC000828511598	654039439	/nfs/dbraw/zinc/03/94/39/654039439.db2.gz	QKLOFGYAIOGJMI-UHFFFAOYSA-N	0	1	375.357	2.445	20	5		GEBDMN
C[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)Cn1cccn1	ZINC000798225692	654054966	/nfs/dbraw/zinc/05/49/66/654054966.db2.gz	HJOZXWHSJYCPPR-VIFPVBQESA-N	0	1	376.797	2.198	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@H]2c3ccccc3C[C@H]2O)c1	ZINC000798227148	654055782	/nfs/dbraw/zinc/05/57/82/654055782.db2.gz	KHEVOYHMRAFHTI-DOMZBBRYSA-N	0	1	386.788	2.324	20	5		GEBDMN
O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[C@H]2[C@H]1CCCN2CCO	ZINC000900790875	654080394	/nfs/dbraw/zinc/08/03/94/654080394.db2.gz	AIOHXNUIGMDNAU-QWHCGFSZSA-N	0	1	398.257	2.029	20	5		GEBDMN
C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CN(C)CCN1C	ZINC000900812093	654082095	/nfs/dbraw/zinc/08/20/95/654082095.db2.gz	RHHMPABZMKZIKE-SMDDNHRTSA-N	0	1	386.905	2.091	20	5		GEBDMN
CS(=O)(=O)c1ccc(F)c(NS(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])c1	ZINC000917735952	654132818	/nfs/dbraw/zinc/13/28/18/654132818.db2.gz	ZCOURMLEJJRAKV-UHFFFAOYSA-N	0	1	392.361	2.077	20	5		GEBDMN
CN(CC(=O)NCCN1CC=CCC1)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000803284781	654272309	/nfs/dbraw/zinc/27/23/09/654272309.db2.gz	RYNYFDIUJANJLQ-UHFFFAOYSA-N	0	1	397.273	2.172	20	5		GEBDMN
CN(C)[C@@H](CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(F)(F)F	ZINC000921633149	654295965	/nfs/dbraw/zinc/29/59/65/654295965.db2.gz	IPEGBUULDGWUNQ-JTQLQIEISA-N	0	1	389.783	2.409	20	5		GEBDMN
COC(OC)[C@@H](C)NCc1cc(I)cc([N+](=O)[O-])c1	ZINC000922312663	654382629	/nfs/dbraw/zinc/38/26/29/654382629.db2.gz	GNMVFIVILMHYOT-MRVPVSSYSA-N	0	1	380.182	2.296	20	5		GEBDMN
Cc1cc([N+](=O)[O-])c(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1Cl	ZINC001164737251	720667561	/nfs/dbraw/zinc/66/75/61/720667561.db2.gz	DUMSXUJEXGDKDC-OLZOCXBDSA-N	0	1	390.831	2.084	20	5		GEBDMN
CC(C)N(C)Cc1cnc2n1CCN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])[C@@H]2C	ZINC001164857123	720976856	/nfs/dbraw/zinc/97/68/56/720976856.db2.gz	CLAHACLWLKEARA-GFCCVEGCSA-N	0	1	394.863	2.500	20	5		GEBDMN
Cc1nc(Cl)nc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c1[N+](=O)[O-]	ZINC001164762976	721074530	/nfs/dbraw/zinc/07/45/30/721074530.db2.gz	FPWLKYRFSUWYRB-KGLIPLIRSA-N	0	1	391.863	2.038	20	5		GEBDMN
Cn1cc(CN2CC[C@H]3CN(c4ncc(Cl)cc4[N+](=O)[O-])C[C@@H]3C2)cn1	ZINC001164771583	721077912	/nfs/dbraw/zinc/07/79/12/721077912.db2.gz	SCESOHNZPJJYLU-KBPBESRZSA-N	0	1	376.848	2.335	20	5		GEBDMN
Cn1cc(CN2CC[C@H]3CN(c4cnc5ccc([N+](=O)[O-])cc5n4)C[C@@H]3C2)cn1	ZINC001164772679	721085785	/nfs/dbraw/zinc/08/57/85/721085785.db2.gz	VRNKKQMWEUFWHY-HOTGVXAUSA-N	0	1	393.451	2.230	20	5		GEBDMN
COc1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c([N+](=O)[O-])c1	ZINC001164979784	722112838	/nfs/dbraw/zinc/11/28/38/722112838.db2.gz	PYQMDCWPKFTZPV-APWZRJJASA-N	0	1	399.451	2.121	20	5		GEBDMN
Cc1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000014867602	531566010	/nfs/dbraw/zinc/56/60/10/531566010.db2.gz	QPYYJPYKCYHCQA-UHFFFAOYSA-N	0	1	384.435	2.416	20	5		GEBDMN
C[C@@H](CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[S@@](C)=O	ZINC000124075110	532113570	/nfs/dbraw/zinc/11/35/70/532113570.db2.gz	YZFHNZIABPZBSM-SGWXMTNESA-N	0	1	389.282	2.337	20	5		GEBDMN
Cc1[nH]ncc1CNC(=O)c1cc(I)cc([N+](=O)[O-])c1	ZINC000179647720	532239944	/nfs/dbraw/zinc/23/99/44/532239944.db2.gz	OETMJMSRZTWMBP-UHFFFAOYSA-N	0	1	386.149	2.161	20	5		GEBDMN
C[C@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)nc1	ZINC000180942398	532286908	/nfs/dbraw/zinc/28/69/08/532286908.db2.gz	JEHGGCMHXNSBAB-NSHDSACASA-N	0	1	384.845	2.272	20	5		GEBDMN
COC(=O)C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccc(Br)c1	ZINC000138234364	532291282	/nfs/dbraw/zinc/29/12/82/532291282.db2.gz	RJSXYYTXMGORAA-SNVBAGLBSA-N	0	1	397.185	2.115	20	5		GEBDMN
Cc1cc(Cl)c(S(=O)(=O)N2CCC(c3nc[nH]n3)CC2)cc1[N+](=O)[O-]	ZINC000371901978	532362386	/nfs/dbraw/zinc/36/23/86/532362386.db2.gz	IQNYNWRRCZTYNE-UHFFFAOYSA-N	0	1	385.833	2.243	20	5		GEBDMN
CC[C@@](C)(NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(F)(F)F	ZINC000558702413	532396807	/nfs/dbraw/zinc/39/68/07/532396807.db2.gz	RNDSWLQOACSBRU-GFCCVEGCSA-N	0	1	384.332	2.375	20	5		GEBDMN
CS(=O)(=O)Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1F	ZINC000468945214	532482114	/nfs/dbraw/zinc/48/21/14/532482114.db2.gz	MFOPRAZGTQJGQF-UHFFFAOYSA-N	0	1	388.398	2.079	20	5		GEBDMN
Cc1[nH]nc(C(=O)N2CCOc3ccc(Br)cc3C2)c1[N+](=O)[O-]	ZINC000282967786	532509631	/nfs/dbraw/zinc/50/96/31/532509631.db2.gz	BAWQVPGSMZWHDP-UHFFFAOYSA-N	0	1	381.186	2.424	20	5		GEBDMN
COC[C@@H](CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])OC	ZINC000594796406	532530497	/nfs/dbraw/zinc/53/04/97/532530497.db2.gz	YULVUCUYDSLDAK-SECBINFHSA-N	0	1	387.241	2.231	20	5		GEBDMN
CN1CCO[C@@H]2CN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])C[C@H]21	ZINC000471691649	532557265	/nfs/dbraw/zinc/55/72/65/532557265.db2.gz	GWUKMCYICQKABF-HUUCEWRRSA-N	0	1	393.241	2.425	20	5		GEBDMN
CN1CC[C@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)C[C@H]21	ZINC000375710748	532577922	/nfs/dbraw/zinc/57/79/22/532577922.db2.gz	MWAIPPXZVIYTIA-JOYOIKCWSA-N	0	1	377.825	2.102	20	5		GEBDMN
Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1	ZINC000473771791	532598936	/nfs/dbraw/zinc/59/89/36/532598936.db2.gz	FXJOMEMQDDUJKM-UHFFFAOYSA-N	0	1	384.435	2.416	20	5		GEBDMN
O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC[C@H](c2nc[nH]n2)C1	ZINC000377182819	532646764	/nfs/dbraw/zinc/64/67/64/532646764.db2.gz	GNLLKHNHGGKSTF-VIFPVBQESA-N	0	1	380.202	2.495	20	5		GEBDMN
Cc1c(Br)cc(S(=O)(=O)N(C)Cc2cnc[nH]2)cc1[N+](=O)[O-]	ZINC000569710813	532704953	/nfs/dbraw/zinc/70/49/53/532704953.db2.gz	WYVDUPNJGZWMEW-UHFFFAOYSA-N	0	1	389.231	2.210	20	5		GEBDMN
Cc1ccc(S(=O)(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)c([N+](=O)[O-])c1	ZINC000446950197	532756510	/nfs/dbraw/zinc/75/65/10/532756510.db2.gz	LLVUQBSEEYDIHX-LBPRGKRZSA-N	0	1	378.332	2.219	20	5		GEBDMN
C[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(C)C1CC1	ZINC000416387247	532874648	/nfs/dbraw/zinc/87/46/48/532874648.db2.gz	MENINDCGPNCENN-SECBINFHSA-N	0	1	381.376	2.375	20	5		GEBDMN
C[N@H+](CC(=O)[O-])C[C@@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCO1	ZINC000416406269	532876708	/nfs/dbraw/zinc/87/67/08/532876708.db2.gz	XJKSMGQXYAJHLI-SNVBAGLBSA-N	0	1	378.212	2.123	20	5		GEBDMN
C[C@H]1C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c2ccsc2S1(=O)=O	ZINC000291431295	532901759	/nfs/dbraw/zinc/90/17/59/532901759.db2.gz	BCSSMEROFWCNJF-SDBXPKJASA-N	0	1	382.419	2.399	20	5		GEBDMN
O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1	ZINC000368849795	532934959	/nfs/dbraw/zinc/93/49/59/532934959.db2.gz	KWKUQLPZYDDANP-KBPBESRZSA-N	0	1	396.241	2.291	20	5		GEBDMN
O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CCc2nc[nH]c2C1	ZINC000371308556	532947506	/nfs/dbraw/zinc/94/75/06/532947506.db2.gz	PRRVLAFTQHOGFI-JTQLQIEISA-N	0	1	379.214	2.297	20	5		GEBDMN
C[C@@H](N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cccc([N+](=O)[O-])c1	ZINC000736132920	598960724	/nfs/dbraw/zinc/96/07/24/598960724.db2.gz	PPGGJALURZNSSE-SJKOYZFVSA-N	0	1	393.407	2.231	20	5		GEBDMN
CCc1[nH]nc(C(=O)N(CC)[C@H](C)c2ccc(-c3nn[nH]n3)cc2)c1[N+](=O)[O-]	ZINC000736668445	598565670	/nfs/dbraw/zinc/56/56/70/598565670.db2.gz	XVRFMWGNFPLWNX-SNVBAGLBSA-N	0	1	384.400	2.284	20	5		GEBDMN
COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC3(C[C@H]3C(=O)[O-])CC2)c([N+](=O)[O-])c1	ZINC000738025165	600310376	/nfs/dbraw/zinc/31/03/76/600310376.db2.gz	GJGMNTGDHMNHOB-YPMHNXCESA-N	0	1	377.397	2.117	20	5		GEBDMN
O=C([O-])c1cc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-]	ZINC000740087320	600442760	/nfs/dbraw/zinc/44/27/60/600442760.db2.gz	JPGSAHYQMKVAMX-UHFFFAOYSA-N	0	1	399.403	2.016	20	5		GEBDMN
O=C([O-])CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H]1CCCO1	ZINC000570575626	600509214	/nfs/dbraw/zinc/50/92/14/600509214.db2.gz	XCRBKVXWDCLKQG-CQSZACIVSA-N	0	1	376.369	2.101	20	5		GEBDMN
O=C([O-])CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H]1CCCO1	ZINC000570575626	600509215	/nfs/dbraw/zinc/50/92/15/600509215.db2.gz	XCRBKVXWDCLKQG-CQSZACIVSA-N	0	1	376.369	2.101	20	5		GEBDMN
CCCNC(=O)C[NH+]1CCC(Nc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000737024257	600942161	/nfs/dbraw/zinc/94/21/61/600942161.db2.gz	DJIVGCAMWJZEQY-UHFFFAOYSA-N	0	1	398.847	2.349	20	5		GEBDMN
CC[N@@H+](CCC(=O)[O-])CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	ZINC000829702030	600993224	/nfs/dbraw/zinc/99/32/24/600993224.db2.gz	ZSSMEPCHKUODPT-UHFFFAOYSA-N	0	1	378.410	2.453	20	5		GEBDMN
CC[N@H+]1CCCC[C@H]1CNc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000829771397	601444504	/nfs/dbraw/zinc/44/45/04/601444504.db2.gz	VYMXEQJPVJJCST-JSGCOSHPSA-N	0	1	378.429	2.084	20	5		GEBDMN
COc1ccc(NC(=O)C[N@@H+](C2CC2)C2CCN(C(=O)[O-])CC2)c([N+](=O)[O-])c1	ZINC000739922011	601934113	/nfs/dbraw/zinc/93/41/13/601934113.db2.gz	WXPFJABPVKMPEW-UHFFFAOYSA-N	0	1	392.412	2.149	20	5		GEBDMN
Cc1cc(N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000576994680	602317630	/nfs/dbraw/zinc/31/76/30/602317630.db2.gz	TVYAFJPTIKKBFG-HNNXBMFYSA-N	0	1	376.457	2.208	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)NC2CCCCCCC2)c1-c1nn[nH]n1	ZINC000826500310	607575021	/nfs/dbraw/zinc/57/50/21/607575021.db2.gz	SXKURHQPGQLTTD-UHFFFAOYSA-N	0	1	380.430	2.166	20	5		GEBDMN
CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000825194409	607586947	/nfs/dbraw/zinc/58/69/47/607586947.db2.gz	QOSQZWBTRIKMMX-GHMZBOCLSA-N	0	1	380.430	2.022	20	5		GEBDMN
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1	ZINC000739931057	602835461	/nfs/dbraw/zinc/83/54/61/602835461.db2.gz	CCYNBUGWMNUKAT-TXEJJXNPSA-N	0	1	380.401	2.005	20	5		GEBDMN
CC(C)CN(C1CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000824255764	607600084	/nfs/dbraw/zinc/60/00/84/607600084.db2.gz	WWWQNXOTPANXFX-UHFFFAOYSA-N	0	1	394.457	2.364	20	5		GEBDMN
C[C@H]1CCC[C@H](CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1	ZINC000824925258	607616528	/nfs/dbraw/zinc/61/65/28/607616528.db2.gz	CHYRSPUCMDGSEG-NWDGAFQWSA-N	0	1	394.457	2.270	20	5		GEBDMN
CCN(CC1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1)C(=O)[O-]	ZINC000827093675	603543615	/nfs/dbraw/zinc/54/36/15/603543615.db2.gz	QTYNAFFBYGRWKF-UHFFFAOYSA-N	0	1	378.429	2.270	20	5		GEBDMN
C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C1CCCCC1	ZINC000824641555	607645297	/nfs/dbraw/zinc/64/52/97/607645297.db2.gz	WVSYEOCUSIGOSW-JTQLQIEISA-N	0	1	380.430	2.022	20	5		GEBDMN
C[C@@H]1CCC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@H]1CNC(=O)[O-]	ZINC000825926346	603709459	/nfs/dbraw/zinc/70/94/59/603709459.db2.gz	WNGAOAKVDBZUSE-DOMZBBRYSA-N	0	1	392.412	2.261	20	5		GEBDMN
COc1ccc(NC(=O)CC[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])c([N+](=O)[O-])c1	ZINC000829454352	603974952	/nfs/dbraw/zinc/97/49/52/603974952.db2.gz	UQTNLXVQWGVJJL-OLZOCXBDSA-N	0	1	392.412	2.149	20	5		GEBDMN
CC1(C)CCCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000824802633	607669089	/nfs/dbraw/zinc/66/90/89/607669089.db2.gz	NMXIETWZVOPEEY-LBPRGKRZSA-N	0	1	380.430	2.022	20	5		GEBDMN
C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1	ZINC000825262259	604161305	/nfs/dbraw/zinc/16/13/05/604161305.db2.gz	AAXSLFAOKRXADR-QWHCGFSZSA-N	0	1	392.412	2.261	20	5		GEBDMN
C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-]	ZINC000833625755	604613342	/nfs/dbraw/zinc/61/33/42/604613342.db2.gz	ZXEDTYKXLAIKMP-RYUDHWBXSA-N	0	1	381.454	2.326	20	5		GEBDMN
C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-]	ZINC000833625755	604613343	/nfs/dbraw/zinc/61/33/43/604613343.db2.gz	ZXEDTYKXLAIKMP-RYUDHWBXSA-N	0	1	381.454	2.326	20	5		GEBDMN
C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-]	ZINC000833625756	604613392	/nfs/dbraw/zinc/61/33/92/604613392.db2.gz	ZXEDTYKXLAIKMP-VXGBXAGGSA-N	0	1	381.454	2.326	20	5		GEBDMN
C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-]	ZINC000833625756	604613395	/nfs/dbraw/zinc/61/33/95/604613395.db2.gz	ZXEDTYKXLAIKMP-VXGBXAGGSA-N	0	1	381.454	2.326	20	5		GEBDMN
C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-]	ZINC000833625753	604613735	/nfs/dbraw/zinc/61/37/35/604613735.db2.gz	ZXEDTYKXLAIKMP-NWDGAFQWSA-N	0	1	381.454	2.326	20	5		GEBDMN
C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-]	ZINC000833625753	604613738	/nfs/dbraw/zinc/61/37/38/604613738.db2.gz	ZXEDTYKXLAIKMP-NWDGAFQWSA-N	0	1	381.454	2.326	20	5		GEBDMN
CN(C(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-])[C@@H]1CC[N@H+](C2CC2)C1	ZINC000833686400	605021177	/nfs/dbraw/zinc/02/11/77/605021177.db2.gz	UMKFBBPTCPCRGD-CQSZACIVSA-N	0	1	393.465	2.470	20	5		GEBDMN
O=C([O-])N[C@@H]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]21	ZINC000834178245	605442760	/nfs/dbraw/zinc/44/27/60/605442760.db2.gz	DOBHYKXDJDADML-BFHYXJOUSA-N	0	1	376.413	2.292	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@@H]2C1	ZINC000833908006	605450337	/nfs/dbraw/zinc/45/03/37/605450337.db2.gz	YXRNKUDMRREIGL-CFVMTHIKSA-N	0	1	376.413	2.210	20	5		GEBDMN
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@H]2C1	ZINC000833791189	605450401	/nfs/dbraw/zinc/45/04/01/605450401.db2.gz	SVZWURGYVOWMRZ-GUYJKWIASA-N	0	1	376.413	2.290	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@@H]2C1	ZINC000833908007	605450487	/nfs/dbraw/zinc/45/04/87/605450487.db2.gz	YXRNKUDMRREIGL-NWANDNLSSA-N	0	1	376.413	2.210	20	5		GEBDMN
C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC2(C1)CCN(C(=O)[O-])CC2	ZINC000833789413	605895809	/nfs/dbraw/zinc/89/58/09/605895809.db2.gz	JLCWVAWYRKXHPM-ZDUSSCGKSA-N	0	1	376.413	2.388	20	5		GEBDMN
CSc1nnc(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1	ZINC000445697950	649963789	/nfs/dbraw/zinc/96/37/89/649963789.db2.gz	VTNLFLRPRREGSM-UHFFFAOYSA-N	0	1	380.860	2.300	20	5		GEBDMN
C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1	ZINC000820705545	606710645	/nfs/dbraw/zinc/71/06/45/606710645.db2.gz	UZXGBYGEPSHVIU-KGLIPLIRSA-N	0	1	386.460	2.261	20	5		GEBDMN
C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1	ZINC000820705545	606710647	/nfs/dbraw/zinc/71/06/47/606710647.db2.gz	UZXGBYGEPSHVIU-KGLIPLIRSA-N	0	1	386.460	2.261	20	5		GEBDMN
C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1	ZINC000820705545	606710649	/nfs/dbraw/zinc/71/06/49/606710649.db2.gz	UZXGBYGEPSHVIU-KGLIPLIRSA-N	0	1	386.460	2.261	20	5		GEBDMN
C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1	ZINC000820705545	606710650	/nfs/dbraw/zinc/71/06/50/606710650.db2.gz	UZXGBYGEPSHVIU-KGLIPLIRSA-N	0	1	386.460	2.261	20	5		GEBDMN
CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-]	ZINC000821597863	606713374	/nfs/dbraw/zinc/71/33/74/606713374.db2.gz	JXJBHCAMKNKMLQ-OAHLLOKOSA-N	0	1	394.439	2.128	20	5		GEBDMN
CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-]	ZINC000821597863	606713376	/nfs/dbraw/zinc/71/33/76/606713376.db2.gz	JXJBHCAMKNKMLQ-OAHLLOKOSA-N	0	1	394.439	2.128	20	5		GEBDMN
CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-]	ZINC000821597863	606713378	/nfs/dbraw/zinc/71/33/78/606713378.db2.gz	JXJBHCAMKNKMLQ-OAHLLOKOSA-N	0	1	394.439	2.128	20	5		GEBDMN
CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-]	ZINC000821597863	606713379	/nfs/dbraw/zinc/71/33/79/606713379.db2.gz	JXJBHCAMKNKMLQ-OAHLLOKOSA-N	0	1	394.439	2.128	20	5		GEBDMN
CC(C)CN(CC(C)(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000820087634	606794324	/nfs/dbraw/zinc/79/43/24/606794324.db2.gz	UXGZZUHSYXIYBN-UHFFFAOYSA-N	0	1	396.473	2.468	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H](c1cccs1)[NH+]1CCCC1	ZINC000823620783	607163296	/nfs/dbraw/zinc/16/32/96/607163296.db2.gz	QATAZOYAUZKVAR-LBPRGKRZSA-N	0	1	386.441	2.480	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H](c1cccs1)[NH+]1CCCC1	ZINC000823620783	607163298	/nfs/dbraw/zinc/16/32/98/607163298.db2.gz	QATAZOYAUZKVAR-LBPRGKRZSA-N	0	1	386.441	2.480	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1cccc(C[NH+]2CCCC2)c1	ZINC000823625161	607168561	/nfs/dbraw/zinc/16/85/61/607168561.db2.gz	RNQDQDYKXNPAGG-UHFFFAOYSA-N	0	1	380.412	2.378	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1cccc(C[NH+]2CCCC2)c1	ZINC000823625161	607168563	/nfs/dbraw/zinc/16/85/63/607168563.db2.gz	RNQDQDYKXNPAGG-UHFFFAOYSA-N	0	1	380.412	2.378	20	5		GEBDMN
Cc1ccc(N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)c([N+](=O)[O-])c1	ZINC000826290191	607819000	/nfs/dbraw/zinc/81/90/00/607819000.db2.gz	FEFIWOPFBYAXLP-UHFFFAOYSA-N	0	1	396.411	2.275	20	5		GEBDMN
Cc1cccc(NC[C@@H]2CCN(c3ccc(-c4nn[nH]n4)c([N+](=O)[O-])c3)C2)n1	ZINC000826299570	607841333	/nfs/dbraw/zinc/84/13/33/607841333.db2.gz	LFRNDYLEYAYDHP-ZDUSSCGKSA-N	0	1	380.412	2.417	20	5		GEBDMN
COc1ccc(NC(=O)CN[C@@H](C)c2cccc(-c3nn[nH]n3)c2)c([N+](=O)[O-])c1	ZINC000826209468	608494030	/nfs/dbraw/zinc/49/40/30/608494030.db2.gz	CWBYVNBPMUVNGW-NSHDSACASA-N	0	1	397.395	2.073	20	5		GEBDMN
O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)cc1	ZINC000826499118	608873111	/nfs/dbraw/zinc/87/31/11/608873111.db2.gz	WMONGKZUCFZSGD-UHFFFAOYSA-N	0	1	380.773	2.229	20	5		GEBDMN
O=C(c1cc(O)cc([N+](=O)[O-])c1)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1	ZINC000826470324	609145412	/nfs/dbraw/zinc/14/54/12/609145412.db2.gz	MGCACIFSIZILGO-UHFFFAOYSA-N	0	1	380.364	2.285	20	5		GEBDMN
O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H](c3cccc(Br)c3)C2)c1	ZINC000451576098	650126995	/nfs/dbraw/zinc/12/69/95/650126995.db2.gz	ZKPIOSMFKRMMGP-CZUORRHYSA-N	0	1	395.257	2.404	20	5		GEBDMN
NC(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1	ZINC000462355654	650476838	/nfs/dbraw/zinc/47/68/38/650476838.db2.gz	GIQDWBOZLATPQZ-IONNQARKSA-N	0	1	396.252	2.224	20	5		GEBDMN
O=c1ccccn1CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000462148226	650471100	/nfs/dbraw/zinc/47/11/00/650471100.db2.gz	ZOIZDULWJLXVHG-UHFFFAOYSA-N	0	1	392.220	2.042	20	5		GEBDMN
C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCN1C	ZINC000462500538	650481962	/nfs/dbraw/zinc/48/19/62/650481962.db2.gz	LAKXNENNNKMFPV-ONGXEEELSA-N	0	1	392.275	2.118	20	5		GEBDMN
CCc1nc([C@@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)n[nH]1	ZINC000477312793	650573844	/nfs/dbraw/zinc/57/38/44/650573844.db2.gz	YDHXKZLHDBRIRA-MRVPVSSYSA-N	0	1	382.218	2.458	20	5		GEBDMN
CCc1nc([C@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)n[nH]1	ZINC000477312794	650573876	/nfs/dbraw/zinc/57/38/76/650573876.db2.gz	YDHXKZLHDBRIRA-QMMMGPOBSA-N	0	1	382.218	2.458	20	5		GEBDMN
COC(=O)[C@H](NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C)c1cccs1	ZINC000481361525	650644899	/nfs/dbraw/zinc/64/48/99/650644899.db2.gz	YDGYWJUHEOOGLT-CYBMUJFWSA-N	0	1	384.435	2.466	20	5		GEBDMN
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2)c1C	ZINC000007323700	642337424	/nfs/dbraw/zinc/33/74/24/642337424.db2.gz	ZDELXYFKGRDASX-UHFFFAOYSA-N	0	1	384.435	2.416	20	5		GEBDMN
O=C(Nc1n[nH]c(-c2ccc(Br)cc2F)n1)c1n[nH]cc1[N+](=O)[O-]	ZINC000488176864	650741979	/nfs/dbraw/zinc/74/19/79/650741979.db2.gz	CIFMCJADOQKDJD-UHFFFAOYSA-N	0	1	396.136	2.257	20	5		GEBDMN
CS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000007727646	642344550	/nfs/dbraw/zinc/34/45/50/642344550.db2.gz	VPLMPZQPMNMUIF-UHFFFAOYSA-N	0	1	390.826	2.453	20	5		GEBDMN
C[C@H](O)CN1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1	ZINC000489888068	650765159	/nfs/dbraw/zinc/76/51/59/650765159.db2.gz	AOOLLAHZVODJCX-NSHDSACASA-N	0	1	395.257	2.408	20	5		GEBDMN
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1nc2ccc(Br)cc2[nH]1	ZINC000491079074	650783210	/nfs/dbraw/zinc/78/32/10/650783210.db2.gz	YJVCWAKNOYDMMY-UHFFFAOYSA-N	0	1	392.169	2.034	20	5		GEBDMN
COc1c(S(=O)(=O)Nc2cn[nH]c2)cc(Br)c(C)c1[N+](=O)[O-]	ZINC000493046501	650792976	/nfs/dbraw/zinc/79/29/76/650792976.db2.gz	DQPMRSKHLPHYIM-UHFFFAOYSA-N	0	1	391.203	2.198	20	5		GEBDMN
O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)c1n[nH]cc1[N+](=O)[O-]	ZINC000536534028	650805019	/nfs/dbraw/zinc/80/50/19/650805019.db2.gz	ZKGKMMGWFCNXIY-UHFFFAOYSA-N	0	1	378.698	2.227	20	5		GEBDMN
CNC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000497993647	650845070	/nfs/dbraw/zinc/84/50/70/650845070.db2.gz	ONBPPVNHVVNLEV-WPRPVWTQSA-N	0	1	396.252	2.095	20	5		GEBDMN
O=C(NCCCCN1CCOCC1)c1ccc([N+](=O)[O-])cc1Br	ZINC000118953414	643527556	/nfs/dbraw/zinc/52/75/56/643527556.db2.gz	UOJNPKRDQYCMIC-UHFFFAOYSA-N	0	1	386.246	2.200	20	5		GEBDMN
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Cc1n[nH]c(C2CC2)n1	ZINC000125202797	643703159	/nfs/dbraw/zinc/70/31/59/643703159.db2.gz	HMDZROMFXCYWCV-UHFFFAOYSA-N	0	1	387.215	2.327	20	5		GEBDMN
O=C(CCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])NC1CC1	ZINC000540214126	650859963	/nfs/dbraw/zinc/85/99/63/650859963.db2.gz	XKWCYZGZFQOBBF-UHFFFAOYSA-N	0	1	396.252	2.239	20	5		GEBDMN
C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)N(C)C1CC1	ZINC000170787968	644287053	/nfs/dbraw/zinc/28/70/53/644287053.db2.gz	FPZLGLXLHAHFES-SECBINFHSA-N	0	1	392.275	2.118	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)NCCNCc2cc(Cl)cs2)c1	ZINC000193061963	645237073	/nfs/dbraw/zinc/23/70/73/645237073.db2.gz	PRJNTKOZWVOWBO-UHFFFAOYSA-N	0	1	375.859	2.378	20	5		GEBDMN
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1[NH2+]CCc2ccccc21	ZINC000262309037	645625524	/nfs/dbraw/zinc/62/55/24/645625524.db2.gz	OUSZNDBOLLNWQE-AWEZNQCLSA-N	0	1	381.841	2.414	20	5		GEBDMN
Cn1c(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])nc2cc(Cl)ccc21	ZINC000547967446	651059314	/nfs/dbraw/zinc/05/93/14/651059314.db2.gz	JQFRNUPNRUUHPE-UHFFFAOYSA-N	0	1	381.801	2.008	20	5		GEBDMN
COc1cc(CN[C@@H](C)[C@H](CO)SC)c([N+](=O)[O-])cc1OCC(F)F	ZINC000272531086	646275931	/nfs/dbraw/zinc/27/59/31/646275931.db2.gz	ZPCOYMZAXUOUIP-XPTSAGLGSA-N	0	1	380.413	2.449	20	5		GEBDMN
Cc1c([C@@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cnn1C	ZINC000281069371	646742785	/nfs/dbraw/zinc/74/27/85/646742785.db2.gz	AGUUMTAZWJUXMF-SSDOTTSWSA-N	0	1	376.797	2.469	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)c1	ZINC000367217181	647724158	/nfs/dbraw/zinc/72/41/58/647724158.db2.gz	JVMPMNADWDTRGH-XPTSAGLGSA-N	0	1	394.808	2.004	20	5		GEBDMN
CN1CCO[C@@H]2CN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])C[C@@H]21	ZINC000408224348	647939206	/nfs/dbraw/zinc/93/92/06/647939206.db2.gz	GWUKMCYICQKABF-LSDHHAIUSA-N	0	1	393.241	2.425	20	5		GEBDMN
COC(=O)[C@@H](NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C)c1ccsc1	ZINC000416464203	648133640	/nfs/dbraw/zinc/13/36/40/648133640.db2.gz	GSHHQYXMLPWGCS-AWEZNQCLSA-N	0	1	384.435	2.466	20	5		GEBDMN
COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C(C)C)C(F)(F)F	ZINC000416640071	648198045	/nfs/dbraw/zinc/19/80/45/648198045.db2.gz	XVOYOFMYJMZSCM-NSHDSACASA-N	0	1	384.332	2.247	20	5		GEBDMN
CSC[C@H](CCO)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000443237726	648868369	/nfs/dbraw/zinc/86/83/69/648868369.db2.gz	JUCDXICSCCAHID-QMMMGPOBSA-N	0	1	389.282	2.294	20	5		GEBDMN
CCN(CC)CCS(=O)(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1	ZINC000562075179	651488310	/nfs/dbraw/zinc/48/83/10/651488310.db2.gz	VKJCWZMPDCNGNA-UHFFFAOYSA-N	0	1	383.392	2.375	20	5		GEBDMN
C[C@H]1CN(C)CCN1Cc1cc(I)cc([N+](=O)[O-])c1	ZINC000568817036	651681507	/nfs/dbraw/zinc/68/15/07/651681507.db2.gz	YVYRODJGEMEKRS-JTQLQIEISA-N	0	1	375.210	2.335	20	5		GEBDMN
C[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Br)cn1	ZINC000575672801	652073187	/nfs/dbraw/zinc/07/31/87/652073187.db2.gz	CLVIDLZZYVYASC-QMMMGPOBSA-N	0	1	387.215	2.187	20	5		GEBDMN
C[C@H]1CC[N@@H+](CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1	ZINC000582349256	652446761	/nfs/dbraw/zinc/44/67/61/652446761.db2.gz	WCZOAXPHAULROC-JTQLQIEISA-N	0	1	381.376	2.234	20	5		GEBDMN
C[C@H]1CCN(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1	ZINC000582349256	652446762	/nfs/dbraw/zinc/44/67/62/652446762.db2.gz	WCZOAXPHAULROC-JTQLQIEISA-N	0	1	381.376	2.234	20	5		GEBDMN
O=[N+]([O-])c1cc(I)cc(CN[C@@H](CO)CC(F)F)c1	ZINC000583841878	652499083	/nfs/dbraw/zinc/49/90/83/652499083.db2.gz	PYBWGZGDZUVDPN-SECBINFHSA-N	0	1	386.136	2.305	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@H](O)c1ccccn1	ZINC000758517475	652545165	/nfs/dbraw/zinc/54/51/65/652545165.db2.gz	OQHFPFCKZUDHDN-LBPRGKRZSA-N	0	1	392.220	2.309	20	5		GEBDMN
CCn1cc(S(=O)(=O)Nc2nc(C)ccc2Br)c([N+](=O)[O-])n1	ZINC000594729706	652678462	/nfs/dbraw/zinc/67/84/62/652678462.db2.gz	URUGWUZQRXEZBJ-UHFFFAOYSA-N	0	1	390.219	2.078	20	5		GEBDMN
CO[C@@H]1CS(=O)(=O)C[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1	ZINC000594965336	652698347	/nfs/dbraw/zinc/69/83/47/652698347.db2.gz	FDGKQVLSPUUJFZ-HUUCEWRRSA-N	0	1	382.463	2.225	20	5		GEBDMN
CO[C@@H](CS(=O)(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C1CCOCC1	ZINC000596020732	652747836	/nfs/dbraw/zinc/74/78/36/652747836.db2.gz	JNDUBJQAXQWEII-ZDUSSCGKSA-N	0	1	393.849	2.014	20	5		GEBDMN
O=C(NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1n[nH]cc1[N+](=O)[O-]	ZINC000764074201	652784342	/nfs/dbraw/zinc/78/43/42/652784342.db2.gz	FQSCQWNSUVVLKP-GFCCVEGCSA-N	0	1	378.694	2.151	20	5		GEBDMN
CN1CC[C@H](N2CCC(Nc3ccc([N+](=O)[O-])cc3Br)CC2)C1=O	ZINC000601177231	653082467	/nfs/dbraw/zinc/08/24/67/653082467.db2.gz	RKPQMRQSCHGWLA-HNNXBMFYSA-N	0	1	397.273	2.464	20	5		GEBDMN
Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1	ZINC000602055372	653143216	/nfs/dbraw/zinc/14/32/16/653143216.db2.gz	ZUKMRBSJVXSCAW-UHFFFAOYSA-N	0	1	384.435	2.416	20	5		GEBDMN
CCOC(=O)[C@H](CC1CC1)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000809823838	653302195	/nfs/dbraw/zinc/30/21/95/653302195.db2.gz	GEPAZISWFFUJLD-NSHDSACASA-N	0	1	394.808	2.397	20	5		GEBDMN
COC(=O)C1=CC[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1	ZINC000859286122	653433089	/nfs/dbraw/zinc/43/30/89/653433089.db2.gz	AJHHGYQYZIDKRJ-SECBINFHSA-N	0	1	395.220	2.442	20	5		GEBDMN
COC(=O)C1=CC[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1	ZINC000859286123	653433304	/nfs/dbraw/zinc/43/33/04/653433304.db2.gz	AJHHGYQYZIDKRJ-VIFPVBQESA-N	0	1	395.220	2.442	20	5		GEBDMN
O=C(NCc1ccc(I)c(Cl)c1)[C@@H]1CC1[N+](=O)[O-]	ZINC000839758763	653662902	/nfs/dbraw/zinc/66/29/02/653662902.db2.gz	YRPZVHQQLLCXHH-GMSGAONNSA-N	0	1	380.569	2.226	20	5		GEBDMN
Cc1nc(CN2CCN(c3cc(Br)ccc3[N+](=O)[O-])CC2)n[nH]1	ZINC000784165234	653689890	/nfs/dbraw/zinc/68/98/90/653689890.db2.gz	MOVFNZVBZLUPCY-UHFFFAOYSA-N	0	1	381.234	2.106	20	5		GEBDMN
CCc1cnc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)o1	ZINC000784706343	653698501	/nfs/dbraw/zinc/69/85/01/653698501.db2.gz	BAACVILANZCJDB-UHFFFAOYSA-N	0	1	390.215	2.386	20	5		GEBDMN
CC[C@H]1CN(C)CCN1C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000818978077	653739992	/nfs/dbraw/zinc/73/99/92/653739992.db2.gz	QHZKVKFRHNDPBI-ZDUSSCGKSA-N	0	1	399.289	2.346	20	5		GEBDMN
CCn1nc(C)c(CNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)n1	ZINC000819891371	653760273	/nfs/dbraw/zinc/76/02/73/653760273.db2.gz	VMDFXOYRVOGYER-UHFFFAOYSA-N	0	1	394.240	2.300	20	5		GEBDMN
