smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C(=O)N2CCN(c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)CC2)cc1	ZINC000004458511	132277313	/nfs/dbraw/zinc/27/73/13/132277313.db2.gz	VCTCQDJWOIOJCR-UHFFFAOYSA-N	0	0	409.446	2.056	50	5		HEBARN
O=c1/c(=C/c2ccc(Cl)cc2)sc2n1CN(c1ccc([N+](=O)[O-])cc1)CN=2	ZINC000005091891	132300500	/nfs/dbraw/zinc/30/05/00/132300500.db2.gz	AIMXRNLNHPTUKS-SXGWCWSVSA-N	0	0	400.847	2.355	50	5		HEBARN
O=C(NCCc1ccc2c(c1)OCCO2)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000005699039	132307681	/nfs/dbraw/zinc/30/76/81/132307681.db2.gz	MEBQPKLTOXKRBK-UHFFFAOYSA-N	0	0	413.430	2.175	50	5		HEBARN
C[C@H]1C[C@H](C)CN(c2ccc(C(=O)OCC(=O)N3CCOCC3)cc2[N+](=O)[O-])C1	ZINC000006043873	132309018	/nfs/dbraw/zinc/30/90/18/132309018.db2.gz	OCHCFEUBXWUVAD-GJZGRUSLSA-N	0	0	405.451	2.093	50	5		HEBARN
Cc1c(C(=O)Nc2ccccc2N2CCN(S(C)(=O)=O)CC2)cccc1[N+](=O)[O-]	ZINC000009190262	132337119	/nfs/dbraw/zinc/33/71/19/132337119.db2.gz	LGSVOTWNPBQGFB-UHFFFAOYSA-N	0	0	418.475	2.237	50	5		HEBARN
Nc1nc(CSc2n[nH]c(-c3ccc([N+](=O)[O-])cc3)n2)nc(N2CCCCC2)n1	ZINC000012374669	132359213	/nfs/dbraw/zinc/35/92/13/132359213.db2.gz	ABFIIZHXKKOAJJ-UHFFFAOYSA-N	0	0	413.467	2.430	50	5		HEBARN
CC(=O)N1CCN(c2ccc(C(=O)NCc3ccc(F)cc3)cc2[N+](=O)[O-])CC1	ZINC000012633961	132365507	/nfs/dbraw/zinc/36/55/07/132365507.db2.gz	XPHMURLDBSGYDR-UHFFFAOYSA-N	0	0	400.410	2.332	50	5		HEBARN
CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCC(=O)N[C@H](C)C1CC1	ZINC000042171762	521601460	/nfs/dbraw/zinc/60/14/60/521601460.db2.gz	XYHPIZBRYKCIPT-GFCCVEGCSA-N	0	0	402.407	2.251	50	5		HEBARN
Cc1nn(CC(=O)Nc2cccc(NC(=O)CCn3ccnc3)c2)c(C)c1[N+](=O)[O-]	ZINC000032935144	526269079	/nfs/dbraw/zinc/26/90/79/526269079.db2.gz	MYPQPIKEWBNGHT-UHFFFAOYSA-N	0	0	411.422	2.272	50	5		HEBARN
COc1ccccc1N1CCN(C(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000001220270	537068378	/nfs/dbraw/zinc/06/83/78/537068378.db2.gz	ZZTVFCQRBLVQTE-UHFFFAOYSA-N	0	0	400.460	2.440	50	5		HEBARN
Cn1c(=O)c2c3nc4ccc(F)cc4cc3c(=O)n(-c3ccccc3)c2n(C)c1=O	ZINC000001042016	557154075	/nfs/dbraw/zinc/15/40/75/557154075.db2.gz	CKOHQSUEVQAQMR-UHFFFAOYSA-N	0	0	402.385	2.229	50	5		HEBARN
COc1cccc(N2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1	ZINC000004387474	558487952	/nfs/dbraw/zinc/48/79/52/558487952.db2.gz	KYJIKTKWAURKAV-SJORKVTESA-N	0	0	403.416	2.216	50	5		HEBARN
CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)COc1cccnc1[N+](=O)[O-]	ZINC000012969908	558488659	/nfs/dbraw/zinc/48/86/59/558488659.db2.gz	VPYNPGNIHQVEMK-UHFFFAOYSA-N	0	0	412.324	2.485	50	5		HEBARN
O=C(C1=C2C(O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2CCCN12)c1ccccc1	ZINC000229994762	558500683	/nfs/dbraw/zinc/50/06/83/558500683.db2.gz	QRAXTPMBZOPHQS-OKYOBFRVSA-N	0	0	405.410	2.430	50	5		HEBARN
O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1	ZINC000004497625	558611696	/nfs/dbraw/zinc/61/16/96/558611696.db2.gz	MMABRUWLBDXZOZ-JBGNVSFKSA-N	0	0	409.398	2.301	50	5		HEBARN
O=[N+]([O-])c1ccc(N(CCO)Cc2ccccc2)c(S(=O)(=O)N2CCCC2)c1	ZINC000072268452	558672289	/nfs/dbraw/zinc/67/22/89/558672289.db2.gz	ZMHSQCPPQUZQMC-UHFFFAOYSA-N	0	0	405.476	2.378	50	5		HEBARN
COC(=O)[C@@](NNc1ccc([N+](=O)[O-])cc1)(NC(=O)c1ccccc1)C(F)(F)F	ZINC000004602996	558837519	/nfs/dbraw/zinc/83/75/19/558837519.db2.gz	XSBPFPDJRSUULA-INIZCTEOSA-N	0	0	412.324	2.373	50	5		HEBARN
COc1ccc(-n2nc([N+](=O)[O-])c(NC3CC[NH+](Cc4ccccc4)CC3)[n+]2[O-])cc1	ZINC000013574379	558844940	/nfs/dbraw/zinc/84/49/40/558844940.db2.gz	LBXANFQOQNCQEL-UHFFFAOYSA-N	0	0	424.461	2.499	50	5		HEBARN
Cc1cc(S(=O)(=O)NCCc2nnc(-c3ccccc3)n2C)cc([N+](=O)[O-])c1F	ZINC000097143622	558997049	/nfs/dbraw/zinc/99/70/49/558997049.db2.gz	DTUIVBASJJSNFK-UHFFFAOYSA-N	0	0	419.438	2.359	50	5		HEBARN
O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1	ZINC000023108111	559010827	/nfs/dbraw/zinc/01/08/27/559010827.db2.gz	JAPJWIDCIXREEC-GOSISDBHSA-N	0	0	409.439	2.086	50	5		HEBARN
CC(=O)c1ccc(S(=O)(=O)NCCC(=O)OCc2cccc([N+](=O)[O-])c2)cc1	ZINC000014231597	559161062	/nfs/dbraw/zinc/16/10/62/559161062.db2.gz	DIUGVFWKKGIPLN-UHFFFAOYSA-N	0	0	406.416	2.209	50	5		HEBARN
COc1cc(NC(=O)[C@H](C)N2C(=O)[C@@H]3CC=C(Cl)C[C@@H]3C2=O)ccc1[N+](=O)[O-]	ZINC000100274384	559190553	/nfs/dbraw/zinc/19/05/53/559190553.db2.gz	BCWBMOADFUDQBC-BIMULSAOSA-N	0	0	407.810	2.448	50	5		HEBARN
COCCn1c(=N)c(C(=O)NC2CCCCC2)cc2c1nc1ccc(C)cn1c2=O	ZINC000100627947	559245625	/nfs/dbraw/zinc/24/56/25/559245625.db2.gz	YNWTULRGRLAUQJ-UHFFFAOYSA-N	0	0	409.490	2.146	50	5		HEBARN
O=C(CCc1ccc2c(c1)CCO2)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c([N+](=O)[O-])ccc12	ZINC000409413966	559250871	/nfs/dbraw/zinc/25/08/71/559250871.db2.gz	XQXPJPTYVMHVAZ-DOTOQJQBSA-N	0	0	409.442	2.270	50	5		HEBARN
CC(=O)Oc1ccccc1-c1nc2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2n1	ZINC000005383347	560575314	/nfs/dbraw/zinc/57/53/14/560575314.db2.gz	SBRWYJFTCRKKOP-YBEGLDIGSA-N	0	0	408.395	2.199	50	5		HEBARN
COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(O)=C23)c(OC)c1	ZINC000101254716	560789723	/nfs/dbraw/zinc/78/97/23/560789723.db2.gz	HQFBSTJYGJNOAN-AEFFLSMTSA-N	0	0	411.370	2.213	50	5		HEBARN
CCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[C@H](C)C[C@@H]32)C1=O	ZINC000103018396	560836789	/nfs/dbraw/zinc/83/67/89/560836789.db2.gz	SCIVFTCMBZHOHJ-BXJCWQANSA-N	0	0	400.435	2.231	50	5		HEBARN
O=C(NCc1cccnc1-n1cncn1)C1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000047121649	560880617	/nfs/dbraw/zinc/88/06/17/560880617.db2.gz	DBUYKODADNCPRC-UHFFFAOYSA-N	0	0	407.434	2.103	50	5		HEBARN
C[C@H]1CCCN(C(=O)C2CCN(Cn3c(=O)oc4ccc([N+](=O)[O-])cc43)CC2)C1	ZINC000048288030	568434609	/nfs/dbraw/zinc/43/46/09/568434609.db2.gz	PLRZBSUNHWWCTD-AWEZNQCLSA-N	0	0	402.451	2.431	50	5		HEBARN
O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1	ZINC000000834833	568501523	/nfs/dbraw/zinc/50/15/23/568501523.db2.gz	IZRWNBGAFFIRJZ-KRWDZBQOSA-N	0	0	420.443	2.409	50	5		HEBARN
CCOC(=O)Cc1csc(NC=C2N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)n1	ZINC000020616220	568638101	/nfs/dbraw/zinc/63/81/01/568638101.db2.gz	JQXKGDXLAWWRSK-MDWZMJQESA-N	0	0	402.388	2.414	50	5		HEBARN
CCOC(=O)c1cc(S(=O)(=O)N(CCO)C2CCCC2)cc([N+](=O)[O-])c1C	ZINC000095986196	568676117	/nfs/dbraw/zinc/67/61/17/568676117.db2.gz	TUOBCBXBJZFUEE-UHFFFAOYSA-N	0	0	400.453	2.006	50	5		HEBARN
Cc1csc(CCNC(=O)CCCn2cnc3ccc([N+](=O)[O-])cc3c2=O)n1	ZINC000096223314	568706132	/nfs/dbraw/zinc/70/61/32/568706132.db2.gz	LKEADPDHKFTZNQ-UHFFFAOYSA-N	0	0	401.448	2.209	50	5		HEBARN
O=[N+]([O-])c1cccc(-c2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)o2)c1	ZINC000000990268	568759675	/nfs/dbraw/zinc/75/96/75/568759675.db2.gz	RXNCAVOPQARRDE-UHFFFAOYSA-N	0	0	416.415	2.333	50	5		HEBARN
O=C(CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)N1CCN(Cc2ccccc2)CC1	ZINC000025265104	568760972	/nfs/dbraw/zinc/76/09/72/568760972.db2.gz	JVOMTEBYJWXFQC-UHFFFAOYSA-N	0	0	416.865	2.322	50	5		HEBARN
O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000025326354	568763936	/nfs/dbraw/zinc/76/39/36/568763936.db2.gz	MTVAHHARRWNQNO-HNNXBMFYSA-N	0	0	406.420	2.368	50	5		HEBARN
O=C(NCCNc1ccccc1[N+](=O)[O-])NC[C@H](c1cccs1)N1CCOCC1	ZINC000022405945	568767329	/nfs/dbraw/zinc/76/73/29/568767329.db2.gz	QTEPMQAWHRYEKU-QGZVFWFLSA-N	0	0	419.507	2.441	50	5		HEBARN