C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1	ZINC000842699322	653763602	/nfs/dbraw/zinc/76/36/02/653763602.db2.gz	KULXWPARDPOXIL-UWVGGRQHSA-N	0	1	392.275	2.024	20	5		GEBDMN
O=C(NCC1CN(c2cccc(Br)c2[N+](=O)[O-])C1)C(F)(F)F	ZINC000866293857	653790410	/nfs/dbraw/zinc/79/04/10/653790410.db2.gz	FNAQEMRWYLEVJG-UHFFFAOYSA-N	0	1	382.136	2.472	20	5		GEBDMN
CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000867349584	653919897	/nfs/dbraw/zinc/91/98/97/653919897.db2.gz	UDTPQUUANKBALL-UHFFFAOYSA-N	0	1	379.841	2.492	20	5		GEBDMN
Cn1c(Cl)cnc1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000795822854	653968373	/nfs/dbraw/zinc/96/83/73/653968373.db2.gz	KRHUDZHZKOVWFK-UHFFFAOYSA-N	0	1	383.188	2.253	20	5		GEBDMN
COC(=O)C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C1CC1	ZINC000795879672	653974436	/nfs/dbraw/zinc/97/44/36/653974436.db2.gz	GALKCEXUYCJLKA-JTQLQIEISA-N	0	1	380.781	2.007	20	5		GEBDMN
CC(C)c1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ncc2Br)n[nH]1	ZINC000827526652	653996217	/nfs/dbraw/zinc/99/62/17/653996217.db2.gz	RXKRSFUFDNWVED-ZETCQYMHSA-N	0	1	383.206	2.485	20	5		GEBDMN
Cc1cc(CNCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)n1	ZINC000797598548	654037121	/nfs/dbraw/zinc/03/71/21/654037121.db2.gz	RYWCUCJMGRZLNK-UHFFFAOYSA-N	0	1	384.845	2.020	20	5		GEBDMN
C[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1CN(C)CCN1C	ZINC000900810946	654082125	/nfs/dbraw/zinc/08/21/25/654082125.db2.gz	IVBYFZVIOZQWLF-ZANVPECISA-N	0	1	375.256	2.266	20	5		GEBDMN
O=C1COc2cc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc2N1	ZINC000917756680	654134184	/nfs/dbraw/zinc/13/41/84/654134184.db2.gz	CHCBEXXJGQZUMQ-UHFFFAOYSA-N	0	1	383.769	2.380	20	5		GEBDMN
CSc1ccc([N+](=O)[O-])c(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)c1	ZINC000831158224	654167945	/nfs/dbraw/zinc/16/79/45/654167945.db2.gz	HZCDRPAUWPQZBH-UHFFFAOYSA-N	0	1	377.344	2.067	20	5		GEBDMN
C[C@@H](Cc1cnn(C)c1)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000832462269	654268154	/nfs/dbraw/zinc/26/81/54/654268154.db2.gz	CMOBGQYAYURPEZ-QMMMGPOBSA-N	0	1	376.797	2.030	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)c1	ZINC000921606425	654291856	/nfs/dbraw/zinc/29/18/56/654291856.db2.gz	BCQNASJMQVWLAX-NGZCFLSTSA-N	0	1	376.793	2.257	20	5		GEBDMN
O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1ccc(Br)cn1	ZINC000872233631	654318641	/nfs/dbraw/zinc/31/86/41/654318641.db2.gz	DJTAZUQZLOVHFQ-CYBMUJFWSA-N	0	1	382.214	2.282	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC000907765645	654576314	/nfs/dbraw/zinc/57/63/14/654576314.db2.gz	AIQLNHXKJMSPRI-ZZFAZENKSA-N	0	1	379.221	2.356	20	5		GEBDMN
O=C([C@@H]1CC1[N+](=O)[O-])N1CCc2[nH]cnc2[C@H]1c1ccc(Br)cc1	ZINC000911253591	654720691	/nfs/dbraw/zinc/72/06/91/654720691.db2.gz	FABPBAHWFZZBQV-UXIGCNINSA-N	0	1	391.225	2.312	20	5		GEBDMN
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCc2nc[nH]c2[C@H]1c1ccc(Br)cc1	ZINC000911253591	654720694	/nfs/dbraw/zinc/72/06/94/654720694.db2.gz	FABPBAHWFZZBQV-UXIGCNINSA-N	0	1	391.225	2.312	20	5		GEBDMN
CN1CCO[C@@H]2CN(c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn3)C[C@@H]21	ZINC001164669925	719469170	/nfs/dbraw/zinc/46/91/70/719469170.db2.gz	VXZSLQPCXNKCCF-JKSUJKDBSA-N	0	1	375.816	2.224	20	5		GEBDMN
Cc1cc(Cl)nc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1[N+](=O)[O-]	ZINC001164737081	720665675	/nfs/dbraw/zinc/66/56/75/720665675.db2.gz	CXXISUSRNQJIMZ-STQMWFEESA-N	0	1	390.831	2.084	20	5		GEBDMN
O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)c1n[nH]cc1[N+](=O)[O-]	ZINC000133938544	532245556	/nfs/dbraw/zinc/24/55/56/532245556.db2.gz	CPRHJLJRKUALHP-SNVBAGLBSA-N	0	1	380.202	2.089	20	5		GEBDMN
O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)c1n[nH]cc1[N+](=O)[O-]	ZINC000179575635	532236633	/nfs/dbraw/zinc/23/66/33/532236633.db2.gz	YENMVCUDTAUTPO-SNVBAGLBSA-N	0	1	394.229	2.337	20	5		GEBDMN
O=C(CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CCC(F)(F)CC1	ZINC000425194080	532369987	/nfs/dbraw/zinc/36/99/87/532369987.db2.gz	MUUVAORAKCMAQT-UHFFFAOYSA-N	0	1	380.344	2.407	20	5		GEBDMN
C[C@@H]1CN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C[C@@H](C)N1	ZINC000591681104	532419664	/nfs/dbraw/zinc/41/96/64/532419664.db2.gz	GOVYUOIGUQDKNW-RKDXNWHRSA-N	0	1	389.193	2.022	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCCC[C@H]2c2nnc[nH]2)c1	ZINC000296309667	532513633	/nfs/dbraw/zinc/51/36/33/532513633.db2.gz	SNYRASPRFOXBOM-JTQLQIEISA-N	0	1	389.796	2.421	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CC[C@@H](N3CCCC3)C2)c1	ZINC000377133323	532645369	/nfs/dbraw/zinc/64/53/69/532645369.db2.gz	ZUPDSESHZCZSIL-SNVBAGLBSA-N	0	1	377.825	2.246	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnccc2-n2ccnn2)c(Cl)c1	ZINC000377563701	532660355	/nfs/dbraw/zinc/66/03/55/532660355.db2.gz	MBPWHBZYDPPCHK-UHFFFAOYSA-N	0	1	380.773	2.025	20	5		GEBDMN
Cc1nnc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)o1	ZINC000533465504	532663684	/nfs/dbraw/zinc/66/36/84/532663684.db2.gz	LTXKVSINYOWXQE-ZCFIWIBFSA-N	0	1	380.304	2.345	20	5		GEBDMN
O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@H](O)CS(=O)(=O)c1cccs1	ZINC000567366778	532652474	/nfs/dbraw/zinc/65/24/74/532652474.db2.gz	JXBWQRHCGPRPJP-RISCZKNCSA-N	0	1	382.463	2.068	20	5		GEBDMN
COC(=O)c1cc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cn1C	ZINC000439582204	532697447	/nfs/dbraw/zinc/69/74/47/532697447.db2.gz	RRMYKRVUEJEXLF-UHFFFAOYSA-N	0	1	387.801	2.483	20	5		GEBDMN
C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000286127154	532730256	/nfs/dbraw/zinc/73/02/56/532730256.db2.gz	WDHHYRLXQBXSAB-SKDRFNHKSA-N	0	1	379.841	2.348	20	5		GEBDMN
CS(=O)(=O)Cc1cc(F)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000442301147	532730412	/nfs/dbraw/zinc/73/04/12/532730412.db2.gz	FSTAQWPKFAQYRJ-UHFFFAOYSA-N	0	1	388.398	2.079	20	5		GEBDMN
Cc1nc([C@H](C)Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])n[nH]1	ZINC000286407774	532745485	/nfs/dbraw/zinc/74/54/85/532745485.db2.gz	NRFGOAUNOCNZSX-LURJTMIESA-N	0	1	379.320	2.488	20	5		GEBDMN
CCn1cc(S(=O)(=O)Nc2ccc(OC(F)F)cc2F)c([N+](=O)[O-])n1	ZINC000509376044	532767757	/nfs/dbraw/zinc/76/77/57/532767757.db2.gz	MYEGUGSXZWYVET-UHFFFAOYSA-N	0	1	380.304	2.353	20	5		GEBDMN
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1ccnc(OC(F)F)c1	ZINC000556358664	532810374	/nfs/dbraw/zinc/81/03/74/532810374.db2.gz	MPXQRBLHJXPOBQ-UHFFFAOYSA-N	0	1	377.300	2.209	20	5		GEBDMN
CCc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)n(C)n1	ZINC000270470731	532798709	/nfs/dbraw/zinc/79/87/09/532798709.db2.gz	GMMCYVXWEIIDAP-UHFFFAOYSA-N	0	1	389.231	2.454	20	5		GEBDMN
CCN1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000414369097	532823097	/nfs/dbraw/zinc/82/30/97/532823097.db2.gz	HZYIPFWLDHCZKU-UHFFFAOYSA-N	0	1	381.376	2.376	20	5		GEBDMN
CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1C[C@H]1c1nc[nH]n1)c1ccccc1[N+](=O)[O-]	ZINC000359898286	212123759	/nfs/dbraw/zinc/12/37/59/212123759.db2.gz	MUFBBFLWAYFZKA-MCIONIFRSA-N	0	1	387.396	2.016	20	5		GEBDMN
CC1(CNCc2cc(I)cc([N+](=O)[O-])c2)OCCO1	ZINC000289524247	532857603	/nfs/dbraw/zinc/85/76/03/532857603.db2.gz	NZPWEZBOAAMNPF-UHFFFAOYSA-N	0	1	378.166	2.052	20	5		GEBDMN
Cc1nc(C(C)(C)NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)no1	ZINC000289645644	532861644	/nfs/dbraw/zinc/86/16/44/532861644.db2.gz	ZTXKDMHTRDGWQG-UHFFFAOYSA-N	0	1	378.769	2.292	20	5		GEBDMN
Cc1nn(C)cc1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000416458615	532878012	/nfs/dbraw/zinc/87/80/12/532878012.db2.gz	QQBUTBKZXJZUID-UHFFFAOYSA-N	0	1	379.225	2.422	20	5		GEBDMN
CCCc1[nH]nc(C(=O)N(C)CCn2cc(Br)cn2)c1[N+](=O)[O-]	ZINC000291239541	532898935	/nfs/dbraw/zinc/89/89/35/532898935.db2.gz	OEJGVNKGRWHYPI-UHFFFAOYSA-N	0	1	385.222	2.002	20	5		GEBDMN
O=C(CN1CCN([C@H]2CCSC2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000365890105	532912902	/nfs/dbraw/zinc/91/29/02/532912902.db2.gz	HMBSFAPFFCOIPZ-ZDUSSCGKSA-N	0	1	384.889	2.310	20	5		GEBDMN
O=c1c(-c2nn[nH]n2)cn(CCOc2cccc([N+](=O)[O-])c2)c2ccccc12	ZINC000738371935	598504776	/nfs/dbraw/zinc/50/47/76/598504776.db2.gz	LXHHMOFIINUEMA-UHFFFAOYSA-N	0	1	378.348	2.169	20	5		GEBDMN
COc1cccc([C@@H](CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)[NH+](C)C)c1	ZINC000826214243	607448888	/nfs/dbraw/zinc/44/88/88/607448888.db2.gz	FXKAJKIJEZNEGJ-QGZVFWFLSA-N	0	1	383.412	2.498	20	5		GEBDMN
COc1cccc([C@@H](CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)[NH+](C)C)c1	ZINC000826214243	607448889	/nfs/dbraw/zinc/44/88/89/607448889.db2.gz	FXKAJKIJEZNEGJ-QGZVFWFLSA-N	0	1	383.412	2.498	20	5		GEBDMN
CC[C@H](C)[C@@H](NC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C(=O)[O-]	ZINC000828716916	600849204	/nfs/dbraw/zinc/84/92/04/600849204.db2.gz	HUMAFQOUXSVLFU-SCLBCKFNSA-N	0	1	393.440	2.054	20	5		GEBDMN
CC[N@H+]1CCCC[C@@H]1CNc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000829771395	601444608	/nfs/dbraw/zinc/44/46/08/601444608.db2.gz	VYMXEQJPVJJCST-GXTWGEPZSA-N	0	1	378.429	2.084	20	5		GEBDMN
O=[N+]([O-])c1ccccc1CN(C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)C1CC1	ZINC000826500234	607524811	/nfs/dbraw/zinc/52/48/11/607524811.db2.gz	PKICYYFLKZIFJO-SFHVURJKSA-N	0	1	380.408	2.473	20	5		GEBDMN
Nc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-]	ZINC000833090305	601778138	/nfs/dbraw/zinc/77/81/38/601778138.db2.gz	HTBBJLMTVHJHPH-FQEVSTJZSA-N	0	1	398.419	2.026	20	5		GEBDMN
CC[C@@H]1C[N@@H+](CCn2cccn2)CCN1c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000829149481	602317295	/nfs/dbraw/zinc/31/72/95/602317295.db2.gz	HXTBDMIFRDGIMQ-OAHLLOKOSA-N	0	1	387.440	2.399	20	5		GEBDMN
Cc1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)cc1C	ZINC000826292691	607573937	/nfs/dbraw/zinc/57/39/37/607573937.db2.gz	HROGQPUXSUYMIG-UHFFFAOYSA-N	0	1	375.366	2.159	20	5		GEBDMN
CCC(CC)N(C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000825107947	607592007	/nfs/dbraw/zinc/59/20/07/607592007.db2.gz	SNHLMSVPSMQZCX-UHFFFAOYSA-N	0	1	380.430	2.117	20	5		GEBDMN
CCCC[C@@H]1CCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000825266695	607606431	/nfs/dbraw/zinc/60/64/31/607606431.db2.gz	GMLLUVKRZXHXLH-VXGBXAGGSA-N	0	1	394.457	2.412	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)c1-c1nn[nH]n1	ZINC000826500258	607650463	/nfs/dbraw/zinc/65/04/63/607650463.db2.gz	QIPLCNDRRHYVGJ-GRYCIOLGSA-N	0	1	392.441	2.022	20	5		GEBDMN
CC(C)[C@H](CC[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)NC(=O)[O-]	ZINC000824098495	603848523	/nfs/dbraw/zinc/84/85/23/603848523.db2.gz	JQOGGIFSMSUUMV-HNNXBMFYSA-N	0	1	378.429	2.098	20	5		GEBDMN
CC(C)[C@H](CC[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)NC(=O)[O-]	ZINC000824098495	603848525	/nfs/dbraw/zinc/84/85/25/603848525.db2.gz	JQOGGIFSMSUUMV-HNNXBMFYSA-N	0	1	378.429	2.098	20	5		GEBDMN
CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1	ZINC000833417022	604857264	/nfs/dbraw/zinc/85/72/64/604857264.db2.gz	KFFMUKROBDJLPW-IUODEOHRSA-N	0	1	389.408	2.050	20	5		GEBDMN
CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1	ZINC000833420881	604929263	/nfs/dbraw/zinc/92/92/63/604929263.db2.gz	BEDCXSJWGVQJEP-LLVKDONJSA-N	0	1	393.396	2.085	20	5		GEBDMN
CC(C)C[N@H+]1CCC[C@@H]1CNc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000833488703	605062965	/nfs/dbraw/zinc/06/29/65/605062965.db2.gz	UHDCJDVUJWENNQ-DZGCQCFKSA-N	0	1	392.456	2.330	20	5		GEBDMN
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](CCC(=O)[O-])[C@H](C)C1	ZINC000833545215	605250396	/nfs/dbraw/zinc/25/03/96/605250396.db2.gz	FOXQMQVARJFOTC-OLZOCXBDSA-N	0	1	381.454	2.083	20	5		GEBDMN
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](CCC(=O)[O-])[C@H](C)C1	ZINC000833545215	605250400	/nfs/dbraw/zinc/25/04/00/605250400.db2.gz	FOXQMQVARJFOTC-OLZOCXBDSA-N	0	1	381.454	2.083	20	5		GEBDMN
C[C@H]1C[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1	ZINC000820667427	606719340	/nfs/dbraw/zinc/71/93/40/606719340.db2.gz	MFQXYXWCUXYODM-GXTWGEPZSA-N	0	1	380.412	2.245	20	5		GEBDMN
C[C@H]1C[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[N@H+]1Cc1ccccc1	ZINC000820667427	606719341	/nfs/dbraw/zinc/71/93/41/606719341.db2.gz	MFQXYXWCUXYODM-GXTWGEPZSA-N	0	1	380.412	2.245	20	5		GEBDMN
C[C@H]1C[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1	ZINC000820667427	606719342	/nfs/dbraw/zinc/71/93/42/606719342.db2.gz	MFQXYXWCUXYODM-GXTWGEPZSA-N	0	1	380.412	2.245	20	5		GEBDMN
C[C@H]1C[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[N@H+]1Cc1ccccc1	ZINC000820667427	606719344	/nfs/dbraw/zinc/71/93/44/606719344.db2.gz	MFQXYXWCUXYODM-GXTWGEPZSA-N	0	1	380.412	2.245	20	5		GEBDMN
CC[C@H](C)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000820860252	606734345	/nfs/dbraw/zinc/73/43/45/606734345.db2.gz	IOHLACPZSBWPEE-NWDGAFQWSA-N	0	1	394.457	2.364	20	5		GEBDMN
CCN(c1ccc(C)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000821230381	607154751	/nfs/dbraw/zinc/15/47/51/607154751.db2.gz	JFPBPGHHNDUKNR-UHFFFAOYSA-N	0	1	388.409	2.299	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C)c1ccc(-c2nn[nH]n2)cc1	ZINC000826293092	608464457	/nfs/dbraw/zinc/46/44/57/608464457.db2.gz	AOXHTXMYCNNMEU-GFCCVEGCSA-N	0	1	381.396	2.373	20	5		GEBDMN
COc1cc(CNCCn2cc(Br)ccc2=O)c([N+](=O)[O-])cc1O	ZINC000449373458	650039196	/nfs/dbraw/zinc/03/91/96/650039196.db2.gz	BYKGNDHBOPNJDO-UHFFFAOYSA-N	0	1	398.213	2.023	20	5		GEBDMN
CC(C)N1CC[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1=O	ZINC000462137672	650470513	/nfs/dbraw/zinc/47/05/13/650470513.db2.gz	VFRGYVWZVGYLSQ-JTQLQIEISA-N	0	1	396.252	2.189	20	5		GEBDMN
COc1cc(S(=O)(=O)Nc2cccc(C[S@@](C)=O)c2)ccc1[N+](=O)[O-]	ZINC000468929863	650508564	/nfs/dbraw/zinc/50/85/64/650508564.db2.gz	JVRSJSYUDYVAMY-XMMPIXPASA-N	0	1	384.435	2.283	20	5		GEBDMN
CN1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1(C)C	ZINC000514612098	650575089	/nfs/dbraw/zinc/57/50/89/650575089.db2.gz	JOIJZLZYFVDVLV-UHFFFAOYSA-N	0	1	385.262	2.322	20	5		GEBDMN
CCOC(=O)C[C@](C)(NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(C)C	ZINC000478760972	650591832	/nfs/dbraw/zinc/59/18/32/650591832.db2.gz	CYPRAKQTCHEZFP-HNNXBMFYSA-N	0	1	376.406	2.380	20	5		GEBDMN
CN1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2I)C1	ZINC000040452333	642524185	/nfs/dbraw/zinc/52/41/85/642524185.db2.gz	KNFUMVOGEBTECC-SECBINFHSA-N	0	1	389.193	2.023	20	5		GEBDMN
Cc1nc([C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2)n[nH]1	ZINC000104741457	643190262	/nfs/dbraw/zinc/19/02/62/643190262.db2.gz	PWLOZFWJYDDMMO-ZDUSSCGKSA-N	0	1	379.423	2.151	20	5		GEBDMN
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCOc1ccc(F)cc1F	ZINC000106889652	643243090	/nfs/dbraw/zinc/24/30/90/643243090.db2.gz	KTDSVTSVJSGKHR-UHFFFAOYSA-N	0	1	376.312	2.369	20	5		GEBDMN
C[NH+](C)CCOc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1	ZINC000119603381	643560204	/nfs/dbraw/zinc/56/02/04/643560204.db2.gz	WXNAFCDTIAUCQK-UHFFFAOYSA-N	0	1	385.467	2.075	20	5		GEBDMN
CCNC(=O)C(C)(C)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000120441981	643607867	/nfs/dbraw/zinc/60/78/67/643607867.db2.gz	FLHQSEZIVRRNNH-UHFFFAOYSA-N	0	1	398.268	2.342	20	5		GEBDMN
CC(C)N(CCN(C)C)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000123462070	643671738	/nfs/dbraw/zinc/67/17/38/643671738.db2.gz	QJKBUVLOKQMYIX-UHFFFAOYSA-N	0	1	394.291	2.318	20	5		GEBDMN
COc1cc(Br)c(CNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1OC	ZINC000131250873	643868295	/nfs/dbraw/zinc/86/82/95/643868295.db2.gz	GUTRDDNQTYYYFX-UHFFFAOYSA-N	0	1	385.174	2.028	20	5		GEBDMN
COc1cc(CN[C@@H](C)C[S@](C)=O)c([N+](=O)[O-])cc1OCC(F)(F)F	ZINC000184257084	645013933	/nfs/dbraw/zinc/01/39/33/645013933.db2.gz	BBCQZLYGNYOXST-USOBGDSLSA-N	0	1	384.376	2.401	20	5		GEBDMN
Cn1nc(-c2cccs2)nc1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000193725555	645294361	/nfs/dbraw/zinc/29/43/61/645294361.db2.gz	LLZGLZOZLCVYTE-UHFFFAOYSA-N	0	1	379.423	2.394	20	5		GEBDMN
Cc1c(Br)cc(C(=O)N2CCO[C@H]3CCN(C)C[C@@H]32)cc1[N+](=O)[O-]	ZINC000285989842	646863806	/nfs/dbraw/zinc/86/38/06/646863806.db2.gz	YHTFPYTZQFRPRU-GJZGRUSLSA-N	0	1	398.257	2.211	20	5		GEBDMN
CC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)[C@H](O)C(F)F	ZINC000295673999	647236197	/nfs/dbraw/zinc/23/61/97/647236197.db2.gz	HIBHBVBTBJNFQE-XCBNKYQSSA-N	0	1	376.740	2.070	20	5		GEBDMN
O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@H](c2n[nH]c(=O)o2)C1	ZINC000332292471	647429890	/nfs/dbraw/zinc/42/98/90/647429890.db2.gz	JMXYFUPPBWMCEY-QMMMGPOBSA-N	0	1	397.185	2.466	20	5		GEBDMN
Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H](c3nc[nH]n3)C2)cc1[N+](=O)[O-]	ZINC000371133046	647786917	/nfs/dbraw/zinc/78/69/17/647786917.db2.gz	IMEGFGZIHXWSHX-SNVBAGLBSA-N	0	1	385.833	2.243	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCC[C@@H](c3nc[nH]n3)C2)cc1Cl	ZINC000377858171	647870015	/nfs/dbraw/zinc/87/00/15/647870015.db2.gz	WKPXPPWGHLQRCJ-MRVPVSSYSA-N	0	1	389.796	2.074	20	5		GEBDMN
CN1CC=C(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000416460917	648131930	/nfs/dbraw/zinc/13/19/30/648131930.db2.gz	WUHXZZYLJDBAAH-UHFFFAOYSA-N	0	1	379.360	2.154	20	5		GEBDMN
CN(CCN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1	ZINC000416463576	648133117	/nfs/dbraw/zinc/13/31/17/648133117.db2.gz	CXTGACUJXJRQHM-UHFFFAOYSA-N	0	1	381.376	2.328	20	5		GEBDMN
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H](CO)c1c(F)cccc1F	ZINC000443276051	648870963	/nfs/dbraw/zinc/87/09/63/648870963.db2.gz	XGKGPQIHCZIUGL-NSHDSACASA-N	0	1	376.312	2.024	20	5		GEBDMN
Cc1cc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n2ncnc2n1	ZINC000558597266	651282983	/nfs/dbraw/zinc/28/29/83/651282983.db2.gz	RTBMVDYPHVKPDC-UHFFFAOYSA-N	0	1	382.789	2.104	20	5		GEBDMN
O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC(c2nc[nH]n2)CC1	ZINC000610580017	651672030	/nfs/dbraw/zinc/67/20/30/651672030.db2.gz	OTOWVMVHZWBHPQ-UHFFFAOYSA-N	0	1	380.202	2.495	20	5		GEBDMN
C[C@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCN1C	ZINC000742308940	651978001	/nfs/dbraw/zinc/97/80/01/651978001.db2.gz	MNUBXNDIPXVMAX-VHSXEESVSA-N	0	1	392.275	2.118	20	5		GEBDMN
C[C@@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCN1C	ZINC000742308938	651978250	/nfs/dbraw/zinc/97/82/50/651978250.db2.gz	MNUBXNDIPXVMAX-NXEZZACHSA-N	0	1	392.275	2.118	20	5		GEBDMN
C[C@@H]1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCN1C	ZINC000742309058	651978276	/nfs/dbraw/zinc/97/82/76/651978276.db2.gz	KHXKXOVNRPQLEP-ZJUUUORDSA-N	0	1	392.275	2.118	20	5		GEBDMN
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@H](CO)c1ccc(Cl)cc1	ZINC000588144257	652549187	/nfs/dbraw/zinc/54/91/87/652549187.db2.gz	BQOMYZOUZLETBW-LLVKDONJSA-N	0	1	388.804	2.442	20	5		GEBDMN
CC(C)[C@H]1CNCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000599098781	652849173	/nfs/dbraw/zinc/84/91/73/652849173.db2.gz	AVGXYJUQCJYBFM-GFCCVEGCSA-N	0	1	381.376	2.232	20	5		GEBDMN
O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC(c2nc[nH]n2)CC1	ZINC000599660016	652882454	/nfs/dbraw/zinc/88/24/54/652882454.db2.gz	QSBVVHFVFHTUKS-UHFFFAOYSA-N	0	1	380.202	2.495	20	5		GEBDMN
CS(=O)(=O)Cc1cc(F)ccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1	ZINC000768887221	653136074	/nfs/dbraw/zinc/13/60/74/653136074.db2.gz	GPYLFFHBJRARGE-UHFFFAOYSA-N	0	1	394.427	2.141	20	5		GEBDMN
CCc1nn(C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000773256762	653189956	/nfs/dbraw/zinc/18/99/56/653189956.db2.gz	RVWQTRWOFNKAHK-UHFFFAOYSA-N	0	1	389.231	2.454	20	5		GEBDMN
CN(C)C(=O)[C@@H]1CC[C@H](CNCc2cc(Br)c([N+](=O)[O-])s2)O1	ZINC000602584145	653192123	/nfs/dbraw/zinc/19/21/23/653192123.db2.gz	WUKXQVUDJYMARF-KCJUWKMLSA-N	0	1	392.275	2.144	20	5		GEBDMN
COCCO[C@H]1COCC[C@H]1NCc1cc(Br)c([N+](=O)[O-])s1	ZINC000602621284	653195174	/nfs/dbraw/zinc/19/51/74/653195174.db2.gz	CPVAHKFPYWJBSP-NEPJUHHUSA-N	0	1	395.275	2.329	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Cl	ZINC000809808690	653297363	/nfs/dbraw/zinc/29/73/63/653297363.db2.gz	DQAPEXVLSDZKBH-RYUDHWBXSA-N	0	1	377.825	2.292	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1Cl	ZINC000809808690	653297371	/nfs/dbraw/zinc/29/73/71/653297371.db2.gz	DQAPEXVLSDZKBH-RYUDHWBXSA-N	0	1	377.825	2.292	20	5		GEBDMN
O=[N+]([O-])c1cc(S(=O)(=O)N[C@H](CO)CC(F)(F)F)c(Cl)cc1Cl	ZINC000809827795	653303704	/nfs/dbraw/zinc/30/37/04/653303704.db2.gz	DYGVHLJZKIJTNS-YFKPBYRVSA-N	0	1	397.158	2.493	20	5		GEBDMN
CC[C@@H](NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@H](O)C(F)(F)F	ZINC000809829844	653304968	/nfs/dbraw/zinc/30/49/68/653304968.db2.gz	HQKUKRXHIWZIJX-XCBNKYQSSA-N	0	1	394.730	2.367	20	5		GEBDMN
CCCCCC[N@@H+](C)CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000778685126	653453734	/nfs/dbraw/zinc/45/37/34/653453734.db2.gz	DPPVOBVZQOGWLZ-UHFFFAOYSA-N	0	1	375.422	2.051	20	5		GEBDMN
C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)N1CCCC1	ZINC000780704699	653630957	/nfs/dbraw/zinc/63/09/57/653630957.db2.gz	QZQOUWLNBBPQPO-SNVBAGLBSA-N	0	1	392.275	2.120	20	5		GEBDMN
C[C@H](CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)N1CCCC1	ZINC000780703964	653631090	/nfs/dbraw/zinc/63/10/90/653631090.db2.gz	ITSIHOISIMVILW-SNVBAGLBSA-N	0	1	392.275	2.120	20	5		GEBDMN
C[C@@H]1CCCN1CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000780865727	653633807	/nfs/dbraw/zinc/63/38/07/653633807.db2.gz	CCSIDDZLFLUSJJ-SNVBAGLBSA-N	0	1	392.275	2.120	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CC[C@H](N2CCCC2)C1	ZINC000815009727	653642970	/nfs/dbraw/zinc/64/29/70/653642970.db2.gz	BOSRFPHPLMNOBF-JTQLQIEISA-N	0	1	377.825	2.246	20	5		GEBDMN
C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCN1C	ZINC000815018573	653643943	/nfs/dbraw/zinc/64/39/43/653643943.db2.gz	UGHXGZUQQSFILI-NXEZZACHSA-N	0	1	379.841	2.491	20	5		GEBDMN
CCO[C@H](CC[NH+](C)C)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815024024	653645138	/nfs/dbraw/zinc/64/51/38/653645138.db2.gz	PFWVMOHWWRYZGP-SNVBAGLBSA-N	0	1	397.856	2.022	20	5		GEBDMN
CN1CCC[C@@]2(CCN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])C2)C1	ZINC000815065972	653649215	/nfs/dbraw/zinc/64/92/15/653649215.db2.gz	UHKYRNSORCJQNX-OAHLLOKOSA-N	0	1	391.852	2.494	20	5		GEBDMN
CN1CCC[C@]2(CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)C2)C1	ZINC000815064888	653649236	/nfs/dbraw/zinc/64/92/36/653649236.db2.gz	KKHVPEPMAALACR-HNNXBMFYSA-N	0	1	391.852	2.494	20	5		GEBDMN
COC(=O)[C@@H]1CN(C)CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1	ZINC000839631230	653658507	/nfs/dbraw/zinc/65/85/07/653658507.db2.gz	WFAWWGCZKPBDRB-LLVKDONJSA-N	0	1	376.240	2.438	20	5		GEBDMN
O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[C@H](c2nc[nH]n2)C1	ZINC000819723963	653756456	/nfs/dbraw/zinc/75/64/56/653756456.db2.gz	HSSHFVOAEIPJPE-ZETCQYMHSA-N	0	1	384.165	2.244	20	5		GEBDMN
CC1(C)C[NH2+]CC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000842482628	653758007	/nfs/dbraw/zinc/75/80/07/653758007.db2.gz	CWVNRZRQWSPFAL-GFCCVEGCSA-N	0	1	392.275	2.024	20	5		GEBDMN
O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC[C@@H](c2n[nH]c(=O)o2)C1	ZINC000819970644	653763931	/nfs/dbraw/zinc/76/39/31/653763931.db2.gz	ONLWJUMIJPENKZ-MRVPVSSYSA-N	0	1	397.185	2.466	20	5		GEBDMN
C[C@@]1(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCC[NH2+]C1	ZINC000842827326	653770046	/nfs/dbraw/zinc/77/00/46/653770046.db2.gz	SMNFGVXSMOTKCQ-CYBMUJFWSA-N	0	1	392.275	2.025	20	5		GEBDMN
Cc1nn(C)c(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1Br	ZINC000820802619	653784410	/nfs/dbraw/zinc/78/44/10/653784410.db2.gz	NDOVERFRFNAZES-UHFFFAOYSA-N	0	1	393.194	2.339	20	5		GEBDMN
Cc1c(Br)c(N2CC(CNC(=O)C(F)(F)F)C2)ncc1[N+](=O)[O-]	ZINC000866294561	653790483	/nfs/dbraw/zinc/79/04/83/653790483.db2.gz	RXHDYZVLHGMAGB-UHFFFAOYSA-N	0	1	397.151	2.175	20	5		GEBDMN
Cc1c(Br)cc(C(=O)N[C@@H](C)[C@@H]2CN(C)CCN2C)cc1[N+](=O)[O-]	ZINC000896553784	653884929	/nfs/dbraw/zinc/88/49/29/653884929.db2.gz	VHCXJBQEPHKMQN-NHYWBVRUSA-N	0	1	399.289	2.030	20	5		GEBDMN
Cc1c(Br)cc(C(=O)N[C@H](C)[C@@H]2CN(C)CCN2C)cc1[N+](=O)[O-]	ZINC000896553782	653885065	/nfs/dbraw/zinc/88/50/65/653885065.db2.gz	VHCXJBQEPHKMQN-ABAIWWIYSA-N	0	1	399.289	2.030	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@@H](CO)Cc2ccccc2)c1	ZINC000795850485	653970202	/nfs/dbraw/zinc/97/02/02/653970202.db2.gz	KSWMPZWONWLCDQ-LLVKDONJSA-N	0	1	388.804	2.269	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@@H]2CCCCC23OCCO3)c1	ZINC000795891513	653975590	/nfs/dbraw/zinc/97/55/90/653975590.db2.gz	VOBIEGJIWBSXIJ-GFCCVEGCSA-N	0	1	394.808	2.351	20	5		GEBDMN
CN(C)c1cccc(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)n1	ZINC000795896507	653975913	/nfs/dbraw/zinc/97/59/13/653975913.db2.gz	BPEQYUXLILMJAT-UHFFFAOYSA-N	0	1	388.808	2.327	20	5		GEBDMN
CC(C)(C)N1CC[C@@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1=O	ZINC000827814448	654009093	/nfs/dbraw/zinc/00/90/93/654009093.db2.gz	DZMWEULXTMCURS-SNVBAGLBSA-N	0	1	393.824	2.065	20	5		GEBDMN
COC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000832035160	654226603	/nfs/dbraw/zinc/22/66/03/654226603.db2.gz	UNHWPSVYIPSWEY-SCZZXKLOSA-N	0	1	380.781	2.007	20	5		GEBDMN
C[C@@H]1CN(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])[C@@H](C)CN1C	ZINC000802979422	654253620	/nfs/dbraw/zinc/25/36/20/654253620.db2.gz	YNCKWLBUPWCJOS-NEPJUHHUSA-N	0	1	399.289	2.345	20	5		GEBDMN
Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]([C@@H]2CCOC2)C(F)(F)F)cc1C	ZINC000921863090	654334763	/nfs/dbraw/zinc/33/47/63/654334763.db2.gz	UOQDDCSOFKLMQS-MFKMUULPSA-N	0	1	382.360	2.457	20	5		GEBDMN
COC(OC)[C@H](C)NCc1cc(I)cc([N+](=O)[O-])c1	ZINC000922312664	654382651	/nfs/dbraw/zinc/38/26/51/654382651.db2.gz	GNMVFIVILMHYOT-QMMMGPOBSA-N	0	1	380.182	2.296	20	5		GEBDMN
O=C1NC[C@H](O)CC12CCN(Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])CC2	ZINC000932835506	654793031	/nfs/dbraw/zinc/79/30/31/654793031.db2.gz	MHWGZXVPUHBUMN-GFCCVEGCSA-N	0	1	388.251	2.365	20	5		GEBDMN
COC(=O)c1ccnc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)c1[N+](=O)[O-]	ZINC001164726557	720396293	/nfs/dbraw/zinc/39/62/93/720396293.db2.gz	PNAWBUYDJHNMEA-HOTGVXAUSA-N	0	1	383.408	2.025	20	5		GEBDMN
O=[N+]([O-])c1ccc2ncc(N3CCc4ncc(CN5CCCC5)n4CC3)nc2c1	ZINC001164733049	720553134	/nfs/dbraw/zinc/55/31/34/720553134.db2.gz	IQIJGXQDRWURFJ-UHFFFAOYSA-N	0	1	393.451	2.393	20	5		GEBDMN
COc1nc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)ncc1[N+](=O)[O-]	ZINC001164856762	720919615	/nfs/dbraw/zinc/91/96/15/720919615.db2.gz	KTIFGRNOXIJTFO-LBPRGKRZSA-N	0	1	375.433	2.011	20	5		GEBDMN
COc1cc(C)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-]	ZINC001164864043	721080077	/nfs/dbraw/zinc/08/00/77/721080077.db2.gz	DQLQMKIEWXHFJA-IRXDYDNUSA-N	0	1	399.451	2.182	20	5		GEBDMN
COc1cc(C)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164864041	721081055	/nfs/dbraw/zinc/08/10/55/721081055.db2.gz	DQLQMKIEWXHFJA-IAGOWNOFSA-N	0	1	399.451	2.182	20	5		GEBDMN
Cn1cc(CN2CC[C@H]3CN(c4cc(Cl)ncc4[N+](=O)[O-])C[C@H]3C2)cn1	ZINC001164761588	721090260	/nfs/dbraw/zinc/09/02/60/721090260.db2.gz	CAZFBSAKTFYWKA-UONOGXRCSA-N	0	1	376.848	2.335	20	5		GEBDMN
Cn1cc(CN2CC[C@H]3CN(c4cc(Cl)cc([N+](=O)[O-])n4)C[C@H]3C2)cn1	ZINC001164761712	721110388	/nfs/dbraw/zinc/11/03/88/721110388.db2.gz	APLHYQJOQFLDSU-UONOGXRCSA-N	0	1	376.848	2.335	20	5		GEBDMN
Cn1cc(CN2CC[C@@H]3CN(c4cc([N+](=O)[O-])c5cc[nH]c5n4)C[C@H]3C2)cn1	ZINC001164771832	721169836	/nfs/dbraw/zinc/16/98/36/721169836.db2.gz	RCESHAQWMWMFDE-HUUCEWRRSA-N	0	1	381.440	2.163	20	5		GEBDMN
Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164906377	721543386	/nfs/dbraw/zinc/54/33/86/721543386.db2.gz	KHIUHQDZXBOJAX-DOTOQJQBSA-N	0	1	388.399	2.018	20	5		GEBDMN
Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164906379	721543598	/nfs/dbraw/zinc/54/35/98/721543598.db2.gz	KHIUHQDZXBOJAX-RDJZCZTQSA-N	0	1	388.399	2.018	20	5		GEBDMN
Cc1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c([N+](=O)[O-])c1	ZINC001164984094	722101616	/nfs/dbraw/zinc/10/16/16/722101616.db2.gz	RRQYNQMAVRZHJQ-HKUYNNGSSA-N	0	1	383.452	2.421	20	5		GEBDMN
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccccc1NS(C)(=O)=O	ZINC000032595885	531654878	/nfs/dbraw/zinc/65/48/78/531654878.db2.gz	FVSCWGMDYLUQKK-UHFFFAOYSA-N	0	1	385.423	2.076	20	5		GEBDMN
COc1ccc(CNCCN(C)S(=O)(=O)c2cccs2)cc1[N+](=O)[O-]	ZINC000158358006	531775200	/nfs/dbraw/zinc/77/52/00/531775200.db2.gz	KHBPZPIAYHMUEU-UHFFFAOYSA-N	0	1	385.467	2.075	20	5		GEBDMN
CN(CCN1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000163294441	531854381	/nfs/dbraw/zinc/85/43/81/531854381.db2.gz	VNIAPCDXBIFWIY-UHFFFAOYSA-N	0	1	381.376	2.330	20	5		GEBDMN
O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNCc1ccc(F)c(Cl)c1	ZINC000162701699	531848093	/nfs/dbraw/zinc/84/80/93/531848093.db2.gz	RHUOGJRHIPIMSV-UHFFFAOYSA-N	0	1	387.820	2.455	20	5		GEBDMN
CC(C)N(CCN(C)C)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000123482583	532100102	/nfs/dbraw/zinc/10/01/02/532100102.db2.gz	WKARLASAUIFNDZ-UHFFFAOYSA-N	0	1	394.291	2.318	20	5		GEBDMN
C[C@@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCN(C)CC1	ZINC000182968015	532320280	/nfs/dbraw/zinc/32/02/80/532320280.db2.gz	MFTQXBFESVJZNQ-LBPRGKRZSA-N	0	1	386.905	2.092	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(-n3cnnn3)ccc2Cl)s1	ZINC000185935346	532339146	/nfs/dbraw/zinc/33/91/46/532339146.db2.gz	ZMGSABNHVZVPBX-UHFFFAOYSA-N	0	1	386.802	2.086	20	5		GEBDMN
O=C(NCCCCn1cc(Br)cn1)c1cc(O)cc([N+](=O)[O-])c1	ZINC000280040496	532406714	/nfs/dbraw/zinc/40/67/14/532406714.db2.gz	OFJGGODLXYIMGV-UHFFFAOYSA-N	0	1	383.202	2.470	20	5		GEBDMN
C[C@@H](CCCC[NH3+])[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000427958773	532439026	/nfs/dbraw/zinc/43/90/26/532439026.db2.gz	KGNLBSDNYWOAPQ-VIFPVBQESA-N	0	1	380.264	2.153	20	5		GEBDMN
CC(C)(CCC[NH3+])[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000431039700	532504638	/nfs/dbraw/zinc/50/46/38/532504638.db2.gz	SSCAEHAJZHCNGS-UHFFFAOYSA-N	0	1	380.264	2.153	20	5		GEBDMN
CO[C@@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@H]1CCOC1	ZINC000594799578	532531866	/nfs/dbraw/zinc/53/18/66/532531866.db2.gz	FQAVHHQVERVDAH-UFBFGSQYSA-N	0	1	399.252	2.231	20	5		GEBDMN
CCc1nnc(CNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)[nH]1	ZINC000296919262	532553709	/nfs/dbraw/zinc/55/37/09/532553709.db2.gz	FRBXRZAQRKGBAO-UHFFFAOYSA-N	0	1	380.213	2.061	20	5		GEBDMN
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NCCOC(F)(F)F	ZINC000474387228	532616076	/nfs/dbraw/zinc/61/60/76/532616076.db2.gz	ATVRFGGDXJXUMA-UHFFFAOYSA-N	0	1	393.137	2.172	20	5		GEBDMN
CCc1cnc(CNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])o1	ZINC000474580092	532622132	/nfs/dbraw/zinc/62/21/32/532622132.db2.gz	OJJRMIIYXGXKCE-UHFFFAOYSA-N	0	1	390.215	2.386	20	5		GEBDMN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC(C)(C)c2ccc(F)cc2Cl)n1	ZINC000599237928	532656363	/nfs/dbraw/zinc/65/63/63/532656363.db2.gz	UUXLNONTXIJEBQ-UHFFFAOYSA-N	0	1	390.824	2.377	20	5		GEBDMN
Cc1nn(C)c(C)c1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000286097085	532728300	/nfs/dbraw/zinc/72/83/00/532728300.db2.gz	UMKGAEDWWLHWFC-UHFFFAOYSA-N	0	1	376.797	2.216	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCc2nnc(C3CC3)o2)c1	ZINC000286376034	532742655	/nfs/dbraw/zinc/74/26/55/532742655.db2.gz	KCXHEJPTXKSVRY-UHFFFAOYSA-N	0	1	376.753	2.126	20	5		GEBDMN
CCc1nnc([C@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)[nH]1	ZINC000286272035	532737258	/nfs/dbraw/zinc/73/72/58/532737258.db2.gz	FAOLMKGLIFLXIC-LURJTMIESA-N	0	1	377.785	2.107	20	5		GEBDMN
O=[N+]([O-])c1cc(I)ccc1NCCN1CCCOCC1	ZINC000302505696	532770788	/nfs/dbraw/zinc/77/07/88/532770788.db2.gz	QIYFITCRQLEMJX-UHFFFAOYSA-N	0	1	391.209	2.334	20	5		GEBDMN
Cc1cc(Br)cn2cc(CCNC(=O)c3n[nH]cc3[N+](=O)[O-])nc12	ZINC000546823891	532786019	/nfs/dbraw/zinc/78/60/19/532786019.db2.gz	PZSKKILDERUYQN-UHFFFAOYSA-N	0	1	393.201	2.009	20	5		GEBDMN
Cc1cc(Br)cn2cc(CCNC(=O)c3[n-]ncc3[N+](=O)[O-])[nH+]c12	ZINC000546823891	532786021	/nfs/dbraw/zinc/78/60/21/532786021.db2.gz	PZSKKILDERUYQN-UHFFFAOYSA-N	0	1	393.201	2.009	20	5		GEBDMN
CN(C)CCN(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000414455032	532828413	/nfs/dbraw/zinc/82/84/13/532828413.db2.gz	BWWURPHIVBISOH-UHFFFAOYSA-N	0	1	381.376	2.328	20	5		GEBDMN
CCN1CCC[C@@H]1CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000331197336	532835792	/nfs/dbraw/zinc/83/57/92/532835792.db2.gz	YVCXOEZAKPPGAD-LLVKDONJSA-N	0	1	392.275	2.120	20	5		GEBDMN
COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C1CC1)C(F)(F)F	ZINC000288692917	532835394	/nfs/dbraw/zinc/83/53/94/532835394.db2.gz	VRJOLCAKFRINCC-NSHDSACASA-N	0	1	382.316	2.001	20	5		GEBDMN
CN1CC=C(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1	ZINC000273986665	532838891	/nfs/dbraw/zinc/83/88/91/532838891.db2.gz	RFFLHPSJRNVAHI-UHFFFAOYSA-N	0	1	379.360	2.154	20	5		GEBDMN
CS[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C[C@@H]1N1CCCC1	ZINC000332077866	532848714	/nfs/dbraw/zinc/84/87/14/532848714.db2.gz	HEGBSZSQUCSHBZ-LSDHHAIUSA-N	0	1	385.511	2.104	20	5		GEBDMN
O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@@H](c2nc[nH]n2)C1	ZINC000332341343	532852271	/nfs/dbraw/zinc/85/22/71/532852271.db2.gz	QYBUHHBRHRPRDE-SECBINFHSA-N	0	1	380.202	2.495	20	5		GEBDMN
CN(CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1	ZINC000274704447	532854467	/nfs/dbraw/zinc/85/44/67/532854467.db2.gz	ZKFVFHKBYXPDOI-UHFFFAOYSA-N	0	1	392.275	2.072	20	5		GEBDMN
CS[C@@H]1CN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C[C@H]1N1CCCC1	ZINC000274728632	532855040	/nfs/dbraw/zinc/85/50/40/532855040.db2.gz	DINHYERMSGPCKB-HUUCEWRRSA-N	0	1	385.511	2.104	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1Cl	ZINC000289548005	532858894	/nfs/dbraw/zinc/85/88/94/532858894.db2.gz	RSNKLPGTWKRWDM-VIFPVBQESA-N	0	1	377.825	2.150	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CC[N@H+](C3CC3)C2)cc1Cl	ZINC000289548005	532858899	/nfs/dbraw/zinc/85/88/99/532858899.db2.gz	RSNKLPGTWKRWDM-VIFPVBQESA-N	0	1	377.825	2.150	20	5		GEBDMN
COCc1nc(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cs1	ZINC000290232930	532875793	/nfs/dbraw/zinc/87/57/93/532875793.db2.gz	YDLQXAZQUNGQCW-UHFFFAOYSA-N	0	1	377.831	2.330	20	5		GEBDMN
C[NH+]1CCN([C@@H](C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2)CC1	ZINC000737514818	600190007	/nfs/dbraw/zinc/19/00/07/600190007.db2.gz	BMRYSZLHHKLGTB-GOSISDBHSA-N	0	1	398.419	2.220	20	5		GEBDMN
NC(=O)c1ccc(C[N@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)c([N+](=O)[O-])c1	ZINC000739177419	600326374	/nfs/dbraw/zinc/32/63/74/600326374.db2.gz	NQTFOXRQSWDPPR-UHFFFAOYSA-N	0	1	393.346	2.449	20	5		GEBDMN
NC(=O)c1ccc(C[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)c([N+](=O)[O-])c1	ZINC000739177419	600326378	/nfs/dbraw/zinc/32/63/78/600326378.db2.gz	NQTFOXRQSWDPPR-UHFFFAOYSA-N	0	1	393.346	2.449	20	5		GEBDMN
CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[C@H](C)C1	ZINC000737168690	600611105	/nfs/dbraw/zinc/61/11/05/600611105.db2.gz	VSOMFHMVLFHZSF-DYVFJYSZSA-N	0	1	393.440	2.160	20	5		GEBDMN
CC(C)C[C@@H](NC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C(=O)[O-]	ZINC000826786408	600848910	/nfs/dbraw/zinc/84/89/10/600848910.db2.gz	NIAHFXKPFYBKLX-QGZVFWFLSA-N	0	1	393.440	2.054	20	5		GEBDMN
CC[C@H](C)[C@H](NC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C(=O)[O-]	ZINC000828716923	600849246	/nfs/dbraw/zinc/84/92/46/600849246.db2.gz	HUMAFQOUXSVLFU-UGSOOPFHSA-N	0	1	393.440	2.054	20	5		GEBDMN
O=C(Cc1ccccc1[N+](=O)[O-])N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1	ZINC000833119007	601733798	/nfs/dbraw/zinc/73/37/98/601733798.db2.gz	SQWLWPCVWGCGFE-OAQYLSRUSA-N	0	1	397.431	2.373	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc3c(c2)CCC3)c1-c1nn[nH]n1	ZINC000826500387	607575829	/nfs/dbraw/zinc/57/58/29/607575829.db2.gz	WRQOZJZVXPYDFJ-UHFFFAOYSA-N	0	1	387.377	2.031	20	5		GEBDMN
C[C@H](NC(=O)[O-])C1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1	ZINC000739030253	602707565	/nfs/dbraw/zinc/70/75/65/602707565.db2.gz	YYSNUKGRUBXOGS-BLLLJJGKSA-N	0	1	376.413	2.068	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)NCCCC2CCCC2)c1-c1nn[nH]n1	ZINC000826500210	607584699	/nfs/dbraw/zinc/58/46/99/607584699.db2.gz	OMEALNIMSDMRMO-UHFFFAOYSA-N	0	1	380.430	2.024	20	5		GEBDMN
CN(C[C@@H]1CCC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1)C(=O)[O-]	ZINC000739638133	602991413	/nfs/dbraw/zinc/99/14/13/602991413.db2.gz	UOGYFKVARYOJEN-ZDUSSCGKSA-N	0	1	392.412	2.215	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc3ncccc3c2)c1-c1nn[nH]n1	ZINC000826500453	607601588	/nfs/dbraw/zinc/60/15/88/607601588.db2.gz	YWFSFOOPDXOIBF-UHFFFAOYSA-N	0	1	398.360	2.091	20	5		GEBDMN
CC[C@@H](C)[C@@H](C)N(C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000825060207	607607928	/nfs/dbraw/zinc/60/79/28/607607928.db2.gz	OQTNNTVNDXJSDT-GHMZBOCLSA-N	0	1	394.457	2.363	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)NCCCCC2CCCC2)c1-c1nn[nH]n1	ZINC000826500416	607655516	/nfs/dbraw/zinc/65/55/16/607655516.db2.gz	XTSRORIOIJMTKO-UHFFFAOYSA-N	0	1	394.457	2.414	20	5		GEBDMN
Cc1nn(C[N@H+]2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)c2ncc([N+](=O)[O-])cc12	ZINC000830870906	603908620	/nfs/dbraw/zinc/90/86/20/603908620.db2.gz	OLCSGMQZAQNQQV-CJNGLKHVSA-N	0	1	388.428	2.460	20	5		GEBDMN
Cc1nn(C[N@H+]2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)c2ncc([N+](=O)[O-])cc12	ZINC000830870901	603909085	/nfs/dbraw/zinc/90/90/85/603909085.db2.gz	OLCSGMQZAQNQQV-BBRMVZONSA-N	0	1	388.428	2.460	20	5		GEBDMN
CCCC[C@H](CCC)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000825258884	607662280	/nfs/dbraw/zinc/66/22/80/607662280.db2.gz	GOVUDBHIDNINAB-NSHDSACASA-N	0	1	382.446	2.412	20	5		GEBDMN
CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1	ZINC000833504308	604763896	/nfs/dbraw/zinc/76/38/96/604763896.db2.gz	BRZJZIHVHALXGL-MRXNPFEDSA-N	0	1	376.413	2.305	20	5		GEBDMN
C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-]	ZINC000833635248	605021264	/nfs/dbraw/zinc/02/12/64/605021264.db2.gz	RDNSLQNGIIPFAG-GXTWGEPZSA-N	0	1	393.465	2.470	20	5		GEBDMN
C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@@H]1C	ZINC000833539976	605163118	/nfs/dbraw/zinc/16/31/18/605163118.db2.gz	QSOMOTLIRHVNKB-NWDGAFQWSA-N	0	1	399.831	2.023	20	5		GEBDMN
CCC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCN(C(=O)[O-])CC1	ZINC000826898638	605483390	/nfs/dbraw/zinc/48/33/90/605483390.db2.gz	ZHQCSISLSSYVIA-UHFFFAOYSA-N	0	1	390.440	2.338	20	5		GEBDMN
O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1	ZINC000834031423	605520334	/nfs/dbraw/zinc/52/03/34/605520334.db2.gz	ZDSJRIOXELCLJR-DOTOQJQBSA-N	0	1	390.440	2.065	20	5		GEBDMN
O=C([O-])N1CCC2(CC[N@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)CC1	ZINC000834093747	605897621	/nfs/dbraw/zinc/89/76/21/605897621.db2.gz	NLGYTCBLVKJGAY-MRXNPFEDSA-N	0	1	388.424	2.166	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)[O-])CC2	ZINC000833907411	605898910	/nfs/dbraw/zinc/89/89/10/605898910.db2.gz	IRSZGBDZYZLEOG-UHFFFAOYSA-N	0	1	376.413	2.308	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC2(C1)CCN(C(=O)[O-])CC2	ZINC000833907411	605898915	/nfs/dbraw/zinc/89/89/15/605898915.db2.gz	IRSZGBDZYZLEOG-UHFFFAOYSA-N	0	1	376.413	2.308	20	5		GEBDMN
CSc1nnc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)s1	ZINC000445697718	649963688	/nfs/dbraw/zinc/96/36/88/649963688.db2.gz	SNZCEJVZMXYNRS-UHFFFAOYSA-N	0	1	380.860	2.300	20	5		GEBDMN
C[C@H](N[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1cccc([N+](=O)[O-])c1	ZINC000820419406	606301050	/nfs/dbraw/zinc/30/10/50/606301050.db2.gz	GTARLULZGIUVJI-IINYFYTJSA-N	0	1	399.436	2.293	20	5		GEBDMN
CCC(CC)CN(CC)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000820893583	606732446	/nfs/dbraw/zinc/73/24/46/606732446.db2.gz	RVRLXYAXAYACTN-UHFFFAOYSA-N	0	1	382.446	2.222	20	5		GEBDMN
CCC[C@]1(C)CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1	ZINC000821028032	606735995	/nfs/dbraw/zinc/73/59/95/606735995.db2.gz	RWSFBWWEPXASEI-MRXNPFEDSA-N	0	1	394.457	2.366	20	5		GEBDMN
CCN(c1cccc(C)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000821240757	607155019	/nfs/dbraw/zinc/15/50/19/607155019.db2.gz	IGKYEABRXZRFJN-UHFFFAOYSA-N	0	1	388.409	2.299	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C)c1cccc(-c2nn[nH]n2)c1	ZINC000826293541	608487946	/nfs/dbraw/zinc/48/79/46/608487946.db2.gz	SRJNQGKJUQXREM-LBPRGKRZSA-N	0	1	381.396	2.373	20	5		GEBDMN
CC[C@H](NCC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1	ZINC000825143518	608552165	/nfs/dbraw/zinc/55/21/65/608552165.db2.gz	WDPLCSPMFGUKGT-KRWDZBQOSA-N	0	1	395.423	2.132	20	5		GEBDMN
CC[C@@H](NCC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1	ZINC000825141378	608552282	/nfs/dbraw/zinc/55/22/82/608552282.db2.gz	NZBJRHVKWJFUEQ-MRXNPFEDSA-N	0	1	381.396	2.454	20	5		GEBDMN
Cc1ccc([C@H](C)NCC(=O)NCc2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-]	ZINC000826283030	608554057	/nfs/dbraw/zinc/55/40/57/608554057.db2.gz	ISBAIBKSIGZRGP-ZDUSSCGKSA-N	0	1	395.423	2.050	20	5		GEBDMN
Cc1cccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])c1F	ZINC000826299767	608583348	/nfs/dbraw/zinc/58/33/48/608583348.db2.gz	UKCSDJNLKJAJJF-UHFFFAOYSA-N	0	1	378.345	2.023	20	5		GEBDMN
Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cnn1C	ZINC000446986679	649991849	/nfs/dbraw/zinc/99/18/49/649991849.db2.gz	KCOFSRQWANTUKD-UHFFFAOYSA-N	0	1	375.204	2.200	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(-n2cncn2)nc1	ZINC000502002433	650400066	/nfs/dbraw/zinc/40/00/66/650400066.db2.gz	MFAAMCUOOVRWEX-UHFFFAOYSA-N	0	1	380.773	2.025	20	5		GEBDMN
Cn1nc2c(c1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CCCC2	ZINC000462148543	650471129	/nfs/dbraw/zinc/47/11/29/650471129.db2.gz	DCGNFCZBHUMDAP-UHFFFAOYSA-N	0	1	384.845	2.339	20	5		GEBDMN
CC(=O)N1CCC(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1	ZINC000462480983	650481636	/nfs/dbraw/zinc/48/16/36/650481636.db2.gz	UBKLPNYBVNJDBH-UHFFFAOYSA-N	0	1	396.252	2.191	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC1(c2nc[nH]n2)CCC1	ZINC000509780922	650500648	/nfs/dbraw/zinc/50/06/48/650500648.db2.gz	FLWFSJXUTADUMC-UHFFFAOYSA-N	0	1	392.224	2.377	20	5		GEBDMN
CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1F	ZINC000475831479	650541088	/nfs/dbraw/zinc/54/10/88/650541088.db2.gz	VNBVGJBAFVVLJA-UHFFFAOYSA-N	0	1	392.361	2.077	20	5		GEBDMN
COC(=O)[C@@H](NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C)c1cccs1	ZINC000481361526	650644820	/nfs/dbraw/zinc/64/48/20/650644820.db2.gz	YDGYWJUHEOOGLT-ZDUSSCGKSA-N	0	1	384.435	2.466	20	5		GEBDMN
Cc1cc(CNS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])on1	ZINC000045006556	642586392	/nfs/dbraw/zinc/58/63/92/642586392.db2.gz	NRFRNWNWMCSYMM-UHFFFAOYSA-N	0	1	376.188	2.132	20	5		GEBDMN
O=[N+]([O-])c1cnn(CCN(CCO)Cc2cc(Br)cs2)c1	ZINC000494247364	650802621	/nfs/dbraw/zinc/80/26/21/650802621.db2.gz	JMLTXQBSVZNIBL-UHFFFAOYSA-N	0	1	375.248	2.110	20	5		GEBDMN
CCN(CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])CCC(F)(F)F	ZINC000494408385	650806878	/nfs/dbraw/zinc/80/68/78/650806878.db2.gz	WVPFEZCUZSQYKW-UHFFFAOYSA-N	0	1	387.355	2.287	20	5		GEBDMN
CNC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000497993645	650845059	/nfs/dbraw/zinc/84/50/59/650845059.db2.gz	ONBPPVNHVVNLEV-SCZZXKLOSA-N	0	1	396.252	2.095	20	5		GEBDMN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cs1	ZINC000120212841	643595994	/nfs/dbraw/zinc/59/59/94/643595994.db2.gz	XWEKVYYPCIIQPA-JTQLQIEISA-N	0	1	383.455	2.220	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](O)CS(=O)(=O)c1cccs1	ZINC000540155401	650858195	/nfs/dbraw/zinc/85/81/95/650858195.db2.gz	MAEBNDWQRKFLAS-JSGCOSHPSA-N	0	1	384.479	2.450	20	5		GEBDMN
Cc1ccc(Br)cc1NC(=O)CCNC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000128274671	643797047	/nfs/dbraw/zinc/79/70/47/643797047.db2.gz	YVBBJHUONCGHKY-UHFFFAOYSA-N	0	1	396.201	2.147	20	5		GEBDMN
CC(C)(C)[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(N)=O	ZINC000130549039	643842978	/nfs/dbraw/zinc/84/29/78/643842978.db2.gz	ZTSJWSIEFHVTBF-SNVBAGLBSA-N	0	1	384.241	2.080	20	5		GEBDMN
C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2I)C[C@@H](C)N1	ZINC000154239005	644028028	/nfs/dbraw/zinc/02/80/28/644028028.db2.gz	JHZLDVADPRUAFX-RKDXNWHRSA-N	0	1	389.193	2.022	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)s1	ZINC000160889013	644205932	/nfs/dbraw/zinc/20/59/32/644205932.db2.gz	ZSUKWFGPYMVMCD-GFCCVEGCSA-N	0	1	396.368	2.385	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)s1	ZINC000160888874	644205960	/nfs/dbraw/zinc/20/59/60/644205960.db2.gz	ZSUKWFGPYMVMCD-LBPRGKRZSA-N	0	1	396.368	2.385	20	5		GEBDMN
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CCCc2[nH]ncc21	ZINC000279331330	646592046	/nfs/dbraw/zinc/59/20/46/646592046.db2.gz	HHEGRDPFJIWWTR-UHFFFAOYSA-N	0	1	387.215	2.222	20	5		GEBDMN
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC1CCN(c2nccs2)CC1	ZINC000281413298	646770038	/nfs/dbraw/zinc/77/00/38/646770038.db2.gz	FKSOSXKOURIFPD-UHFFFAOYSA-N	0	1	386.430	2.138	20	5		GEBDMN
Cc1nc(C(C)(C)NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)no1	ZINC000285316320	646853395	/nfs/dbraw/zinc/85/33/95/646853395.db2.gz	WFZIODSAQRVWHF-UHFFFAOYSA-N	0	1	378.769	2.292	20	5		GEBDMN
CN(C[C@H]1CCCN1C)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000420762626	648453324	/nfs/dbraw/zinc/45/33/24/648453324.db2.gz	IHBKVNWAWHMWJE-LLVKDONJSA-N	0	1	392.275	2.072	20	5		GEBDMN
O=[N+]([O-])c1ccc(CNCCNS(=O)(=O)c2ccc(Cl)cc2F)cc1	ZINC000441380904	648826332	/nfs/dbraw/zinc/82/63/32/648826332.db2.gz	PZNYNOGIQAWQMN-UHFFFAOYSA-N	0	1	387.820	2.455	20	5		GEBDMN
C[C@H](CO[C@@H]1CCOC1)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000441550126	648831893	/nfs/dbraw/zinc/83/18/93/648831893.db2.gz	ZWKRUWFIJWVZKF-PSASIEDQSA-N	0	1	399.252	2.374	20	5		GEBDMN
C[C@@H](CO[C@@H]1CCOC1)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000441550130	648831921	/nfs/dbraw/zinc/83/19/21/648831921.db2.gz	ZWKRUWFIJWVZKF-WCBMZHEXSA-N	0	1	399.252	2.374	20	5		GEBDMN
C[C@H](CO[C@H]1CCOC1)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000441550127	648831927	/nfs/dbraw/zinc/83/19/27/648831927.db2.gz	ZWKRUWFIJWVZKF-SCZZXKLOSA-N	0	1	399.252	2.374	20	5		GEBDMN
CS(=O)(=O)c1c(F)cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1F	ZINC000442359515	648842671	/nfs/dbraw/zinc/84/26/71/648842671.db2.gz	ZXKJWNMFCZGYCR-UHFFFAOYSA-N	0	1	392.361	2.077	20	5		GEBDMN
CSC[C@@](C)(O)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000443253933	648869719	/nfs/dbraw/zinc/86/97/19/648869719.db2.gz	HIKJMLCAWNZPFQ-NSHDSACASA-N	0	1	389.282	2.294	20	5		GEBDMN
CSCC[C@@H](CO)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000443491021	648879720	/nfs/dbraw/zinc/87/97/20/648879720.db2.gz	PFKVHDLKYYECIT-QMMMGPOBSA-N	0	1	389.282	2.294	20	5		GEBDMN
COCCN1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1	ZINC000610064742	651641431	/nfs/dbraw/zinc/64/14/31/651641431.db2.gz	UQSQVUNZZHUETI-NSHDSACASA-N	0	1	386.246	2.198	20	5		GEBDMN
COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cnn(CC(F)(F)F)c1	ZINC000619467566	652060261	/nfs/dbraw/zinc/06/02/61/652060261.db2.gz	PHNOIMLKKIPJGO-UHFFFAOYSA-N	0	1	380.304	2.163	20	5		GEBDMN
CC[C@H]1CN(C)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br	ZINC000578981835	652308417	/nfs/dbraw/zinc/30/84/17/652308417.db2.gz	ZCDBYWGLHLVNJV-NSHDSACASA-N	0	1	385.262	2.322	20	5		GEBDMN
C[C@@H]1CC[N@@H+](CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1	ZINC000582349257	652446851	/nfs/dbraw/zinc/44/68/51/652446851.db2.gz	WCZOAXPHAULROC-SNVBAGLBSA-N	0	1	381.376	2.234	20	5		GEBDMN
C[C@@H]1CCN(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1	ZINC000582349257	652446854	/nfs/dbraw/zinc/44/68/54/652446854.db2.gz	WCZOAXPHAULROC-SNVBAGLBSA-N	0	1	381.376	2.234	20	5		GEBDMN
CSc1ccc(CNCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	ZINC000589310630	652565437	/nfs/dbraw/zinc/56/54/37/652565437.db2.gz	SZXIVKMBVASISW-UHFFFAOYSA-N	0	1	387.508	2.446	20	5		GEBDMN
COC(=O)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)cn1C	ZINC000761902164	652660780	/nfs/dbraw/zinc/66/07/80/652660780.db2.gz	WUZWLSOALJYHEB-UHFFFAOYSA-N	0	1	387.801	2.483	20	5		GEBDMN
CCOC(=O)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)[nH]n1	ZINC000763374414	652753901	/nfs/dbraw/zinc/75/39/01/652753901.db2.gz	QGPICNKQXATRLI-UHFFFAOYSA-N	0	1	388.789	2.257	20	5		GEBDMN
CCc1cc(CNS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)n[nH]1	ZINC000765184956	652829520	/nfs/dbraw/zinc/82/95/20/652829520.db2.gz	FIAOOOJBKPLBKQ-UHFFFAOYSA-N	0	1	389.231	2.121	20	5		GEBDMN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2(c3ccc(F)cc3Cl)CC2)n1	ZINC000599269369	652857117	/nfs/dbraw/zinc/85/71/17/652857117.db2.gz	PLZUEBGIGLTILA-UHFFFAOYSA-N	0	1	388.808	2.131	20	5		GEBDMN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)n1	ZINC000599272190	652857319	/nfs/dbraw/zinc/85/73/19/652857319.db2.gz	LUKMFXWIOFOGGQ-LLVKDONJSA-N	0	1	386.817	2.174	20	5		GEBDMN
O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCN(C[C@@H]2CCOC2)CC1	ZINC000599636856	652881457	/nfs/dbraw/zinc/88/14/57/652881457.db2.gz	QSTXVVVIBNXCLH-LBPRGKRZSA-N	0	1	398.257	2.152	20	5		GEBDMN
CCOC(=O)c1sc(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)nc1C	ZINC000768851899	653132027	/nfs/dbraw/zinc/13/20/27/653132027.db2.gz	DZCMQBZTOKALIB-UHFFFAOYSA-N	0	1	391.452	2.076	20	5		GEBDMN
Cc1cnc(N)c(S(=O)(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c1	ZINC000773230198	653188619	/nfs/dbraw/zinc/18/86/19/653188619.db2.gz	HUJNORGINJXYQQ-UHFFFAOYSA-N	0	1	387.215	2.444	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1Cl	ZINC000809808689	653297321	/nfs/dbraw/zinc/29/73/21/653297321.db2.gz	DQAPEXVLSDZKBH-NWDGAFQWSA-N	0	1	377.825	2.292	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2CC[N@H+]3CCCC[C@H]23)cc1Cl	ZINC000809808689	653297323	/nfs/dbraw/zinc/29/73/23/653297323.db2.gz	DQAPEXVLSDZKBH-NWDGAFQWSA-N	0	1	377.825	2.292	20	5		GEBDMN
O=[N+]([O-])c1cc(S(=O)(=O)NCC[C@H](O)C(F)(F)F)c(Cl)cc1Cl	ZINC000809819663	653300574	/nfs/dbraw/zinc/30/05/74/653300574.db2.gz	CBXZGFWFYIKTPB-VIFPVBQESA-N	0	1	397.158	2.493	20	5		GEBDMN
CN(C)C(=O)CCN1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1	ZINC000809952810	653314872	/nfs/dbraw/zinc/31/48/72/653314872.db2.gz	FNVHLEZLKDMICP-UHFFFAOYSA-N	0	1	389.283	2.498	20	5		GEBDMN
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@]2(N(C)C)CCSC2)c1	ZINC000779904527	653615833	/nfs/dbraw/zinc/61/58/33/653615833.db2.gz	FQIJIFWPQROLRY-CQSZACIVSA-N	0	1	393.918	2.272	20	5		GEBDMN
C[NH+]1CCC(CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1	ZINC000815008906	653643067	/nfs/dbraw/zinc/64/30/67/653643067.db2.gz	SGJKXBQFNBFNOQ-UHFFFAOYSA-N	0	1	379.841	2.398	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CC[N@H+](CC2CC2)C1	ZINC000815014646	653643658	/nfs/dbraw/zinc/64/36/58/653643658.db2.gz	WEDDMWLEWTWEQB-SNVBAGLBSA-N	0	1	377.825	2.150	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CC[N@@H+](CC2CC2)C1	ZINC000815014646	653643659	/nfs/dbraw/zinc/64/36/59/653643659.db2.gz	WEDDMWLEWTWEQB-SNVBAGLBSA-N	0	1	377.825	2.150	20	5		GEBDMN
CN(C)c1cccc(CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])n1	ZINC000815026592	653645474	/nfs/dbraw/zinc/64/54/74/653645474.db2.gz	HNCSFTORSOPDKT-UHFFFAOYSA-N	0	1	388.808	2.327	20	5		GEBDMN
CCc1nnc([C@H](C)NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[nH]1	ZINC000815029576	653646067	/nfs/dbraw/zinc/64/60/67/653646067.db2.gz	PHGGMNOYYXQMKM-LURJTMIESA-N	0	1	377.785	2.107	20	5		GEBDMN
CC(C)[C@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1nncn1C	ZINC000815045184	653647797	/nfs/dbraw/zinc/64/77/97/653647797.db2.gz	OCBDXKSVHICUFC-LBPRGKRZSA-N	0	1	391.812	2.191	20	5		GEBDMN
COC(=O)[C@H]1CN(C)CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1	ZINC000839631233	653658489	/nfs/dbraw/zinc/65/84/89/653658489.db2.gz	WFAWWGCZKPBDRB-NSHDSACASA-N	0	1	376.240	2.438	20	5		GEBDMN
CC[C@@H]1CN(C)CCN1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O	ZINC000840091083	653674056	/nfs/dbraw/zinc/67/40/56/653674056.db2.gz	ISUGSRNFAJDAOJ-GFCCVEGCSA-N	0	1	397.273	2.297	20	5		GEBDMN
C[C@@H]1CN(CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C[C@H](C)N1C	ZINC000840090670	653674193	/nfs/dbraw/zinc/67/41/93/653674193.db2.gz	SIJPNDUQJDBCAO-PHIMTYICSA-N	0	1	397.273	2.295	20	5		GEBDMN
CN(C)CCN(C1CC1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000840952836	653703476	/nfs/dbraw/zinc/70/34/76/653703476.db2.gz	VVXLPAITXWDUKY-UHFFFAOYSA-N	0	1	392.275	2.072	20	5		GEBDMN
CCOC(=O)[C@@H](Cc1cccc(Br)c1)OC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000842347784	653753220	/nfs/dbraw/zinc/75/32/20/653753220.db2.gz	TWSCFGKTWQNYKW-JHJVBQTASA-N	0	1	386.198	2.132	20	5		GEBDMN
C[C@H](CCCC[NH3+])[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000842869554	653771153	/nfs/dbraw/zinc/77/11/53/653771153.db2.gz	NOPILSUOWIUAOI-SECBINFHSA-N	0	1	380.264	2.153	20	5		GEBDMN
CN(C)C1(CS(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Br)CC1	ZINC000866825199	653833711	/nfs/dbraw/zinc/83/37/11/653833711.db2.gz	JRQUYFQHHPALGA-UHFFFAOYSA-N	0	1	379.232	2.160	20	5		GEBDMN
Cc1c(Br)cc(C(=O)N[C@@H](C)[C@H]2CN(C)CCN2C)cc1[N+](=O)[O-]	ZINC000896553785	653885109	/nfs/dbraw/zinc/88/51/09/653885109.db2.gz	VHCXJBQEPHKMQN-XHDPSFHLSA-N	0	1	399.289	2.030	20	5		GEBDMN
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CCC1CC[NH2+]CC1	ZINC000846234282	653892515	/nfs/dbraw/zinc/89/25/15/653892515.db2.gz	MFQDYZAJLJIXFG-UHFFFAOYSA-N	0	1	392.275	2.025	20	5		GEBDMN
CCOC(=O)[C@@H](CC1CC1)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000795872603	653973480	/nfs/dbraw/zinc/97/34/80/653973480.db2.gz	JKYCXNZHOKJUQO-LLVKDONJSA-N	0	1	394.808	2.397	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC[C@@H](CO)c2ccccc2)c1	ZINC000795874900	653973697	/nfs/dbraw/zinc/97/36/97/653973697.db2.gz	AHVHBEKLHLEPHJ-NSHDSACASA-N	0	1	388.804	2.442	20	5		GEBDMN
CN1CCN(CCNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1	ZINC000900043546	654047479	/nfs/dbraw/zinc/04/74/79/654047479.db2.gz	PSIAABHEJPKSTL-UHFFFAOYSA-N	0	1	379.219	2.018	20	5		GEBDMN