O=C1c2ccncc2C(=O)N1c1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	ZINC000002494232	568776229	/nfs/dbraw/zinc/77/62/29/568776229.db2.gz	HZGVDPMXGCBZMY-UHFFFAOYSA-N	0	0	416.396	2.080	50	5		HEBARN
CCN1C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C(=O)N(C)C1=S	ZINC000230030467	568802899	/nfs/dbraw/zinc/80/28/99/568802899.db2.gz	BPKPJHLOCGKLCP-HNAYVOBHSA-N	0	0	402.476	2.102	50	5		HEBARN
CNS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cn2cc([N+](=O)[O-])cn2)cc1	ZINC000002794584	568810253	/nfs/dbraw/zinc/81/02/53/568810253.db2.gz	BMXUZXJNOUPWOB-UHFFFAOYSA-N	0	0	415.431	2.000	50	5		HEBARN
Cc1nn(CCc2nc3c4cnn(-c5ccccc5)c4ncn3n2)c(C)c1[N+](=O)[O-]	ZINC000002800179	568810685	/nfs/dbraw/zinc/81/06/85/568810685.db2.gz	GBCBXDUEIWGFKG-UHFFFAOYSA-N	0	0	403.406	2.427	50	5		HEBARN
COC(=O)c1cc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc([N+](=O)[O-])c1	ZINC000015197310	568818745	/nfs/dbraw/zinc/81/87/45/568818745.db2.gz	VZSZSEZSNKVVIZ-LLVKDONJSA-N	0	0	406.416	2.276	50	5		HEBARN
O=C(O[C@@H]1OCCO[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	ZINC000003123030	568856822	/nfs/dbraw/zinc/85/68/22/568856822.db2.gz	PBHVUVQOCMWGCF-ROUUACIJSA-N	0	0	418.314	2.216	50	5		HEBARN
Cc1nn2c(SCC(=O)NCc3ccc(F)cc3)nc3ccccc3c2nc1=O	ZINC000058047088	568880254	/nfs/dbraw/zinc/88/02/54/568880254.db2.gz	BNICRAHEVLRSOO-UHFFFAOYSA-N	0	0	409.446	2.494	50	5		HEBARN
O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)c2ccccc2c1=O)NC[C@H]1CCCO1	ZINC000001314794	568913701	/nfs/dbraw/zinc/91/37/01/568913701.db2.gz	WQOQJXYZMCEQFL-MRXNPFEDSA-N	0	0	408.414	2.267	50	5		HEBARN
Cc1ccc(-n2ncc3c2ncn(CC(=O)Nc2cccc([N+](=O)[O-])c2)c3=O)cc1	ZINC000004165824	568918959	/nfs/dbraw/zinc/91/89/59/568918959.db2.gz	GMRGORIWIASEIS-UHFFFAOYSA-N	0	0	404.386	2.438	50	5		HEBARN
O=[N+]([O-])c1ccc([C@H](O)CNS(=O)(=O)c2ccc(Br)cc2)cc1	ZINC000606428349	568930151	/nfs/dbraw/zinc/93/01/51/568930151.db2.gz	IQUVRGBZGZOGHF-CQSZACIVSA-N	0	0	401.238	2.369	50	5		HEBARN
CC(=O)N[C@H](CC(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1	ZINC000006084949	568997379	/nfs/dbraw/zinc/99/73/79/568997379.db2.gz	VFELMEVVTNUFDP-MRXNPFEDSA-N	0	0	403.366	2.483	50	5		HEBARN
C[C@@H](OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000012823257	569006741	/nfs/dbraw/zinc/00/67/41/569006741.db2.gz	VULZGFVEYAFKTQ-NWDGAFQWSA-N	0	0	411.370	2.150	50	5		HEBARN
C[C@@H](OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000012823253	569006744	/nfs/dbraw/zinc/00/67/44/569006744.db2.gz	VULZGFVEYAFKTQ-VXGBXAGGSA-N	0	0	411.370	2.150	50	5		HEBARN
C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000012871796	569013361	/nfs/dbraw/zinc/01/33/61/569013361.db2.gz	GRUFCQFSDVUXCF-RYUDHWBXSA-N	0	0	409.464	2.119	50	5		HEBARN
COC[C@H](C)NS(=O)(=O)c1ccc(Nc2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1	ZINC000016046402	569028097	/nfs/dbraw/zinc/02/80/97/569028097.db2.gz	WOZURUUKLPZNFG-LBPRGKRZSA-N	0	0	423.447	2.423	50	5		HEBARN
COc1ccc(-n2nc([N+](=O)[O-])c(NCc3cc(OC)ccc3OC)[n+]2[O-])cc1	ZINC000016226433	569029949	/nfs/dbraw/zinc/02/99/49/569029949.db2.gz	KDQTYBLQQFWKRM-UHFFFAOYSA-N	0	0	401.379	2.052	50	5		HEBARN
O=C(CNC(=O)c1ccc(Br)o1)OCC(=O)c1cccc([N+](=O)[O-])c1	ZINC000001854739	569056643	/nfs/dbraw/zinc/05/66/43/569056643.db2.gz	SYUJIODPZBIRKQ-UHFFFAOYSA-N	0	0	411.164	2.106	50	5		HEBARN
O=C(NCC1CC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(C(=O)c3ccco3)C[C@@H]12	ZINC000035870330	569063937	/nfs/dbraw/zinc/06/39/37/569063937.db2.gz	GQFWLMZYDZSXQN-HKUYNNGSSA-N	0	0	424.457	2.217	50	5		HEBARN
O=C(NCCCN1CCCC1=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12	ZINC000036075293	569086921	/nfs/dbraw/zinc/08/69/21/569086921.db2.gz	WLQQWDTUXAFSAM-PKOBYXMFSA-N	0	0	400.479	2.255	50	5		HEBARN
CCC(CC)NC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-]	ZINC000006777822	569118708	/nfs/dbraw/zinc/11/87/08/569118708.db2.gz	KABWJMZPMQKBTB-UHFFFAOYSA-N	0	0	401.485	2.309	50	5		HEBARN
Cc1ccc(CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])cc1	ZINC000036446967	569185121	/nfs/dbraw/zinc/18/51/21/569185121.db2.gz	QOIAKBJTUOHPSB-UHFFFAOYSA-N	0	0	404.492	2.451	50	5		HEBARN
Cc1cccc(C(=O)OCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-]	ZINC000013159783	569211694	/nfs/dbraw/zinc/21/16/94/569211694.db2.gz	IEAUSSBZWOWSFW-HNNXBMFYSA-N	0	0	424.475	2.018	50	5		HEBARN
C[C@H](Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1	ZINC000170603338	569243974	/nfs/dbraw/zinc/24/39/74/569243974.db2.gz	MJHLPMTUHQPWJV-JTQLQIEISA-N	0	0	410.418	2.317	50	5		HEBARN
O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N[C@@H](CO)Cc1ccccn1	ZINC000170610819	569245498	/nfs/dbraw/zinc/24/54/98/569245498.db2.gz	JTNVESZHZUGNBA-LLVKDONJSA-N	0	0	405.354	2.299	50	5		HEBARN
CNc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2	ZINC000017051154	569272545	/nfs/dbraw/zinc/27/25/45/569272545.db2.gz	VLHMQCNBUXWTIT-UHFFFAOYSA-N	0	0	418.431	2.081	50	5		HEBARN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C(=S)Nc3cccc(F)c3)CC2)cc1	ZINC000017093896	569274122	/nfs/dbraw/zinc/27/41/22/569274122.db2.gz	TXGXDDPXTSZLRK-UHFFFAOYSA-N	0	0	424.479	2.437	50	5		HEBARN
C[C@H]1CC(=O)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2S1(=O)=O	ZINC000017244143	569276789	/nfs/dbraw/zinc/27/67/89/569276789.db2.gz	DCDUTCWAVDCAQZ-LBPRGKRZSA-N	0	0	403.416	2.132	50	5		HEBARN
COc1ccc(COC[C@@H](O)Cn2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2=O)cc1	ZINC000078729270	569395297	/nfs/dbraw/zinc/39/52/97/569395297.db2.gz	RPNBODNDAIXVKZ-IBGZPJMESA-N	0	0	413.430	2.442	50	5		HEBARN
C[C@@H]1CN(C(=O)c2cc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc([N+](=O)[O-])c2)C[C@@H](C)O1	ZINC000012285307	569399958	/nfs/dbraw/zinc/39/99/58/569399958.db2.gz	PQXIBZQSJUPPAD-VLRMEEEOSA-N	0	0	405.451	2.094	50	5		HEBARN
COc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)cc1	ZINC000018250538	569413987	/nfs/dbraw/zinc/41/39/87/569413987.db2.gz	TWAZCJIWLNONJM-LJQANCHMSA-N	0	0	410.430	2.058	50	5		HEBARN
COC(=O)[C@H](C)[C@H](NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccccc1	ZINC000079012870	569423597	/nfs/dbraw/zinc/42/35/97/569423597.db2.gz	GYSGNHFVCYBQSW-PXAZEXFGSA-N	0	0	408.432	2.432	50	5		HEBARN
COc1ccc(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(OC)c1	ZINC000019851557	569431076	/nfs/dbraw/zinc/43/10/76/569431076.db2.gz	TZRJJGZKBGFTGB-UHFFFAOYSA-N	0	0	421.475	2.119	50	5		HEBARN
O=[N+]([O-])c1ccc(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1	ZINC000019868058	569432243	/nfs/dbraw/zinc/43/22/43/569432243.db2.gz	CMGWZIJZSFDMJC-UHFFFAOYSA-N	0	0	406.420	2.010	50	5		HEBARN
O=C(COc1ccccc1[N+](=O)[O-])N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1	ZINC000008916200	571151737	/nfs/dbraw/zinc/15/17/37/571151737.db2.gz	CWKNEECPHOGKAI-HNNXBMFYSA-N	0	0	422.434	2.329	50	5		HEBARN
C[C@H]1CN(c2ccc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)cn2)C[C@H](C)O1	ZINC000040142670	571193242	/nfs/dbraw/zinc/19/32/42/571193242.db2.gz	ZOBXMNQVTUOGOZ-KBPBESRZSA-N	0	0	423.433	2.436	50	5		HEBARN
C[C@@H](c1nc(C2CC2)no1)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1	ZINC000040153583	571200874	/nfs/dbraw/zinc/20/08/74/571200874.db2.gz	CVICYZRPWNDSSK-LBPRGKRZSA-N	0	0	421.479	2.142	50	5		HEBARN
COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(=O)[C@H]23)cc1OC	ZINC000009109887	571222423	/nfs/dbraw/zinc/22/24/23/571222423.db2.gz	PGDCRVUWGQCJBE-SJLPKXTDSA-N	0	0	411.370	2.213	50	5		HEBARN