C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CN(C)CCN1C	ZINC000900812091	654082149	/nfs/dbraw/zinc/08/21/49/654082149.db2.gz	RHHMPABZMKZIKE-FZMZJTMJSA-N	0	1	386.905	2.091	20	5		GEBDMN
O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@H]2[C@@H]1CCCN2CCO	ZINC000889744995	654166103	/nfs/dbraw/zinc/16/61/03/654166103.db2.gz	QLBUUYLJAPHCSN-STQMWFEESA-N	0	1	398.257	2.029	20	5		GEBDMN
O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H]2[C@@H]1CCCN2CCO	ZINC000889767605	654170849	/nfs/dbraw/zinc/17/08/49/654170849.db2.gz	IDIOFLUYUMKGOW-KGLIPLIRSA-N	0	1	398.257	2.029	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]([C@H]2CCOC2)C(F)(F)F)c1C	ZINC000921860978	654333931	/nfs/dbraw/zinc/33/39/31/654333931.db2.gz	HOZRCGGDVSWHGM-GXFFZTMASA-N	0	1	382.360	2.457	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)cc(N2CCc3ncc(CN4CCCC4)n3CC2)n1	ZINC001164727270	720559546	/nfs/dbraw/zinc/55/95/46/720559546.db2.gz	CNEKSKZBIUWPOF-UHFFFAOYSA-N	0	1	376.848	2.498	20	5		GEBDMN
O=[N+]([O-])c1cc2ccccc2nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164737891	720731391	/nfs/dbraw/zinc/73/13/91/720731391.db2.gz	DIZGMCIJJUUULC-CVEARBPZSA-N	0	1	392.419	2.275	20	5		GEBDMN
Cc1nc(Cl)nc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164762978	721074737	/nfs/dbraw/zinc/07/47/37/721074737.db2.gz	FPWLKYRFSUWYRB-UONOGXRCSA-N	0	1	391.863	2.038	20	5		GEBDMN
Cc1ccnc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)c1[N+](=O)[O-]	ZINC001164892256	721393363	/nfs/dbraw/zinc/39/33/63/721393363.db2.gz	SKEVJBARBNKJDW-YLJYHZDGSA-N	0	1	389.500	2.064	20	5		GEBDMN
CN(C)C(=O)CN1CCC2(CCCN2c2cc([N+](=O)[O-])cc(Cl)n2)CC1	ZINC001165008842	721730050	/nfs/dbraw/zinc/73/00/50/721730050.db2.gz	SAVPTNOVQOIXHT-UHFFFAOYSA-N	0	1	381.864	2.166	20	5		GEBDMN
CN(C)C(=O)CN1CCC2(CCCN2c2cc(Cl)ncc2[N+](=O)[O-])CC1	ZINC001165009503	721733173	/nfs/dbraw/zinc/73/31/73/721733173.db2.gz	XZHSQJUFQRCASO-UHFFFAOYSA-N	0	1	381.864	2.166	20	5		GEBDMN
O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCN(C[C@H]3CCCO3)CC2)c1	ZINC001165043874	721926151	/nfs/dbraw/zinc/92/61/51/721926151.db2.gz	QAVNFZJIKRGCGD-CYBMUJFWSA-N	0	1	377.832	2.492	20	5		GEBDMN
O=C(NCCCCN1CCOCC1)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000162120770	531835169	/nfs/dbraw/zinc/83/51/69/531835169.db2.gz	JDQJKOLSSUEBDJ-UHFFFAOYSA-N	0	1	386.246	2.200	20	5		GEBDMN
CCN1CCC[C@H]1CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000162163941	531835204	/nfs/dbraw/zinc/83/52/04/531835204.db2.gz	DTYYKJIPPOVIDG-NSHDSACASA-N	0	1	392.275	2.120	20	5		GEBDMN
O=[N+]([O-])c1ccccc1NCCNS(=O)(=O)c1c(F)cc(F)cc1F	ZINC000060497874	531845677	/nfs/dbraw/zinc/84/56/77/531845677.db2.gz	DLWGIDWNRRJBBI-UHFFFAOYSA-N	0	1	375.328	2.403	20	5		GEBDMN
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(S(C)(=O)=O)cc1	ZINC000067116700	531876301	/nfs/dbraw/zinc/87/63/01/531876301.db2.gz	PYAKMURZYMDFOW-UHFFFAOYSA-N	0	1	384.435	2.362	20	5		GEBDMN
CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000113943273	531953187	/nfs/dbraw/zinc/95/31/87/531953187.db2.gz	QDGIVUGNZCABFG-UHFFFAOYSA-N	0	1	392.275	2.072	20	5		GEBDMN
Cc1c(Br)cc(S(=O)(=O)NC2CCN(C)CC2)cc1[N+](=O)[O-]	ZINC000173191581	531994699	/nfs/dbraw/zinc/99/46/99/531994699.db2.gz	NWGKXKIQJSBYPO-UHFFFAOYSA-N	0	1	392.275	2.038	20	5		GEBDMN
O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCN(C2CCOCC2)CC1	ZINC000175860992	532117250	/nfs/dbraw/zinc/11/72/50/532117250.db2.gz	GMBSENBYIQIWCV-UHFFFAOYSA-N	0	1	398.257	2.294	20	5		GEBDMN
O=C(c1cc([N+](=O)[O-])ccc1Br)N1CCN(C2CCOCC2)CC1	ZINC000175837359	532115620	/nfs/dbraw/zinc/11/56/20/532115620.db2.gz	NTDIEGZGWFMKPT-UHFFFAOYSA-N	0	1	398.257	2.294	20	5		GEBDMN
O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)c1n[nH]cc1[N+](=O)[O-]	ZINC000133938308	532245695	/nfs/dbraw/zinc/24/56/95/532245695.db2.gz	CPRHJLJRKUALHP-JTQLQIEISA-N	0	1	380.202	2.089	20	5		GEBDMN
C[C@H](CN1CCN(C)CC1)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000182648565	532316102	/nfs/dbraw/zinc/31/61/02/532316102.db2.gz	MBKZGEFZETZNPS-GFCCVEGCSA-N	0	1	386.905	2.092	20	5		GEBDMN
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CC[C@](O)(C(F)(F)F)C1	ZINC000589922555	532363535	/nfs/dbraw/zinc/36/35/35/532363535.db2.gz	JBGRBZVIYDMPMP-RDDDGLTNSA-N	0	1	388.751	2.372	20	5		GEBDMN
O=C(c1cccc([N+](=O)[O-])c1Br)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000192362624	532402839	/nfs/dbraw/zinc/40/28/39/532402839.db2.gz	URCCZOPKYYSKNQ-LBPRGKRZSA-N	0	1	398.257	2.152	20	5		GEBDMN
CC(C)[C@@](C)(NCc1cc(I)cc([N+](=O)[O-])c1)C(N)=O	ZINC000562684246	532477799	/nfs/dbraw/zinc/47/77/99/532477799.db2.gz	SLLDQJRBIOLMCP-CYBMUJFWSA-N	0	1	391.209	2.189	20	5		GEBDMN
O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1	ZINC000594768996	532525473	/nfs/dbraw/zinc/52/54/73/532525473.db2.gz	ABWRQBURHNQFGA-GFCCVEGCSA-N	0	1	382.829	2.200	20	5		GEBDMN
O=[N+]([O-])c1cccnc1S(=O)(=O)NCC[C@@H]1CSc2ccccc2O1	ZINC000594791932	532530712	/nfs/dbraw/zinc/53/07/12/532530712.db2.gz	AKEDYYHINXNSAJ-LLVKDONJSA-N	0	1	381.435	2.212	20	5		GEBDMN
COC(=O)c1ccc(CNCCn2cc([N+](=O)[O-])cn2)c(Br)c1	ZINC000284525617	532599518	/nfs/dbraw/zinc/59/95/18/532599518.db2.gz	ZPLDHTTYJYNCDO-UHFFFAOYSA-N	0	1	383.202	2.130	20	5		GEBDMN
CCN1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])ccc3Br)[C@H]2C1	ZINC000297905537	532611469	/nfs/dbraw/zinc/61/14/69/532611469.db2.gz	RHEKBXZLXGFCJC-LSDHHAIUSA-N	0	1	398.257	2.293	20	5		GEBDMN
CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H](O)c1cccc(Br)c1	ZINC000298473250	532652491	/nfs/dbraw/zinc/65/24/91/532652491.db2.gz	SJTYMYLRFOUEGN-OAHLLOKOSA-N	0	1	396.241	2.184	20	5		GEBDMN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCCc3sc(Cl)cc32)n1	ZINC000599312177	532657158	/nfs/dbraw/zinc/65/71/58/532657158.db2.gz	RSDJLQDOBAHASV-QMMMGPOBSA-N	0	1	376.847	2.399	20	5		GEBDMN
O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H](c2nc[nH]n2)C1	ZINC000378053586	532677167	/nfs/dbraw/zinc/67/71/67/532677167.db2.gz	QRCFKBHSGMQJRE-VIFPVBQESA-N	0	1	380.202	2.495	20	5		GEBDMN
Cn1cc2c(n1)CCC[C@H]2NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000285762087	532705383	/nfs/dbraw/zinc/70/53/83/532705383.db2.gz	WDFAXJROCHVRRC-GFCCVEGCSA-N	0	1	388.808	2.477	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCCCOC2CCOCC2)c1	ZINC000286034303	532725418	/nfs/dbraw/zinc/72/54/18/532725418.db2.gz	QAKQASGHFCKHNU-UHFFFAOYSA-N	0	1	396.824	2.251	20	5		GEBDMN
CN(C)CCNS(=O)(=O)c1ccc(NCc2cccs2)c([N+](=O)[O-])c1	ZINC000301242854	532745868	/nfs/dbraw/zinc/74/58/68/532745868.db2.gz	URPRYAGZNVRFDR-UHFFFAOYSA-N	0	1	384.483	2.108	20	5		GEBDMN
O=[N+]([O-])c1cnc(N2CCC[C@H]2CN2CCC[C@@H]2CO)c(Br)c1	ZINC000301560292	532755277	/nfs/dbraw/zinc/75/52/77/532755277.db2.gz	KDILMMHOXQMRGD-NWDGAFQWSA-N	0	1	385.262	2.178	20	5		GEBDMN
COCCN1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1	ZINC000269265832	532777961	/nfs/dbraw/zinc/77/79/61/532777961.db2.gz	JSKOMMJXZWWFCF-UHFFFAOYSA-N	0	1	386.246	2.152	20	5		GEBDMN
Cc1nc(CN2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)n[nH]1	ZINC000301998663	532763900	/nfs/dbraw/zinc/76/39/00/532763900.db2.gz	QQCFKMOEFHQCOB-UHFFFAOYSA-N	0	1	381.234	2.106	20	5		GEBDMN
CC(C)NC(=O)[C@H](C)NCc1cc(I)cc([N+](=O)[O-])c1	ZINC000414538273	532831433	/nfs/dbraw/zinc/83/14/33/532831433.db2.gz	AVUBJIGXBSCECD-VIFPVBQESA-N	0	1	391.209	2.202	20	5		GEBDMN
CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1C[C@@H]1c1nc[nH]n1)c1ccccc1[N+](=O)[O-]	ZINC000359898289	212123562	/nfs/dbraw/zinc/12/35/62/212123562.db2.gz	MUFBBFLWAYFZKA-MJBXVCDLSA-N	0	1	387.396	2.016	20	5		GEBDMN
CCc1[nH]nc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c1Br	ZINC000331968595	532847153	/nfs/dbraw/zinc/84/71/53/532847153.db2.gz	LLFXGLZFVDMWBB-UHFFFAOYSA-N	0	1	380.202	2.236	20	5		GEBDMN
Cc1nc([C@@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)n[nH]1	ZINC000289835985	532865778	/nfs/dbraw/zinc/86/57/78/532865778.db2.gz	LLMFQSGHESZDIU-RXMQYKEDSA-N	0	1	380.213	2.368	20	5		GEBDMN
COCc1nc(CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cs1	ZINC000290184994	532874358	/nfs/dbraw/zinc/87/43/58/532874358.db2.gz	RIKAQVZBZKOVSA-UHFFFAOYSA-N	0	1	395.821	2.469	20	5		GEBDMN
Cc1c(Cl)cc(S(=O)(=O)N2CCC(c3nc[nH]n3)CC2)cc1[N+](=O)[O-]	ZINC000365889486	532912819	/nfs/dbraw/zinc/91/28/19/532912819.db2.gz	CORPVRMWEBJPSJ-UHFFFAOYSA-N	0	1	385.833	2.243	20	5		GEBDMN
Cc1nnc2n1CCC[C@H]2NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000367230018	532923661	/nfs/dbraw/zinc/92/36/61/532923661.db2.gz	HJLRYVFIAKTHGG-SNVBAGLBSA-N	0	1	389.796	2.101	20	5		GEBDMN
C[C@H](N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cccc([N+](=O)[O-])c1	ZINC000736132921	598960876	/nfs/dbraw/zinc/96/08/76/598960876.db2.gz	PPGGJALURZNSSE-YVEFUNNKSA-N	0	1	393.407	2.231	20	5		GEBDMN
C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[nH]n2)c1	ZINC000820409909	599386115	/nfs/dbraw/zinc/38/61/15/599386115.db2.gz	BXRQFZNEKFVHBA-NEPJUHHUSA-N	0	1	381.396	2.453	20	5		GEBDMN
C[C@H](NC(=O)c1ccc(NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000736656347	599762723	/nfs/dbraw/zinc/76/27/23/599762723.db2.gz	JZOZXVRLXNGHLW-MJBXVCDLSA-N	0	1	392.456	2.473	20	5		GEBDMN
CCOc1ccc(NC(=O)C[NH+]2CCC3(C[C@@H]3C(=O)[O-])CC2)c([N+](=O)[O-])c1	ZINC000737203446	600311649	/nfs/dbraw/zinc/31/16/49/600311649.db2.gz	MWWNMPWOWYWIPW-CYBMUJFWSA-N	0	1	377.397	2.119	20	5		GEBDMN
CC[C@@H]1CCCC[N@H+]1CCNc1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000736942247	600637562	/nfs/dbraw/zinc/63/75/62/600637562.db2.gz	SKASLHSRVZRHDN-UKRRQHHQSA-N	0	1	392.456	2.474	20	5		GEBDMN
C[C@@H](NC(=O)c1ccc(N(C)CC[C@@H]2CCCC[N@H+]2C)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827694421	600820881	/nfs/dbraw/zinc/82/08/81/600820881.db2.gz	FPLUYSZRHDXZJO-HIFRSBDPSA-N	0	1	392.456	2.108	20	5		GEBDMN
CC(C)C[C@H](NC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C(=O)[O-]	ZINC000826786406	600849022	/nfs/dbraw/zinc/84/90/22/600849022.db2.gz	NIAHFXKPFYBKLX-KRWDZBQOSA-N	0	1	393.440	2.054	20	5		GEBDMN
O=C([O-])[C@@]1(NC(=O)c2ccccc2[N+](=O)[O-])CCC[N@@H+](Cc2ccccc2)C1	ZINC000833128455	601741298	/nfs/dbraw/zinc/74/12/98/601741298.db2.gz	GSAGPTXUUKQYGO-HXUWFJFHSA-N	0	1	383.404	2.444	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc(Cl)cc2F)c1-c1nn[nH]n1	ZINC000826500200	607579408	/nfs/dbraw/zinc/57/94/08/607579408.db2.gz	ODPWHZHMMGSGHK-UHFFFAOYSA-N	0	1	399.747	2.335	20	5		GEBDMN
CCCCN([C@H](C)CC)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000825282163	607586855	/nfs/dbraw/zinc/58/68/55/607586855.db2.gz	OZOSYJYYJPTMMD-LLVKDONJSA-N	0	1	382.446	2.364	20	5		GEBDMN
C[C@@H](NC(=O)[O-])[C@@H]1CCCC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21	ZINC000739010542	602991366	/nfs/dbraw/zinc/99/13/66/602991366.db2.gz	OHKRRNMCWYGXHZ-OCCSQVGLSA-N	0	1	392.412	2.403	20	5		GEBDMN
CC(C)N(c1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000824297388	607606781	/nfs/dbraw/zinc/60/67/81/607606781.db2.gz	VMLXTIBODHQNLG-UHFFFAOYSA-N	0	1	388.409	2.379	20	5		GEBDMN
Cc1ccc2c(n1)c(=O)c(-c1nn[nH]n1)cn2Cc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000826295127	607715244	/nfs/dbraw/zinc/71/52/44/607715244.db2.gz	SGJYXKWFZHGLOM-UHFFFAOYSA-N	0	1	397.782	2.495	20	5		GEBDMN
C[C@@H]1[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])CC[N@H+]1C	ZINC000833590083	604839139	/nfs/dbraw/zinc/83/91/39/604839139.db2.gz	ZEHUXSBLDAXRIN-NEPJUHHUSA-N	0	1	381.454	2.326	20	5		GEBDMN
C[C@@H]1[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])CC[N@@H+]1C	ZINC000833590083	604839143	/nfs/dbraw/zinc/83/91/43/604839143.db2.gz	ZEHUXSBLDAXRIN-NEPJUHHUSA-N	0	1	381.454	2.326	20	5		GEBDMN
C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-]	ZINC000833635249	605021258	/nfs/dbraw/zinc/02/12/58/605021258.db2.gz	RDNSLQNGIIPFAG-JSGCOSHPSA-N	0	1	393.465	2.470	20	5		GEBDMN
C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@@H]1C	ZINC000833539978	605163304	/nfs/dbraw/zinc/16/33/04/605163304.db2.gz	QSOMOTLIRHVNKB-RYUDHWBXSA-N	0	1	399.831	2.023	20	5		GEBDMN
C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@H]1C	ZINC000833539980	605163584	/nfs/dbraw/zinc/16/35/84/605163584.db2.gz	QSOMOTLIRHVNKB-VXGBXAGGSA-N	0	1	399.831	2.023	20	5		GEBDMN
COC(=O)c1cc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc(C(=O)[O-])c1	ZINC000833712567	605200437	/nfs/dbraw/zinc/20/04/37/605200437.db2.gz	IIOVZNWQTXCAJH-UHFFFAOYSA-N	0	1	399.403	2.402	20	5		GEBDMN
O=C([O-])N[C@@H]1CCC[C@H]2C[N@@H+](Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@H]21	ZINC000834183594	605328459	/nfs/dbraw/zinc/32/84/59/605328459.db2.gz	PNSFXVIVAILIRL-NUEKZKHPSA-N	0	1	386.412	2.179	20	5		GEBDMN
O=C([O-])N[C@@H]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]21	ZINC000834178249	605442494	/nfs/dbraw/zinc/44/24/94/605442494.db2.gz	DOBHYKXDJDADML-MELADBBJSA-N	0	1	376.413	2.292	20	5		GEBDMN
O=C([O-])N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000834024585	605515270	/nfs/dbraw/zinc/51/52/70/605515270.db2.gz	FCJLDABXQLQTOG-NVXWUHKLSA-N	0	1	390.440	2.065	20	5		GEBDMN
C[C@@H]1CN(C(C)(C)CNc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)C[C@@H](C)O1	ZINC000820742889	606644728	/nfs/dbraw/zinc/64/47/28/606644728.db2.gz	NGMJWDKIGZKBHO-VXGBXAGGSA-N	0	1	375.433	2.075	20	5		GEBDMN
CCC[C@H]1[C@@H](C)CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000821034705	606736401	/nfs/dbraw/zinc/73/64/01/606736401.db2.gz	RPNNXLCNRXZHKD-RYUDHWBXSA-N	0	1	394.457	2.364	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000823620704	607167664	/nfs/dbraw/zinc/16/76/64/607167664.db2.gz	OOUDTJFUWQJBHE-CQSZACIVSA-N	0	1	380.412	2.246	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000823620704	607167665	/nfs/dbraw/zinc/16/76/65/607167665.db2.gz	OOUDTJFUWQJBHE-CQSZACIVSA-N	0	1	380.412	2.246	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000823620704	607167666	/nfs/dbraw/zinc/16/76/66/607167666.db2.gz	OOUDTJFUWQJBHE-CQSZACIVSA-N	0	1	380.412	2.246	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000823620704	607167667	/nfs/dbraw/zinc/16/76/67/607167667.db2.gz	OOUDTJFUWQJBHE-CQSZACIVSA-N	0	1	380.412	2.246	20	5		GEBDMN
O=C(NCc1cccc(-c2ccc(-c3nn[nH]n3)s2)c1)c1n[nH]cc1[N+](=O)[O-]	ZINC000826442065	608165444	/nfs/dbraw/zinc/16/54/44/608165444.db2.gz	HXTWTPDDLMWVJS-UHFFFAOYSA-N	0	1	396.392	2.157	20	5		GEBDMN
C[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)cc1	ZINC000824553603	608464726	/nfs/dbraw/zinc/46/47/26/608464726.db2.gz	DKGOVDWSJHRFBQ-GFCCVEGCSA-N	0	1	381.396	2.089	20	5		GEBDMN
CN(C(=O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccc([N+](=O)[O-])cc1	ZINC000825817863	608532370	/nfs/dbraw/zinc/53/23/70/608532370.db2.gz	QXHWEZJLDGHMSA-UHFFFAOYSA-N	0	1	393.407	2.017	20	5		GEBDMN
Cc1ccc([C@H](C)NCC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-]	ZINC000826283327	608554301	/nfs/dbraw/zinc/55/43/01/608554301.db2.gz	ORPAQHAJBRVQBP-LBPRGKRZSA-N	0	1	381.396	2.373	20	5		GEBDMN
CO[C@H]1COCC[C@H]1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000451774374	650141151	/nfs/dbraw/zinc/14/11/51/650141151.db2.gz	NDBUXPGDAKBJIY-UFBFGSQYSA-N	0	1	399.252	2.231	20	5		GEBDMN
CC(C)c1nc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)n[nH]1	ZINC000452422199	650185650	/nfs/dbraw/zinc/18/56/50/650185650.db2.gz	GFYJRGLOCYQXKZ-UHFFFAOYSA-N	0	1	382.218	2.458	20	5		GEBDMN
O=C(NCc1nc2cc(Br)cnc2[nH]1)c1cc(O)cc([N+](=O)[O-])c1	ZINC000506651318	650448393	/nfs/dbraw/zinc/44/83/93/650448393.db2.gz	HXCNPNRJTYMPSV-UHFFFAOYSA-N	0	1	392.169	2.264	20	5		GEBDMN
CC(C)(C)[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(N)=O	ZINC000462277070	650473328	/nfs/dbraw/zinc/47/33/28/650473328.db2.gz	ZTSJWSIEFHVTBF-JTQLQIEISA-N	0	1	384.241	2.080	20	5		GEBDMN
CN(C)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)Cc2ccccc2C1	ZINC000462315783	650475069	/nfs/dbraw/zinc/47/50/69/650475069.db2.gz	LCPZXVMXFMXOKT-UHFFFAOYSA-N	0	1	381.479	2.034	20	5		GEBDMN
COC(=O)[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C)c1ccsc1	ZINC000493970024	650799851	/nfs/dbraw/zinc/79/98/51/650799851.db2.gz	PYIOAVZVYZMRKJ-CQSZACIVSA-N	0	1	384.435	2.466	20	5		GEBDMN
CS(=O)(=O)N[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1	ZINC000093530848	643077586	/nfs/dbraw/zinc/07/75/86/643077586.db2.gz	LOKZDOLSYIHQSP-CYBMUJFWSA-N	0	1	381.479	2.447	20	5		GEBDMN
O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNCc1ccc(Cl)s1	ZINC000116922386	643477104	/nfs/dbraw/zinc/47/71/04/643477104.db2.gz	CYMOEBWJPZPZAT-UHFFFAOYSA-N	0	1	375.859	2.378	20	5		GEBDMN
CCn1nnnc1-c1cccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1	ZINC000120260619	643596512	/nfs/dbraw/zinc/59/65/12/643596512.db2.gz	BUZQLUBJHDVKTA-UHFFFAOYSA-N	0	1	380.411	2.131	20	5		GEBDMN
CN1CCN([C@H]2CCCCN(c3ncc(Br)cc3[N+](=O)[O-])C2)CC1	ZINC000127053577	643757418	/nfs/dbraw/zinc/75/74/18/643757418.db2.gz	SVWGMZHAXAFHOU-AWEZNQCLSA-N	0	1	398.305	2.359	20	5		GEBDMN
CN1CCN([C@@H]2CCCCN(c3ncc(Br)cc3[N+](=O)[O-])C2)CC1	ZINC000127053325	643757515	/nfs/dbraw/zinc/75/75/15/643757515.db2.gz	SVWGMZHAXAFHOU-CQSZACIVSA-N	0	1	398.305	2.359	20	5		GEBDMN
O=[N+]([O-])c1ccc(CNCCNS(=O)(=O)c2ccc(Cl)s2)cc1	ZINC000127789509	643785512	/nfs/dbraw/zinc/78/55/12/643785512.db2.gz	CNUBOQJYKRLEOT-UHFFFAOYSA-N	0	1	375.859	2.378	20	5		GEBDMN
O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCN(C2CCOCC2)CC1	ZINC000154145612	644021443	/nfs/dbraw/zinc/02/14/43/644021443.db2.gz	WJTIJXLDTVANDJ-UHFFFAOYSA-N	0	1	398.257	2.294	20	5		GEBDMN
CCn1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)cn1	ZINC000174287862	644372212	/nfs/dbraw/zinc/37/22/12/644372212.db2.gz	GEWDGPVPOCTMJM-UHFFFAOYSA-N	0	1	375.204	2.375	20	5		GEBDMN
O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000182898280	644973167	/nfs/dbraw/zinc/97/31/67/644973167.db2.gz	VNQYWGALDAMMHX-JTQLQIEISA-N	0	1	384.179	2.160	20	5		GEBDMN
CC(C)C[C@@](C)(C[NH3+])[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000236721920	645418596	/nfs/dbraw/zinc/41/85/96/645418596.db2.gz	CAMWKRAVGPIVCS-ZDUSSCGKSA-N	0	1	394.291	2.399	20	5		GEBDMN
CCC[N@@H+](CC(=O)[O-])Cc1cc(I)cc([N+](=O)[O-])c1	ZINC000263431703	645664877	/nfs/dbraw/zinc/66/48/77/645664877.db2.gz	SJDGVCQEWWHXHZ-UHFFFAOYSA-N	0	1	378.166	2.496	20	5		GEBDMN
COCCN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1	ZINC000265834583	645805737	/nfs/dbraw/zinc/80/57/37/645805737.db2.gz	UAZNLXAEKXZLRQ-UHFFFAOYSA-N	0	1	386.246	2.152	20	5		GEBDMN
CCN(Cc1ccccc1Br)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000266536740	645848211	/nfs/dbraw/zinc/84/82/11/645848211.db2.gz	OQMFZFGWFVFTOV-AWEZNQCLSA-N	0	1	383.246	2.437	20	5		GEBDMN
CN(C)C[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000269485782	646039672	/nfs/dbraw/zinc/03/96/72/646039672.db2.gz	MUXOZZNMURKARC-NSHDSACASA-N	0	1	381.376	2.328	20	5		GEBDMN
CC[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H](O)C(F)(F)F	ZINC000270871969	646145627	/nfs/dbraw/zinc/14/56/27/646145627.db2.gz	UARAVPACTRZDPD-XVKPBYJWSA-N	0	1	376.740	2.228	20	5		GEBDMN
Cc1n[nH]c(CCNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)n1	ZINC000280874142	646727533	/nfs/dbraw/zinc/72/75/33/646727533.db2.gz	ZCSZVDMJOBGYNF-UHFFFAOYSA-N	0	1	383.206	2.456	20	5		GEBDMN
CS[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C[C@H]1N1CCCC1	ZINC000332071297	647410100	/nfs/dbraw/zinc/41/01/00/647410100.db2.gz	CIAPATSDTNQIDC-HUUCEWRRSA-N	0	1	385.511	2.104	20	5		GEBDMN
CCc1[nH]nc(C(=O)N2CCC(n3cc(Br)cn3)CC2)c1[N+](=O)[O-]	ZINC000369142316	647769835	/nfs/dbraw/zinc/76/98/35/647769835.db2.gz	DBIXOPIZSQYPRY-UHFFFAOYSA-N	0	1	397.233	2.317	20	5		GEBDMN
COc1ccc(S(=O)(=O)Nc2ccc(OC(F)F)nc2)cc1[N+](=O)[O-]	ZINC000549934906	651103557	/nfs/dbraw/zinc/10/35/57/651103557.db2.gz	NBOMPNINDKXZBK-UHFFFAOYSA-N	0	1	375.309	2.401	20	5		GEBDMN
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H](CO)c1cc(F)ccc1F	ZINC000611019581	651700608	/nfs/dbraw/zinc/70/06/08/651700608.db2.gz	OPZUUOSLAHKQQA-GFCCVEGCSA-N	0	1	376.312	2.024	20	5		GEBDMN
CSc1cc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccn1	ZINC000611231503	651714861	/nfs/dbraw/zinc/71/48/61/651714861.db2.gz	QTUCGJPNDHVSIF-UHFFFAOYSA-N	0	1	383.407	2.284	20	5		GEBDMN
CCN(CC)C(=O)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000742282119	651972600	/nfs/dbraw/zinc/97/26/00/651972600.db2.gz	MADJNACVXBZHRZ-UHFFFAOYSA-N	0	1	384.241	2.048	20	5		GEBDMN
CN(CCN1CCCC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000742290392	651974247	/nfs/dbraw/zinc/97/42/47/651974247.db2.gz	NZWBXRKKTZZLQW-UHFFFAOYSA-N	0	1	392.275	2.074	20	5		GEBDMN
Cn1c(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])nc2cccc(Cl)c21	ZINC000580268738	652373306	/nfs/dbraw/zinc/37/33/06/652373306.db2.gz	QBJMVGLZFOZGKP-UHFFFAOYSA-N	0	1	381.801	2.008	20	5		GEBDMN
O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H](N2CC[C@@H](O)C2)C1	ZINC000588864055	652557171	/nfs/dbraw/zinc/55/71/71/652557171.db2.gz	YMCDTXSHJHDKST-QWHCGFSZSA-N	0	1	385.873	2.008	20	5		GEBDMN
CCn1cc(S(=O)(=O)NCC(F)(F)c2cccc(F)c2)c([N+](=O)[O-])n1	ZINC000594816852	652687239	/nfs/dbraw/zinc/68/72/39/652687239.db2.gz	ICQJWIUUXBRSCQ-UHFFFAOYSA-N	0	1	378.332	2.021	20	5		GEBDMN
O=C(NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1n[nH]cc1[N+](=O)[O-]	ZINC000764074202	652784267	/nfs/dbraw/zinc/78/42/67/652784267.db2.gz	FQSCQWNSUVVLKP-LBPRGKRZSA-N	0	1	378.694	2.151	20	5		GEBDMN
CC(C)[C@@H]1CNCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000599101445	652849659	/nfs/dbraw/zinc/84/96/59/652849659.db2.gz	JTHVHOCQGAHICN-LBPRGKRZSA-N	0	1	381.376	2.232	20	5		GEBDMN
CC1(N2CCOCC2)CCN(c2ncc([N+](=O)[O-])cc2Br)CC1	ZINC000599161478	652851864	/nfs/dbraw/zinc/85/18/64/652851864.db2.gz	YFIFKAYMHJOHSM-UHFFFAOYSA-N	0	1	385.262	2.443	20	5		GEBDMN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(C)(C)c2cccc(Cl)c2F)n1	ZINC000599281145	652858699	/nfs/dbraw/zinc/85/86/99/652858699.db2.gz	HEPQNOGZNNIEGO-UHFFFAOYSA-N	0	1	376.797	2.334	20	5		GEBDMN
COCCO[C@@H]1COCC[C@@H]1NCc1cc(Br)c([N+](=O)[O-])s1	ZINC000602621285	653195131	/nfs/dbraw/zinc/19/51/31/653195131.db2.gz	CPVAHKFPYWJBSP-NWDGAFQWSA-N	0	1	395.275	2.329	20	5		GEBDMN
CCO[C@H](CC[NH+](C)C)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000809825868	653303482	/nfs/dbraw/zinc/30/34/82/653303482.db2.gz	USDFMQPQHQKJND-SNVBAGLBSA-N	0	1	397.856	2.022	20	5		GEBDMN
O=c1ccc(NS(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])c[nH]1	ZINC000811725234	653403988	/nfs/dbraw/zinc/40/39/88/653403988.db2.gz	LDRXRBVTCXRYMC-UHFFFAOYSA-N	0	1	392.162	2.398	20	5		GEBDMN
CCn1cc(S(=O)(=O)Nc2cc(C)cnc2Br)c([N+](=O)[O-])n1	ZINC000812327278	653422728	/nfs/dbraw/zinc/42/27/28/653422728.db2.gz	HNUBSPBHKDYDOI-UHFFFAOYSA-N	0	1	390.219	2.078	20	5		GEBDMN
COC(=O)c1ccc(CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])o1	ZINC000815012976	653643462	/nfs/dbraw/zinc/64/34/62/653643462.db2.gz	JYFRGTRVYASFSA-UHFFFAOYSA-N	0	1	392.748	2.245	20	5		GEBDMN
CN(C)c1nc(CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])cs1	ZINC000815021352	653644604	/nfs/dbraw/zinc/64/46/04/653644604.db2.gz	FLQGSUCBPLODEZ-UHFFFAOYSA-N	0	1	394.837	2.388	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NCc1nccn1C(F)F	ZINC000815021426	653644701	/nfs/dbraw/zinc/64/47/01/653644701.db2.gz	OGASBVWYSSBTAD-UHFFFAOYSA-N	0	1	384.723	2.457	20	5		GEBDMN
Cc1ccc(S(=O)(=O)NCCN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1	ZINC000815597070	653662039	/nfs/dbraw/zinc/66/20/39/653662039.db2.gz	LPGBEUGVQRROCX-NSHDSACASA-N	0	1	384.483	2.176	20	5		GEBDMN
CN(C[C@H]1CCCN1C)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000817150611	653704456	/nfs/dbraw/zinc/70/44/56/653704456.db2.gz	MEBFJQMIFNMUDC-SNVBAGLBSA-N	0	1	392.275	2.072	20	5		GEBDMN
COC(=O)c1cc(Br)cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1Cl	ZINC000841158320	653708383	/nfs/dbraw/zinc/70/83/83/653708383.db2.gz	SLBRHBNWSUUOMR-HZGVNTEJSA-N	0	1	377.578	2.493	20	5		GEBDMN
CC(C)n1ncnc1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000841519835	653726028	/nfs/dbraw/zinc/72/60/28/653726028.db2.gz	AFCXOEZOGYHLCS-UHFFFAOYSA-N	0	1	377.785	2.038	20	5		GEBDMN
CNS(=O)(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1O	ZINC000788166692	653751554	/nfs/dbraw/zinc/75/15/54/653751554.db2.gz	KVKIYSQYPVJYOQ-UHFFFAOYSA-N	0	1	385.785	2.114	20	5		GEBDMN
CO[C@@H](CS(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCOCC1	ZINC000842572764	653759694	/nfs/dbraw/zinc/75/96/94/653759694.db2.gz	ALUVCBIPHPULJH-AWEZNQCLSA-N	0	1	378.834	2.432	20	5		GEBDMN
O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@H](c3nc[nH]n3)C2)c(Cl)cc1Cl	ZINC000819910395	653762100	/nfs/dbraw/zinc/76/21/00/653762100.db2.gz	AEEDMKWWULAIEU-ZETCQYMHSA-N	0	1	392.224	2.198	20	5		GEBDMN
C[C@H]1[C@H](N(C)C)CCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-]	ZINC000820595634	653777511	/nfs/dbraw/zinc/77/75/11/653777511.db2.gz	OCTPJQULNGSZEF-GXSJLCMTSA-N	0	1	381.376	2.417	20	5		GEBDMN
O=C(Nc1nc(Br)ccc1O)c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000790046666	653785843	/nfs/dbraw/zinc/78/58/43/653785843.db2.gz	LBUFGVVMZVFTKV-UHFFFAOYSA-N	0	1	382.126	2.439	20	5		GEBDMN
Cc1c(Br)cc(C(=O)N[C@H](C)[C@H]2CN(C)CCN2C)cc1[N+](=O)[O-]	ZINC000896553783	653885009	/nfs/dbraw/zinc/88/50/09/653885009.db2.gz	VHCXJBQEPHKMQN-IAQYHMDHSA-N	0	1	399.289	2.030	20	5		GEBDMN
NC(=O)c1ccc(F)c(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c1	ZINC000795333044	653946011	/nfs/dbraw/zinc/94/60/11/653946011.db2.gz	XVFRLPQURHAIOR-UHFFFAOYSA-N	0	1	391.739	2.426	20	5		GEBDMN
Cc1cc(CNS(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])no1	ZINC000795806044	653967687	/nfs/dbraw/zinc/96/76/87/653967687.db2.gz	RKWXICFFFQZLGO-UHFFFAOYSA-N	0	1	394.178	2.271	20	5		GEBDMN
COC(=O)C1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1	ZINC000795825467	653968721	/nfs/dbraw/zinc/96/87/21/653968721.db2.gz	SGJFVRUPDOGRIA-UHFFFAOYSA-N	0	1	394.808	2.397	20	5		GEBDMN
COC(=O)[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(C)(C)C	ZINC000795843962	653969952	/nfs/dbraw/zinc/96/99/52/653969952.db2.gz	PLEJRRLTVMKETC-LLVKDONJSA-N	0	1	382.797	2.253	20	5		GEBDMN
C[NH+](C)[C@@]1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CCSC1	ZINC000795872462	653973320	/nfs/dbraw/zinc/97/33/20/653973320.db2.gz	HVBKJTRFAUYGAX-CYBMUJFWSA-N	0	1	397.881	2.103	20	5		GEBDMN
CCOC(=O)C[C@@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000795902912	653976525	/nfs/dbraw/zinc/97/65/25/653976525.db2.gz	SKKIKNVGAVTPQJ-MRVPVSSYSA-N	0	1	382.797	2.255	20	5		GEBDMN
CCOC(=O)C[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000795902914	653976612	/nfs/dbraw/zinc/97/66/12/653976612.db2.gz	SKKIKNVGAVTPQJ-QMMMGPOBSA-N	0	1	382.797	2.255	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@H](CCO)c2ccco2)c1	ZINC000795931004	653978084	/nfs/dbraw/zinc/97/80/84/653978084.db2.gz	VJTQXXHGDQQEKQ-SNVBAGLBSA-N	0	1	378.765	2.382	20	5		GEBDMN
Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1cnc[nH]1	ZINC000849406782	654025278	/nfs/dbraw/zinc/02/52/78/654025278.db2.gz	CQRUVJLXANJBCH-UHFFFAOYSA-N	0	1	389.231	2.210	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCCCOC[C@@H]2CCCO2)c1	ZINC000798224902	654054649	/nfs/dbraw/zinc/05/46/49/654054649.db2.gz	MMADLKZFGVEPGQ-NSHDSACASA-N	0	1	396.824	2.251	20	5		GEBDMN
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N[C@H](CO)CC(F)(F)F)c1Cl	ZINC000830958706	654152634	/nfs/dbraw/zinc/15/26/34/654152634.db2.gz	WTQYORLJRVUHNI-YFKPBYRVSA-N	0	1	397.158	2.493	20	5		GEBDMN
Cc1cc(Cl)c(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)cc1[N+](=O)[O-]	ZINC000831122080	654165488	/nfs/dbraw/zinc/16/54/88/654165488.db2.gz	UDVXCSCRYZNLOG-UHFFFAOYSA-N	0	1	379.722	2.307	20	5		GEBDMN
COc1cc(C)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164864044	721080131	/nfs/dbraw/zinc/08/01/31/721080131.db2.gz	DQLQMKIEWXHFJA-SJORKVTESA-N	0	1	399.451	2.182	20	5		GEBDMN
Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)n1	ZINC001164764268	721090582	/nfs/dbraw/zinc/09/05/82/721090582.db2.gz	HCWQTRJGSAVCQD-KGLIPLIRSA-N	0	1	391.863	2.038	20	5		GEBDMN
Cn1cc(CN2CC[C@@H]3CN(c4cc([N+](=O)[O-])c5cc[nH]c5n4)C[C@@H]3C2)cn1	ZINC001164771830	721170061	/nfs/dbraw/zinc/17/00/61/721170061.db2.gz	RCESHAQWMWMFDE-CABCVRRESA-N	0	1	381.440	2.163	20	5		GEBDMN
CN(C)C(=O)CN1CCC2(CCCN2c2ncc([N+](=O)[O-])cc2Cl)CC1	ZINC001165008814	721730003	/nfs/dbraw/zinc/73/00/03/721730003.db2.gz	RMULSZACBJNTMM-UHFFFAOYSA-N	0	1	381.864	2.166	20	5		GEBDMN
Nc1nc(NCc2n[nH]c(-c3ccc(Br)cc3)n2)ncc1[N+](=O)[O-]	ZINC000524412202	531276033	/nfs/dbraw/zinc/27/60/33/531276033.db2.gz	RCKJYUBKWOGCAS-UHFFFAOYSA-N	0	1	391.189	2.127	20	5		GEBDMN
Nc1nc(NCc2nc(-c3ccc(Br)cc3)n[nH]2)ncc1[N+](=O)[O-]	ZINC000524412202	531276038	/nfs/dbraw/zinc/27/60/38/531276038.db2.gz	RCKJYUBKWOGCAS-UHFFFAOYSA-N	0	1	391.189	2.127	20	5		GEBDMN
O=C(CN1CCN(CC2CC2)CC1)Nc1ccc([N+](=O)[O-])cc1Br	ZINC000053236823	531758787	/nfs/dbraw/zinc/75/87/87/531758787.db2.gz	XJRNEMQYSKNTBJ-UHFFFAOYSA-N	0	1	397.273	2.323	20	5		GEBDMN
Cc1c(Br)cc(C(=O)N[C@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-]	ZINC000122194981	532061131	/nfs/dbraw/zinc/06/11/31/532061131.db2.gz	VGAXHLJOHGHYRB-LLVKDONJSA-N	0	1	399.289	2.031	20	5		GEBDMN
CN(Cc1csc(Br)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000174752371	532076960	/nfs/dbraw/zinc/07/69/60/532076960.db2.gz	GBVFVTUESHWLSY-NSHDSACASA-N	0	1	375.248	2.108	20	5		GEBDMN
CNC(=O)c1cccc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1	ZINC000146716386	532298944	/nfs/dbraw/zinc/29/89/44/532298944.db2.gz	SORLIIKBNNTGRJ-UHFFFAOYSA-N	0	1	383.813	2.086	20	5		GEBDMN
CCc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2I)n[nH]1	ZINC000182262034	532311094	/nfs/dbraw/zinc/31/10/94/532311094.db2.gz	ASYGYMLMIPXQRN-UHFFFAOYSA-N	0	1	387.137	2.132	20	5		GEBDMN
CCc1n[nH]c(NC(=O)c2ccc([N+](=O)[O-])cc2I)n1	ZINC000182262034	532311097	/nfs/dbraw/zinc/31/10/97/532311097.db2.gz	ASYGYMLMIPXQRN-UHFFFAOYSA-N	0	1	387.137	2.132	20	5		GEBDMN
CN(CCN(C)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1	ZINC000185234836	532337344	/nfs/dbraw/zinc/33/73/44/532337344.db2.gz	UFJZHYOWGSAIBG-UHFFFAOYSA-N	0	1	392.275	2.072	20	5		GEBDMN
C[C@@H]1C[N@H+](CCC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCO1	ZINC000277995423	532368655	/nfs/dbraw/zinc/36/86/55/532368655.db2.gz	UVQGPZNPACRSQR-GFCCVEGCSA-N	0	1	391.877	2.027	20	5		GEBDMN
C[C@@H]1C[N@@H+](CCC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCO1	ZINC000277995423	532368661	/nfs/dbraw/zinc/36/86/61/532368661.db2.gz	UVQGPZNPACRSQR-GFCCVEGCSA-N	0	1	391.877	2.027	20	5		GEBDMN
CC[C@](C)(NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(F)(F)F	ZINC000558702414	532396953	/nfs/dbraw/zinc/39/69/53/532396953.db2.gz	RNDSWLQOACSBRU-LBPRGKRZSA-N	0	1	384.332	2.375	20	5		GEBDMN
CO[C@H](CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(F)(F)F	ZINC000469206263	532495275	/nfs/dbraw/zinc/49/52/75/532495275.db2.gz	CUWDDMVBCOIFIC-SECBINFHSA-N	0	1	376.740	2.494	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCCC[C@@H]2c2nnc[nH]2)cc1Cl	ZINC000296286778	532511882	/nfs/dbraw/zinc/51/18/82/532511882.db2.gz	RJHPWFYWVOPODO-SNVBAGLBSA-N	0	1	389.796	2.421	20	5		GEBDMN
COc1cc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])on1	ZINC000595344214	532557593	/nfs/dbraw/zinc/55/75/93/532557593.db2.gz	BPGFAOHJPYYFHI-UHFFFAOYSA-N	0	1	381.288	2.089	20	5		GEBDMN
CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@H](O)c1cccc(Br)c1	ZINC000298473246	532652742	/nfs/dbraw/zinc/65/27/42/532652742.db2.gz	SJTYMYLRFOUEGN-HNNXBMFYSA-N	0	1	396.241	2.184	20	5		GEBDMN
CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599236596	532654701	/nfs/dbraw/zinc/65/47/01/532654701.db2.gz	DCECQHXTJUWMPN-TVQRCGJNSA-N	0	1	388.833	2.036	20	5		GEBDMN
C[C@@H]1COCCN1C1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1	ZINC000603401218	532693917	/nfs/dbraw/zinc/69/39/17/532693917.db2.gz	JOQOESMSZKRLBN-LLVKDONJSA-N	0	1	385.262	2.442	20	5		GEBDMN
C[C@H]1COCCN1C1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1	ZINC000603402089	532694626	/nfs/dbraw/zinc/69/46/26/532694626.db2.gz	MFPICBZJLSMADP-NSHDSACASA-N	0	1	385.262	2.442	20	5		GEBDMN
COCCCN(C1CCN(C)CC1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000569293186	532695548	/nfs/dbraw/zinc/69/55/48/532695548.db2.gz	TZHLWHBVZHFXHI-UHFFFAOYSA-N	0	1	391.515	2.086	20	5		GEBDMN
C[C@H]1CN(C2CCN(c3ncc(Br)cc3[N+](=O)[O-])CC2)CCO1	ZINC000301629781	532756257	/nfs/dbraw/zinc/75/62/57/532756257.db2.gz	AZXPFMUTLVSXJE-NSHDSACASA-N	0	1	385.262	2.442	20	5		GEBDMN
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1	ZINC000269151588	532776214	/nfs/dbraw/zinc/77/62/14/532776214.db2.gz	SGEPXHQHYHEASU-YGRLFVJLSA-N	0	1	376.431	2.067	20	5		GEBDMN
O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2C[C@@H](O)C[C@@H]2CO)cc1	ZINC000359974496	212128690	/nfs/dbraw/zinc/12/86/90/212128690.db2.gz	OXHQZHBTZVUOBL-UXHICEINSA-N	0	1	394.431	2.375	20	5		GEBDMN
COC(=O)c1ncsc1S(=O)(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1	ZINC000274116465	532841538	/nfs/dbraw/zinc/84/15/38/532841538.db2.gz	DUVYCDYKVBPMCM-SECBINFHSA-N	0	1	385.423	2.186	20	5		GEBDMN
C[C@H](NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)c1nncn1C	ZINC000289027227	532845059	/nfs/dbraw/zinc/84/50/59/532845059.db2.gz	CXGCCJXVCQNDKI-LURJTMIESA-N	0	1	380.213	2.070	20	5		GEBDMN
C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1C	ZINC000416408197	532876473	/nfs/dbraw/zinc/87/64/73/532876473.db2.gz	OOSBHBWKQZCIAH-MWLCHTKSSA-N	0	1	381.376	2.375	20	5		GEBDMN
C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCN1C	ZINC000290759382	532888600	/nfs/dbraw/zinc/88/86/00/532888600.db2.gz	NJKBXFZCCOUAEK-NXEZZACHSA-N	0	1	379.841	2.491	20	5		GEBDMN
O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCn2c(Br)cnc2C1	ZINC000364855018	532908462	/nfs/dbraw/zinc/90/84/62/532908462.db2.gz	VKBOPWKAUFHZHA-UHFFFAOYSA-N	0	1	391.185	2.086	20	5		GEBDMN
O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC000368849801	532934864	/nfs/dbraw/zinc/93/48/64/532934864.db2.gz	KWKUQLPZYDDANP-ZIAGYGMSSA-N	0	1	396.241	2.291	20	5		GEBDMN
C[C@H](N[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cccc([N+](=O)[O-])c1	ZINC000736132919	598961116	/nfs/dbraw/zinc/96/11/16/598961116.db2.gz	PPGGJALURZNSSE-SJCJKPOMSA-N	0	1	393.407	2.231	20	5		GEBDMN
CC[NH+]1CCN(C[C@H](C)CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000737116200	599854170	/nfs/dbraw/zinc/85/41/70/599854170.db2.gz	OUMLVOQYVMUEBY-KEDPEKRHSA-N	0	1	376.457	2.378	20	5		GEBDMN
C[C@@]1(C(=O)[O-])CC[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1	ZINC000828023894	601912367	/nfs/dbraw/zinc/91/23/67/601912367.db2.gz	DULADMJUVMRTIZ-QGZVFWFLSA-N	0	1	390.421	2.453	20	5		GEBDMN
C[C@@]1(C(=O)[O-])CC[N@@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1	ZINC000828023894	601912371	/nfs/dbraw/zinc/91/23/71/601912371.db2.gz	DULADMJUVMRTIZ-QGZVFWFLSA-N	0	1	390.421	2.453	20	5		GEBDMN
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](N(C)C(=O)[O-])C1	ZINC000739931866	601971702	/nfs/dbraw/zinc/97/17/02/601971702.db2.gz	FLNNPPMEQKGURF-CYBMUJFWSA-N	0	1	380.401	2.006	20	5		GEBDMN
Cc1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)c1C	ZINC000826300078	607576006	/nfs/dbraw/zinc/57/60/06/607576006.db2.gz	HUIWHYFZDXEUSV-UHFFFAOYSA-N	0	1	375.366	2.159	20	5		GEBDMN
CC[C@@H](NC(=O)NCCC[NH+]1CCN(C(=O)[O-])CC1)c1cccc([N+](=O)[O-])c1	ZINC000826613334	603629258	/nfs/dbraw/zinc/62/92/58/603629258.db2.gz	HXZPQTZWRNDACB-MRXNPFEDSA-N	0	1	393.444	2.031	20	5		GEBDMN
CC(C)[C@@H](CC[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)NC(=O)[O-]	ZINC000824099580	603851944	/nfs/dbraw/zinc/85/19/44/603851944.db2.gz	PXVIGAXEGSISAK-OAHLLOKOSA-N	0	1	378.429	2.098	20	5		GEBDMN
CC(C)[C@@H](CC[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)NC(=O)[O-]	ZINC000824099580	603851946	/nfs/dbraw/zinc/85/19/46/603851946.db2.gz	PXVIGAXEGSISAK-OAHLLOKOSA-N	0	1	378.429	2.098	20	5		GEBDMN
CCOc1ccc(NC(=O)C[N@@H+](C)C2CCN(C(=O)[O-])CC2)c([N+](=O)[O-])c1	ZINC000827439717	603987885	/nfs/dbraw/zinc/98/78/85/603987885.db2.gz	QDIGXHWHMMUVJP-UHFFFAOYSA-N	0	1	380.401	2.006	20	5		GEBDMN
CCCc1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)cc1	ZINC000825348501	607667874	/nfs/dbraw/zinc/66/78/74/607667874.db2.gz	NQBIUHXEPGZDJE-UHFFFAOYSA-N	0	1	389.393	2.495	20	5		GEBDMN
CCCC1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCC1	ZINC000825248574	607671086	/nfs/dbraw/zinc/67/10/86/607671086.db2.gz	WGLIRSHRIHYHTG-UHFFFAOYSA-N	0	1	380.430	2.024	20	5		GEBDMN
CC(C)C1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1	ZINC000824213440	607672869	/nfs/dbraw/zinc/67/28/69/607672869.db2.gz	BINDGACBNRMHJT-UHFFFAOYSA-N	0	1	394.457	2.268	20	5		GEBDMN
CC(C)(C(=O)[O-])[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1	ZINC000833417025	604857710	/nfs/dbraw/zinc/85/77/10/604857710.db2.gz	KFFMUKROBDJLPW-SWLSCSKDSA-N	0	1	389.408	2.050	20	5		GEBDMN
CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C1	ZINC000833657679	605007198	/nfs/dbraw/zinc/00/71/98/605007198.db2.gz	NULOUXJSKMRPQK-BXUZGUMPSA-N	0	1	381.454	2.232	20	5		GEBDMN
C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])CC[N@H+]1C	ZINC000833601927	605020887	/nfs/dbraw/zinc/02/08/87/605020887.db2.gz	XQYLULYPERJDCA-NEPJUHHUSA-N	0	1	381.454	2.374	20	5		GEBDMN
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](CCC(=O)[O-])C[C@H]1C	ZINC000833545290	605163738	/nfs/dbraw/zinc/16/37/38/605163738.db2.gz	GFSNAKDFSZAGAT-CHWSQXEVSA-N	0	1	381.454	2.083	20	5		GEBDMN
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@H]1C	ZINC000833545290	605163741	/nfs/dbraw/zinc/16/37/41/605163741.db2.gz	GFSNAKDFSZAGAT-CHWSQXEVSA-N	0	1	381.454	2.083	20	5		GEBDMN
O=C([O-])N[C@@H]1CCC[C@H]2C[N@@H+](Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]21	ZINC000834187154	605323227	/nfs/dbraw/zinc/32/32/27/605323227.db2.gz	YLPQWIGASYMNGG-NUEKZKHPSA-N	0	1	386.412	2.179	20	5		GEBDMN
O=C([O-])N1CCC[C@@H]1[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1	ZINC000834106223	605351283	/nfs/dbraw/zinc/35/12/83/605351283.db2.gz	IUORPALIBKENHD-OWCLPIDISA-N	0	1	393.440	2.189	20	5		GEBDMN
O=C([O-])N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@@H]21	ZINC000834183660	605439119	/nfs/dbraw/zinc/43/91/19/605439119.db2.gz	PRAVVBLVSWFSGZ-XFBWCDHKSA-N	0	1	377.397	2.329	20	5		GEBDMN
C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@@H]2C1	ZINC000833789016	605454891	/nfs/dbraw/zinc/45/48/91/605454891.db2.gz	FUHMMXZJWHAKAN-KOZAUXTDSA-N	0	1	376.413	2.290	20	5		GEBDMN
O=C([O-])N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1	ZINC000834031431	605522567	/nfs/dbraw/zinc/52/25/67/605522567.db2.gz	ZGUSOMVITCCIEA-PBHICJAKSA-N	0	1	390.440	2.065	20	5		GEBDMN
O=C([O-])N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1	ZINC000834031432	605523149	/nfs/dbraw/zinc/52/31/49/605523149.db2.gz	ZGUSOMVITCCIEA-RHSMWYFYSA-N	0	1	390.440	2.065	20	5		GEBDMN
C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC2(C1)CCN(C(=O)[O-])CC2	ZINC000833790092	605895462	/nfs/dbraw/zinc/89/54/62/605895462.db2.gz	MIRPUZIYYMQZPQ-ZDUSSCGKSA-N	0	1	376.413	2.388	20	5		GEBDMN
C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC2(C1)CCN(C(=O)[O-])CC2	ZINC000833790092	605895465	/nfs/dbraw/zinc/89/54/65/605895465.db2.gz	MIRPUZIYYMQZPQ-ZDUSSCGKSA-N	0	1	376.413	2.388	20	5		GEBDMN
Cc1sc(S(=O)(=O)N[C@H](c2nnc[nH]2)c2ccccc2)cc1[N+](=O)[O-]	ZINC000445711144	649964212	/nfs/dbraw/zinc/96/42/12/649964212.db2.gz	DIZCSIKVAKSDHB-ZDUSSCGKSA-N	0	1	379.423	2.151	20	5		GEBDMN
CCNc1ccc(-c2nn[nH]n2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000821308881	606598266	/nfs/dbraw/zinc/59/82/66/606598266.db2.gz	GUSLDXJJJGVBBW-UHFFFAOYSA-N	0	1	389.397	2.008	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000823620734	606704216	/nfs/dbraw/zinc/70/42/16/606704216.db2.gz	PFEAIXVDTZUURI-HNNXBMFYSA-N	0	1	394.439	2.494	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000823620734	606704217	/nfs/dbraw/zinc/70/42/17/606704217.db2.gz	PFEAIXVDTZUURI-HNNXBMFYSA-N	0	1	394.439	2.494	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000823620734	606704218	/nfs/dbraw/zinc/70/42/18/606704218.db2.gz	PFEAIXVDTZUURI-HNNXBMFYSA-N	0	1	394.439	2.494	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000823620734	606704221	/nfs/dbraw/zinc/70/42/21/606704221.db2.gz	PFEAIXVDTZUURI-HNNXBMFYSA-N	0	1	394.439	2.494	20	5		GEBDMN
C[C@@H](CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])[N@H+](C)Cc1ccccc1	ZINC000820240011	606714904	/nfs/dbraw/zinc/71/49/04/606714904.db2.gz	BKLWDAMGUISKRD-ZDUSSCGKSA-N	0	1	382.428	2.492	20	5		GEBDMN
C[C@@H](CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1	ZINC000820240011	606714906	/nfs/dbraw/zinc/71/49/06/606714906.db2.gz	BKLWDAMGUISKRD-ZDUSSCGKSA-N	0	1	382.428	2.492	20	5		GEBDMN
C[C@@H](CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])[N@H+](C)Cc1ccccc1	ZINC000820240011	606714907	/nfs/dbraw/zinc/71/49/07/606714907.db2.gz	BKLWDAMGUISKRD-ZDUSSCGKSA-N	0	1	382.428	2.492	20	5		GEBDMN
C[C@@H](CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1	ZINC000820240011	606714909	/nfs/dbraw/zinc/71/49/09/606714909.db2.gz	BKLWDAMGUISKRD-ZDUSSCGKSA-N	0	1	382.428	2.492	20	5		GEBDMN
CCC[C@@H]1[C@@H](C)CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000821034704	606736306	/nfs/dbraw/zinc/73/63/06/606736306.db2.gz	RPNNXLCNRXZHKD-NWDGAFQWSA-N	0	1	394.457	2.364	20	5		GEBDMN
CC(C)CC[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000820072732	607143795	/nfs/dbraw/zinc/14/37/95/607143795.db2.gz	LWBXBYDYQSSTOA-GFCCVEGCSA-N	0	1	394.457	2.364	20	5		GEBDMN
CCc1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)cc1	ZINC000825717651	607906148	/nfs/dbraw/zinc/90/61/48/607906148.db2.gz	NZTARHSCLODAAK-UHFFFAOYSA-N	0	1	375.366	2.105	20	5		GEBDMN
O=C(CCN1CCc2c(cccc2[N+](=O)[O-])C1)Nc1ccc(-c2nn[nH]n2)cc1	ZINC000826407530	607943075	/nfs/dbraw/zinc/94/30/75/607943075.db2.gz	QLOBHEQJLOTFND-UHFFFAOYSA-N	0	1	393.407	2.162	20	5		GEBDMN
O=C(CCN1CCc2c(cccc2[N+](=O)[O-])C1)Nc1cccc(-c2nn[nH]n2)c1	ZINC000826407404	607943273	/nfs/dbraw/zinc/94/32/73/607943273.db2.gz	MBEPCXMAHLQCFJ-UHFFFAOYSA-N	0	1	393.407	2.162	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCCC23CCCCC3)c1-c1nn[nH]n1	ZINC000826500353	607976184	/nfs/dbraw/zinc/97/61/84/607976184.db2.gz	VLIHESZCNDQGTL-UHFFFAOYSA-N	0	1	392.441	2.262	20	5		GEBDMN
COc1ccc(NC(=O)CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c([N+](=O)[O-])c1	ZINC000826209769	608469699	/nfs/dbraw/zinc/46/96/99/608469699.db2.gz	PMMHYZAJZPHXPC-NSHDSACASA-N	0	1	397.395	2.073	20	5		GEBDMN
CC[C@H](NCC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1	ZINC000825141376	608552096	/nfs/dbraw/zinc/55/20/96/608552096.db2.gz	NZBJRHVKWJFUEQ-INIZCTEOSA-N	0	1	381.396	2.454	20	5		GEBDMN
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1ccc(OC(F)F)cn1	ZINC000447852064	650009579	/nfs/dbraw/zinc/00/95/79/650009579.db2.gz	XTJXRXZMDXLSSI-UHFFFAOYSA-N	0	1	377.300	2.209	20	5		GEBDMN
CCN1CCN([C@@H](C)CNc2ncc([N+](=O)[O-])c(C)c2Br)CC1	ZINC000543450057	650422878	/nfs/dbraw/zinc/42/28/78/650422878.db2.gz	YEBVCGMHRIBPJG-NSHDSACASA-N	0	1	386.294	2.499	20	5		GEBDMN
COCCOC[C@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000462412565	650478414	/nfs/dbraw/zinc/47/84/14/650478414.db2.gz	YOJZIFFDKOBDMR-QMMMGPOBSA-N	0	1	387.241	2.231	20	5		GEBDMN
COC(=O)[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(C)C	ZINC000462471821	650480939	/nfs/dbraw/zinc/48/09/39/650480939.db2.gz	DKXBPKNQOOEENL-JTQLQIEISA-N	0	1	385.225	2.378	20	5		GEBDMN
C[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1nncn1C	ZINC000462532641	650483126	/nfs/dbraw/zinc/48/31/26/650483126.db2.gz	QOMXNKCUXCOTDM-ZCFIWIBFSA-N	0	1	380.213	2.070	20	5		GEBDMN
COc1cccc(C(F)(F)CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)n1	ZINC000511361374	650534963	/nfs/dbraw/zinc/53/49/63/650534963.db2.gz	QSFYOXXKWPGXKW-UHFFFAOYSA-N	0	1	379.366	2.130	20	5		GEBDMN
COCCOCCS(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C	ZINC000485396042	650695977	/nfs/dbraw/zinc/69/59/77/650695977.db2.gz	SAKVNFNKTHYUQG-UHFFFAOYSA-N	0	1	397.247	2.070	20	5		GEBDMN
COCCOC(=O)C1C(C)=NC(=S)N[C@H]1c1cc([N+](=O)[O-])ccc1Cl	ZINC000007553660	642341570	/nfs/dbraw/zinc/34/15/70/642341570.db2.gz	OUSYEEYXDRPVLS-ZDUSSCGKSA-N	0	1	385.829	2.231	20	5		GEBDMN
O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNCc1ccc(Cl)c(F)c1	ZINC000116922492	643477305	/nfs/dbraw/zinc/47/73/05/643477305.db2.gz	JBKHZPXCWVZFRV-UHFFFAOYSA-N	0	1	387.820	2.455	20	5		GEBDMN
CC(C)N(CCN(C)C)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000123523698	643672763	/nfs/dbraw/zinc/67/27/63/643672763.db2.gz	LMKBHOUUTQEJRR-UHFFFAOYSA-N	0	1	394.291	2.318	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC1CCS(=O)CC1	ZINC000541815509	650882229	/nfs/dbraw/zinc/88/22/29/650882229.db2.gz	DMVLZVWIPWCODF-UHFFFAOYSA-N	0	1	387.266	2.091	20	5		GEBDMN
CCN1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1	ZINC000161587165	644213202	/nfs/dbraw/zinc/21/32/02/644213202.db2.gz	LVTLGJQXZWXTQC-UHFFFAOYSA-N	0	1	381.376	2.376	20	5		GEBDMN
Cc1cc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)on1	ZINC000173066722	644349748	/nfs/dbraw/zinc/34/97/48/644349748.db2.gz	QFGDCVJAAHFTPF-UHFFFAOYSA-N	0	1	376.188	2.132	20	5		GEBDMN
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CCC[NH+]1CCCC1	ZINC000193616461	645290480	/nfs/dbraw/zinc/29/04/80/645290480.db2.gz	OSGYJZDELLDPRH-UHFFFAOYSA-N	0	1	392.275	2.122	20	5		GEBDMN
CCc1nncn1CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000547215206	651018883	/nfs/dbraw/zinc/01/88/83/651018883.db2.gz	HYISWEMFLLURKN-UHFFFAOYSA-N	0	1	394.240	2.034	20	5		GEBDMN
COc1ccnc(N2CCN(c3ncc([N+](=O)[O-])cc3Br)CC2)c1	ZINC000267257690	645893171	/nfs/dbraw/zinc/89/31/71/645893171.db2.gz	PQFVPYHQEFWYSI-UHFFFAOYSA-N	0	1	394.229	2.483	20	5		GEBDMN
CN(C)C[C@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000269332823	646027200	/nfs/dbraw/zinc/02/72/00/646027200.db2.gz	CMYSLPWFPNHANP-LLVKDONJSA-N	0	1	392.275	2.072	20	5		GEBDMN
CCn1cc(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)c([N+](=O)[O-])n1	ZINC000330457490	647337985	/nfs/dbraw/zinc/33/79/85/647337985.db2.gz	QKVFPZUHGXNPAV-UWVGGRQHSA-N	0	1	384.380	2.458	20	5		GEBDMN
C[C@@H](CO[C@H]1CCOC1)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000441550132	648831845	/nfs/dbraw/zinc/83/18/45/648831845.db2.gz	ZWKRUWFIJWVZKF-WPRPVWTQSA-N	0	1	399.252	2.374	20	5		GEBDMN
O=C1OCCN1CCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000742289802	651974363	/nfs/dbraw/zinc/97/43/63/651974363.db2.gz	FPIHWHQLJNTIET-UHFFFAOYSA-N	0	1	398.224	2.022	20	5		GEBDMN
CC[C@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)OC	ZINC000592076821	652583990	/nfs/dbraw/zinc/58/39/90/652583990.db2.gz	FAMPXIPOZNUHMJ-SSDOTTSWSA-N	0	1	385.225	2.379	20	5		GEBDMN
CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1	ZINC000595413990	652725312	/nfs/dbraw/zinc/72/53/12/652725312.db2.gz	YZKJPPZGVIFBIN-NSHDSACASA-N	0	1	381.376	2.232	20	5		GEBDMN
COC(=O)[C@](C)(NS(=O)(=O)c1cc(C)cs1)c1cccc([N+](=O)[O-])c1	ZINC000599484630	652875790	/nfs/dbraw/zinc/87/57/90/652875790.db2.gz	ONMBQTHSZIBIMM-OAHLLOKOSA-N	0	1	384.435	2.331	20	5		GEBDMN
CCN1CC[C@H]2OCCN(C(=O)c3c(Br)cccc3[N+](=O)[O-])[C@H]2C1	ZINC000599972370	652895313	/nfs/dbraw/zinc/89/53/13/652895313.db2.gz	YIYOZZROPXNOJZ-UONOGXRCSA-N	0	1	398.257	2.293	20	5		GEBDMN
COc1c(Br)c([N+](=O)[O-])c(NCCc2nc[nH]n2)cc1[N+](=O)[O-]	ZINC000771174963	653098874	/nfs/dbraw/zinc/09/88/74/653098874.db2.gz	SCTDIBGRAMSXCD-UHFFFAOYSA-N	0	1	387.150	2.047	20	5		GEBDMN
Cc1ncc([N+](=O)[O-])n1CCN[C@@H](CO)c1ccc(Br)c(F)c1	ZINC000602838745	653209455	/nfs/dbraw/zinc/20/94/55/653209455.db2.gz	HHSZHDGYGTVBFP-ZDUSSCGKSA-N	0	1	387.209	2.325	20	5		GEBDMN
CCN1CCC(N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1	ZINC000809806803	653296559	/nfs/dbraw/zinc/29/65/59/653296559.db2.gz	HFERRLQBXLSWOV-UHFFFAOYSA-N	0	1	379.841	2.492	20	5		GEBDMN
CC[NH+](CC)CCOCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000809831407	653306319	/nfs/dbraw/zinc/30/63/19/653306319.db2.gz	UQJFTFVLECQCOC-UHFFFAOYSA-N	0	1	397.856	2.024	20	5		GEBDMN
O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC[C@@H](c2nn[nH]n2)C1	ZINC000775547262	653316830	/nfs/dbraw/zinc/31/68/30/653316830.db2.gz	VJNGVHAALDANEX-SSDOTTSWSA-N	0	1	399.180	2.029	20	5		GEBDMN
CC(C)OCc1nc([C@@H](C)NS(=O)(=O)c2csc([N+](=O)[O-])c2)no1	ZINC000810117088	653327191	/nfs/dbraw/zinc/32/71/91/653327191.db2.gz	YHQODOPBVLPIFS-MRVPVSSYSA-N	0	1	376.416	2.004	20	5		GEBDMN
O=C(OCCc1cnc2c(Br)cnn2c1)c1ccc([N+](=O)[O-])[nH]1	ZINC000811164008	653380154	/nfs/dbraw/zinc/38/01/54/653380154.db2.gz	CAPLRDRTZLVVQG-UHFFFAOYSA-N	0	1	380.158	2.128	20	5		GEBDMN
CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1Cl	ZINC000811831425	653408565	/nfs/dbraw/zinc/40/85/65/653408565.db2.gz	AKTQHFKYJBCOBW-UHFFFAOYSA-N	0	1	388.789	2.257	20	5		GEBDMN
CN1C[C@H]2[C@@H](CCN2S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1	ZINC000813741038	653613897	/nfs/dbraw/zinc/61/38/97/653613897.db2.gz	NFUMIOVIBCBWPG-UFBFGSQYSA-N	0	1	380.253	2.226	20	5		GEBDMN
C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815018633	653644187	/nfs/dbraw/zinc/64/41/87/653644187.db2.gz	WDNLOPINAYLMCW-BXKDBHETSA-N	0	1	379.841	2.348	20	5		GEBDMN
CN1CCC[C@]2(CCN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])C2)C1	ZINC000815065971	653649246	/nfs/dbraw/zinc/64/92/46/653649246.db2.gz	UHKYRNSORCJQNX-HNNXBMFYSA-N	0	1	391.852	2.494	20	5		GEBDMN
CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000840395085	653684676	/nfs/dbraw/zinc/68/46/76/653684676.db2.gz	JEMYYVDAEFGUJT-JHJVBQTASA-N	0	1	375.208	2.249	20	5		GEBDMN
CCc1cc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1	ZINC000841490578	653720439	/nfs/dbraw/zinc/72/04/39/653720439.db2.gz	YZYAXNSRZSOULN-UHFFFAOYSA-N	0	1	378.332	2.378	20	5		GEBDMN
C[C@@H]1CCCN1CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000841516413	653725143	/nfs/dbraw/zinc/72/51/43/653725143.db2.gz	ZAWPLTDFRAAZAN-SNVBAGLBSA-N	0	1	381.376	2.376	20	5		GEBDMN
CC(C)(C)c1nnc(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)[nH]1	ZINC000841541166	653730024	/nfs/dbraw/zinc/73/00/24/653730024.db2.gz	WVQNFCGUYBATMV-UHFFFAOYSA-N	0	1	391.812	2.281	20	5		GEBDMN
CC1(C)C[NH2+]CC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000842482633	653757853	/nfs/dbraw/zinc/75/78/53/653757853.db2.gz	CWVNRZRQWSPFAL-LBPRGKRZSA-N	0	1	392.275	2.024	20	5		GEBDMN
O=C(CCNC(=O)C(F)(F)F)COc1cc(Br)ccc1[N+](=O)[O-]	ZINC000865372677	653763065	/nfs/dbraw/zinc/76/30/65/653763065.db2.gz	VAKHIJBDYKAFHQ-UHFFFAOYSA-N	0	1	399.119	2.374	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC[C@@H](CO)Cc2ccco2)c1	ZINC000795850040	653970242	/nfs/dbraw/zinc/97/02/42/653970242.db2.gz	FDTMRRWZIMRPNK-VIFPVBQESA-N	0	1	392.792	2.110	20	5		GEBDMN
COc1ccc(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cn1	ZINC000798224817	654054575	/nfs/dbraw/zinc/05/45/75/654054575.db2.gz	JMFKXNLSFPDBPS-UHFFFAOYSA-N	0	1	375.765	2.269	20	5		GEBDMN
COC(=O)c1nscc1S(=O)(=O)Nc1c(C)c([N+](=O)[O-])ccc1F	ZINC000800052192	654126171	/nfs/dbraw/zinc/12/61/71/654126171.db2.gz	KJKHJNBFPYRYBR-UHFFFAOYSA-N	0	1	375.359	2.086	20	5		GEBDMN
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCC[C@@H](O)C(F)(F)F)c1Cl	ZINC000830633291	654130832	/nfs/dbraw/zinc/13/08/32/654130832.db2.gz	MCMGMXHBOICQJC-SSDOTTSWSA-N	0	1	397.158	2.493	20	5		GEBDMN
O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H]1CCCN2CCO	ZINC000889744993	654166296	/nfs/dbraw/zinc/16/62/96/654166296.db2.gz	QLBUUYLJAPHCSN-OLZOCXBDSA-N	0	1	398.257	2.029	20	5		GEBDMN
CCCN1CC[C@H](NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1	ZINC000851820517	654183237	/nfs/dbraw/zinc/18/32/37/654183237.db2.gz	AWPPMGGHCPAAGR-JTQLQIEISA-N	0	1	392.275	2.120	20	5		GEBDMN
CCCN1CC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1	ZINC000851821623	654183805	/nfs/dbraw/zinc/18/38/05/654183805.db2.gz	WAOXHZFIRDHTGK-JTQLQIEISA-N	0	1	392.275	2.120	20	5		GEBDMN
Cc1ccc(N2CCN(CCC(=O)N(C)C)CC2)c([N+](=O)[O-])c1Br	ZINC000804554258	654313650	/nfs/dbraw/zinc/31/36/50/654313650.db2.gz	UWWQTGDCFMMBLP-UHFFFAOYSA-N	0	1	399.289	2.266	20	5		GEBDMN
C[C@]12CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]1C2(Br)Br	ZINC000855324569	654412255	/nfs/dbraw/zinc/41/22/55/654412255.db2.gz	YMNOZVWANKYHIG-DQUBFYRCSA-N	0	1	382.052	2.006	20	5		GEBDMN
O=[N+]([O-])c1cnn(CCNCc2cccc(F)c2I)c1	ZINC000873081715	654413418	/nfs/dbraw/zinc/41/34/18/654413418.db2.gz	OPTJXQSOZUWBJW-UHFFFAOYSA-N	0	1	390.156	2.325	20	5		GEBDMN
O=[N+]([O-])c1cccnc1N1CCN(Cc2ncc(Br)cc2O)CC1	ZINC000894800425	654500018	/nfs/dbraw/zinc/50/00/18/654500018.db2.gz	DDUMSYXKABULTJ-UHFFFAOYSA-N	0	1	394.229	2.175	20	5		GEBDMN
O=[N+]([O-])c1ccc2ncnc(N3CCc4ncc(CN5CCCC5)n4CC3)c2c1	ZINC001164727338	720561640	/nfs/dbraw/zinc/56/16/40/720561640.db2.gz	FAPBTSYESDVXFU-UHFFFAOYSA-N	0	1	393.451	2.393	20	5		GEBDMN
O=[N+]([O-])c1cc(N2CCc3ncc(CN4CCCC4)n3CC2)nc2[nH]ccc21	ZINC001164730497	720573499	/nfs/dbraw/zinc/57/34/99/720573499.db2.gz	WQBRVLMIPZYGPK-UHFFFAOYSA-N	0	1	381.440	2.326	20	5		GEBDMN
Cn1cc(CN2CC[C@H]3CN(c4cc(Cl)cc([N+](=O)[O-])n4)C[C@@H]3C2)cn1	ZINC001164761710	721109687	/nfs/dbraw/zinc/10/96/87/721109687.db2.gz	APLHYQJOQFLDSU-KBPBESRZSA-N	0	1	376.848	2.335	20	5		GEBDMN
O=[N+]([O-])c1cc(F)cnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1	ZINC001164980666	722105979	/nfs/dbraw/zinc/10/59/79/722105979.db2.gz	JWGAQTAMWYHODY-QAPCUYQASA-N	0	1	387.415	2.251	20	5		GEBDMN
CN(Cc1cc(Br)ccc1F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000173582711	532021466	/nfs/dbraw/zinc/02/14/66/532021466.db2.gz	ULKPPKLJDTVHRT-ZDUSSCGKSA-N	0	1	387.209	2.186	20	5		GEBDMN
COC1CCN(CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1	ZINC000123764585	532107597	/nfs/dbraw/zinc/10/75/97/532107597.db2.gz	ZGQLSORCGWJFFF-UHFFFAOYSA-N	0	1	386.246	2.198	20	5		GEBDMN
CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCCN(S(C)(=O)=O)C1	ZINC000176627891	532143883	/nfs/dbraw/zinc/14/38/83/532143883.db2.gz	MTLVZCXZVCGWTI-LBPRGKRZSA-N	0	1	375.878	2.352	20	5		GEBDMN
Cc1nc(C)c([C@@H](C)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	ZINC000178000554	532189816	/nfs/dbraw/zinc/18/98/16/532189816.db2.gz	JGTJUJIRVDUWTF-SNVBAGLBSA-N	0	1	384.483	2.297	20	5		GEBDMN