C[C@@H](OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cn1	ZINC000009316301	571247543	/nfs/dbraw/zinc/24/75/43/571247543.db2.gz	LGPAXUMUWINNLW-LLVKDONJSA-N	0	0	420.809	2.334	50	5		HEBARN
CCCCn1c2nc(COc3ccc(OC)cc3[N+](=O)[O-])n(CC)c2c(=O)[nH]c1=O	ZINC000009367367	571252314	/nfs/dbraw/zinc/25/23/14/571252314.db2.gz	KJYAXBXCRQHUTA-UHFFFAOYSA-N	0	0	417.422	2.202	50	5		HEBARN
CNc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1[N+](=O)[O-]	ZINC000009507785	571263802	/nfs/dbraw/zinc/26/38/02/571263802.db2.gz	XUHOLAGROHBLLT-UHFFFAOYSA-N	0	0	418.431	2.081	50	5		HEBARN
O=C(COC(=O)COc1cccc(Br)c1)Nc1ncc([N+](=O)[O-])s1	ZINC000009539641	571267398	/nfs/dbraw/zinc/26/73/98/571267398.db2.gz	XHHQJIGLTDXIDW-UHFFFAOYSA-N	0	0	416.209	2.375	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1	ZINC000010187039	571296062	/nfs/dbraw/zinc/29/60/62/571296062.db2.gz	HFFCGIOYWDWNNK-CYBMUJFWSA-N	0	0	411.461	2.457	50	5		HEBARN
CC1(C)C(=O)Nc2ccccc2N1C(=O)Cn1cnc2cc([N+](=O)[O-])ccc2c1=O	ZINC000003442551	132266270	/nfs/dbraw/zinc/26/62/70/132266270.db2.gz	GMGTYBRNOGERJX-UHFFFAOYSA-N	0	0	407.386	2.069	50	5		HEBARN
CCOc1ccc(/C=c2\sc3n(c2=O)CN(c2ccc([N+](=O)[O-])cc2)CN=3)cc1	ZINC000004754465	132287620	/nfs/dbraw/zinc/28/76/20/132287620.db2.gz	YCQMJXMKVBTZMF-WQRHYEAKSA-N	0	0	410.455	2.100	50	5		HEBARN
O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000007758221	132325603	/nfs/dbraw/zinc/32/56/03/132325603.db2.gz	KUCFSXAXIHRDPG-UHFFFAOYSA-N	0	0	415.450	2.485	50	5		HEBARN
Cc1cc(C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)ccc1[N+](=O)[O-]	ZINC000016964289	132464488	/nfs/dbraw/zinc/46/44/88/132464488.db2.gz	YNFWZJLPUSVIIX-IBGZPJMESA-N	0	0	411.414	2.170	50	5		HEBARN
CNc1ccc(C(=O)N2CCC(C(=O)NCCc3ccccn3)CC2)cc1[N+](=O)[O-]	ZINC000032912026	522584982	/nfs/dbraw/zinc/58/49/82/522584982.db2.gz	JCVUSYGPGXXCMR-UHFFFAOYSA-N	0	0	411.462	2.243	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)NCCc2ccccn2)CC1	ZINC000032912022	525454908	/nfs/dbraw/zinc/45/49/08/525454908.db2.gz	UKQZRUSVRYNSFE-UHFFFAOYSA-N	0	0	412.446	2.210	50	5		HEBARN
O=C(NCc1ccc(-n2ccnc2)nc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000032802687	526649638	/nfs/dbraw/zinc/64/96/38/526649638.db2.gz	MWUOGOCNSPXYFO-UHFFFAOYSA-N	0	0	407.434	2.207	50	5		HEBARN
O=c1oc2ccccc2n1CCn1cnc2c(cnn2-c2ccccc2[N+](=O)[O-])c1=O	ZINC000032782549	527501034	/nfs/dbraw/zinc/50/10/34/527501034.db2.gz	ONWIWVRPCISTKP-UHFFFAOYSA-N	0	0	418.369	2.099	50	5		HEBARN
COC(=O)c1ccc(N2C(=O)c3cc([N+](=O)[O-])c(N4CCOCC4)cc3C2=O)cc1	ZINC000004686407	536729130	/nfs/dbraw/zinc/72/91/30/536729130.db2.gz	JZVUVBAZYCGKGR-UHFFFAOYSA-N	0	0	411.370	2.019	50	5		HEBARN
Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1	ZINC000011000609	558648039	/nfs/dbraw/zinc/64/80/39/558648039.db2.gz	ZKRSJWAVSSMZGA-UHFFFAOYSA-N	0	0	403.460	2.440	50	5		HEBARN
COCCCN1C(=O)c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3OC)cc2C1=O	ZINC000004524285	558652114	/nfs/dbraw/zinc/65/21/14/558652114.db2.gz	CSWQQAHDJOXKIW-UHFFFAOYSA-N	0	0	413.386	2.488	50	5		HEBARN
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(N2CCC(C(N)=O)CC2)cc1	ZINC000072278433	558704807	/nfs/dbraw/zinc/70/48/07/558704807.db2.gz	MNOKAJBBNMNBJT-UHFFFAOYSA-N	0	0	418.475	2.406	50	5		HEBARN
Cc1ccc2nc3c(cc(C(=O)NC4CCCC4)c(=N)n3C[C@H]3CCCO3)c(=O)n2c1	ZINC000015952817	558763858	/nfs/dbraw/zinc/76/38/58/558763858.db2.gz	OOFLYMWBUGKIPB-MRXNPFEDSA-N	0	0	421.501	2.288	50	5		HEBARN
C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1cccs1)N1CCN(C)CC1	ZINC000023181887	559031709	/nfs/dbraw/zinc/03/17/09/559031709.db2.gz	LKACAHQFTOBJDC-KDOFPFPSSA-N	0	0	424.548	2.312	50	5		HEBARN
COCCCn1c(=N)c(C(=O)NC2CCCCC2)cc2c1nc1ccccn1c2=O	ZINC000100628028	559137077	/nfs/dbraw/zinc/13/70/77/559137077.db2.gz	VEQNNVQWCPXZSE-UHFFFAOYSA-N	0	0	409.490	2.228	50	5	aggregator	HEBARN
COCCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(C2CCCCC2)c1=N	ZINC000100627836	559137111	/nfs/dbraw/zinc/13/71/11/559137111.db2.gz	KLUDJBBEYHGJDW-UHFFFAOYSA-N	0	0	409.490	2.400	50	5		HEBARN
CCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(CCc2ccccc2)c1=N	ZINC000100642168	559137249	/nfs/dbraw/zinc/13/72/49/559137249.db2.gz	UHMGUMDYSUGSAD-UHFFFAOYSA-N	0	0	401.470	2.429	50	5		HEBARN
O=C(C1=C2C(O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2C=CC=NN12)c1ccccc1	ZINC000017953011	560731292	/nfs/dbraw/zinc/73/12/92/560731292.db2.gz	FLBVUNVQDLPVID-YDZRNGNQSA-N	0	0	416.393	2.192	50	5		HEBARN
C[C@@H]1CN(C(=O)C2CCN(Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)C[C@H](C)O1	ZINC000048274204	568434192	/nfs/dbraw/zinc/43/41/92/568434192.db2.gz	ASDAZMZQXLDOPD-GASCZTMLSA-N	0	0	401.467	2.250	50	5		HEBARN
O=C1NCCCC[C@@H]1Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-]	ZINC000048302503	568437717	/nfs/dbraw/zinc/43/77/17/568437717.db2.gz	SEZOPZHAEABBMY-INIZCTEOSA-N	0	0	410.496	2.240	50	5		HEBARN
Cn1c(=O)c2c(n(C)c1=O)N=C1c3ccccc3C(=O)[C@H]1[C@H]2c1ccccc1[N+](=O)[O-]	ZINC000000649640	568456855	/nfs/dbraw/zinc/45/68/55/568456855.db2.gz	PHSRBMIRXRLMSD-CVEARBPZSA-N	0	0	416.393	2.071	50	5		HEBARN
COc1ccc(Cl)cc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCCO	ZINC000020892452	568647378	/nfs/dbraw/zinc/64/73/78/568647378.db2.gz	BTDPYVWIMIVLFF-UHFFFAOYSA-N	0	0	423.809	2.457	50	5		HEBARN
COCCn1c(C)cc(C(=O)Cn2cc(Br)cc([N+](=O)[O-])c2=O)c1C	ZINC000095971862	568671520	/nfs/dbraw/zinc/67/15/20/568671520.db2.gz	LZJIXASLCYLZLN-UHFFFAOYSA-N	0	0	412.240	2.467	50	5		HEBARN
O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000021487221	568704177	/nfs/dbraw/zinc/70/41/77/568704177.db2.gz	QLQQNGYCZGTTTG-OAHLLOKOSA-N	0	0	406.420	2.368	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1N1C(=S)N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000012421648	568720966	/nfs/dbraw/zinc/72/09/66/568720966.db2.gz	UQOVSKOAXRVIDU-CVEARBPZSA-N	0	0	419.484	2.381	50	5		HEBARN
Cc1nn(CC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)c1[N+](=O)[O-]	ZINC000002636743	568792412	/nfs/dbraw/zinc/79/24/12/568792412.db2.gz	KLBLVPBBQKGNQS-UHFFFAOYSA-N	0	0	406.464	2.466	50	5		HEBARN
Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)nc2n1	ZINC000002640979	568793696	/nfs/dbraw/zinc/79/36/96/568793696.db2.gz	QYZWJQGWFUUVBV-UHFFFAOYSA-N	0	0	404.770	2.098	50	5		HEBARN
O=C(C1=C2C(O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2C=CC=NN12)c1ccccc1	ZINC000230016137	568801652	/nfs/dbraw/zinc/80/16/52/568801652.db2.gz	FLBVUNVQDLPVID-HCXYKTFWSA-N	0	0	416.393	2.192	50	5		HEBARN
CC(C)(C)NC(=O)c1cccc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1	ZINC000001175057	568818921	/nfs/dbraw/zinc/81/89/21/568818921.db2.gz	UYMRPOOQKYDXOW-UHFFFAOYSA-N	0	0	424.413	2.358	50	5		HEBARN
COC(=O)c1cc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc(C(=O)OC)c1	ZINC000001190024	568822034	/nfs/dbraw/zinc/82/20/34/568822034.db2.gz	BCGWRLKKIYTFEV-UHFFFAOYSA-N	0	0	418.358	2.438	50	5		HEBARN
COc1ccccc1CCNS(=O)(=O)[C@@H]1CON(C)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000034738646	568824554	/nfs/dbraw/zinc/82/45/54/568824554.db2.gz	UARRWJKMGPKKDW-MOPGFXCFSA-N	0	0	421.475	2.052	50	5		HEBARN
CCOC(=O)CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-]	ZINC000003024745	568841284	/nfs/dbraw/zinc/84/12/84/568841284.db2.gz	KYAMYKUPOHOPCH-GXTWGEPZSA-N	0	0	412.464	2.240	50	5		HEBARN