C[C@@H](NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)c1ncn(C)n1	ZINC000295129105	532406650	/nfs/dbraw/zinc/40/66/50/532406650.db2.gz	KUNFDBHAACRJAY-ZCFIWIBFSA-N	0	1	380.213	2.070	20	5		GEBDMN
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@H](c3nc[nH]n3)C2)c1	ZINC000372982252	532423450	/nfs/dbraw/zinc/42/34/50/532423450.db2.gz	YSOFENCHSLHDEO-JTQLQIEISA-N	0	1	385.833	2.243	20	5		GEBDMN
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CN1CCN(C)CC1	ZINC000283315072	532531378	/nfs/dbraw/zinc/53/13/78/532531378.db2.gz	FDWSJIFRUXNKOP-NSHDSACASA-N	0	1	399.289	2.031	20	5		GEBDMN
CO[C@H]1C[C@@H](CN(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)N(C)C1	ZINC000284749038	532616410	/nfs/dbraw/zinc/61/64/10/532616410.db2.gz	VKZDDZPKTRZFJQ-KBPBESRZSA-N	0	1	386.246	2.148	20	5		GEBDMN
Cc1c(Br)cc(S(=O)(=O)N2CCN[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-]	ZINC000262751707	532599962	/nfs/dbraw/zinc/59/99/62/532599962.db2.gz	GPAWNHNACJWAMX-UWVGGRQHSA-N	0	1	392.275	2.037	20	5		GEBDMN
O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC(C2N=NC(=O)O2)CC1	ZINC000599903685	532669638	/nfs/dbraw/zinc/66/96/38/532669638.db2.gz	NWROTOMBTADHBT-UHFFFAOYSA-N	0	1	397.185	2.466	20	5		GEBDMN
CN(C)CCNS(=O)(=O)c1cccc(NCc2csc([N+](=O)[O-])c2)c1	ZINC000285371049	532675874	/nfs/dbraw/zinc/67/58/74/532675874.db2.gz	AXGVKRGGVVHZPT-UHFFFAOYSA-N	0	1	384.483	2.108	20	5		GEBDMN
CC(C)N(CCN(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000269583300	532783452	/nfs/dbraw/zinc/78/34/52/532783452.db2.gz	APHKTORAUQGCSC-UHFFFAOYSA-N	0	1	394.291	2.318	20	5		GEBDMN
CS(=O)(=O)c1ccc(F)c(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1	ZINC000327906466	532792788	/nfs/dbraw/zinc/79/27/88/532792788.db2.gz	IQKHWEIKSOIFRD-UHFFFAOYSA-N	0	1	392.361	2.077	20	5		GEBDMN
Cc1nc([C@@H](C)S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])n[nH]1	ZINC000414224509	532820701	/nfs/dbraw/zinc/82/07/01/532820701.db2.gz	QTPGFQFKGCHPSM-ZCFIWIBFSA-N	0	1	375.204	2.319	20	5		GEBDMN
CN1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C(C)(C)C1	ZINC000330582828	532821878	/nfs/dbraw/zinc/82/18/78/532821878.db2.gz	VHEGUHYWUFKAQJ-UHFFFAOYSA-N	0	1	385.262	2.322	20	5		GEBDMN
CCn1cc(S(=O)(=O)Nc2cc(OC)cc(OC)c2Cl)c([N+](=O)[O-])n1	ZINC000414402536	532824927	/nfs/dbraw/zinc/82/49/27/532824927.db2.gz	ZZUVBJTVNMJEAQ-UHFFFAOYSA-N	0	1	390.805	2.283	20	5		GEBDMN
CCN1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000331133735	532833426	/nfs/dbraw/zinc/83/34/26/532833426.db2.gz	BWXJFUILWKSBPA-NSHDSACASA-N	0	1	392.275	2.120	20	5		GEBDMN
CS[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1N1CCCC1	ZINC000332082690	532848453	/nfs/dbraw/zinc/84/84/53/532848453.db2.gz	OHDDNILELFMXQC-HOTGVXAUSA-N	0	1	385.511	2.104	20	5		GEBDMN
CS[C@H]1CN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C[C@H]1N1CCCC1	ZINC000332077863	532848579	/nfs/dbraw/zinc/84/85/79/532848579.db2.gz	HEGBSZSQUCSHBZ-CABCVRRESA-N	0	1	385.511	2.104	20	5		GEBDMN
CS[C@H]1CN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1N1CCCC1	ZINC000332089386	532849001	/nfs/dbraw/zinc/84/90/01/532849001.db2.gz	UOYYEWUCIRQPBT-HOTGVXAUSA-N	0	1	385.511	2.104	20	5		GEBDMN
COC(=O)[C@H](NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C)c1cccs1	ZINC000416390966	532875290	/nfs/dbraw/zinc/87/52/90/532875290.db2.gz	POFYIXIUPHCDCM-CQSZACIVSA-N	0	1	384.435	2.466	20	5		GEBDMN
CCc1nc([C@H](C)NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)n[nH]1	ZINC000290822307	532890647	/nfs/dbraw/zinc/89/06/47/532890647.db2.gz	TXXWBOISELGURQ-LURJTMIESA-N	0	1	377.785	2.107	20	5		GEBDMN
O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1	ZINC000368849800	532934766	/nfs/dbraw/zinc/93/47/66/532934766.db2.gz	KWKUQLPZYDDANP-UONOGXRCSA-N	0	1	396.241	2.291	20	5		GEBDMN
Cc1ccc(F)c(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])c1	ZINC000737344924	599039473	/nfs/dbraw/zinc/03/94/73/599039473.db2.gz	MBMOXTJGWOQMSE-UHFFFAOYSA-N	0	1	378.345	2.023	20	5		GEBDMN
O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1S(=O)(=O)Nc1cc(Cl)ccc1F	ZINC000738361096	599041513	/nfs/dbraw/zinc/04/15/13/599041513.db2.gz	UNMMTTIFDOWQKD-UHFFFAOYSA-N	0	1	398.763	2.368	20	5		GEBDMN
C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+](C)CCC(=O)[O-]	ZINC000817744357	596997224	/nfs/dbraw/zinc/99/72/24/596997224.db2.gz	YWHFRNOCFZYYOT-JTQLQIEISA-N	0	1	378.410	2.452	20	5		GEBDMN
O=[N+]([O-])c1cnc(NC[C@H](c2cccs2)[NH+]2CCCC2)c(-c2nn[n-]n2)c1	ZINC000823651474	599277980	/nfs/dbraw/zinc/27/79/80/599277980.db2.gz	LEXWQAOOYCKQCZ-CYBMUJFWSA-N	0	1	386.441	2.480	20	5		GEBDMN
COc1ccc(-c2n[nH]c(CNc3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])n2)cc1	ZINC000737056397	598757513	/nfs/dbraw/zinc/75/75/13/598757513.db2.gz	KWMNHSLHUGXYDG-UHFFFAOYSA-N	0	1	393.367	2.181	20	5		GEBDMN
CC[NH+]1CCN(C[C@@H](C)CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000737116202	599854118	/nfs/dbraw/zinc/85/41/18/599854118.db2.gz	OUMLVOQYVMUEBY-PKYBCLHXSA-N	0	1	376.457	2.378	20	5		GEBDMN
Cc1cc(N2CCC[C@@H](NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)C2)nc(C)[nH+]1	ZINC000738229947	599973471	/nfs/dbraw/zinc/97/34/71/599973471.db2.gz	IXLZZPHZZXAKAK-OAHLLOKOSA-N	0	1	399.407	2.099	20	5		GEBDMN
CC[C@@]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)(C(=O)[O-])c1ccccc1	ZINC000736917572	600128773	/nfs/dbraw/zinc/12/87/73/600128773.db2.gz	NXYXFZQFOXEORL-FQEVSTJZSA-N	0	1	383.404	2.464	20	5		GEBDMN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC000738069141	600311802	/nfs/dbraw/zinc/31/18/02/600311802.db2.gz	YEQIHPNHKUFFBJ-YPMHNXCESA-N	0	1	377.397	2.117	20	5		GEBDMN
C[C@H](C[N@@H+](Cc1ccccc1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)[O-]	ZINC000736584004	601089099	/nfs/dbraw/zinc/08/90/99/601089099.db2.gz	OJHQZUDVTSHZNR-CYBMUJFWSA-N	0	1	397.387	2.371	20	5		GEBDMN
C[C@H](C[N@H+](Cc1ccccc1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)[O-]	ZINC000736584004	601089102	/nfs/dbraw/zinc/08/91/02/601089102.db2.gz	OJHQZUDVTSHZNR-CYBMUJFWSA-N	0	1	397.387	2.371	20	5		GEBDMN
C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1	ZINC000600870424	601101999	/nfs/dbraw/zinc/10/19/99/601101999.db2.gz	SNNGKBSYDBVXLQ-LLVKDONJSA-N	0	1	377.422	2.431	20	5		GEBDMN
C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CC[C@H](C(=O)[O-])C1	ZINC000817743811	601379025	/nfs/dbraw/zinc/37/90/25/601379025.db2.gz	IHOZJCOLHFCCIC-JQWIXIFHSA-N	0	1	390.421	2.452	20	5		GEBDMN
C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CC[C@H](C(=O)[O-])C1	ZINC000817743811	601379028	/nfs/dbraw/zinc/37/90/28/601379028.db2.gz	IHOZJCOLHFCCIC-JQWIXIFHSA-N	0	1	390.421	2.452	20	5		GEBDMN
COc1cc(C[N@@H+]2CC[C@H](CNC(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F	ZINC000739860016	601947334	/nfs/dbraw/zinc/94/73/34/601947334.db2.gz	MFGKQPIRUOGHRO-SECBINFHSA-N	0	1	375.328	2.294	20	5		GEBDMN
COc1cc(C[N@H+]2CC[C@H](CNC(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F	ZINC000739860016	601947336	/nfs/dbraw/zinc/94/73/36/601947336.db2.gz	MFGKQPIRUOGHRO-SECBINFHSA-N	0	1	375.328	2.294	20	5		GEBDMN
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](N(C)C(=O)[O-])C1	ZINC000739873546	601973621	/nfs/dbraw/zinc/97/36/21/601973621.db2.gz	ZEIOTZBEMCYFCA-CYBMUJFWSA-N	0	1	380.401	2.006	20	5		GEBDMN
CC(C)CCC[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000824242712	607573035	/nfs/dbraw/zinc/57/30/35/607573035.db2.gz	AMZYQCRIVWOUJS-LLVKDONJSA-N	0	1	382.446	2.268	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc(F)c(Cl)c2)c1-c1nn[nH]n1	ZINC000826500314	607574714	/nfs/dbraw/zinc/57/47/14/607574714.db2.gz	TVEQRXOZOBHIRI-UHFFFAOYSA-N	0	1	399.747	2.335	20	5		GEBDMN
C[C@@H]1CCC[C@H](CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1	ZINC000824925260	607616506	/nfs/dbraw/zinc/61/65/06/607616506.db2.gz	CHYRSPUCMDGSEG-VXGBXAGGSA-N	0	1	394.457	2.270	20	5		GEBDMN
O=C([O-])/C=C1\SCC(=O)N1CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1	ZINC000833196409	604802265	/nfs/dbraw/zinc/80/22/65/604802265.db2.gz	STSDISIWFDYSPM-YVLHZVERSA-N	0	1	391.449	2.451	20	5		GEBDMN
Cc1ccc2c(n1)c(=O)c(-c1nn[nH]n1)cn2Cc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000826294951	607717633	/nfs/dbraw/zinc/71/76/33/607717633.db2.gz	KOCQRRVMWNTNAM-UHFFFAOYSA-N	0	1	397.782	2.495	20	5		GEBDMN
CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1	ZINC000833417020	604857326	/nfs/dbraw/zinc/85/73/26/604857326.db2.gz	KFFMUKROBDJLPW-DOMZBBRYSA-N	0	1	389.408	2.050	20	5		GEBDMN
CC(C)(C(=O)[O-])[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1	ZINC000833417027	604857640	/nfs/dbraw/zinc/85/76/40/604857640.db2.gz	KFFMUKROBDJLPW-WFASDCNBSA-N	0	1	389.408	2.050	20	5		GEBDMN
CC[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C1	ZINC000833657682	605007396	/nfs/dbraw/zinc/00/73/96/605007396.db2.gz	NULOUXJSKMRPQK-RISCZKNCSA-N	0	1	381.454	2.232	20	5		GEBDMN
CC[N@H+]1C[C@H](C)[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C1	ZINC000833657683	605007442	/nfs/dbraw/zinc/00/74/42/605007442.db2.gz	NULOUXJSKMRPQK-SMDDNHRTSA-N	0	1	381.454	2.232	20	5		GEBDMN
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](CCC(=O)[O-])C[C@@H]1C	ZINC000833545294	605163392	/nfs/dbraw/zinc/16/33/92/605163392.db2.gz	GFSNAKDFSZAGAT-QWHCGFSZSA-N	0	1	381.454	2.083	20	5		GEBDMN
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@@H]1C	ZINC000833545294	605163396	/nfs/dbraw/zinc/16/33/96/605163396.db2.gz	GFSNAKDFSZAGAT-QWHCGFSZSA-N	0	1	381.454	2.083	20	5		GEBDMN
C[C@@H](N[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1cccc([N+](=O)[O-])c1	ZINC000820419408	606301373	/nfs/dbraw/zinc/30/13/73/606301373.db2.gz	GTARLULZGIUVJI-QMTHXVAHSA-N	0	1	399.436	2.293	20	5		GEBDMN
C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1	ZINC000820571101	606700585	/nfs/dbraw/zinc/70/05/85/606700585.db2.gz	VWPYRKLWPUEQCG-GXTWGEPZSA-N	0	1	380.412	2.417	20	5		GEBDMN
C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1	ZINC000820571101	606700587	/nfs/dbraw/zinc/70/05/87/606700587.db2.gz	VWPYRKLWPUEQCG-GXTWGEPZSA-N	0	1	380.412	2.417	20	5		GEBDMN
C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1	ZINC000820571101	606700588	/nfs/dbraw/zinc/70/05/88/606700588.db2.gz	VWPYRKLWPUEQCG-GXTWGEPZSA-N	0	1	380.412	2.417	20	5		GEBDMN
C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1	ZINC000820571101	606700590	/nfs/dbraw/zinc/70/05/90/606700590.db2.gz	VWPYRKLWPUEQCG-GXTWGEPZSA-N	0	1	380.412	2.417	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000823620315	606711294	/nfs/dbraw/zinc/71/12/94/606711294.db2.gz	KEZYXSCDPMMIHQ-AWEZNQCLSA-N	0	1	380.412	2.246	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H]1CCC[N@H+]1Cc1ccccc1	ZINC000823620315	606711296	/nfs/dbraw/zinc/71/12/96/606711296.db2.gz	KEZYXSCDPMMIHQ-AWEZNQCLSA-N	0	1	380.412	2.246	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000823620315	606711298	/nfs/dbraw/zinc/71/12/98/606711298.db2.gz	KEZYXSCDPMMIHQ-AWEZNQCLSA-N	0	1	380.412	2.246	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H]1CCC[N@H+]1Cc1ccccc1	ZINC000823620315	606711300	/nfs/dbraw/zinc/71/13/00/606711300.db2.gz	KEZYXSCDPMMIHQ-AWEZNQCLSA-N	0	1	380.412	2.246	20	5		GEBDMN
CN(CCC1CCCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000821599223	606732772	/nfs/dbraw/zinc/73/27/72/606732772.db2.gz	KWLDIMFLWQZXSP-UHFFFAOYSA-N	0	1	394.457	2.366	20	5		GEBDMN
CCC[C@H](C)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000821014439	607144275	/nfs/dbraw/zinc/14/42/75/607144275.db2.gz	HEOWXCGWKVQKDT-RYUDHWBXSA-N	0	1	394.457	2.364	20	5		GEBDMN
C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)c2ccccc21	ZINC000820767640	607153405	/nfs/dbraw/zinc/15/34/05/607153405.db2.gz	JDAXQBOGPQSSGB-JTQLQIEISA-N	0	1	386.393	2.087	20	5		GEBDMN
CCN(c1ccccc1F)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000821242625	607154832	/nfs/dbraw/zinc/15/48/32/607154832.db2.gz	VPYITOXCYGTOJS-UHFFFAOYSA-N	0	1	392.372	2.129	20	5		GEBDMN
O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1	ZINC000826497264	608234315	/nfs/dbraw/zinc/23/43/15/608234315.db2.gz	ADHCGCQKGWUZAL-GFCCVEGCSA-N	0	1	381.400	2.154	20	5		GEBDMN
COC(=O)[C@@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1cccs1	ZINC000500936448	650385050	/nfs/dbraw/zinc/38/50/50/650385050.db2.gz	WJMGAGWNDZOCNN-AWEZNQCLSA-N	0	1	384.435	2.033	20	5		GEBDMN
CNS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1	ZINC000461454633	650454402	/nfs/dbraw/zinc/45/44/02/650454402.db2.gz	VAFDULCXRDHLOP-UHFFFAOYSA-N	0	1	385.785	2.114	20	5		GEBDMN
COC(=O)[C@@H](CC(F)(F)F)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000462689357	650488566	/nfs/dbraw/zinc/48/85/66/650488566.db2.gz	OAJLAHDQPYKJOD-SSDOTTSWSA-N	0	1	390.723	2.021	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](Cc2nc[nH]n2)c2ccccc2)s1	ZINC000509715594	650499473	/nfs/dbraw/zinc/49/94/73/650499473.db2.gz	WKGZSPZKEKQGBN-LLVKDONJSA-N	0	1	379.423	2.037	20	5		GEBDMN
CCN1CCC(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1	ZINC000485357670	650695377	/nfs/dbraw/zinc/69/53/77/650695377.db2.gz	WEHKJEKBDAUCST-UHFFFAOYSA-N	0	1	392.275	2.120	20	5		GEBDMN
Cc1nnc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)o1	ZINC000533328684	650760074	/nfs/dbraw/zinc/76/00/74/650760074.db2.gz	OXWLNKUVNPQTSS-LURJTMIESA-N	0	1	391.203	2.088	20	5		GEBDMN
CN(C)[C@@H]1CCCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1	ZINC000057838579	642818776	/nfs/dbraw/zinc/81/87/76/642818776.db2.gz	YEOPZUPCYJPEIU-SNVBAGLBSA-N	0	1	381.376	2.419	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)NCCNCc2ccc(Cl)s2)c1	ZINC000067450593	642968602	/nfs/dbraw/zinc/96/86/02/642968602.db2.gz	NTYYCGBPISEQHS-UHFFFAOYSA-N	0	1	375.859	2.378	20	5		GEBDMN
CCN1CCC(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1	ZINC000108759409	643281834	/nfs/dbraw/zinc/28/18/34/643281834.db2.gz	WUAPZANZZBXQNR-UHFFFAOYSA-N	0	1	392.275	2.120	20	5		GEBDMN
Cn1cc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc(Cl)c1=O	ZINC000118948987	643526971	/nfs/dbraw/zinc/52/69/71/643526971.db2.gz	IIJXZFQYNWTBSQ-UHFFFAOYSA-N	0	1	378.193	2.401	20	5		GEBDMN
O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)c1n[nH]cc1[N+](=O)[O-]	ZINC000119163759	643539608	/nfs/dbraw/zinc/53/96/08/643539608.db2.gz	NEDLBSFFVIFLRW-JTQLQIEISA-N	0	1	394.229	2.337	20	5		GEBDMN
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(N3CCOCC3)c(F)c2)cs1	ZINC000120240675	643595721	/nfs/dbraw/zinc/59/57/21/643595721.db2.gz	MMMRPTQELPDLNQ-UHFFFAOYSA-N	0	1	387.414	2.433	20	5		GEBDMN
Cn1cc(Br)c(=O)c(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1	ZINC000499031638	650871706	/nfs/dbraw/zinc/87/17/06/650871706.db2.gz	RBVUCKXEYGXHFR-UHFFFAOYSA-N	0	1	392.169	2.185	20	5		GEBDMN
C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)C[C@@H](C)N1	ZINC000153197217	643979191	/nfs/dbraw/zinc/97/91/91/643979191.db2.gz	MOPFWIJFEUMBKM-RKDXNWHRSA-N	0	1	389.193	2.022	20	5		GEBDMN
O=c1ccc([N+](=O)[O-])cn1CCN[C@H](CCO)c1ccccc1Br	ZINC000542880998	650893353	/nfs/dbraw/zinc/89/33/53/650893353.db2.gz	IRWOWNVEDZRYEO-OAHLLOKOSA-N	0	1	396.241	2.232	20	5		GEBDMN
Cc1ncc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c(=O)[nH]1	ZINC000543168002	650902047	/nfs/dbraw/zinc/90/20/47/650902047.db2.gz	XFGNSLIJHRMJQM-UHFFFAOYSA-N	0	1	393.208	2.184	20	5		GEBDMN
Cn1ccc(CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])n1	ZINC000544850894	650956461	/nfs/dbraw/zinc/95/64/61/650956461.db2.gz	QEQSDZDTPXIMBD-UHFFFAOYSA-N	0	1	379.225	2.156	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)NCCNCc2cc(Cl)cs2)cc1	ZINC000193061320	645236569	/nfs/dbraw/zinc/23/65/69/645236569.db2.gz	YIMPTIZJHUHLQJ-UHFFFAOYSA-N	0	1	375.859	2.378	20	5		GEBDMN
[NH3+]C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000238026298	645449523	/nfs/dbraw/zinc/44/95/23/645449523.db2.gz	UMOHKVVQYXFEJD-MWLCHTKSSA-N	0	1	392.275	2.153	20	5		GEBDMN
COC(=O)c1csc(NS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)c1	ZINC000547955279	651058648	/nfs/dbraw/zinc/05/86/48/651058648.db2.gz	GUAWTOLBQOBBMS-UHFFFAOYSA-N	0	1	390.370	2.391	20	5		GEBDMN
CCC[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1nn[nH]n1	ZINC000268216258	645954410	/nfs/dbraw/zinc/95/44/10/645954410.db2.gz	POICBAUBBPZWRM-QMMMGPOBSA-N	0	1	387.169	2.281	20	5		GEBDMN
CN(C)C[C@H]1CCCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000269352976	646029637	/nfs/dbraw/zinc/02/96/37/646029637.db2.gz	LEYQBSBBUSJQCW-LLVKDONJSA-N	0	1	392.275	2.072	20	5		GEBDMN
COc1cc(CN[C@H](C)CC[S@@](C)=O)c([N+](=O)[O-])cc1OCC(F)F	ZINC000272430300	646271926	/nfs/dbraw/zinc/27/19/26/646271926.db2.gz	NHOATPOTOLNCRF-REFGNXHDSA-N	0	1	380.413	2.494	20	5		GEBDMN
COc1cc(CN[C@@H](C)CC[S@@](C)=O)c([N+](=O)[O-])cc1OCC(F)F	ZINC000272430303	646272052	/nfs/dbraw/zinc/27/20/52/646272052.db2.gz	NHOATPOTOLNCRF-UXMMLNGASA-N	0	1	380.413	2.494	20	5		GEBDMN
COc1cc(CN[C@H](C)[C@H](CO)SC)c([N+](=O)[O-])cc1OCC(F)F	ZINC000272531084	646275754	/nfs/dbraw/zinc/27/57/54/646275754.db2.gz	ZPCOYMZAXUOUIP-OTYXRUKQSA-N	0	1	380.413	2.449	20	5		GEBDMN
CN1CC[C@]2(CCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])C2)C1	ZINC000292459090	647190736	/nfs/dbraw/zinc/19/07/36/647190736.db2.gz	ZSOGNIFTXGEJEW-HNNXBMFYSA-N	0	1	375.397	2.123	20	5		GEBDMN
CC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)[C@@H](O)C(F)F	ZINC000295673998	647236161	/nfs/dbraw/zinc/23/61/61/647236161.db2.gz	HIBHBVBTBJNFQE-OIBJUYFYSA-N	0	1	376.740	2.070	20	5		GEBDMN
O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc[nH]n2)C1	ZINC000366561135	647702012	/nfs/dbraw/zinc/70/20/12/647702012.db2.gz	ZGURTMAPSVIPDX-SECBINFHSA-N	0	1	380.202	2.495	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)c1	ZINC000367217180	647724034	/nfs/dbraw/zinc/72/40/34/647724034.db2.gz	JVMPMNADWDTRGH-OTYXRUKQSA-N	0	1	394.808	2.004	20	5		GEBDMN
CC(C)[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)OC(C)(C)C	ZINC000392992511	647895694	/nfs/dbraw/zinc/89/56/94/647895694.db2.gz	ACEBBTJVMKGJKI-GFCCVEGCSA-N	0	1	376.406	2.379	20	5		GEBDMN
CN(C)C[C@@H]1CCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000416425390	648123654	/nfs/dbraw/zinc/12/36/54/648123654.db2.gz	DRGGPPAVXRZMNY-NSHDSACASA-N	0	1	381.376	2.328	20	5		GEBDMN
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C(C)C)C(F)(F)F	ZINC000416628480	648193286	/nfs/dbraw/zinc/19/32/86/648193286.db2.gz	GHVQGWAGOPBKAD-NSHDSACASA-N	0	1	384.332	2.247	20	5		GEBDMN
Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)n(C)n1	ZINC000442847932	648851004	/nfs/dbraw/zinc/85/10/04/648851004.db2.gz	YSKNZJMMTHAIJC-UHFFFAOYSA-N	0	1	375.204	2.200	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@@]1(O)CCSC1	ZINC000443363083	648874146	/nfs/dbraw/zinc/87/41/46/648874146.db2.gz	AATZUHZRZKSIAA-NSHDSACASA-N	0	1	387.266	2.048	20	5		GEBDMN
Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2I)n[nH]1	ZINC000609594882	651625858	/nfs/dbraw/zinc/62/58/58/651625858.db2.gz	ISADXKOGHUISLD-UHFFFAOYSA-N	0	1	386.149	2.161	20	5		GEBDMN
O=C(CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])NC1CCCC1	ZINC000610263346	651652350	/nfs/dbraw/zinc/65/23/50/651652350.db2.gz	JHBHMVYWFXADRS-UHFFFAOYSA-N	0	1	396.252	2.239	20	5		GEBDMN
COC1(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCOCC1	ZINC000610958077	651695355	/nfs/dbraw/zinc/69/53/55/651695355.db2.gz	WRUBPRZCNIVXBL-UHFFFAOYSA-N	0	1	399.252	2.376	20	5		GEBDMN
Cn1cc(CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cn1	ZINC000574323204	652016325	/nfs/dbraw/zinc/01/63/25/652016325.db2.gz	UNBOFNVDOWLCJA-UHFFFAOYSA-N	0	1	379.225	2.156	20	5		GEBDMN
COC[C@@](C)(CC(=O)OC)NCc1ccc(Br)c([N+](=O)[O-])c1	ZINC000757926030	652525874	/nfs/dbraw/zinc/52/58/74/652525874.db2.gz	JMGKYUFRUHGDPG-CQSZACIVSA-N	0	1	375.219	2.415	20	5		GEBDMN
O=C([O-])C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)CC1CC1	ZINC000593333140	652617376	/nfs/dbraw/zinc/61/73/76/652617376.db2.gz	RQNPBTSTJTXJHY-UHFFFAOYSA-N	0	1	390.177	2.496	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1C[C@H](O)C12CCC2	ZINC000594866902	652694472	/nfs/dbraw/zinc/69/44/72/652694472.db2.gz	YXVJGGFAFBSZJI-MNOVXSKESA-N	0	1	381.237	2.483	20	5		GEBDMN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCSc3ccc(Cl)cc32)n1	ZINC000599208557	652854241	/nfs/dbraw/zinc/85/42/41/652854241.db2.gz	IQSPFYOGTNCPKW-JTQLQIEISA-N	0	1	388.858	2.497	20	5		GEBDMN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCCOc3c(Cl)cccc32)n1	ZINC000599272885	652857751	/nfs/dbraw/zinc/85/77/51/652857751.db2.gz	SREKFKIAKHIKOU-NSHDSACASA-N	0	1	386.817	2.174	20	5		GEBDMN
COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(Br)cc1[N+](=O)[O-]	ZINC000767869828	652957441	/nfs/dbraw/zinc/95/74/41/652957441.db2.gz	OQZOSZZMYVRCPM-NSHDSACASA-N	0	1	386.227	2.323	20	5		GEBDMN
CN(C)C(=O)[C@@H]1CC[C@@H](CNCc2cc(Br)c([N+](=O)[O-])s2)O1	ZINC000602584146	653192040	/nfs/dbraw/zinc/19/20/40/653192040.db2.gz	WUKXQVUDJYMARF-KWQFWETISA-N	0	1	392.275	2.144	20	5		GEBDMN
COc1nc(C(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)cc(=O)[nH]1	ZINC000773463196	653201094	/nfs/dbraw/zinc/20/10/94/653201094.db2.gz	DBLOSZKLISGNPD-UHFFFAOYSA-N	0	1	384.142	2.219	20	5		GEBDMN
CC[NH+]1CCC(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1	ZINC000809811190	653297336	/nfs/dbraw/zinc/29/73/36/653297336.db2.gz	ZZABXKISRAZGEB-UHFFFAOYSA-N	0	1	379.841	2.398	20	5		GEBDMN
C[NH+]1CCC(CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1	ZINC000809813647	653297860	/nfs/dbraw/zinc/29/78/60/653297860.db2.gz	JZYJHSTZOKZAED-UHFFFAOYSA-N	0	1	379.841	2.398	20	5		GEBDMN
CC[S@@](=O)CCNCc1cc(I)cc([N+](=O)[O-])c1	ZINC000810143399	653328009	/nfs/dbraw/zinc/32/80/09/653328009.db2.gz	GJUXYTSGKIJCGR-GOSISDBHSA-N	0	1	382.223	2.058	20	5		GEBDMN
CC[N@H+](C)[C@H](C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1ccccc1	ZINC000780364422	653624522	/nfs/dbraw/zinc/62/45/22/653624522.db2.gz	DNGNVJZJWDIUSA-AWEZNQCLSA-N	0	1	383.451	2.154	20	5		GEBDMN
CC[N@@H+](C)[C@H](C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1ccccc1	ZINC000780364422	653624523	/nfs/dbraw/zinc/62/45/23/653624523.db2.gz	DNGNVJZJWDIUSA-AWEZNQCLSA-N	0	1	383.451	2.154	20	5		GEBDMN
C[C@@H]1CCCN1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000780868121	653634491	/nfs/dbraw/zinc/63/44/91/653634491.db2.gz	QKJSILASMDWXPT-SNVBAGLBSA-N	0	1	392.275	2.120	20	5		GEBDMN
C[C@H]1CCCN1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000780868336	653634499	/nfs/dbraw/zinc/63/44/99/653634499.db2.gz	WKUWEPBYFRZKHT-JTQLQIEISA-N	0	1	381.376	2.376	20	5		GEBDMN
COc1ncccc1CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000814985970	653642173	/nfs/dbraw/zinc/64/21/73/653642173.db2.gz	ZTBQERWYOIDKDZ-UHFFFAOYSA-N	0	1	375.765	2.269	20	5		GEBDMN
C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCN1C	ZINC000815018574	653643920	/nfs/dbraw/zinc/64/39/20/653643920.db2.gz	UGHXGZUQQSFILI-UWVGGRQHSA-N	0	1	379.841	2.491	20	5		GEBDMN
CCOC(=O)C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(Br)c1	ZINC000839722805	653661286	/nfs/dbraw/zinc/66/12/86/653661286.db2.gz	CAJHEAQVOCBEPS-JHJVBQTASA-N	0	1	385.214	2.225	20	5		GEBDMN
COC(=O)C[C@@](C)(NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Br)cc1	ZINC000840431508	653685468	/nfs/dbraw/zinc/68/54/68/653685468.db2.gz	FPVVKZHYWOCJIQ-LALPHHSUSA-N	0	1	385.214	2.009	20	5		GEBDMN
O=C(Nc1nc(Br)ccc1O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000783904714	653686306	/nfs/dbraw/zinc/68/63/06/653686306.db2.gz	JLHDPRMSVKPQKV-UHFFFAOYSA-N	0	1	396.153	2.481	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H](O)c2ccc(Cl)cc2)cc1	ZINC000783908987	653686569	/nfs/dbraw/zinc/68/65/69/653686569.db2.gz	DZALRSDQXIPKKL-INIZCTEOSA-N	0	1	384.841	2.345	20	5		GEBDMN
CC(C)[C@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H](O)C(F)(F)F	ZINC000786910675	653730856	/nfs/dbraw/zinc/73/08/56/653730856.db2.gz	XCUQPCOCDYOBFI-QWRGUYRKSA-N	0	1	390.767	2.474	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@@H]2CCN(CC(F)F)C2)c1	ZINC000841572162	653736464	/nfs/dbraw/zinc/73/64/64/653736464.db2.gz	MFTLHTICDNZTFQ-SSDOTTSWSA-N	0	1	387.767	2.005	20	5		GEBDMN
O=[N+]([O-])c1cccc([C@@H](O)CNCCS(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000818973882	653739682	/nfs/dbraw/zinc/73/96/82/653739682.db2.gz	XTUAEEYUPLKYIT-INIZCTEOSA-N	0	1	384.841	2.345	20	5		GEBDMN
O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC[C@H](c2n[nH]c(=O)o2)C1	ZINC000819970645	653764003	/nfs/dbraw/zinc/76/40/03/653764003.db2.gz	ONLWJUMIJPENKZ-QMMMGPOBSA-N	0	1	397.185	2.466	20	5		GEBDMN
CN(C)C1(CS(=O)(=O)Oc2cccc(Br)c2[N+](=O)[O-])CC1	ZINC000882837812	653812802	/nfs/dbraw/zinc/81/28/02/653812802.db2.gz	QRXDGCQAVKAPHR-UHFFFAOYSA-N	0	1	379.232	2.160	20	5		GEBDMN
C[C@@H](CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CCN(C)CC1	ZINC000896429137	653879722	/nfs/dbraw/zinc/87/97/22/653879722.db2.gz	SHFTVFMGVPFYCB-VIFPVBQESA-N	0	1	393.246	2.406	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl	ZINC000884955724	653897881	/nfs/dbraw/zinc/89/78/81/653897881.db2.gz	VPVWGOZBYBNZLB-VHSXEESVSA-N	0	1	377.825	2.292	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl	ZINC000884955724	653897884	/nfs/dbraw/zinc/89/78/84/653897884.db2.gz	VPVWGOZBYBNZLB-VHSXEESVSA-N	0	1	377.825	2.292	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl	ZINC000884955724	653897889	/nfs/dbraw/zinc/89/78/89/653897889.db2.gz	VPVWGOZBYBNZLB-VHSXEESVSA-N	0	1	377.825	2.292	20	5		GEBDMN
CNC(=O)c1cc2cc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)ccc2[nH]1	ZINC000794596007	653913074	/nfs/dbraw/zinc/91/30/74/653913074.db2.gz	QGJPFQHPPWQHHR-UHFFFAOYSA-N	0	1	380.407	2.298	20	5		GEBDMN
CC(C)Oc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1C(N)=O	ZINC000794611477	653913695	/nfs/dbraw/zinc/91/36/95/653913695.db2.gz	BCQSPAZECFUBCB-UHFFFAOYSA-N	0	1	385.423	2.343	20	5		GEBDMN
CN1CCN(C)CCN(Cc2cc(Br)c([N+](=O)[O-])s2)CC1	ZINC000897859296	653940623	/nfs/dbraw/zinc/94/06/23/653940623.db2.gz	ZNBGJQUSRKGZPE-UHFFFAOYSA-N	0	1	377.308	2.098	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCCCOC[C@H]2CCOC2)c1	ZINC000795853553	653970827	/nfs/dbraw/zinc/97/08/27/653970827.db2.gz	CACHIPNDRMSBJG-SNVBAGLBSA-N	0	1	396.824	2.109	20	5		GEBDMN
CN(C)c1nc(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cs1	ZINC000795865339	653972775	/nfs/dbraw/zinc/97/27/75/653972775.db2.gz	FCTVSENAHFZUTD-UHFFFAOYSA-N	0	1	394.837	2.388	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCCOc2ncccc2F)c1	ZINC000795892246	653975528	/nfs/dbraw/zinc/97/55/28/653975528.db2.gz	BHDVLMOJHPKAHN-UHFFFAOYSA-N	0	1	393.755	2.279	20	5		GEBDMN
C[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)N1CCCCC1=O	ZINC000795963710	653980275	/nfs/dbraw/zinc/98/02/75/653980275.db2.gz	QJKMKDWCHSGTLV-VIFPVBQESA-N	0	1	393.824	2.067	20	5		GEBDMN
C[C@H]1C[C@H](NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)c2ncnn21	ZINC000849424682	654031445	/nfs/dbraw/zinc/03/14/45/654031445.db2.gz	YAVXQQFIQOHBFZ-XPUUQOCRSA-N	0	1	392.224	2.477	20	5		GEBDMN
Cc1cc(C)[nH]c(=NNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)n1	ZINC000798246459	654056379	/nfs/dbraw/zinc/05/63/79/654056379.db2.gz	DLNIAMQTWCAODO-UHFFFAOYSA-N	0	1	375.769	2.100	20	5		GEBDMN
COC(=O)c1ncsc1S(=O)(=O)Nc1c(C)c([N+](=O)[O-])ccc1F	ZINC000800052383	654126274	/nfs/dbraw/zinc/12/62/74/654126274.db2.gz	UEOIDBDIQKKOJO-UHFFFAOYSA-N	0	1	375.359	2.086	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CCCC12OCCO2	ZINC000851815790	654181447	/nfs/dbraw/zinc/18/14/47/654181447.db2.gz	MRWCHKHQIIFGDN-LLVKDONJSA-N	0	1	397.236	2.476	20	5		GEBDMN
C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CCN(C2CC2)C1	ZINC000832949801	654300858	/nfs/dbraw/zinc/30/08/58/654300858.db2.gz	PCYHAIPXCQTOGK-SNVBAGLBSA-N	0	1	383.246	2.309	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]([C@@H]2CCOC2)C(F)(F)F)c(Cl)c1	ZINC000921860234	654333895	/nfs/dbraw/zinc/33/38/95/654333895.db2.gz	LCINSGUKMZJACW-HQJQHLMTSA-N	0	1	388.751	2.494	20	5		GEBDMN
CN(Cc1cnc[nH]1)C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000855137116	654397819	/nfs/dbraw/zinc/39/78/19/654397819.db2.gz	XVOKJAYOQZUWBQ-UHFFFAOYSA-N	0	1	382.218	2.175	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)ccc1CCNS(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2	ZINC000914337960	654846677	/nfs/dbraw/zinc/84/66/77/654846677.db2.gz	OSWNTAWVAGIKFG-INIZCTEOSA-N	0	1	387.889	2.196	20	5		GEBDMN
CN1CCO[C@H]2CN(c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn3)C[C@@H]21	ZINC001164669916	719469809	/nfs/dbraw/zinc/46/98/09/719469809.db2.gz	VXZSLQPCXNKCCF-HOTGVXAUSA-N	0	1	375.816	2.224	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c1	ZINC001164731034	720404739	/nfs/dbraw/zinc/40/47/39/720404739.db2.gz	YEVBGWBQLPNBGF-LSDHHAIUSA-N	0	1	375.816	2.130	20	5		GEBDMN
Cc1cc(Cl)nc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c1[N+](=O)[O-]	ZINC001164737080	720664783	/nfs/dbraw/zinc/66/47/83/720664783.db2.gz	CXXISUSRNQJIMZ-QWHCGFSZSA-N	0	1	390.831	2.084	20	5		GEBDMN
Cc1cnc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)c([N+](=O)[O-])c1	ZINC001164886746	721384430	/nfs/dbraw/zinc/38/44/30/721384430.db2.gz	GAYSTFARLHCTIX-XLIONFOSSA-N	0	1	389.500	2.064	20	5		GEBDMN
COc1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c([N+](=O)[O-])c1	ZINC001164979785	722113103	/nfs/dbraw/zinc/11/31/03/722113103.db2.gz	PYQMDCWPKFTZPV-LPHOPBHVSA-N	0	1	399.451	2.121	20	5		GEBDMN
Cc1cc(CNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])on1	ZINC000171422964	531906708	/nfs/dbraw/zinc/90/67/08/531906708.db2.gz	KMYNKLACELKJEG-UHFFFAOYSA-N	0	1	376.188	2.132	20	5		GEBDMN
CN(Cc1ccc(Br)s1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000174707114	532074705	/nfs/dbraw/zinc/07/47/05/532074705.db2.gz	LIMNIVXCRSQTKX-SNVBAGLBSA-N	0	1	375.248	2.108	20	5		GEBDMN
Cc1sc(S(=O)(=O)NC[C@H](Cc2ccccc2)N(C)C)cc1[N+](=O)[O-]	ZINC000122829863	532084287	/nfs/dbraw/zinc/08/42/87/532084287.db2.gz	NAKKFUVNQOXHRG-AWEZNQCLSA-N	0	1	383.495	2.416	20	5		GEBDMN
C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](CO)c1cccc(Br)c1	ZINC000125604493	532139740	/nfs/dbraw/zinc/13/97/40/532139740.db2.gz	ROLKCFIDQYUQNI-HNNXBMFYSA-N	0	1	396.241	2.184	20	5		GEBDMN
CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](CO)c1cccc(Br)c1	ZINC000125604493	532139745	/nfs/dbraw/zinc/13/97/45/532139745.db2.gz	ROLKCFIDQYUQNI-HNNXBMFYSA-N	0	1	396.241	2.184	20	5		GEBDMN
CCC[C@H](NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)c1nn[nH]n1	ZINC000133427248	532234276	/nfs/dbraw/zinc/23/42/76/532234276.db2.gz	BXAISVPZQDUWRO-JTQLQIEISA-N	0	1	383.206	2.450	20	5		GEBDMN
COc1cc(Br)ccc1CCCNC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000181766098	532305671	/nfs/dbraw/zinc/30/56/71/532305671.db2.gz	WHUUHAPYGOLFFH-UHFFFAOYSA-N	0	1	383.202	2.452	20	5		GEBDMN
CCc1nc(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)n[nH]1	ZINC000182241607	532310479	/nfs/dbraw/zinc/31/04/79/532310479.db2.gz	CFKWVSNSHAPQKW-UHFFFAOYSA-N	0	1	387.137	2.132	20	5		GEBDMN
CCc1n[nH]c(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)n1	ZINC000182241607	532310481	/nfs/dbraw/zinc/31/04/81/532310481.db2.gz	CFKWVSNSHAPQKW-UHFFFAOYSA-N	0	1	387.137	2.132	20	5		GEBDMN
COC(=O)[C@](C)(NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1	ZINC000186570274	532341254	/nfs/dbraw/zinc/34/12/54/532341254.db2.gz	FTCQEJXEQSAWID-CQSZACIVSA-N	0	1	387.179	2.443	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)NCCNCc2ccc(Cl)cc2F)cc1	ZINC000189290260	532351680	/nfs/dbraw/zinc/35/16/80/532351680.db2.gz	WZLYSPXUUCEEQD-UHFFFAOYSA-N	0	1	387.820	2.455	20	5		GEBDMN
C[C@](O)(CNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(F)(F)F	ZINC000295205207	532418029	/nfs/dbraw/zinc/41/80/29/532418029.db2.gz	TWVHMMRERJGYFK-VIFPVBQESA-N	0	1	397.158	2.493	20	5		GEBDMN
C[C@H]1CN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C[C@H](C)N1	ZINC000591681103	532419801	/nfs/dbraw/zinc/41/98/01/532419801.db2.gz	GOVYUOIGUQDKNW-IUCAKERBSA-N	0	1	389.193	2.022	20	5		GEBDMN
O=[N+]([O-])c1cc(Br)ccc1CN1CCN([C@H]2CCC[C@H]2O)CC1	ZINC000591843210	532426472	/nfs/dbraw/zinc/42/64/72/532426472.db2.gz	IMHSAQXSPXIZHB-GOEBONIOSA-N	0	1	384.274	2.388	20	5		GEBDMN
CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@H](O)c1ccccc1Br	ZINC000295458489	532447970	/nfs/dbraw/zinc/44/79/70/532447970.db2.gz	XYOJRCFCVJJKFL-HNNXBMFYSA-N	0	1	396.241	2.184	20	5		GEBDMN
COC(=O)[C@@H](NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C)c1ccsc1	ZINC000469037740	532487260	/nfs/dbraw/zinc/48/72/60/532487260.db2.gz	UCCOSCYTMKCOFO-AWEZNQCLSA-N	0	1	384.435	2.466	20	5		GEBDMN
COc1cc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)on1	ZINC000595344559	532558141	/nfs/dbraw/zinc/55/81/41/532558141.db2.gz	GXAANABTBRGPDH-UHFFFAOYSA-N	0	1	381.288	2.089	20	5		GEBDMN
CCc1[nH]nc(C(=O)N(C)C[C@H](O)c2ccccc2Br)c1[N+](=O)[O-]	ZINC000296852137	532547418	/nfs/dbraw/zinc/54/74/18/532547418.db2.gz	FUQZMJYRQWISKK-LBPRGKRZSA-N	0	1	397.229	2.448	20	5		GEBDMN
O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC[C@@H](c2nc[nH]n2)C1	ZINC000377182818	532647323	/nfs/dbraw/zinc/64/73/23/532647323.db2.gz	GNLLKHNHGGKSTF-SECBINFHSA-N	0	1	380.202	2.495	20	5		GEBDMN
O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCN(C2CCOCC2)CC1	ZINC000266975762	532730715	/nfs/dbraw/zinc/73/07/15/532730715.db2.gz	VYNUJSIFJHEKJJ-UHFFFAOYSA-N	0	1	398.257	2.294	20	5		GEBDMN
O=C(CSc1n[nH]c(=S)s1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1	ZINC000266976511	532731260	/nfs/dbraw/zinc/73/12/60/532731260.db2.gz	DHUAAKHPPHEKHC-UHFFFAOYSA-N	0	1	397.507	2.176	20	5		GEBDMN
CN(C)[C@@]1(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CCSC1	ZINC000267035484	532733251	/nfs/dbraw/zinc/73/32/51/532733251.db2.gz	BQQVZICBSGBVFT-CQSZACIVSA-N	0	1	395.453	2.440	20	5		GEBDMN
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CCO[C@]2(CCSC2)C1	ZINC000269151586	532776253	/nfs/dbraw/zinc/77/62/53/532776253.db2.gz	SGEPXHQHYHEASU-IINYFYTJSA-N	0	1	376.431	2.067	20	5		GEBDMN
COc1cc(CN2C[C@H](O)C[C@@H]2CO)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000359975180	212129645	/nfs/dbraw/zinc/12/96/45/212129645.db2.gz	PZGJCKPGPSBRGT-QZTJIDSGSA-N	0	1	388.420	2.110	20	5		GEBDMN
Cc1sc(C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)cc1[N+](=O)[O-]	ZINC000290272925	532877036	/nfs/dbraw/zinc/87/70/36/532877036.db2.gz	CCXROGJPWZUZOC-SECBINFHSA-N	0	1	379.360	2.495	20	5		GEBDMN
CCc1nc([C@@H](C)NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)n[nH]1	ZINC000290822315	532890603	/nfs/dbraw/zinc/89/06/03/532890603.db2.gz	TXXWBOISELGURQ-ZCFIWIBFSA-N	0	1	377.785	2.107	20	5		GEBDMN
O=C(CN1CCN([C@@H]2CCSC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000361943303	532894136	/nfs/dbraw/zinc/89/41/36/532894136.db2.gz	KUQGJAGYMXTAGC-CYBMUJFWSA-N	0	1	384.889	2.310	20	5		GEBDMN
O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1S(=O)(=O)Nc1ccc(Cl)cc1F	ZINC000738360611	599041495	/nfs/dbraw/zinc/04/14/95/599041495.db2.gz	RFVJBWXUIDTDQM-UHFFFAOYSA-N	0	1	398.763	2.368	20	5		GEBDMN
C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+](C)CCC(=O)[O-]	ZINC000817744358	596997593	/nfs/dbraw/zinc/99/75/93/596997593.db2.gz	YWHFRNOCFZYYOT-SNVBAGLBSA-N	0	1	378.410	2.452	20	5		GEBDMN
CC1(C)CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@@H+]1Cc1ccccc1	ZINC000736214663	598246207	/nfs/dbraw/zinc/24/62/07/598246207.db2.gz	SYJJNLNEMCYJME-UHFFFAOYSA-N	0	1	394.439	2.271	20	5		GEBDMN
CC1(C)CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@H+]1Cc1ccccc1	ZINC000736214663	598246208	/nfs/dbraw/zinc/24/62/08/598246208.db2.gz	SYJJNLNEMCYJME-UHFFFAOYSA-N	0	1	394.439	2.271	20	5		GEBDMN
CC[NH+]1CCN(C[C@H](C)CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000737116206	599854020	/nfs/dbraw/zinc/85/40/20/599854020.db2.gz	OUMLVOQYVMUEBY-ZQMJAJRESA-N	0	1	376.457	2.378	20	5		GEBDMN
O=C([O-])CC[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCCO1	ZINC000739715985	600516547	/nfs/dbraw/zinc/51/65/47/600516547.db2.gz	AUGTYRNIWBXQDU-LBPRGKRZSA-N	0	1	385.804	2.142	20	5		GEBDMN
O=C([O-])CC[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCCO1	ZINC000739715985	600516550	/nfs/dbraw/zinc/51/65/50/600516550.db2.gz	AUGTYRNIWBXQDU-LBPRGKRZSA-N	0	1	385.804	2.142	20	5		GEBDMN
O=[N+]([O-])c1ccc(N2CC[NH+](CCc3ccccc3)CC2)cc1-c1nnn[n-]1	ZINC000826498769	607451113	/nfs/dbraw/zinc/45/11/13/607451113.db2.gz	JCWPRXOYGUJJSV-UHFFFAOYSA-N	0	1	379.424	2.140	20	5		GEBDMN
O=[N+]([O-])c1ccc(N2CC[NH+](CCc3ccccc3)CC2)cc1-c1nn[n-]n1	ZINC000826498769	607451114	/nfs/dbraw/zinc/45/11/14/607451114.db2.gz	JCWPRXOYGUJJSV-UHFFFAOYSA-N	0	1	379.424	2.140	20	5		GEBDMN
CC[C@H]1CCCC[N@H+]1CCNc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000736941958	600637505	/nfs/dbraw/zinc/63/75/05/600637505.db2.gz	PMOUQXQYLBBQOM-AWEZNQCLSA-N	0	1	378.429	2.086	20	5		GEBDMN
Cc1ccccc1[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000826305843	607577100	/nfs/dbraw/zinc/57/71/00/607577100.db2.gz	KAGSCHARJZWXLM-LLVKDONJSA-N	0	1	388.409	2.123	20	5		GEBDMN
CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000825194415	607586864	/nfs/dbraw/zinc/58/68/64/607586864.db2.gz	QOSQZWBTRIKMMX-WDEREUQCSA-N	0	1	380.430	2.022	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)N(C2CC2)C2CCCCC2)c1-c1nn[nH]n1	ZINC000826499737	607588229	/nfs/dbraw/zinc/58/82/29/607588229.db2.gz	VCAHXWLIENUZEJ-UHFFFAOYSA-N	0	1	392.441	2.261	20	5		GEBDMN
Cc1ccc([C@@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)cc1	ZINC000826283045	607592580	/nfs/dbraw/zinc/59/25/80/607592580.db2.gz	JDWIIUCKPUOZQF-LLVKDONJSA-N	0	1	388.409	2.123	20	5		GEBDMN
C[C@H](CCC(C)(C)C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000824400947	607619934	/nfs/dbraw/zinc/61/99/34/607619934.db2.gz	NACLBWRJZZLLMY-SNVBAGLBSA-N	0	1	382.446	2.268	20	5		GEBDMN
CC(C)[C@H](CC[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)NC(=O)[O-]	ZINC000824099577	603851992	/nfs/dbraw/zinc/85/19/92/603851992.db2.gz	PXVIGAXEGSISAK-HNNXBMFYSA-N	0	1	378.429	2.098	20	5		GEBDMN
CC(C)[C@H](CC[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)NC(=O)[O-]	ZINC000824099577	603851993	/nfs/dbraw/zinc/85/19/93/603851993.db2.gz	PXVIGAXEGSISAK-HNNXBMFYSA-N	0	1	378.429	2.098	20	5		GEBDMN
Cc1nn(C[NH+]2CCC([C@@H]3CCCN3C(=O)[O-])CC2)c2ncc([N+](=O)[O-])cc12	ZINC000830870746	603908652	/nfs/dbraw/zinc/90/86/52/603908652.db2.gz	MSIUPDZSPMXNSA-INIZCTEOSA-N	0	1	388.428	2.460	20	5		GEBDMN
C[C@@H]1CC(C)(C)CC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000824877578	607662613	/nfs/dbraw/zinc/66/26/13/607662613.db2.gz	YRZYQHGBZHLRKI-GHMZBOCLSA-N	0	1	394.457	2.268	20	5		GEBDMN
C[C@@H](NC(=O)[O-])[C@H]1CCC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1	ZINC000825262258	604161133	/nfs/dbraw/zinc/16/11/33/604161133.db2.gz	AAXSLFAOKRXADR-OLZOCXBDSA-N	0	1	392.412	2.261	20	5		GEBDMN
CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1	ZINC000833417487	604935348	/nfs/dbraw/zinc/93/53/48/604935348.db2.gz	RMXGAJDYRNBLOJ-AWEZNQCLSA-N	0	1	375.425	2.307	20	5		GEBDMN
CC(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])CC1	ZINC000833498851	605019592	/nfs/dbraw/zinc/01/95/92/605019592.db2.gz	IIXXAFNFNCNSBL-UHFFFAOYSA-N	0	1	381.454	2.328	20	5		GEBDMN
O=C([O-])N1CCC[C@@H]1[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1	ZINC000834106213	605350521	/nfs/dbraw/zinc/35/05/21/605350521.db2.gz	IUORPALIBKENHD-BZUAXINKSA-N	0	1	393.440	2.189	20	5		GEBDMN
O=C([O-])N1CCC[C@@H]1[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1	ZINC000834106198	605350541	/nfs/dbraw/zinc/35/05/41/605350541.db2.gz	IUORPALIBKENHD-ARFHVFGLSA-N	0	1	393.440	2.189	20	5		GEBDMN
CCC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)[O-])CC1	ZINC000826897632	605480097	/nfs/dbraw/zinc/48/00/97/605480097.db2.gz	MKZVDHPRCYSISS-UHFFFAOYSA-N	0	1	378.429	2.412	20	5		GEBDMN
Cc1nn(C[NH+]2CCC(OCCCNC(=O)[O-])CC2)c2cc([N+](=O)[O-])ccc12	ZINC000833921554	605629846	/nfs/dbraw/zinc/62/98/46/605629846.db2.gz	UOXPRQPPDIDQEY-UHFFFAOYSA-N	0	1	391.428	2.349	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1	ZINC000823621021	606707675	/nfs/dbraw/zinc/70/76/75/606707675.db2.gz	VRWRVHBOWNSLMB-AWEZNQCLSA-N	0	1	386.460	2.262	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1	ZINC000823621021	606707676	/nfs/dbraw/zinc/70/76/76/606707676.db2.gz	VRWRVHBOWNSLMB-AWEZNQCLSA-N	0	1	386.460	2.262	20	5		GEBDMN
C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-]	ZINC000820760962	606714843	/nfs/dbraw/zinc/71/48/43/606714843.db2.gz	UOSNWXZWAOESFY-XJKSGUPXSA-N	0	1	394.439	2.492	20	5		GEBDMN
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-]	ZINC000820760962	606714844	/nfs/dbraw/zinc/71/48/44/606714844.db2.gz	UOSNWXZWAOESFY-XJKSGUPXSA-N	0	1	394.439	2.492	20	5		GEBDMN
C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-]	ZINC000820760962	606714845	/nfs/dbraw/zinc/71/48/45/606714845.db2.gz	UOSNWXZWAOESFY-XJKSGUPXSA-N	0	1	394.439	2.492	20	5		GEBDMN
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-]	ZINC000820760962	606714846	/nfs/dbraw/zinc/71/48/46/606714846.db2.gz	UOSNWXZWAOESFY-XJKSGUPXSA-N	0	1	394.439	2.492	20	5		GEBDMN
CC[C@@H](C)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000820860255	606734357	/nfs/dbraw/zinc/73/43/57/606734357.db2.gz	IOHLACPZSBWPEE-VXGBXAGGSA-N	0	1	394.457	2.364	20	5		GEBDMN
CC(C)C[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000820061463	606735380	/nfs/dbraw/zinc/73/53/80/606735380.db2.gz	BUJCFNZKFJHPOM-LBPRGKRZSA-N	0	1	394.457	2.364	20	5		GEBDMN
CCC[C@@H](C)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000821014440	607144297	/nfs/dbraw/zinc/14/42/97/607144297.db2.gz	HEOWXCGWKVQKDT-VXGBXAGGSA-N	0	1	394.457	2.364	20	5		GEBDMN
CC(C)(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1	ZINC000819984031	607166502	/nfs/dbraw/zinc/16/65/02/607166502.db2.gz	NRPHJFWRIVMVEZ-UHFFFAOYSA-N	0	1	394.439	2.419	20	5		GEBDMN
CC(C)(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1	ZINC000819984031	607166503	/nfs/dbraw/zinc/16/65/03/607166503.db2.gz	NRPHJFWRIVMVEZ-UHFFFAOYSA-N	0	1	394.439	2.419	20	5		GEBDMN
CC(C)(CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1	ZINC000819984031	607166504	/nfs/dbraw/zinc/16/65/04/607166504.db2.gz	NRPHJFWRIVMVEZ-UHFFFAOYSA-N	0	1	394.439	2.419	20	5		GEBDMN
CC(C)(CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1	ZINC000819984031	607166505	/nfs/dbraw/zinc/16/65/05/607166505.db2.gz	NRPHJFWRIVMVEZ-UHFFFAOYSA-N	0	1	394.439	2.419	20	5		GEBDMN
O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)cc1	ZINC000826498811	608872820	/nfs/dbraw/zinc/87/28/20/608872820.db2.gz	KMPMWBHSXQUUMF-UHFFFAOYSA-N	0	1	380.773	2.229	20	5		GEBDMN
Cc1noc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)n1	ZINC000447024859	649994845	/nfs/dbraw/zinc/99/48/45/649994845.db2.gz	AOUKBUFYZLNLJW-ZCFIWIBFSA-N	0	1	391.203	2.088	20	5		GEBDMN
C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)N(C)C1CC1	ZINC000447031452	649995178	/nfs/dbraw/zinc/99/51/78/649995178.db2.gz	RVDJXBSBRJSCPT-SECBINFHSA-N	0	1	392.275	2.118	20	5		GEBDMN
Cn1cc([N+](=O)[O-])c(C(=O)Nc2n[nH]c(-c3ccccc3Br)n2)n1	ZINC000539018036	650327138	/nfs/dbraw/zinc/32/71/38/650327138.db2.gz	XMOSBXGQKARSOT-UHFFFAOYSA-N	0	1	392.173	2.128	20	5		GEBDMN
O=C(CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])N1CCCCC1	ZINC000462167462	650472458	/nfs/dbraw/zinc/47/24/58/650472458.db2.gz	OGWBAKGSZLAMIS-UHFFFAOYSA-N	0	1	396.252	2.192	20	5		GEBDMN
COC(=O)[C@@H](NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C)c1ccsc1	ZINC000468786353	650506877	/nfs/dbraw/zinc/50/68/77/650506877.db2.gz	CBMSBDNPLUASLY-ZDUSSCGKSA-N	0	1	384.435	2.466	20	5		GEBDMN
Cc1ccc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2C)cc1[N+](=O)[O-]	ZINC000510119451	650506903	/nfs/dbraw/zinc/50/69/03/650506903.db2.gz	OZJROLPHUVUSKU-UHFFFAOYSA-N	0	1	384.435	2.416	20	5		GEBDMN
C[S@](=O)Cc1ccc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1	ZINC000510656183	650516036	/nfs/dbraw/zinc/51/60/36/650516036.db2.gz	DUCUPNPLPQYQFD-DEOSSOPVSA-N	0	1	386.426	2.091	20	5		GEBDMN
CCOC(=O)C[C@@](C)(NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(C)C	ZINC000478760973	650591743	/nfs/dbraw/zinc/59/17/43/650591743.db2.gz	CYPRAKQTCHEZFP-OAHLLOKOSA-N	0	1	376.406	2.380	20	5		GEBDMN
CCc1n[nH]c(Sc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)n1	ZINC000042633141	642553741	/nfs/dbraw/zinc/55/37/41/642553741.db2.gz	OHZSBPSCBTXUFJ-UHFFFAOYSA-N	0	1	383.455	2.211	20	5		GEBDMN
CCc1nc(Sc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)n[nH]1	ZINC000042633141	642553746	/nfs/dbraw/zinc/55/37/46/642553746.db2.gz	OHZSBPSCBTXUFJ-UHFFFAOYSA-N	0	1	383.455	2.211	20	5		GEBDMN
Cc1c(C(=O)Nc2cccc(Cl)c2O)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000533963861	650767741	/nfs/dbraw/zinc/76/77/41/650767741.db2.gz	CWCVGYDXQCKJDJ-UHFFFAOYSA-N	0	1	385.785	2.162	20	5		GEBDMN
CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000534942774	650782490	/nfs/dbraw/zinc/78/24/90/650782490.db2.gz	LTRPCBIBMLDQTH-UHFFFAOYSA-N	0	1	384.435	2.498	20	5		GEBDMN
Cc1[nH]nc(C(=O)N(C)CC(=O)Nc2ccccc2Br)c1[N+](=O)[O-]	ZINC000536066069	650795433	/nfs/dbraw/zinc/79/54/33/650795433.db2.gz	ZVQXEYWAZUVWRF-UHFFFAOYSA-N	0	1	396.201	2.100	20	5		GEBDMN
O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCN(CCCO)CC1	ZINC000536087059	650796258	/nfs/dbraw/zinc/79/62/58/650796258.db2.gz	VONVNDDFTVGIJY-UHFFFAOYSA-N	0	1	395.257	2.410	20	5		GEBDMN
CCN(CCNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C1CC1	ZINC000102932972	643147409	/nfs/dbraw/zinc/14/74/09/643147409.db2.gz	KKTTWMVSNNBGIM-UHFFFAOYSA-N	0	1	392.275	2.120	20	5		GEBDMN
C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2I)C[C@H](C)N1	ZINC000154238793	644027483	/nfs/dbraw/zinc/02/74/83/644027483.db2.gz	JHZLDVADPRUAFX-DTORHVGOSA-N	0	1	389.193	2.022	20	5		GEBDMN
Cc1cnc(CNS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])o1	ZINC000175600784	644392083	/nfs/dbraw/zinc/39/20/83/644392083.db2.gz	BJHXRXUODCHEIZ-UHFFFAOYSA-N	0	1	376.188	2.132	20	5		GEBDMN
COc1cc(CN[C@@H](C)C[S@@](C)=O)c([N+](=O)[O-])cc1OCC(F)(F)F	ZINC000184257120	645013910	/nfs/dbraw/zinc/01/39/10/645013910.db2.gz	BBCQZLYGNYOXST-OLUQVHSISA-N	0	1	384.376	2.401	20	5		GEBDMN
CCO[C@@H]1COCC[C@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000546074651	650990710	/nfs/dbraw/zinc/99/07/10/650990710.db2.gz	GEPXDRDDIWSEGS-ZYHUDNBSSA-N	0	1	399.252	2.374	20	5		GEBDMN
COc1ccc(Br)cc1CN(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000266472804	645845024	/nfs/dbraw/zinc/84/50/24/645845024.db2.gz	RTSGVGJBGYRYLP-AWEZNQCLSA-N	0	1	399.245	2.055	20	5		GEBDMN
CC(C)[C@H](CNc1c(Br)cncc1[N+](=O)[O-])N1CCN(C)CC1	ZINC000271012760	646166094	/nfs/dbraw/zinc/16/60/94/646166094.db2.gz	XZVGPRNYJICAKJ-ZDUSSCGKSA-N	0	1	386.294	2.436	20	5		GEBDMN
CCc1nn(C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000271407846	646202642	/nfs/dbraw/zinc/20/26/42/646202642.db2.gz	XOHXCWSNIQCDCT-UHFFFAOYSA-N	0	1	389.231	2.454	20	5		GEBDMN
CC(C)NC(=O)[C@@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000416626196	648192030	/nfs/dbraw/zinc/19/20/30/648192030.db2.gz	UGKRRIZWEKHWDD-SSDOTTSWSA-N	0	1	384.241	2.093	20	5		GEBDMN
CN(C[C@H]1CCCN1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000420771579	648454950	/nfs/dbraw/zinc/45/49/50/648454950.db2.gz	SFHFGCLSINOORB-LLVKDONJSA-N	0	1	381.376	2.328	20	5		GEBDMN
C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)N1CCCC1	ZINC000548370038	651078054	/nfs/dbraw/zinc/07/80/54/651078054.db2.gz	KVEPHQQWEWUXMR-JTQLQIEISA-N	0	1	381.376	2.376	20	5		GEBDMN
Nc1ccc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)cc1[N+](=O)[O-]	ZINC000726764867	651501416	/nfs/dbraw/zinc/50/14/16/651501416.db2.gz	OHALONQDFGESIF-UHFFFAOYSA-N	0	1	385.785	2.402	20	5		GEBDMN
C[C@@H](CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])N1CCCC1	ZINC000614832473	651840354	/nfs/dbraw/zinc/84/03/54/651840354.db2.gz	NEEMJBKOHIRTEO-JTQLQIEISA-N	0	1	392.275	2.120	20	5		GEBDMN
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@@H](O)c1c(F)cccc1F	ZINC000751433993	652348931	/nfs/dbraw/zinc/34/89/31/652348931.db2.gz	BTCYUFOJUHDEAW-GFCCVEGCSA-N	0	1	376.312	2.024	20	5		GEBDMN
CC[C@@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)OC	ZINC000592076822	652584050	/nfs/dbraw/zinc/58/40/50/652584050.db2.gz	FAMPXIPOZNUHMJ-ZETCQYMHSA-N	0	1	385.225	2.379	20	5		GEBDMN
CN(C)[C@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccccc1Cl	ZINC000594743538	652679744	/nfs/dbraw/zinc/67/97/44/652679744.db2.gz	GSUJVQDMLHOAHD-CQSZACIVSA-N	0	1	384.845	2.224	20	5		GEBDMN
O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@H](OC1CCCC1)C(F)(F)F	ZINC000594818981	652687645	/nfs/dbraw/zinc/68/76/45/652687645.db2.gz	MOXHSDUZMIWFIK-NSHDSACASA-N	0	1	383.348	2.158	20	5		GEBDMN
COC(=O)[C@H](NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C)c1cccs1	ZINC000598602269	652823724	/nfs/dbraw/zinc/82/37/24/652823724.db2.gz	RUNXRJOBHMQWAV-CYBMUJFWSA-N	0	1	384.435	2.466	20	5		GEBDMN
C[C@H]1C[C@H](NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCN1C	ZINC000765195905	652830394	/nfs/dbraw/zinc/83/03/94/652830394.db2.gz	URYPKEKECGIHDJ-VHSXEESVSA-N	0	1	392.275	2.118	20	5		GEBDMN
O=C(NCc1n[nH]c([C@H]2CCCO2)n1)c1c(Br)cccc1[N+](=O)[O-]	ZINC000600085011	652902522	/nfs/dbraw/zinc/90/25/22/652902522.db2.gz	CULNVACDUDMVOQ-SNVBAGLBSA-N	0	1	396.201	2.257	20	5		GEBDMN
CN(C)C[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000771957983	653134619	/nfs/dbraw/zinc/13/46/19/653134619.db2.gz	AYZMNSZDGLFIRS-JTQLQIEISA-N	0	1	392.275	2.072	20	5		GEBDMN
Cc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1S(C)(=O)=O	ZINC000768886244	653135813	/nfs/dbraw/zinc/13/58/13/653135813.db2.gz	ARFKCUZKNKPGSU-UHFFFAOYSA-N	0	1	376.437	2.169	20	5		GEBDMN
C[N@@H+]1CCCC[C@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1	ZINC000859303675	653438055	/nfs/dbraw/zinc/43/80/55/653438055.db2.gz	XQDXMKPWXHQHLX-SNVBAGLBSA-N	0	1	379.841	2.398	20	5		GEBDMN
C[N@H+]1CCCC[C@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1	ZINC000859303675	653438061	/nfs/dbraw/zinc/43/80/61/653438061.db2.gz	XQDXMKPWXHQHLX-SNVBAGLBSA-N	0	1	379.841	2.398	20	5		GEBDMN
Cn1ncc(I)c1CNCCc1ccc([N+](=O)[O-])cc1	ZINC000877776448	653619481	/nfs/dbraw/zinc/61/94/81/653619481.db2.gz	KUKXUJYFVJRIRJ-UHFFFAOYSA-N	0	1	386.193	2.265	20	5		GEBDMN
C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)N1CCCC1	ZINC000780704697	653631070	/nfs/dbraw/zinc/63/10/70/653631070.db2.gz	QZQOUWLNBBPQPO-JTQLQIEISA-N	0	1	392.275	2.120	20	5		GEBDMN
CO[C@@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(F)(F)F	ZINC000815013163	653643427	/nfs/dbraw/zinc/64/34/27/653643427.db2.gz	QXLRSPQSJRSLQF-VIFPVBQESA-N	0	1	380.703	2.243	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CC[N@H+](CC2CC2)C1	ZINC000815014645	653643603	/nfs/dbraw/zinc/64/36/03/653643603.db2.gz	WEDDMWLEWTWEQB-JTQLQIEISA-N	0	1	377.825	2.150	20	5		GEBDMN
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CC[N@@H+](CC2CC2)C1	ZINC000815014645	653643605	/nfs/dbraw/zinc/64/36/05/653643605.db2.gz	WEDDMWLEWTWEQB-JTQLQIEISA-N	0	1	377.825	2.150	20	5		GEBDMN
CS[C@H]1CN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@H]1N(C)C	ZINC000815028980	653645908	/nfs/dbraw/zinc/64/59/08/653645908.db2.gz	IJDWLSNSAPBALS-NEPJUHHUSA-N	0	1	397.881	2.053	20	5		GEBDMN
C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Br)cc1OCCCO	ZINC000840462232	653686108	/nfs/dbraw/zinc/68/61/08/653686108.db2.gz	JJQGBCQQNYFYOV-OASPWFOLSA-N	0	1	387.230	2.053	20	5		GEBDMN
COC(=O)[C@@H](CC1CC1)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000841555606	653732394	/nfs/dbraw/zinc/73/23/94/653732394.db2.gz	KQUGCTGBMXSQLD-SNVBAGLBSA-N	0	1	380.781	2.007	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H](O)c2ccccc2Cl)cc1	ZINC000819230049	653746755	/nfs/dbraw/zinc/74/67/55/653746755.db2.gz	UCWKYZUZUKIEOV-INIZCTEOSA-N	0	1	384.841	2.345	20	5		GEBDMN
O=C(NCc1cc(Cl)cc(I)c1)[C@@H]1CC1[N+](=O)[O-]	ZINC000819603583	653754468	/nfs/dbraw/zinc/75/44/68/653754468.db2.gz	PJIKYPVHEMMGNB-NXEZZACHSA-N	0	1	380.569	2.226	20	5		GEBDMN
O=C(NCCCc1nc[nH]n1)c1cc(Br)cc([N+](=O)[O-])c1Cl	ZINC000846647742	653905564	/nfs/dbraw/zinc/90/55/64/653905564.db2.gz	VOFNXVDGCGASJT-UHFFFAOYSA-N	0	1	388.609	2.491	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCCCCn2ccnc2)c1	ZINC000795920265	653977576	/nfs/dbraw/zinc/97/75/76/653977576.db2.gz	XLROTYCIMPLYFZ-UHFFFAOYSA-N	0	1	376.797	2.343	20	5		GEBDMN
CCn1cccc(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c1=O	ZINC000795960997	653979979	/nfs/dbraw/zinc/97/99/79/653979979.db2.gz	VHCADFAWMRSPTL-UHFFFAOYSA-N	0	1	389.792	2.047	20	5		GEBDMN
CC(C)(C)N1CC[C@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1=O	ZINC000827814447	654008946	/nfs/dbraw/zinc/00/89/46/654008946.db2.gz	DZMWEULXTMCURS-JTQLQIEISA-N	0	1	393.824	2.065	20	5		GEBDMN
C[C@H]1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CN1C1CC1	ZINC000798226768	654055418	/nfs/dbraw/zinc/05/54/18/654055418.db2.gz	FISTXAIMMOPHJK-DTWKUNHWSA-N	0	1	377.825	2.291	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC[C@@H](O)Cc2ccccc2)c1	ZINC000798227944	654055611	/nfs/dbraw/zinc/05/56/11/654055611.db2.gz	BCPUSMPBDRPTCA-LBPRGKRZSA-N	0	1	388.804	2.269	20	5		GEBDMN
O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[C@H]2[C@@H]1CCCN2CCO	ZINC000900790876	654080332	/nfs/dbraw/zinc/08/03/32/654080332.db2.gz	AIOHXNUIGMDNAU-STQMWFEESA-N	0	1	398.257	2.029	20	5		GEBDMN
O=C([O-])[C@]12C[N@H+](Cc3cc(Br)c([N+](=O)[O-])s3)C[C@H]1COCC2	ZINC000901949005	654156661	/nfs/dbraw/zinc/15/66/61/654156661.db2.gz	ANXRMNHNGLLAQF-ISVAXAHUSA-N	0	1	391.243	2.342	20	5		GEBDMN
O=C([O-])[C@]12C[N@@H+](Cc3cc(Br)c([N+](=O)[O-])s3)C[C@H]1COCC2	ZINC000901949005	654156663	/nfs/dbraw/zinc/15/66/63/654156663.db2.gz	ANXRMNHNGLLAQF-ISVAXAHUSA-N	0	1	391.243	2.342	20	5		GEBDMN
O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@@H]2[C@H]1CCCN2CCO	ZINC000889744992	654166152	/nfs/dbraw/zinc/16/61/52/654166152.db2.gz	QLBUUYLJAPHCSN-CHWSQXEVSA-N	0	1	398.257	2.029	20	5		GEBDMN
CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000800930302	654168897	/nfs/dbraw/zinc/16/88/97/654168897.db2.gz	JJWORLNONXOFHO-UHFFFAOYSA-N	0	1	388.789	2.257	20	5		GEBDMN