CCN(C[C@@H]1COc2ccccc2O1)c1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-]	ZINC000012565308	568860002	/nfs/dbraw/zinc/86/00/02/568860002.db2.gz	JLQOSEMPTDQVIY-CYBMUJFWSA-N	0	0	407.448	2.169	50	5		HEBARN
CCN(C[C@H]1COc2ccccc2O1)c1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-]	ZINC000012565310	568860010	/nfs/dbraw/zinc/86/00/10/568860010.db2.gz	JLQOSEMPTDQVIY-ZDUSSCGKSA-N	0	0	407.448	2.169	50	5		HEBARN
CNS(=O)(=O)c1ccc(N[C@@H](c2nccn2C)c2ccccc2)c([N+](=O)[O-])c1	ZINC000012580109	568863595	/nfs/dbraw/zinc/86/35/95/568863595.db2.gz	RBKJBRMBWHCPTG-QGZVFWFLSA-N	0	0	401.448	2.438	50	5		HEBARN
CS(=O)(=O)c1ccc(N[C@H](CN2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1	ZINC000012641133	568885349	/nfs/dbraw/zinc/88/53/49/568885349.db2.gz	XVWPOSBVNCXSCK-GOSISDBHSA-N	0	0	405.476	2.484	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)CC(=O)Nc1ccc(C)cn1	ZINC000058215442	568900806	/nfs/dbraw/zinc/90/08/06/568900806.db2.gz	NUPLOAYWCMLDJR-ZDUSSCGKSA-N	0	0	401.423	2.204	50	5		HEBARN
Cn1c2nc3n(cc(-c4cccc([N+](=O)[O-])c4)n3-c3ccccc3)c2c(=O)n(C)c1=O	ZINC000001313643	568913712	/nfs/dbraw/zinc/91/37/12/568913712.db2.gz	VXOGYGJVRNUNOB-UHFFFAOYSA-N	0	0	416.397	2.251	50	5		HEBARN
CCOC(=O)N1CCN(C(=O)c2ccc3nc4ccc(Cl)cc4c(=O)n3c2)CC1	ZINC000004119285	568944486	/nfs/dbraw/zinc/94/44/86/568944486.db2.gz	LWEGULYBVXIHKB-UHFFFAOYSA-N	0	0	414.849	2.415	50	5		HEBARN
CCCCSc1nc(-c2ccc([N+](=O)[O-])cc2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000004139146	568946019	/nfs/dbraw/zinc/94/60/19/568946019.db2.gz	ZARLADZNAASEBB-UHFFFAOYSA-N	0	0	401.448	2.495	50	5		HEBARN
CCn1c(C)cc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1C	ZINC000012795289	568974648	/nfs/dbraw/zinc/97/46/48/568974648.db2.gz	SJOZZJNDIUVVFV-UHFFFAOYSA-N	0	0	420.491	2.180	50	5		HEBARN
CC1CCN(S(=O)(=O)c2nnc(NC(=O)c3cccc([N+](=O)[O-])c3)s2)CC1	ZINC000015936388	569023445	/nfs/dbraw/zinc/02/34/45/569023445.db2.gz	ZDZGCOLIZXJMDU-UHFFFAOYSA-N	0	0	411.465	2.119	50	5		HEBARN
COc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c(OC)c1	ZINC000016250192	569030341	/nfs/dbraw/zinc/03/03/41/569030341.db2.gz	RXSLPWILCUCYRY-UHFFFAOYSA-N	0	0	423.447	2.325	50	5		HEBARN
C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000006566311	569066318	/nfs/dbraw/zinc/06/63/18/569066318.db2.gz	SIZUGXLVZDGJGC-CQSZACIVSA-N	0	0	411.414	2.236	50	5		HEBARN
CCOc1ccc(CNc2c([N+](=O)[O-])nn(-c3ccc(OC)cc3)[n+]2[O-])cc1OC	ZINC000016692853	569070701	/nfs/dbraw/zinc/07/07/01/569070701.db2.gz	YHMNXXMTFKIMCZ-UHFFFAOYSA-N	0	0	415.406	2.442	50	5		HEBARN
Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1	ZINC000006654346	569082753	/nfs/dbraw/zinc/08/27/53/569082753.db2.gz	OIXBYYOWJAYMHL-UHFFFAOYSA-N	0	0	412.446	2.451	50	5		HEBARN
O=C(CN1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1)Nc1cccc(F)c1	ZINC000036476296	569189813	/nfs/dbraw/zinc/18/98/13/569189813.db2.gz	SWCCFPZVNTVMHA-UHFFFAOYSA-N	0	0	400.410	2.059	50	5		HEBARN
Cc1nn(C)cc1C[C@@H](C)NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ncnn21	ZINC000036619311	569210608	/nfs/dbraw/zinc/21/06/08/569210608.db2.gz	UAEGYKALRQZULM-GFCCVEGCSA-N	0	0	420.433	2.102	50	5		HEBARN
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1	ZINC000013134320	569211553	/nfs/dbraw/zinc/21/15/53/569211553.db2.gz	VCODLDFPBUBQLX-UHFFFAOYSA-N	0	0	420.447	2.121	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(C(F)(F)F)n1N	ZINC000036640276	569216864	/nfs/dbraw/zinc/21/68/64/569216864.db2.gz	MSWOSBYYZJIZJY-ZCFIWIBFSA-N	0	0	406.346	2.047	50	5		HEBARN
COC(=O)c1c(C)c(C(N)=O)sc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1	ZINC000002102198	569281233	/nfs/dbraw/zinc/28/12/33/569281233.db2.gz	NRZKHGVCFJROQO-UHFFFAOYSA-N	0	0	422.375	2.319	50	5		HEBARN
C[C@@H]1CN(C(=O)c2cc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc([N+](=O)[O-])c2)C[C@H](C)O1	ZINC000017720916	569327996	/nfs/dbraw/zinc/32/79/96/569327996.db2.gz	PQXIBZQSJUPPAD-NMWPEEMBSA-N	0	0	405.451	2.094	50	5		HEBARN
CCOC(=O)C1=C(COC(=O)c2ccc([N+](=O)[O-])cc2)NC(=O)N[C@@H]1c1ccco1	ZINC000018186832	569385830	/nfs/dbraw/zinc/38/58/30/569385830.db2.gz	AAFUZJMAHKHARV-MRXNPFEDSA-N	0	0	415.358	2.216	50	5		HEBARN
COCCCNS(=O)(=O)c1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1	ZINC000009426428	569392652	/nfs/dbraw/zinc/39/26/52/569392652.db2.gz	YEZZATHEQCOVSZ-UHFFFAOYSA-N	0	0	407.448	2.470	50	5		HEBARN
CCOC(=O)C1=C(CSc2nccn2C)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000012412651	569400837	/nfs/dbraw/zinc/40/08/37/569400837.db2.gz	JJBLPZWZTWPQNH-HNNXBMFYSA-N	0	0	417.447	2.292	50	5		HEBARN
O=c1/c(=C/c2ccccc2[N+](=O)[O-])sc2nc([C@@H]3COc4ccccc4O3)nn12	ZINC000013031127	569407484	/nfs/dbraw/zinc/40/74/84/569407484.db2.gz	DTFDUCAYCHDZSA-HVVQPJKBSA-N	0	0	408.395	2.119	50	5		HEBARN
O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCN([C@@H]2CCSC2)CC1	ZINC000079046322	569425192	/nfs/dbraw/zinc/42/51/92/569425192.db2.gz	IHTQLVVCLONFBE-QGZVFWFLSA-N	0	0	404.536	2.461	50	5		HEBARN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1	ZINC000019889709	569433142	/nfs/dbraw/zinc/43/31/42/569433142.db2.gz	HEADGUDPPJYTOE-UHFFFAOYSA-N	0	0	406.420	2.010	50	5		HEBARN
COC(=O)c1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc([N+](=O)[O-])c1	ZINC000008705169	571103232	/nfs/dbraw/zinc/10/32/32/571103232.db2.gz	NCCLEBHBSHKBHR-UHFFFAOYSA-N	0	0	421.431	2.192	50	5		HEBARN
COc1ccc(NC(=O)COC(=O)c2cc(OC)c(OC)c(OC)c2)c([N+](=O)[O-])c1	ZINC000008790756	571119859	/nfs/dbraw/zinc/11/98/59/571119859.db2.gz	KNPZEUGJPSNHFV-UHFFFAOYSA-N	0	0	420.374	2.425	50	5		HEBARN
CCCCNC(=O)CN1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1	ZINC000039975984	571135680	/nfs/dbraw/zinc/13/56/80/571135680.db2.gz	AOIOBWMUHFKMAL-UHFFFAOYSA-N	0	0	404.492	2.484	50	5		HEBARN
Cc1ccc(CN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H]2CCS(=O)(=O)C2)o1	ZINC000008916232	571152047	/nfs/dbraw/zinc/15/20/47/571152047.db2.gz	AAIKGZATIITXBI-CQSZACIVSA-N	0	0	408.432	2.091	50	5		HEBARN
O=[N+]([O-])c1ccc(Nc2cnn(C[C@@H]3CCCO3)c2)c(S(=O)(=O)N2CCCC2)c1	ZINC000040139281	571189194	/nfs/dbraw/zinc/18/91/94/571189194.db2.gz	FQJJFXLNXRLMFT-INIZCTEOSA-N	0	0	421.479	2.498	50	5		HEBARN
CCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@H](C)O[C@H](C)[C@H]32)C1=O	ZINC000245329047	571224749	/nfs/dbraw/zinc/22/47/49/571224749.db2.gz	XFCKPAHRJYWKFD-YINZYUKRSA-N	0	0	416.434	2.448	50	5		HEBARN
CNC(=O)NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccccc1OC	ZINC000009156625	571231897	/nfs/dbraw/zinc/23/18/97/571231897.db2.gz	VPEBSXAFILTUHL-UHFFFAOYSA-N	0	0	415.431	2.490	50	5		HEBARN
Cn1cnnc1Sc1ccc(C(=O)OCC(=O)N2CCCCCC2)cc1[N+](=O)[O-]	ZINC000009283813	571244802	/nfs/dbraw/zinc/24/48/02/571244802.db2.gz	FBYLHBRADSSZMG-UHFFFAOYSA-N	0	0	419.463	2.434	50	5		HEBARN
O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000009355756	571250999	/nfs/dbraw/zinc/25/09/99/571250999.db2.gz	QJFGGMKIWBNDDT-UHFFFAOYSA-N	0	0	417.487	2.354	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)Cc1cn2ccsc2n1	ZINC000009631230	571274688	/nfs/dbraw/zinc/27/46/88/571274688.db2.gz	JCQGRTUVRDIJSC-SNVBAGLBSA-N	0	0	404.404	2.426	50	5		HEBARN
COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1	ZINC000009667387	571278139	/nfs/dbraw/zinc/27/81/39/571278139.db2.gz	ZAGBNQDEKOAOMB-UHFFFAOYSA-N	0	0	404.404	2.474	50	5		HEBARN
O=C(COC(=O)Cc1n[nH]c(=O)c2ccccc12)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000009716010	571281735	/nfs/dbraw/zinc/28/17/35/571281735.db2.gz	HPLBOHGMYNJUKK-UHFFFAOYSA-N	0	0	416.777	2.209	50	5		HEBARN
COc1cccc([C@@H]2c3c(-c4cccc([N+](=O)[O-])c4)n[nH]c(=O)c3Nc3nnnn32)c1	ZINC000010296469	571299617	/nfs/dbraw/zinc/29/96/17/571299617.db2.gz	OZBXUNSBMHHVIC-QGZVFWFLSA-N	0	0	418.373	2.447	50	5		HEBARN
O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)Nc1cccnc1Cl	ZINC000009982686	132244304	/nfs/dbraw/zinc/24/43/04/132244304.db2.gz	SGTHDDBPEGFXSR-UHFFFAOYSA-N	0	0	420.809	2.275	50	5		HEBARN
CN(Cc1ccccc1)C(=O)COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000004868517	132291131	/nfs/dbraw/zinc/29/11/31/132291131.db2.gz	SYBAJDOTEGVVLL-UHFFFAOYSA-N	0	0	413.430	2.247	50	5		HEBARN
C[C@@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccccc1	ZINC000004889921	132291748	/nfs/dbraw/zinc/29/17/48/132291748.db2.gz	KGPRHQFYZHZTNB-OAHLLOKOSA-N	0	0	413.430	2.466	50	5		HEBARN
O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc2c(c1)OCO2	ZINC000007977429	132326456	/nfs/dbraw/zinc/32/64/56/132326456.db2.gz	FUOBYPZUCTWXJU-UHFFFAOYSA-N	0	0	414.370	2.200	50	5		HEBARN
COc1ccc(OC)c(Nc2nc(N3C[C@@H](C)O[C@H](C)C3)nc(N)c2[N+](=O)[O-])c1	ZINC000009312253	132338497	/nfs/dbraw/zinc/33/84/97/132338497.db2.gz	KXZGQNQAXAOTKT-GHMZBOCLSA-N	0	0	404.427	2.341	50	5		HEBARN
COc1ccccc1C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000012521845	132361590	/nfs/dbraw/zinc/36/15/90/132361590.db2.gz	VQTPQGHZPAGWSW-UHFFFAOYSA-N	0	0	400.387	2.480	50	5		HEBARN
C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)OCC(=O)N3CCOCC3)cc2[N+](=O)[O-])C1	ZINC000012533623	132362098	/nfs/dbraw/zinc/36/20/98/132362098.db2.gz	OCHCFEUBXWUVAD-GASCZTMLSA-N	0	0	405.451	2.093	50	5		HEBARN
COc1ccc(S(=O)(=O)N(C)Cc2ccccc2N2CCOCC2)cc1[N+](=O)[O-]	ZINC000012634124	132365503	/nfs/dbraw/zinc/36/55/03/132365503.db2.gz	NUVLTTHANKIBFA-UHFFFAOYSA-N	0	0	421.475	2.261	50	5		HEBARN
C[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000031296211	132498157	/nfs/dbraw/zinc/49/81/57/132498157.db2.gz	WQBMLHRPJXCRTL-FMQWLBJXSA-N	0	0	408.458	2.462	50	5		HEBARN
CCC(CC)C(=O)N1CCN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	ZINC000032829811	521490072	/nfs/dbraw/zinc/49/00/72/521490072.db2.gz	REPQMRQCRNOUSU-UHFFFAOYSA-N	0	0	418.494	2.152	50	5		HEBARN
O=c1c2cc3c(ccn(Cc4ccccc4)c3=O)nc2ccn1CCN1CCOCC1	ZINC000030903277	558744400	/nfs/dbraw/zinc/74/44/00/558744400.db2.gz	BIJOGGFXUJLRRG-UHFFFAOYSA-N	0	0	416.481	2.092	50	5		HEBARN
C[C@@H]1CCCCN1C(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-]	ZINC000004579919	558762315	/nfs/dbraw/zinc/76/23/15/558762315.db2.gz	WLFJPTCSVLAJHQ-CQSZACIVSA-N	0	0	411.480	2.159	50	5		HEBARN
Cn1c(=O)c2c(n(C)c1=O)Oc1ccccc1N(N=O)[C@H]2c1ccc([N+](=O)[O-])cc1	ZINC000013511103	558835133	/nfs/dbraw/zinc/83/51/33/558835133.db2.gz	CCRGPJWWRZTQET-INIZCTEOSA-N	0	0	409.358	2.375	50	5		HEBARN
O=C1N(Cc2ccccc2Cl)c2ccccc2C12OCC(CO)([N+](=O)[O-])CO2	ZINC000004721819	558925388	/nfs/dbraw/zinc/92/53/88/558925388.db2.gz	PBEOVCQRGJUAMZ-UHFFFAOYSA-N	0	0	404.806	2.094	50	5		HEBARN
CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000023077457	558997998	/nfs/dbraw/zinc/99/79/98/558997998.db2.gz	CJSCXRIYHDMSAK-UHFFFAOYSA-N	0	0	416.409	2.281	50	5		HEBARN
O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H](CO)Cc2ccccc2)ccc1Br	ZINC000097163877	558998264	/nfs/dbraw/zinc/99/82/64/558998264.db2.gz	JFGVNASBPPXPMQ-GFCCVEGCSA-N	0	0	415.265	2.239	50	5		HEBARN
C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1cccs1)N1CCOCC1	ZINC000023181859	559031666	/nfs/dbraw/zinc/03/16/66/559031666.db2.gz	OPCAHCFFZFPZLQ-DYVFJYSZSA-N	0	0	411.505	2.397	50	5		HEBARN
CNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(CCc2ccc(OC)cc2)c1=N	ZINC000100752473	559139695	/nfs/dbraw/zinc/13/96/95/559139695.db2.gz	XQRYGZIQFNKWGE-UHFFFAOYSA-N	0	0	417.469	2.048	50	5	biogenic	HEBARN
O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)[n+]([O-])c1NCc1ccccc1Cl	ZINC000004831871	559162927	/nfs/dbraw/zinc/16/29/27/559162927.db2.gz	KNBRAQWSXCMPBS-UHFFFAOYSA-N	0	0	403.782	2.451	50	5	aggregator	HEBARN
Cc1ccc(S(=O)(=O)N2C[C@@H](c3cccc([N+](=O)[O-])c3)C(C(=O)[C@@H]3CO3)=N2)cc1	ZINC000004910574	559202324	/nfs/dbraw/zinc/20/23/24/559202324.db2.gz	KLKDJCSOJQMCRI-IRXDYDNUSA-N	0	0	415.427	2.015	50	5		HEBARN
COC(=O)c1cc2c(nc3ccccn3c2=O)n(CCc2ccc(OC)cc2)c1=N	ZINC000100753308	559263494	/nfs/dbraw/zinc/26/34/94/559263494.db2.gz	UIYFTMGDUUQMCO-UHFFFAOYSA-N	0	0	404.426	2.167	50	5	biogenic	HEBARN
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000005407710	560584322	/nfs/dbraw/zinc/58/43/22/560584322.db2.gz	ABLKSLYBFAVTSR-MRXNPFEDSA-N	0	0	406.464	2.040	50	5		HEBARN
Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)c(C)c1	ZINC000005419332	560584789	/nfs/dbraw/zinc/58/47/89/560584789.db2.gz	MCJOTCNJCBQGAV-UHFFFAOYSA-N	0	0	417.487	2.287	50	5		HEBARN
CCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(Cc2ccc(OC)cc2)c1=N	ZINC000100891635	560762081	/nfs/dbraw/zinc/76/20/81/560762081.db2.gz	RJPJJDAWZVRZAI-UHFFFAOYSA-N	0	0	417.469	2.244	50	5		HEBARN
CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12	ZINC000101407736	560794374	/nfs/dbraw/zinc/79/43/74/560794374.db2.gz	FDZPDWQOFWXZEN-UAFMIMERSA-N	0	0	418.409	2.371	50	5		HEBARN
O=C(COC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)NC[C@H]1CCCO1	ZINC000005710921	560828955	/nfs/dbraw/zinc/82/89/55/560828955.db2.gz	MDSQSDUMVFCVLG-MRXNPFEDSA-N	0	0	405.451	2.427	50	5		HEBARN
O=C(C1=C2C(O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2C=CC=NN12)c1cccc([N+](=O)[O-])c1	ZINC000103521067	560842891	/nfs/dbraw/zinc/84/28/91/560842891.db2.gz	JOOSAWWFWJAWFC-MANSERQUSA-N	0	0	416.393	2.192	50	5		HEBARN
C[C@@H](NC(=O)/C=C\c1ccccc1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000046867119	560878575	/nfs/dbraw/zinc/87/85/75/560878575.db2.gz	WQBMLHRPJXCRTL-WFTPILKQSA-N	0	0	408.458	2.462	50	5		HEBARN
O=C(NCCn1ncc2c1ncn(Cc1cccc([N+](=O)[O-])c1)c2=O)c1cccs1	ZINC000012071915	560888451	/nfs/dbraw/zinc/88/84/51/560888451.db2.gz	OIOLFRWTQSIYFH-UHFFFAOYSA-N	0	0	424.442	2.041	50	5		HEBARN
COCCn1c(=O)c2c(nc1SCC(=O)Nc1cccc([N+](=O)[O-])c1)CCS2	ZINC000012140303	560890085	/nfs/dbraw/zinc/89/00/85/560890085.db2.gz	OVSNPUAWHGEVKB-UHFFFAOYSA-N	0	0	422.488	2.177	50	5		HEBARN
O=C(COC(=O)COc1ccccc1[N+](=O)[O-])Nc1ccccc1C(=O)NC1CC1	ZINC000005753233	568419027	/nfs/dbraw/zinc/41/90/27/568419027.db2.gz	PDRLUHLYGOKRGZ-UHFFFAOYSA-N	0	0	413.386	2.048	50	5		HEBARN
O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cn2cccnc2=O)c1	ZINC000047732414	568431150	/nfs/dbraw/zinc/43/11/50/568431150.db2.gz	JRTKMRUQDXSPNM-SFHVURJKSA-N	0	0	409.402	2.055	50	5		HEBARN
Cn1c(=O)c2c(n(C)c1=O)N=C1c3ccccc3C(=O)[C@@H]1[C@H]2c1cccc([N+](=O)[O-])c1	ZINC000000649633	568456748	/nfs/dbraw/zinc/45/67/48/568456748.db2.gz	AGRTXIWHJHQUKK-HZPDHXFCSA-N	0	0	416.393	2.071	50	5		HEBARN
O=C(CN1CCOCC1)Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1F	ZINC000020272198	568596509	/nfs/dbraw/zinc/59/65/09/568596509.db2.gz	WEGIBENCHBHKKD-UHFFFAOYSA-N	0	0	402.382	2.257	50	5		HEBARN