COC[C@@H]1CNCCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C	ZINC000904462241	654311513	/nfs/dbraw/zinc/31/15/13/654311513.db2.gz	OZSKLOBKYHZAPG-NSHDSACASA-N	0	1	387.234	2.118	20	5		GEBDMN
O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2CC[C@H](C(F)(F)F)O2)cc1	ZINC000905515338	654362425	/nfs/dbraw/zinc/36/24/25/654362425.db2.gz	CVJCLQXEDVFSKN-WCQYABFASA-N	0	1	382.360	2.068	20	5		GEBDMN
Cc1nc(CN2CCN(c3cccc(Br)c3[N+](=O)[O-])CC2)n[nH]1	ZINC000856738589	654488887	/nfs/dbraw/zinc/48/88/87/654488887.db2.gz	PJGWHRGVZCJSTK-UHFFFAOYSA-N	0	1	381.234	2.106	20	5		GEBDMN
Cn1cc(CN[C@](C)(CO)Cc2ccc(Br)cc2)c([N+](=O)[O-])n1	ZINC000933438846	654813474	/nfs/dbraw/zinc/81/34/74/654813474.db2.gz	GLRLPRQKSVDXPH-HNNXBMFYSA-N	0	1	383.246	2.174	20	5		GEBDMN
Cc1cc([N+](=O)[O-])c(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1Cl	ZINC001164737253	720669037	/nfs/dbraw/zinc/66/90/37/720669037.db2.gz	DUMSXUJEXGDKDC-STQMWFEESA-N	0	1	390.831	2.084	20	5		GEBDMN
COc1ncnc(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)c1[N+](=O)[O-]	ZINC001164862977	720960425	/nfs/dbraw/zinc/96/04/25/720960425.db2.gz	XNHJTBGLQIGLDW-GFCCVEGCSA-N	0	1	375.433	2.011	20	5		GEBDMN
Cn1cc(CN2CC[C@@H]3CN(c4cc(Cl)ncc4[N+](=O)[O-])C[C@H]3C2)cn1	ZINC001164761589	721090664	/nfs/dbraw/zinc/09/06/64/721090664.db2.gz	CAZFBSAKTFYWKA-ZIAGYGMSSA-N	0	1	376.848	2.335	20	5		GEBDMN
O=C(N[C@H]1CCN(c2ccccc2Br)C1)c1n[nH]cc1[N+](=O)[O-]	ZINC000155365216	531678575	/nfs/dbraw/zinc/67/85/75/531678575.db2.gz	HYNQSNCDLWOGRX-VIFPVBQESA-N	0	1	380.202	2.089	20	5		GEBDMN
COC(=O)C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(Br)cc1	ZINC000159707207	531791138	/nfs/dbraw/zinc/79/11/38/531791138.db2.gz	GFCDVPHGEMTGET-JTQLQIEISA-N	0	1	397.185	2.115	20	5		GEBDMN
CN(C1CCN(C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000162668171	531845649	/nfs/dbraw/zinc/84/56/49/531845649.db2.gz	GGRHZDORGNUFGQ-UHFFFAOYSA-N	0	1	381.376	2.328	20	5		GEBDMN
C[C@@H](CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[S@](C)=O	ZINC000124074713	532113538	/nfs/dbraw/zinc/11/35/38/532113538.db2.gz	YZFHNZIABPZBSM-MWAODPMSSA-N	0	1	389.282	2.337	20	5		GEBDMN
Cc1nc(C)c([C@H](C)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1	ZINC000178005488	532189596	/nfs/dbraw/zinc/18/95/96/532189596.db2.gz	TWBXCVOOXQZHSB-JTQLQIEISA-N	0	1	384.483	2.297	20	5		GEBDMN
CC(C)c1ncc(CNCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])s1	ZINC000132746302	532220507	/nfs/dbraw/zinc/22/05/07/532220507.db2.gz	KNPQVTRAIGIBEM-UHFFFAOYSA-N	0	1	384.483	2.243	20	5		GEBDMN
CCc1nn(C)c(OC)c1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000180172445	532259696	/nfs/dbraw/zinc/25/96/96/532259696.db2.gz	UWZDIQOEKLFDAS-UHFFFAOYSA-N	0	1	388.833	2.031	20	5		GEBDMN
Cc1c([C@@H](C)NC[C@H](O)CS(=O)(=O)c2cccs2)cccc1[N+](=O)[O-]	ZINC000181634647	532303793	/nfs/dbraw/zinc/30/37/93/532303793.db2.gz	QWYQNBZCXFYJSX-OLZOCXBDSA-N	0	1	384.479	2.450	20	5		GEBDMN
C[C@@H](CN1CCN(C)CC1)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000182648549	532316020	/nfs/dbraw/zinc/31/60/20/532316020.db2.gz	MBKZGEFZETZNPS-LBPRGKRZSA-N	0	1	386.905	2.092	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@@H](c2nc[nH]n2)C1	ZINC000425216919	532375081	/nfs/dbraw/zinc/37/50/81/532375081.db2.gz	SPDORASGEAVOFK-SSDOTTSWSA-N	0	1	392.224	2.198	20	5		GEBDMN
O=C(Nc1nc(SCCO)n[nH]1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-]	ZINC000295092380	532402361	/nfs/dbraw/zinc/40/23/61/532402361.db2.gz	XYCXOAIDIMXGNG-UHFFFAOYSA-N	0	1	377.304	2.068	20	5		GEBDMN
COc1ccc(S(=O)(=O)Nc2ccc(OC(F)F)cn2)cc1[N+](=O)[O-]	ZINC000427646502	532429148	/nfs/dbraw/zinc/42/91/48/532429148.db2.gz	ROMWPTPWPIBRMX-UHFFFAOYSA-N	0	1	375.309	2.401	20	5		GEBDMN
CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H](O)c1ccccc1Br	ZINC000295458491	532449012	/nfs/dbraw/zinc/44/90/12/532449012.db2.gz	XYOJRCFCVJJKFL-OAHLLOKOSA-N	0	1	396.241	2.184	20	5		GEBDMN
COC(=O)[C@H](NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C)c1ccsc1	ZINC000469038005	532486814	/nfs/dbraw/zinc/48/68/14/532486814.db2.gz	UCCOSCYTMKCOFO-CQSZACIVSA-N	0	1	384.435	2.466	20	5		GEBDMN
COc1cc(S(=O)(=O)Nc2ccc(C(N)=O)c(Cl)c2)ccc1[N+](=O)[O-]	ZINC000469126371	532492740	/nfs/dbraw/zinc/49/27/40/532492740.db2.gz	YVFRAHFYIFHJDT-UHFFFAOYSA-N	0	1	385.785	2.157	20	5		GEBDMN
Cc1nnc([C@@H](C)NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)[nH]1	ZINC000296062966	532498111	/nfs/dbraw/zinc/49/81/11/532498111.db2.gz	PCJLBXBJPNDZAM-RXMQYKEDSA-N	0	1	380.213	2.368	20	5		GEBDMN
O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCCN(CCCO)C1	ZINC000296418094	532520205	/nfs/dbraw/zinc/52/02/05/532520205.db2.gz	LCPBUPNWUQRSKV-ZDUSSCGKSA-N	0	1	387.889	2.303	20	5		GEBDMN
C[C@@H](NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)c1ncnn1C	ZINC000296510050	532524438	/nfs/dbraw/zinc/52/44/38/532524438.db2.gz	ZPUBXDQPFWFKNU-ZCFIWIBFSA-N	0	1	380.213	2.070	20	5		GEBDMN
CCCN1CC[C@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1	ZINC000595354861	532559142	/nfs/dbraw/zinc/55/91/42/532559142.db2.gz	NHEAFWZXKNEAKR-NSHDSACASA-N	0	1	392.275	2.120	20	5		GEBDMN
O=C([C@@H]1C[C@H]1c1nc[nH]n1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1	ZINC000375867819	532584073	/nfs/dbraw/zinc/58/40/73/532584073.db2.gz	RCNNFQILGAWVMP-NXEZZACHSA-N	0	1	392.213	2.164	20	5		GEBDMN
COC[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCO1	ZINC000433477824	532570847	/nfs/dbraw/zinc/57/08/47/532570847.db2.gz	OHFHUCKXEGTQRI-PWSUYJOCSA-N	0	1	399.252	2.374	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCc1cnccn1	ZINC000530426191	532619893	/nfs/dbraw/zinc/61/98/93/532619893.db2.gz	DLNXCHOWMSOOCB-UHFFFAOYSA-N	0	1	377.209	2.213	20	5		GEBDMN
Cc1[nH]nc(C(=O)N(C)C[C@@H](O)c2cccc(Br)c2)c1[N+](=O)[O-]	ZINC000298374473	532644714	/nfs/dbraw/zinc/64/47/14/532644714.db2.gz	PLUUCVUHMUDLNO-LLVKDONJSA-N	0	1	383.202	2.194	20	5		GEBDMN
Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2	ZINC000477415271	532651598	/nfs/dbraw/zinc/65/15/98/532651598.db2.gz	BHICOAOWRPHYJG-UHFFFAOYSA-N	0	1	382.419	2.034	20	5		GEBDMN
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)CC2	ZINC000477431294	532653149	/nfs/dbraw/zinc/65/31/49/532653149.db2.gz	LDIMWVYARQOVFL-UHFFFAOYSA-N	0	1	382.419	2.034	20	5		GEBDMN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)n1	ZINC000599298635	532658244	/nfs/dbraw/zinc/65/82/44/532658244.db2.gz	ZFZPCIRLLWPRLT-GZMMTYOYSA-N	0	1	391.236	2.470	20	5		GEBDMN
Cc1[nH]nc(C(=O)N(CCO)Cc2cccc(Br)c2)c1[N+](=O)[O-]	ZINC000489100802	532704991	/nfs/dbraw/zinc/70/49/91/532704991.db2.gz	JESJBKIQQHQWJN-UHFFFAOYSA-N	0	1	383.202	2.024	20	5		GEBDMN
Cn1cc([N+](=O)[O-])c(C(=O)Nc2n[nH]c(-c3ccc(Br)cc3)n2)n1	ZINC000512292233	532777341	/nfs/dbraw/zinc/77/73/41/532777341.db2.gz	AESNRHVOKCHPSJ-UHFFFAOYSA-N	0	1	392.173	2.128	20	5		GEBDMN
COCCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc([N+](=O)[O-])cc1Cl	ZINC000272925753	532819875	/nfs/dbraw/zinc/81/98/75/532819875.db2.gz	HBRGPHLCDFDYFX-ZDUSSCGKSA-N	0	1	385.829	2.231	20	5		GEBDMN
CCN1CCC[C@H]1CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000331197338	532835567	/nfs/dbraw/zinc/83/55/67/532835567.db2.gz	YVCXOEZAKPPGAD-NSHDSACASA-N	0	1	392.275	2.120	20	5		GEBDMN
O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2C[C@H](O)C[C@H]2CO)cc1	ZINC000359974497	212129253	/nfs/dbraw/zinc/12/92/53/212129253.db2.gz	OXHQZHBTZVUOBL-VQTJNVASSA-N	0	1	394.431	2.375	20	5		GEBDMN
COc1ccc(-c2n[nH]c(CNC(=O)c3ccc(OC)c([N+](=O)[O-])c3)n2)cc1	ZINC000359928627	212125193	/nfs/dbraw/zinc/12/51/93/212125193.db2.gz	WGADKKMNUQVQQI-UHFFFAOYSA-N	0	1	383.364	2.327	20	5		GEBDMN
COc1ccc(-c2nc(CNC(=O)c3ccc(OC)c([N+](=O)[O-])c3)n[nH]2)cc1	ZINC000359928627	212125194	/nfs/dbraw/zinc/12/51/94/212125194.db2.gz	WGADKKMNUQVQQI-UHFFFAOYSA-N	0	1	383.364	2.327	20	5		GEBDMN
CCN(CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1	ZINC000416392486	532875156	/nfs/dbraw/zinc/87/51/56/532875156.db2.gz	UZIIMBKTIQXVHG-UHFFFAOYSA-N	0	1	381.376	2.376	20	5		GEBDMN
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1C[NH2+]C[C@H]1c1ccccc1	ZINC000420457746	532883678	/nfs/dbraw/zinc/88/36/78/532883678.db2.gz	JGUPEZZHYKDUCK-GXTWGEPZSA-N	0	1	381.841	2.282	20	5		GEBDMN
CCc1[nH]nc(C(=O)N2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1Br	ZINC000363745240	532900503	/nfs/dbraw/zinc/90/05/03/532900503.db2.gz	HYPLEEIOXSSGCV-VIFPVBQESA-N	0	1	397.233	2.317	20	5		GEBDMN
CN1CCC[C@@]2(CCN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)C2)C1	ZINC000292819752	532918944	/nfs/dbraw/zinc/91/89/44/532918944.db2.gz	NXOVRXVPYGODIO-OAHLLOKOSA-N	0	1	391.852	2.494	20	5		GEBDMN
O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1S(=O)(=O)Nc1cc(F)ccc1Cl	ZINC000738358895	599043130	/nfs/dbraw/zinc/04/31/30/599043130.db2.gz	DSBLQWYOSAAXDC-UHFFFAOYSA-N	0	1	398.763	2.368	20	5		GEBDMN
O=C([O-])C[N@@H+]1CCC[C@H]1COC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000821532850	598067244	/nfs/dbraw/zinc/06/72/44/598067244.db2.gz	VWJIRBNMPRUFNP-ZDUSSCGKSA-N	0	1	391.405	2.424	20	5		GEBDMN
O=C([O-])C[N@H+]1CCC[C@H]1COC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000821532850	598067248	/nfs/dbraw/zinc/06/72/48/598067248.db2.gz	VWJIRBNMPRUFNP-ZDUSSCGKSA-N	0	1	391.405	2.424	20	5		GEBDMN
Cc1cccc(NC[C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])C2)n1	ZINC000737399972	598671519	/nfs/dbraw/zinc/67/15/19/598671519.db2.gz	QMZLDVXSHJPSGZ-CYBMUJFWSA-N	0	1	380.412	2.417	20	5		GEBDMN
Cc1ccnc(NC[C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])C2)c1	ZINC000737438048	598671781	/nfs/dbraw/zinc/67/17/81/598671781.db2.gz	XYJQJWUOWFYZTI-CYBMUJFWSA-N	0	1	380.412	2.417	20	5		GEBDMN
C[C@H](NC(=O)c1ccc(N(C)CC[C@@H]2CCCC[N@H+]2C)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827694423	600820948	/nfs/dbraw/zinc/82/09/48/600820948.db2.gz	FPLUYSZRHDXZJO-ZFWWWQNUSA-N	0	1	392.456	2.108	20	5		GEBDMN
Cc1cc(NC[C@]2([NH+]3CCOCC3)CCSC2)cc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000520233922	601545049	/nfs/dbraw/zinc/54/50/49/601545049.db2.gz	KKLYFXNTDIGELJ-QGZVFWFLSA-N	0	1	381.454	2.221	20	5		GEBDMN
O=C(Cc1ccccc1[N+](=O)[O-])N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1	ZINC000833119006	601732898	/nfs/dbraw/zinc/73/28/98/601732898.db2.gz	SQWLWPCVWGCGFE-NRFANRHFSA-N	0	1	397.431	2.373	20	5		GEBDMN
O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1	ZINC000833118671	601734800	/nfs/dbraw/zinc/73/48/00/601734800.db2.gz	OMXKAOJZVXUXIN-NRFANRHFSA-N	0	1	397.431	2.373	20	5		GEBDMN
Nc1ccc(C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-]	ZINC000833090306	601778245	/nfs/dbraw/zinc/77/82/45/601778245.db2.gz	HTBBJLMTVHJHPH-HXUWFJFHSA-N	0	1	398.419	2.026	20	5		GEBDMN
O=C([O-])N1CCC([N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C2CC2)CC1	ZINC000740498952	601932092	/nfs/dbraw/zinc/93/20/92/601932092.db2.gz	AXVDMECLWRJGCF-UHFFFAOYSA-N	0	1	388.424	2.091	20	5		GEBDMN
Cc1cc(N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000576994681	602317499	/nfs/dbraw/zinc/31/74/99/602317499.db2.gz	TVYAFJPTIKKBFG-OAHLLOKOSA-N	0	1	376.457	2.208	20	5		GEBDMN
Cc1ccc([C@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)cc1	ZINC000826283046	607592710	/nfs/dbraw/zinc/59/27/10/607592710.db2.gz	JDWIIUCKPUOZQF-NSHDSACASA-N	0	1	388.409	2.123	20	5		GEBDMN
CC(C)[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000824214811	607606125	/nfs/dbraw/zinc/60/61/25/607606125.db2.gz	IFOPAOZGPKMGRK-VXGBXAGGSA-N	0	1	394.457	2.268	20	5		GEBDMN
CCC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000825251567	607606317	/nfs/dbraw/zinc/60/63/17/607606317.db2.gz	CLJKAEGSYAMGRK-RYUDHWBXSA-N	0	1	394.457	2.412	20	5		GEBDMN
CCCC[C@@H](CCC)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000825258883	607662332	/nfs/dbraw/zinc/66/23/32/607662332.db2.gz	GOVUDBHIDNINAB-LLVKDONJSA-N	0	1	382.446	2.412	20	5		GEBDMN
C[N@H+]1CCC[C@H](N2CCN(c3cc(Cl)c(C(=O)[O-])cc3[N+](=O)[O-])CC2)C1	ZINC000830934607	604267323	/nfs/dbraw/zinc/26/73/23/604267323.db2.gz	INTVDHMLZVVOSP-LBPRGKRZSA-N	0	1	382.848	2.163	20	5		GEBDMN
C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-]	ZINC000833590086	604838894	/nfs/dbraw/zinc/83/88/94/604838894.db2.gz	ZEHUXSBLDAXRIN-VXGBXAGGSA-N	0	1	381.454	2.326	20	5		GEBDMN
C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-]	ZINC000833590086	604838896	/nfs/dbraw/zinc/83/88/96/604838896.db2.gz	ZEHUXSBLDAXRIN-VXGBXAGGSA-N	0	1	381.454	2.326	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(CCC[NH+]2CCCC2)CC1	ZINC000826497226	607734575	/nfs/dbraw/zinc/73/45/75/607734575.db2.gz	YVWXLXODACDRSE-UHFFFAOYSA-N	0	1	386.460	2.262	20	5		GEBDMN
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(CCC[NH+]2CCCC2)CC1	ZINC000826497226	607734576	/nfs/dbraw/zinc/73/45/76/607734576.db2.gz	YVWXLXODACDRSE-UHFFFAOYSA-N	0	1	386.460	2.262	20	5		GEBDMN
O=C([O-])N[C@@H]1CCC[C@H]2C[N@@H+](Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C[C@@H]21	ZINC000834177859	605321581	/nfs/dbraw/zinc/32/15/81/605321581.db2.gz	DADROQIORCNRIX-SOUVJXGZSA-N	0	1	386.412	2.179	20	5		GEBDMN
O=C([O-])N[C@@H]1CCC[C@H]2C[N@@H+](Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]21	ZINC000834187144	605323837	/nfs/dbraw/zinc/32/38/37/605323837.db2.gz	YLPQWIGASYMNGG-CWRNSKLLSA-N	0	1	386.412	2.179	20	5		GEBDMN
COc1cc(C[N@H+](C)[C@@H]2CCN(C(=O)[O-])C2)c([N+](=O)[O-])cc1OCC(F)F	ZINC000833887621	605575147	/nfs/dbraw/zinc/57/51/47/605575147.db2.gz	UZLUSVRWWABUAF-LLVKDONJSA-N	0	1	389.355	2.431	20	5		GEBDMN
COc1cc(C[N@@H+](C)[C@@H]2CCN(C(=O)[O-])C2)c([N+](=O)[O-])cc1OCC(F)F	ZINC000833887621	605575149	/nfs/dbraw/zinc/57/51/49/605575149.db2.gz	UZLUSVRWWABUAF-LLVKDONJSA-N	0	1	389.355	2.431	20	5		GEBDMN
O=C([O-])N1CCC2(CC[N@@H+](Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C2)CC1	ZINC000834091607	605862532	/nfs/dbraw/zinc/86/25/32/605862532.db2.gz	FQBGJUWCFSUZTG-UHFFFAOYSA-N	0	1	386.412	2.277	20	5		GEBDMN
C[C@H](NC(=O)[O-])[C@H]1CCC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1	ZINC000833813411	605954870	/nfs/dbraw/zinc/95/48/70/605954870.db2.gz	OTGKXAOCLNYLBI-KBPBESRZSA-N	0	1	391.428	2.162	20	5		GEBDMN
C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1	ZINC000833813411	605954872	/nfs/dbraw/zinc/95/48/72/605954872.db2.gz	OTGKXAOCLNYLBI-KBPBESRZSA-N	0	1	391.428	2.162	20	5		GEBDMN
Cc1sc(S(=O)(=O)N[C@@H](c2nnc[nH]2)c2ccccc2)cc1[N+](=O)[O-]	ZINC000445711143	649964182	/nfs/dbraw/zinc/96/41/82/649964182.db2.gz	DIZCSIKVAKSDHB-CYBMUJFWSA-N	0	1	379.423	2.151	20	5		GEBDMN
C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1	ZINC000820705543	606710499	/nfs/dbraw/zinc/71/04/99/606710499.db2.gz	UZXGBYGEPSHVIU-KBPBESRZSA-N	0	1	386.460	2.261	20	5		GEBDMN
C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1	ZINC000820705543	606710501	/nfs/dbraw/zinc/71/05/01/606710501.db2.gz	UZXGBYGEPSHVIU-KBPBESRZSA-N	0	1	386.460	2.261	20	5		GEBDMN
C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1	ZINC000820705543	606710503	/nfs/dbraw/zinc/71/05/03/606710503.db2.gz	UZXGBYGEPSHVIU-KBPBESRZSA-N	0	1	386.460	2.261	20	5		GEBDMN
C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1	ZINC000820705543	606710505	/nfs/dbraw/zinc/71/05/05/606710505.db2.gz	UZXGBYGEPSHVIU-KBPBESRZSA-N	0	1	386.460	2.261	20	5		GEBDMN
C[C@@H](c1cccs1)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000820570109	606732284	/nfs/dbraw/zinc/73/22/84/606732284.db2.gz	DNJGFDXQWVNYTD-VIFPVBQESA-N	0	1	394.438	2.218	20	5		GEBDMN
CCC[C@H]1[C@H](C)CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000821034703	606734931	/nfs/dbraw/zinc/73/49/31/606734931.db2.gz	RPNNXLCNRXZHKD-NEPJUHHUSA-N	0	1	394.457	2.364	20	5		GEBDMN
CC(C)(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C1CCCC1	ZINC000824157249	607811642	/nfs/dbraw/zinc/81/16/42/607811642.db2.gz	DXFYUDXNXITVAI-UHFFFAOYSA-N	0	1	394.457	2.270	20	5		GEBDMN
O=[N+]([O-])c1ccc(N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c(-c2nn[nH]n2)c1	ZINC000826499147	608234648	/nfs/dbraw/zinc/23/46/48/608234648.db2.gz	XKSWWZRQEKNKHL-NSHDSACASA-N	0	1	381.400	2.154	20	5		GEBDMN
C[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(-c2nn[nH]n2)cc1	ZINC000824554930	608460678	/nfs/dbraw/zinc/46/06/78/608460678.db2.gz	SXJUAAYTPPMDOX-GFCCVEGCSA-N	0	1	393.407	2.015	20	5		GEBDMN
C[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccc(-c2nn[nH]n2)c1	ZINC000824553987	608482883	/nfs/dbraw/zinc/48/28/83/608482883.db2.gz	LGZWFPKPVNTZEM-LBPRGKRZSA-N	0	1	393.407	2.015	20	5		GEBDMN
CCn1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cn1	ZINC000446998463	649992696	/nfs/dbraw/zinc/99/26/96/649992696.db2.gz	YVNQBAPKLKCLNY-UHFFFAOYSA-N	0	1	375.204	2.375	20	5		GEBDMN
CO[C@H]1COCC[C@@H]1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000451774371	650141237	/nfs/dbraw/zinc/14/12/37/650141237.db2.gz	NDBUXPGDAKBJIY-PELKAZGASA-N	0	1	399.252	2.231	20	5		GEBDMN
COC(=O)[C@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1cccs1	ZINC000500936449	650385194	/nfs/dbraw/zinc/38/51/94/650385194.db2.gz	WJMGAGWNDZOCNN-CQSZACIVSA-N	0	1	384.435	2.033	20	5		GEBDMN
CC(C)(C)NC(=O)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000462447851	650480293	/nfs/dbraw/zinc/48/02/93/650480293.db2.gz	YJYBPVHJVXAWTN-UHFFFAOYSA-N	0	1	384.241	2.095	20	5		GEBDMN
Cc1[nH]ncc1CNC(=O)c1ccc([N+](=O)[O-])cc1I	ZINC000512157522	650545934	/nfs/dbraw/zinc/54/59/34/650545934.db2.gz	YAEYAEVKYJCGMG-UHFFFAOYSA-N	0	1	386.149	2.161	20	5		GEBDMN
Cn1nc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1	ZINC000481536942	650648539	/nfs/dbraw/zinc/64/85/39/650648539.db2.gz	LESXBSUDPFVRHZ-UHFFFAOYSA-N	0	1	392.173	2.128	20	5		GEBDMN
Cc1[nH]ncc1CNC(=O)c1cc([N+](=O)[O-])ccc1I	ZINC000038108062	642516763	/nfs/dbraw/zinc/51/67/63/642516763.db2.gz	DSFNIZVRHOZTCU-UHFFFAOYSA-N	0	1	386.149	2.161	20	5		GEBDMN
O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)c1n[nH]cc1[N+](=O)[O-]	ZINC000119322043	643545873	/nfs/dbraw/zinc/54/58/73/643545873.db2.gz	JXACULKOYMXLIE-UHFFFAOYSA-N	0	1	379.682	2.194	20	5		GEBDMN
Cc1cc(NS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)ccc1[N+](=O)[O-]	ZINC000539853600	650851796	/nfs/dbraw/zinc/85/17/96/650851796.db2.gz	ITRKMMZNHHTCTA-UHFFFAOYSA-N	0	1	388.398	2.247	20	5		GEBDMN
COc1cc(S(=O)(=O)Nc2ccccc2C[S@@](C)=O)ccc1[N+](=O)[O-]	ZINC000545826688	650981754	/nfs/dbraw/zinc/98/17/54/650981754.db2.gz	CDJJBFUXOOWMFE-XMMPIXPASA-N	0	1	384.435	2.283	20	5		GEBDMN
CC(C)[C@H](CNc1ncc([N+](=O)[O-])cc1Br)N1CCN(C)CC1	ZINC000267231107	645889882	/nfs/dbraw/zinc/88/98/82/645889882.db2.gz	KZRAMLVKSPLDGO-AWEZNQCLSA-N	0	1	386.294	2.436	20	5		GEBDMN
CN(C)C[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000269353861	646030152	/nfs/dbraw/zinc/03/01/52/646030152.db2.gz	LPBPXGZMKYKLBP-SNVBAGLBSA-N	0	1	392.275	2.072	20	5		GEBDMN
CN(C1CCN(C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000269493821	646040499	/nfs/dbraw/zinc/04/04/99/646040499.db2.gz	URKOAFYQJFLBCP-UHFFFAOYSA-N	0	1	392.275	2.072	20	5		GEBDMN
C[C@@H]1CN(CCCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCO1	ZINC000277672973	646459884	/nfs/dbraw/zinc/45/98/84/646459884.db2.gz	GFTPXPMKRWVZEK-GFCCVEGCSA-N	0	1	391.877	2.027	20	5		GEBDMN
O=C(Nc1ccccc1Br)C1CCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1	ZINC000362987089	647578248	/nfs/dbraw/zinc/57/82/48/647578248.db2.gz	UTBCKFGTKFSCJG-SMDDNHRTSA-N	0	1	396.241	2.291	20	5		GEBDMN
Cc1nnsc1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000416481155	648141519	/nfs/dbraw/zinc/14/15/19/648141519.db2.gz	BFBQBEVSWNKBSQ-UHFFFAOYSA-N	0	1	382.345	2.252	20	5		GEBDMN
O=[N+]([O-])c1cnc(N2CCC[C@@H](N3CCOCC3)CC2)c(Br)c1	ZINC000574703861	652037454	/nfs/dbraw/zinc/03/74/54/652037454.db2.gz	OKYMHKQQVVBZGS-GFCCVEGCSA-N	0	1	385.262	2.443	20	5		GEBDMN
CN(Cc1cc(I)cc([N+](=O)[O-])c1)CC1(CO)CC1	ZINC000579293485	652331198	/nfs/dbraw/zinc/33/11/98/652331198.db2.gz	HVHOMZGYZKOYPH-UHFFFAOYSA-N	0	1	376.194	2.404	20	5		GEBDMN
Cc1cc(CNCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cnc1Cl	ZINC000760677511	652620264	/nfs/dbraw/zinc/62/02/64/652620264.db2.gz	RJXGLNCUXCBICU-UHFFFAOYSA-N	0	1	384.845	2.020	20	5		GEBDMN
O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@@H](OC1CCCC1)C(F)(F)F	ZINC000594818980	652687886	/nfs/dbraw/zinc/68/78/86/652687886.db2.gz	MOXHSDUZMIWFIK-LLVKDONJSA-N	0	1	383.348	2.158	20	5		GEBDMN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1C[C@@H](O)C12CCC2	ZINC000594866900	652694565	/nfs/dbraw/zinc/69/45/65/652694565.db2.gz	YXVJGGFAFBSZJI-GHMZBOCLSA-N	0	1	381.237	2.483	20	5		GEBDMN
CO[C@H]1CS(=O)(=O)C[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1	ZINC000594964936	652698379	/nfs/dbraw/zinc/69/83/79/652698379.db2.gz	FDGKQVLSPUUJFZ-CABCVRRESA-N	0	1	382.463	2.225	20	5		GEBDMN
CC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H](O)C(F)(F)F	ZINC000765741865	652850982	/nfs/dbraw/zinc/85/09/82/652850982.db2.gz	PFNNOXKSDOCEMI-XCBNKYQSSA-N	0	1	376.740	2.228	20	5		GEBDMN
CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H](O)C(F)(F)F	ZINC000765741867	652851556	/nfs/dbraw/zinc/85/15/56/652851556.db2.gz	PFNNOXKSDOCEMI-XVKPBYJWSA-N	0	1	376.740	2.228	20	5		GEBDMN
CS[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C[C@@H]1N(C)C	ZINC000767314618	652919466	/nfs/dbraw/zinc/91/94/66/652919466.db2.gz	HSVZQOJQVRFOHB-STQMWFEESA-N	0	1	393.918	2.223	20	5		GEBDMN
CCOC(=O)COc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1	ZINC000768890664	653136611	/nfs/dbraw/zinc/13/66/11/653136611.db2.gz	MHHUGWWIHZPFIR-UHFFFAOYSA-N	0	1	386.407	2.399	20	5		GEBDMN
O=[N+]([O-])c1cccc(Br)c1CN1CCN([C@H]2CCC[C@H]2O)CC1	ZINC000769327672	653149045	/nfs/dbraw/zinc/14/90/45/653149045.db2.gz	KJWHBEBNZAXYFB-JKSUJKDBSA-N	0	1	384.274	2.388	20	5		GEBDMN
Cn1ncc(Br)c1CNC1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC000602735162	653203457	/nfs/dbraw/zinc/20/34/57/653203457.db2.gz	RUDNWULVWNNJQD-UHFFFAOYSA-N	0	1	395.261	2.244	20	5		GEBDMN
O=[N+]([O-])c1ccn(CCN2CC[C@H](Oc3cncc(Br)c3)C2)n1	ZINC000602886070	653212716	/nfs/dbraw/zinc/21/27/16/653212716.db2.gz	IUUUQVODAFRADI-LBPRGKRZSA-N	0	1	382.218	2.102	20	5		GEBDMN
CC(C)(CO)[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C1CC1	ZINC000810107019	653325174	/nfs/dbraw/zinc/32/51/74/653325174.db2.gz	TXGIDOKFKMTPFN-CYBMUJFWSA-N	0	1	380.825	2.463	20	5		GEBDMN
C[C@H]1CCCN1CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000780865725	653633922	/nfs/dbraw/zinc/63/39/22/653633922.db2.gz	CCSIDDZLFLUSJJ-JTQLQIEISA-N	0	1	392.275	2.120	20	5		GEBDMN
C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCN1C	ZINC000815018575	653643843	/nfs/dbraw/zinc/64/38/43/653643843.db2.gz	UGHXGZUQQSFILI-VHSXEESVSA-N	0	1	379.841	2.491	20	5		GEBDMN
Cn1cc2c(n1)CCC[C@H]2NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815041983	653647566	/nfs/dbraw/zinc/64/75/66/653647566.db2.gz	GVOBDWNXJBYUBF-GFCCVEGCSA-N	0	1	388.808	2.477	20	5		GEBDMN
Cc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1N1CCNC1=O	ZINC000782507405	653663260	/nfs/dbraw/zinc/66/32/60/653663260.db2.gz	NQUJMKMBGLSECQ-UHFFFAOYSA-N	0	1	382.423	2.295	20	5		GEBDMN
CN(C[C@@H]1CCCN1C)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000817150610	653704511	/nfs/dbraw/zinc/70/45/11/653704511.db2.gz	MEBFJQMIFNMUDC-JTQLQIEISA-N	0	1	392.275	2.072	20	5		GEBDMN
C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)CCN1	ZINC000841233626	653711487	/nfs/dbraw/zinc/71/14/87/653711487.db2.gz	AKVNNRTUECSQPE-QMMMGPOBSA-N	0	1	390.181	2.025	20	5		GEBDMN
Cc1[nH]nc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1Br	ZINC000787593450	653740771	/nfs/dbraw/zinc/74/07/71/653740771.db2.gz	PTIAROHUONHSOF-UHFFFAOYSA-N	0	1	383.206	2.063	20	5		GEBDMN
CC(C)(CCC[NH3+])[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000842871483	653771368	/nfs/dbraw/zinc/77/13/68/653771368.db2.gz	CIBVZJXMIJEYEV-UHFFFAOYSA-N	0	1	380.264	2.153	20	5		GEBDMN
CCN1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1I	ZINC000882485033	653784520	/nfs/dbraw/zinc/78/45/20/653784520.db2.gz	FBMDHXBVLQIMEF-JTQLQIEISA-N	0	1	389.193	2.023	20	5		GEBDMN
O=C(NCC1CN(c2ccc(Br)cc2[N+](=O)[O-])C1)C(F)(F)F	ZINC000866296795	653790495	/nfs/dbraw/zinc/79/04/95/653790495.db2.gz	WJHMUYOKZBREJP-UHFFFAOYSA-N	0	1	382.136	2.472	20	5		GEBDMN
COC(=O)[C@]12CN(Cc3c(Br)cccc3[N+](=O)[O-])C[C@H]1COCC2	ZINC000793344338	653875831	/nfs/dbraw/zinc/87/58/31/653875831.db2.gz	SCRXKKDVVXPTFI-MEDUHNTESA-N	0	1	399.241	2.369	20	5		GEBDMN
CC(C)N1CCN(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])CC1	ZINC000795087051	653929691	/nfs/dbraw/zinc/92/96/91/653929691.db2.gz	VRZOTERLGMWYJI-UHFFFAOYSA-N	0	1	399.289	2.346	20	5		GEBDMN
O=C(N[C@H](CO)CN1CCCC1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl	ZINC000897764427	653936793	/nfs/dbraw/zinc/93/67/93/653936793.db2.gz	GKGMGUBYRJQRHB-QMMMGPOBSA-N	0	1	380.203	2.227	20	5		GEBDMN
O=C(N[C@@H](CO)CN1CCCC1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl	ZINC000897764426	653936895	/nfs/dbraw/zinc/93/68/95/653936895.db2.gz	GKGMGUBYRJQRHB-MRVPVSSYSA-N	0	1	380.203	2.227	20	5		GEBDMN
O=c1[nH]cccc1NS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000795304409	653944505	/nfs/dbraw/zinc/94/45/05/653944505.db2.gz	HHKYQURZIPHIKO-UHFFFAOYSA-N	0	1	392.162	2.398	20	5		GEBDMN
CS[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[C@@H]1N(C)C	ZINC000795897302	653975888	/nfs/dbraw/zinc/97/58/88/653975888.db2.gz	SYSKZFSQMPYXOF-QWRGUYRKSA-N	0	1	397.881	2.053	20	5		GEBDMN
CC(C)[C@H](O)C1(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1	ZINC000795910998	653976887	/nfs/dbraw/zinc/97/68/87/653976887.db2.gz	ADDDRHWAEXJNQE-ZDUSSCGKSA-N	0	1	380.825	2.463	20	5		GEBDMN
C[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)N1CCCCC1=O	ZINC000795963707	653980343	/nfs/dbraw/zinc/98/03/43/653980343.db2.gz	QJKMKDWCHSGTLV-SECBINFHSA-N	0	1	393.824	2.067	20	5		GEBDMN
C[C@H]1C[C@@H](NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)c2ncnn21	ZINC000849424680	654031466	/nfs/dbraw/zinc/03/14/66/654031466.db2.gz	YAVXQQFIQOHBFZ-POYBYMJQSA-N	0	1	392.224	2.477	20	5		GEBDMN
CSc1ccc(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)cc1[N+](=O)[O-]	ZINC000831158982	654167963	/nfs/dbraw/zinc/16/79/63/654167963.db2.gz	SZHCFDORMRICAJ-UHFFFAOYSA-N	0	1	377.344	2.067	20	5		GEBDMN
CCCN1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1	ZINC000851821291	654183353	/nfs/dbraw/zinc/18/33/53/654183353.db2.gz	QFFMIGANEWSMCP-JTQLQIEISA-N	0	1	392.275	2.120	20	5		GEBDMN
CCc1ncc(CNS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])o1	ZINC000832494345	654269945	/nfs/dbraw/zinc/26/99/45/654269945.db2.gz	KYXITEQDOJKWPS-UHFFFAOYSA-N	0	1	390.215	2.386	20	5		GEBDMN
O=C([O-])[C@@]12C[N@@H+](Cc3c(Br)cccc3[N+](=O)[O-])C[C@H]1COCC2	ZINC000903904919	654291533	/nfs/dbraw/zinc/29/15/33/654291533.db2.gz	PZAGKIZYZJKHCK-BONVTDFDSA-N	0	1	385.214	2.280	20	5		GEBDMN
O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1ccc(Br)cn1	ZINC000872233633	654318373	/nfs/dbraw/zinc/31/83/73/654318373.db2.gz	DJTAZUQZLOVHFQ-ZDUSSCGKSA-N	0	1	382.214	2.282	20	5		GEBDMN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)c1	ZINC000916105896	654888620	/nfs/dbraw/zinc/88/86/20/654888620.db2.gz	TXUPYNJZYWGYNC-UHFFFAOYSA-N	0	1	392.361	2.392	20	5		GEBDMN