O=[N+]([O-])c1ccc(OCCOc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1	ZINC000096562272	568760265	/nfs/dbraw/zinc/76/02/65/568760265.db2.gz	CYBWGEBFVTXSIT-UHFFFAOYSA-N	0	0	408.432	2.074	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1	ZINC000001154023	568774250	/nfs/dbraw/zinc/77/42/50/568774250.db2.gz	MSPPVASSRHGLHL-UHFFFAOYSA-N	0	0	415.402	2.093	50	5		HEBARN
C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000028727326	568804142	/nfs/dbraw/zinc/80/41/42/568804142.db2.gz	TZRCLQRXHHSAOO-GFCCVEGCSA-N	0	0	407.448	2.302	50	5		HEBARN
O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1	ZINC000002899074	568814942	/nfs/dbraw/zinc/81/49/42/568814942.db2.gz	VHZIIIYHWVLIPI-UHFFFAOYSA-N	0	0	420.328	2.379	50	5		HEBARN
O=C(c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000001175308	568818908	/nfs/dbraw/zinc/81/89/08/568818908.db2.gz	ZENVVTVGNGYPLE-UHFFFAOYSA-N	0	0	409.851	2.395	50	5		HEBARN
O=C(c1ccccc1Cl)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000001174939	568818913	/nfs/dbraw/zinc/81/89/13/568818913.db2.gz	DGMDVUXGXCJHBY-UHFFFAOYSA-N	0	0	409.851	2.395	50	5		HEBARN
COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c1	ZINC000001190336	568822668	/nfs/dbraw/zinc/82/26/68/568822668.db2.gz	YSSWYIBYCKRRFA-UHFFFAOYSA-N	0	0	418.358	2.438	50	5		HEBARN
O=C1N(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc2C12OCCCO2	ZINC000226760938	568823725	/nfs/dbraw/zinc/82/37/25/568823725.db2.gz	YBXBIKIKWQQPDS-UHFFFAOYSA-N	0	0	424.457	2.311	50	5		HEBARN
C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)N1CCCC1=O	ZINC000005940230	568831089	/nfs/dbraw/zinc/83/10/89/568831089.db2.gz	RSKVTJKNLJLUKG-VIFPVBQESA-N	0	0	403.313	2.106	50	5		HEBARN
Cc1ccccc1CS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000003017465	568838629	/nfs/dbraw/zinc/83/86/29/568838629.db2.gz	ITXQSHKQKRUGQY-UHFFFAOYSA-N	0	0	404.444	2.350	50	5		HEBARN
CN(Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1	ZINC000012555183	568855250	/nfs/dbraw/zinc/85/52/50/568855250.db2.gz	QJPSVCRYPZASEU-UHFFFAOYSA-N	0	0	409.439	2.391	50	5		HEBARN
NC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2NC(=O)c2cccs2)CC1	ZINC000003671765	568924557	/nfs/dbraw/zinc/92/45/57/568924557.db2.gz	JDVFLUCJIHRLPY-UHFFFAOYSA-N	0	0	402.432	2.246	50	5		HEBARN
Cc1ccc(C2N=NC(=S)N2CC(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000012857255	569011197	/nfs/dbraw/zinc/01/11/97/569011197.db2.gz	XFQHGXXSTRULIZ-MRXNPFEDSA-N	0	0	413.459	2.300	50	5		HEBARN
Cc1nn(CC(=O)NCC(=O)Nc2ccc(Br)cc2C)c(C)c1[N+](=O)[O-]	ZINC000012914850	569022208	/nfs/dbraw/zinc/02/22/08/569022208.db2.gz	XDNNHSPTEATXFP-UHFFFAOYSA-N	0	0	424.255	2.234	50	5		HEBARN
O=C(Cn1c(=O)c(N2CCCC2)nc2ccc([N+](=O)[O-])cc21)NCc1ccccc1	ZINC000012922446	569023219	/nfs/dbraw/zinc/02/32/19/569023219.db2.gz	BSKPMCNVOKVYEL-UHFFFAOYSA-N	0	0	407.430	2.221	50	5		HEBARN
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cn1ncc2ccc([N+](=O)[O-])cc21	ZINC000026614977	569051277	/nfs/dbraw/zinc/05/12/77/569051277.db2.gz	QVNPWVOVPRGLAD-UHFFFAOYSA-N	0	0	401.448	2.215	50	5		HEBARN
COc1cccc(COc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1	ZINC000089470115	569060960	/nfs/dbraw/zinc/06/09/60/569060960.db2.gz	PITWTSISGVCGIY-UHFFFAOYSA-N	0	0	408.432	2.203	50	5		HEBARN
CC(C)CNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3cnccn3)C[C@H]12	ZINC000035894904	569065110	/nfs/dbraw/zinc/06/51/10/569065110.db2.gz	UMCJBWSMGSPRIT-IEBWSBKVSA-N	0	0	410.478	2.025	50	5		HEBARN
Cc1cc(=O)c(C(=O)Nc2c[nH]nc2-c2ccccn2)nn1-c1ccccc1[N+](=O)[O-]	ZINC000089568471	569070398	/nfs/dbraw/zinc/07/03/98/569070398.db2.gz	XAYMEZKLFYTOJM-UHFFFAOYSA-N	0	0	417.385	2.487	50	5		HEBARN
CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000064819703	569102119	/nfs/dbraw/zinc/10/21/19/569102119.db2.gz	HAZACZQNQMAARI-QGZVFWFLSA-N	0	0	400.303	2.471	50	5		HEBARN
COc1cccc(CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)c1	ZINC000006911356	569180830	/nfs/dbraw/zinc/18/08/30/569180830.db2.gz	NGGJXHFPHBFSAE-UHFFFAOYSA-N	0	0	407.448	2.236	50	5		HEBARN
COc1cc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC	ZINC000006944675	569187266	/nfs/dbraw/zinc/18/72/66/569187266.db2.gz	YIJKXTUYJVEUAN-UHFFFAOYSA-N	0	0	403.391	2.379	50	5		HEBARN
CN1CCN(n2c(=O)nc(SCc3ccc([N+](=O)[O-])cc3)c3c2CCCC3)CC1	ZINC000010255221	569254102	/nfs/dbraw/zinc/25/41/02/569254102.db2.gz	SYFVPTBCMUIMDO-UHFFFAOYSA-N	0	0	415.519	2.206	50	5		HEBARN
O=[N+]([O-])c1ccc(COc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1	ZINC000089787932	569264522	/nfs/dbraw/zinc/26/45/22/569264522.db2.gz	SSBQQOZVBDEZRW-UHFFFAOYSA-N	0	0	423.403	2.103	50	5		HEBARN
CCOC(=O)[C@]1(C)CCCN1C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1	ZINC000089978162	569270618	/nfs/dbraw/zinc/27/06/18/569270618.db2.gz	IXKCBBWZDMMNEF-SFHVURJKSA-N	0	0	419.463	2.432	50	5		HEBARN
COc1ncnc(N(C)C)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br	ZINC000170677332	569298123	/nfs/dbraw/zinc/29/81/23/569298123.db2.gz	FFTLJKSYNXPWQE-UHFFFAOYSA-N	0	0	410.228	2.403	50	5		HEBARN
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H]3C=CC=NN3[C@@H](C(=O)C(C)(C)C)[C@H]2C1=O	ZINC000253487599	569381603	/nfs/dbraw/zinc/38/16/03/569381603.db2.gz	MLVLTNRIXBWLPR-LTIDMASMSA-N	0	0	410.430	2.232	50	5		HEBARN
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3C=CC=NN3[C@@H](C(=O)C(C)(C)C)[C@H]2C1=O	ZINC000253487783	569381776	/nfs/dbraw/zinc/38/17/76/569381776.db2.gz	QDGKZHNFOUFZDW-BSWAZPDLSA-N	0	0	410.430	2.232	50	5		HEBARN
COc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1	ZINC000009525985	569393490	/nfs/dbraw/zinc/39/34/90/569393490.db2.gz	LYMKXHBESVPXQR-CYBMUJFWSA-N	0	0	413.386	2.138	50	5		HEBARN
COC(=O)[C@@]1(C(F)(F)F)N=C2Sc3cc([N+](=O)[O-])ccc3N2C(N(C)C)=N1	ZINC000012413917	569400840	/nfs/dbraw/zinc/40/08/40/569400840.db2.gz	WCVCUPYTTYJIQF-ZDUSSCGKSA-N	0	0	403.342	2.226	50	5		HEBARN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1	ZINC000012805265	569403660	/nfs/dbraw/zinc/40/36/60/569403660.db2.gz	NDTQMOGSQGMALI-UHFFFAOYSA-N	0	0	403.460	2.036	50	5		HEBARN
Cc1ccc(S(=O)(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1[N+](=O)[O-]	ZINC000012799349	569403678	/nfs/dbraw/zinc/40/36/78/569403678.db2.gz	KHQSHLGLZWAVIF-GOSISDBHSA-N	0	0	405.476	2.255	50	5		HEBARN
O=C(c1ccc2c(c1)CCC2)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000012979918	569405684	/nfs/dbraw/zinc/40/56/84/569405684.db2.gz	PDOQIHJHBZTZAD-UHFFFAOYSA-N	0	0	415.471	2.230	50	5		HEBARN
O=C(COc1cc(F)ccc1[N+](=O)[O-])N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1	ZINC000013102426	569409114	/nfs/dbraw/zinc/40/91/14/569409114.db2.gz	ZCCUDSSWYWDHCV-INIZCTEOSA-N	0	0	422.434	2.329	50	5		HEBARN
O=C(O[C@H](C(=O)N1CCOCC1)c1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000019298444	569415260	/nfs/dbraw/zinc/41/52/60/569415260.db2.gz	BQPVNGPYPFNLFZ-SFHVURJKSA-N	0	0	414.370	2.080	50	5		HEBARN
O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCN([C@H]2CCSC2)CC1	ZINC000079046326	569425166	/nfs/dbraw/zinc/42/51/66/569425166.db2.gz	IHTQLVVCLONFBE-KRWDZBQOSA-N	0	0	404.536	2.461	50	5		HEBARN
Cc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1S(N)(=O)=O	ZINC000019618390	569425469	/nfs/dbraw/zinc/42/54/69/569425469.db2.gz	MCIFEWOWBVXLJK-UHFFFAOYSA-N	0	0	404.448	2.403	50	5		HEBARN
Cc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1[N+](=O)[O-]	ZINC000019782285	569429649	/nfs/dbraw/zinc/42/96/49/569429649.db2.gz	ZITFFZDDDZEYQW-UHFFFAOYSA-N	0	0	419.459	2.138	50	5		HEBARN
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000019852628	569431078	/nfs/dbraw/zinc/43/10/78/569431078.db2.gz	YYUAYTBLFHRDJI-UHFFFAOYSA-N	0	0	418.475	2.060	50	5		HEBARN
COc1ccc([C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])N2CCOCC2)cc1	ZINC000019897849	569433105	/nfs/dbraw/zinc/43/31/05/569433105.db2.gz	HVMWUNHZQHAFQI-LJQANCHMSA-N	0	0	415.446	2.172	50	5		HEBARN
CCCCCn1c(-c2ccc([N+](=O)[O-])cc2)cn2c3c(nc21)n(C)c(=O)n(C)c3=O	ZINC000008625518	571096906	/nfs/dbraw/zinc/09/69/06/571096906.db2.gz	WFPLFIZLWQQTJF-UHFFFAOYSA-N	0	0	410.434	2.452	50	5		HEBARN
COCCn1c(-c2cccc([N+](=O)[O-])c2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1	ZINC000008685743	571101630	/nfs/dbraw/zinc/10/16/30/571101630.db2.gz	VXCRWFCJIOIFRG-UHFFFAOYSA-N	0	0	421.413	2.156	50	5		HEBARN
COc1ccc(-c2noc(CN(C)S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc1	ZINC000009095319	571220994	/nfs/dbraw/zinc/22/09/94/571220994.db2.gz	SVLNFHHRGJEUGF-UHFFFAOYSA-N	0	0	404.404	2.474	50	5		HEBARN
COc1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCCO)cc1Cl	ZINC000009124851	571226191	/nfs/dbraw/zinc/22/61/91/571226191.db2.gz	GYCSPNCNFBBHBH-UHFFFAOYSA-N	0	0	423.809	2.457	50	5		HEBARN
C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(S(N)(=O)=O)cc1	ZINC000009339041	571249581	/nfs/dbraw/zinc/24/95/81/571249581.db2.gz	SQIPLCUKMVBWBN-ZDUSSCGKSA-N	0	0	418.475	2.333	50	5		HEBARN
CCn1c(COc2ccc(C)nc2[N+](=O)[O-])nc2cc(S(=O)(=O)N(C)C)ccc21	ZINC000009439121	571258935	/nfs/dbraw/zinc/25/89/35/571258935.db2.gz	YHUWKFLGYOJBNR-UHFFFAOYSA-N	0	0	419.463	2.497	50	5		HEBARN
COc1cc(NC(=O)COC(=O)c2ccc(NC(N)=O)cc2)c(C)cc1[N+](=O)[O-]	ZINC000009613188	571273903	/nfs/dbraw/zinc/27/39/03/571273903.db2.gz	FZVPXRJETLJFQI-UHFFFAOYSA-N	0	0	402.363	2.198	50	5		HEBARN
Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])nc2n1	ZINC000009962088	571292766	/nfs/dbraw/zinc/29/27/66/571292766.db2.gz	YGDGXRRABJLZCZ-UHFFFAOYSA-N	0	0	404.770	2.098	50	5		HEBARN
CCOC(=O)c1c(C)nc(=O)[nH]c1SCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1	ZINC000010213768	571296659	/nfs/dbraw/zinc/29/66/59/571296659.db2.gz	DRZZWPIVLQRQNS-UHFFFAOYSA-N	0	0	410.383	2.033	50	5		HEBARN
COc1ccc(-c2n[nH]c(=O)c3c2[C@@H](c2cccc([N+](=O)[O-])c2)n2nnnc2N3)cc1	ZINC000010295346	571299490	/nfs/dbraw/zinc/29/94/90/571299490.db2.gz	HBZKEALWPCODCL-QGZVFWFLSA-N	0	0	418.373	2.447	50	5		HEBARN
COc1ccc([C@@H]2c3c(-c4ccc([N+](=O)[O-])cc4)n[nH]c(=O)c3Nc3nnnn32)cc1	ZINC000010296125	571299558	/nfs/dbraw/zinc/29/95/58/571299558.db2.gz	BDVUHDXCKXLURL-QGZVFWFLSA-N	0	0	418.373	2.447	50	5		HEBARN
COc1cccc([C@H]2c3c(-c4cccc([N+](=O)[O-])c4)n[nH]c(=O)c3Nc3nnnn32)c1	ZINC000010296476	571299616	/nfs/dbraw/zinc/29/96/16/571299616.db2.gz	OZBXUNSBMHHVIC-KRWDZBQOSA-N	0	0	418.373	2.447	50	5		HEBARN
CCOc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)cc1	ZINC000003878563	132268989	/nfs/dbraw/zinc/26/89/89/132268989.db2.gz	WGDVSPVOMOHVNG-HXUWFJFHSA-N	0	0	424.457	2.448	50	5		HEBARN
Cc1ccc(C)c(N2CCN(c3cc(NCCO)c([N+](=O)[O-])c4nonc43)CC2)c1	ZINC000004668314	132281612	/nfs/dbraw/zinc/28/16/12/132281612.db2.gz	UUCWOQZVRZQLRW-UHFFFAOYSA-N	0	0	412.450	2.479	50	5		HEBARN
O=C(c1ccco1)N1CCN(c2cc(N3CCOCC3)c(F)cc2[N+](=O)[O-])CC1	ZINC000004998263	132297821	/nfs/dbraw/zinc/29/78/21/132297821.db2.gz	ZKCORNCEFWDJNR-UHFFFAOYSA-N	0	0	404.398	2.126	50	5		HEBARN
O=C1NC(=S)N(C2CC2)C(=O)[C@]12Cc1cc([N+](=O)[O-])ccc1N1CCCCC[C@@H]12	ZINC000009109822	132335980	/nfs/dbraw/zinc/33/59/80/132335980.db2.gz	KQQUHYXFSPMEEJ-UZLBHIALSA-N	0	0	414.487	2.292	50	5		HEBARN
CCc1nnc(NC(=O)CCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)s1	ZINC000009245244	132337535	/nfs/dbraw/zinc/33/75/35/132337535.db2.gz	XBXGLRXGSJSONB-UHFFFAOYSA-N	0	0	418.479	2.076	50	5		HEBARN
CCc1ccc(-c2nnn(CC(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)n2)cc1	ZINC000011294228	132347975	/nfs/dbraw/zinc/34/79/75/132347975.db2.gz	BFPUFGUUZRSZCP-UHFFFAOYSA-N	0	0	421.461	2.160	50	5		HEBARN
C[C@@H]1C[C@H]1C(=O)NCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000012538046	132362285	/nfs/dbraw/zinc/36/22/85/132362285.db2.gz	ZMEIJRRKSJFWNE-DGCLKSJQSA-N	0	0	414.384	2.034	50	5		HEBARN
CCC[C@@H](O)CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Br)c1Cl	ZINC000225835039	520804855	/nfs/dbraw/zinc/80/48/55/520804855.db2.gz	WRYNFKMSXFJEON-MRVPVSSYSA-N	0	0	401.666	2.450	50	5		HEBARN
C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(Cc2cn3ccccc3n2)CC1	ZINC000032853693	524281613	/nfs/dbraw/zinc/28/16/13/524281613.db2.gz	RICAXNLGWWYCNG-INIZCTEOSA-N	0	0	408.462	2.387	50	5		HEBARN
COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)cc1[N+](=O)[O-]	ZINC000020003086	525070387	/nfs/dbraw/zinc/07/03/87/525070387.db2.gz	RHLDMDPUIRIGKO-LBPRGKRZSA-N	0	0	403.420	2.224	50	5		HEBARN
Cc1ccccc1CN1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000032483316	525143350	/nfs/dbraw/zinc/14/33/50/525143350.db2.gz	SVARKFAOVDJHSH-UHFFFAOYSA-N	0	0	410.474	2.368	50	5		HEBARN
CS(=O)(=O)N1CCC(Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000032829241	525162730	/nfs/dbraw/zinc/16/27/30/525162730.db2.gz	MCHAJBXGPQRQHC-UHFFFAOYSA-N	0	0	412.346	2.358	50	5		HEBARN
CS(=O)(=O)c1ccc(C(=O)Nc2ccnn2Cc2ccccc2)cc1[N+](=O)[O-]	ZINC000032676054	525242932	/nfs/dbraw/zinc/24/29/32/525242932.db2.gz	AJQPHSOAKCMFOP-UHFFFAOYSA-N	0	0	400.416	2.495	50	5		HEBARN
CSc1n[nH]c(-n2ccc3nc4ccn(Cc5ccco5)c(=O)c4cc3c2=O)n1	ZINC000040398884	526205588	/nfs/dbraw/zinc/20/55/88/526205588.db2.gz	UNNNDARFCIEZKO-UHFFFAOYSA-N	0	0	406.427	2.182	50	5		HEBARN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3cc(-c4ccco4)on3)CC2)cc1	ZINC000032753311	527376061	/nfs/dbraw/zinc/37/60/61/527376061.db2.gz	NDVVFJWEXMMDKQ-UHFFFAOYSA-N	0	0	418.431	2.349	50	5		HEBARN
O=C(Nc1ccccc1O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000032779943	527428753	/nfs/dbraw/zinc/42/87/53/527428753.db2.gz	RYYBGUBSASVBEX-INIZCTEOSA-N	0	0	405.432	2.482	50	5		HEBARN
O=C(Nc1ccccc1O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000032779944	527428819	/nfs/dbraw/zinc/42/88/19/527428819.db2.gz	RYYBGUBSASVBEX-MRXNPFEDSA-N	0	0	405.432	2.482	50	5		HEBARN
O=c1/c(=C\c2ccccc2[N+](=O)[O-])sc2nc([C@H]3COc4ccccc4O3)nn12	ZINC000001128589	527432755	/nfs/dbraw/zinc/43/27/55/527432755.db2.gz	DTFDUCAYCHDZSA-INQNZLQJSA-N	0	0	408.395	2.119	50	5		HEBARN
CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1	ZINC000020893990	535792484	/nfs/dbraw/zinc/79/24/84/535792484.db2.gz	CVDQDLYUUOJAHP-OLZOCXBDSA-N	0	0	406.439	2.222	50	5		HEBARN
COC(=O)c1cc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)ccc1N1CCOCC1	ZINC000004711495	536559304	/nfs/dbraw/zinc/55/93/04/536559304.db2.gz	XMTISMPLUGGRDE-UHFFFAOYSA-N	0	0	415.402	2.479	50	5		HEBARN
Cc1c(O[C@@H](C)C(=O)NCCN2CCOCC2)ccc2c3ccccc3c(=O)oc12	ZINC000020533608	558384960	/nfs/dbraw/zinc/38/49/60/558384960.db2.gz	QQEDUAWECGZXEW-INIZCTEOSA-N	0	0	410.470	2.470	50	5		HEBARN
O=C(NC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)cc1	ZINC000028052560	558690448	/nfs/dbraw/zinc/69/04/48/558690448.db2.gz	LQBKPFNBMYUCBM-UHFFFAOYSA-N	0	0	407.423	2.317	50	5		HEBARN
Cc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000004569322	558737158	/nfs/dbraw/zinc/73/71/58/558737158.db2.gz	COSDWOFECOBWQA-KRWDZBQOSA-N	0	0	403.460	2.486	50	5		HEBARN
CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN(c2ccc(F)cc2)CC1	ZINC000072307755	558765945	/nfs/dbraw/zinc/76/59/45/558765945.db2.gz	GRCVRZIACDGDDZ-UHFFFAOYSA-N	0	0	424.454	2.242	50	5		HEBARN
COC(=O)c1cc(C(=O)N(C)Cc2ccccc2N2CCOCC2)cc([N+](=O)[O-])c1	ZINC000016110802	558772464	/nfs/dbraw/zinc/77/24/64/558772464.db2.gz	RVRUGUHJHDYVMD-UHFFFAOYSA-N	0	0	413.430	2.490	50	5		HEBARN
CCN(CC)S(=O)(=O)c1ccc(N2CCC[C@H](C3OCCO3)C2)c([N+](=O)[O-])c1	ZINC000060362989	558888217	/nfs/dbraw/zinc/88/82/17/558888217.db2.gz	GULSPCLKDAXMOV-AWEZNQCLSA-N	0	0	413.496	2.215	50	5		HEBARN
O=C(CN1C(=O)CC2(CCCCC2)C1=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2	ZINC000011228807	558892219	/nfs/dbraw/zinc/89/22/19/558892219.db2.gz	HRGFJDDINAYIKH-UHFFFAOYSA-N	0	0	417.418	2.404	50	5		HEBARN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](c1cccs1)N1CCOCC1	ZINC000023106852	559010321	/nfs/dbraw/zinc/01/03/21/559010321.db2.gz	GZYMZHMORVBWBA-MRXNPFEDSA-N	0	0	418.475	2.093	50	5		HEBARN
Cc1nn(CC(=O)Nc2ncc([N+](=O)[O-])s2)c(C)c1I	ZINC000004745452	559046426	/nfs/dbraw/zinc/04/64/26/559046426.db2.gz	PBZVRNLLGRZCTQ-UHFFFAOYSA-N	0	0	407.193	2.108	50	5		HEBARN
Cc1cccn2c1nc1c(cc(C(=O)NC[C@H]3CCCO3)c(=N)n1C1CCCC1)c2=O	ZINC000100627865	559137075	/nfs/dbraw/zinc/13/70/75/559137075.db2.gz	GGMIFFPFTQSWTL-MRXNPFEDSA-N	0	0	421.501	2.461	50	5		HEBARN
Cc1ccc(S(=O)(=O)N2C[C@H](c3cccc([N+](=O)[O-])c3)C(C(=O)[C@@H]3CO3)=N2)cc1	ZINC000004910570	559202327	/nfs/dbraw/zinc/20/23/27/559202327.db2.gz	KLKDJCSOJQMCRI-SJORKVTESA-N	0	0	415.427	2.015	50	5		HEBARN
CCN(CC)S(=O)(=O)c1ccc(NC[C@@H](CO)Cc2ccco2)c([N+](=O)[O-])c1	ZINC000024205822	559277554	/nfs/dbraw/zinc/27/75/54/559277554.db2.gz	OXMQUOXEFVUGJC-AWEZNQCLSA-N	0	0	411.480	2.481	50	5		HEBARN
Cc1ccc([C@H](CN2CCOCC2)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000024209208	559278745	/nfs/dbraw/zinc/27/87/45/559278745.db2.gz	OOGHORFFSLUUQL-IBGZPJMESA-N	0	0	405.476	2.255	50	5		HEBARN
O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1	ZINC000003557300	560596577	/nfs/dbraw/zinc/59/65/77/560596577.db2.gz	IMEMVOMCSMNONL-XNTDXEJSSA-N	0	0	401.444	2.353	50	5		HEBARN
O=C(C1=C2C(O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2C=CC=NN12)c1ccccc1	ZINC000018203971	560783983	/nfs/dbraw/zinc/78/39/83/560783983.db2.gz	FLBVUNVQDLPVID-CADBVGFASA-N	0	0	416.393	2.192	50	5		HEBARN
O=C(C1=C2C(O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2C=CC=NN12)c1cccc([N+](=O)[O-])c1	ZINC000103521070	560842908	/nfs/dbraw/zinc/84/29/08/560842908.db2.gz	JOOSAWWFWJAWFC-MKXGPGLRSA-N	0	0	416.393	2.192	50	5		HEBARN
COC(=O)C(=O)N=c1sc2cc(C)ccc2n1CC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000103746379	560844453	/nfs/dbraw/zinc/84/44/53/560844453.db2.gz	YTRBANRAYQRPHR-VXPUYCOJSA-N	0	0	413.411	2.403	50	5		HEBARN
CN(C)c1ccc(C(=O)c2ccccc2C(=O)N2CCC(C(N)=O)CC2)cc1[N+](=O)[O-]	ZINC000024599606	560886135	/nfs/dbraw/zinc/88/61/35/560886135.db2.gz	ZOXUTDDHPZVUGV-UHFFFAOYSA-N	0	0	424.457	2.229	50	5		HEBARN
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H](C)Cn1ccnc1	ZINC000048235833	568432798	/nfs/dbraw/zinc/43/27/98/568432798.db2.gz	DGLPAKBIXVQWAP-LRDDRELGSA-N	0	0	407.858	2.404	50	5		HEBARN
NC(=O)c1ccc(N2CCN(C(=O)c3ccccc3OC(F)F)CC2)c([N+](=O)[O-])c1	ZINC000024839849	568470684	/nfs/dbraw/zinc/47/06/84/568470684.db2.gz	IUOMPDRMMXOZDP-UHFFFAOYSA-N	0	0	420.372	2.258	50	5		HEBARN
Cc1cccc(NC(=O)CSCC(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000022061507	568473617	/nfs/dbraw/zinc/47/36/17/568473617.db2.gz	RLKNFWLBJXFKID-KRWDZBQOSA-N	0	0	403.460	2.425	50	5		HEBARN
COC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12	ZINC000020292690	568597628	/nfs/dbraw/zinc/59/76/28/568597628.db2.gz	RLECGFLZYIEZDY-MANSERQUSA-N	0	0	419.393	2.283	50	5		HEBARN
CC(=O)Oc1ccccc1[C@H]1OC(c2cc3c(cc2[N+](=O)[O-])OCO3)=NN1C(C)=O	ZINC000021092139	568664303	/nfs/dbraw/zinc/66/43/03/568664303.db2.gz	WAMPETQPIUKKEH-LJQANCHMSA-N	0	0	413.342	2.488	50	5		HEBARN
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000000851600	568711727	/nfs/dbraw/zinc/71/17/27/568711727.db2.gz	XXYYPNVOALDOIH-UHFFFAOYSA-N	0	0	405.432	2.176	50	5		HEBARN
C[C@H]1CCCN(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)C1	ZINC000027967918	568774486	/nfs/dbraw/zinc/77/44/86/568774486.db2.gz	CBGULMHTGKQJMO-HNNXBMFYSA-N	0	0	419.507	2.242	50	5		HEBARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1cccc(C)c1	ZINC000002494477	568776327	/nfs/dbraw/zinc/77/63/27/568776327.db2.gz	LNMSXMYWQPSTIS-QQTULTPQSA-N	0	0	416.437	2.412	50	5		HEBARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1cccc(F)c1	ZINC000002494483	568776384	/nfs/dbraw/zinc/77/63/84/568776384.db2.gz	NBALTEXSKKONTE-PLRJNAJWSA-N	0	0	420.400	2.243	50	5		HEBARN
CCC[C@H](O)CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Br)c1Cl	ZINC000225835020	568782902	/nfs/dbraw/zinc/78/29/02/568782902.db2.gz	WRYNFKMSXFJEON-QMMMGPOBSA-N	0	0	401.666	2.450	50	5		HEBARN
Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1[N+](=O)[O-]	ZINC000002621570	568787423	/nfs/dbraw/zinc/78/74/23/568787423.db2.gz	RNFJZXBYKFJFSA-UHFFFAOYSA-N	0	0	405.432	2.176	50	5		HEBARN
O=C1Nc2ccc(S(=O)(=O)NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)c3cccc1c23	ZINC000002685055	568800626	/nfs/dbraw/zinc/80/06/26/568800626.db2.gz	BGCNJTLPTXKOGS-MRXNPFEDSA-N	0	0	413.411	2.326	50	5		HEBARN
CCCc1cc2c(nc(C)n(NC(=O)CCn3cc([N+](=O)[O-])c(C)n3)c2=O)s1	ZINC000002782150	568808410	/nfs/dbraw/zinc/80/84/10/568808410.db2.gz	OVARWLVWMXGZQC-UHFFFAOYSA-N	0	0	404.452	2.292	50	5		HEBARN
Cc1nn(Cc2nc3c4c(C)c(C(=O)N(C)C)sc4ncn3n2)c(C)c1[N+](=O)[O-]	ZINC000002791445	568809934	/nfs/dbraw/zinc/80/99/34/568809934.db2.gz	JRLJVZHLPXLFHK-UHFFFAOYSA-N	0	0	414.451	2.119	50	5		HEBARN
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C	ZINC000002859419	568813321	/nfs/dbraw/zinc/81/33/21/568813321.db2.gz	DHCXMFNBNGSLQM-UHFFFAOYSA-N	0	0	407.448	2.479	50	5		HEBARN
CCOc1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c([N+](=O)[O-])c1	ZINC000005869531	568827166	/nfs/dbraw/zinc/82/71/66/568827166.db2.gz	GOASMIITLQNJIE-CWTRNNRKSA-N	0	0	404.423	2.433	50	5		HEBARN
Cc1cc(C(=O)NCC(=O)OCC(=O)NC2CCCCCCC2)ccc1[N+](=O)[O-]	ZINC000005944089	568831480	/nfs/dbraw/zinc/83/14/80/568831480.db2.gz	JQARPIAFKMZZCJ-UHFFFAOYSA-N	0	0	405.451	2.405	50	5		HEBARN
O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000029847406	568837873	/nfs/dbraw/zinc/83/78/73/568837873.db2.gz	YGEMFJXCBATRDE-CQSZACIVSA-N	0	0	405.432	2.188	50	5		HEBARN
CCOC(=O)CS(=O)(=O)c1ccc(C(=O)NCc2ccc(F)cc2)cc1[N+](=O)[O-]	ZINC000003023959	568840867	/nfs/dbraw/zinc/84/08/67/568840867.db2.gz	ROMFTEJHRKCUNW-UHFFFAOYSA-N	0	0	424.406	2.001	50	5		HEBARN
CCCNC(=O)CN1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1	ZINC000057681899	568858233	/nfs/dbraw/zinc/85/82/33/568858233.db2.gz	UVQSFYCHCFNSGL-UHFFFAOYSA-N	0	0	410.474	2.474	50	5		HEBARN
COc1cc(CC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc(OC)c1OC	ZINC000003241958	568866550	/nfs/dbraw/zinc/86/65/50/568866550.db2.gz	VGPIHFYBNRFGSW-UHFFFAOYSA-N	0	0	404.375	2.345	50	5		HEBARN
CCOCCN(C[C@@H](C)C(=O)OC)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1	ZINC000058277873	568907853	/nfs/dbraw/zinc/90/78/53/568907853.db2.gz	CSRQRGNKMYGJBH-CQSZACIVSA-N	0	0	404.423	2.068	50	5		HEBARN
C[C@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1cccc(O)c1	ZINC000058281673	568908435	/nfs/dbraw/zinc/90/84/35/568908435.db2.gz	KHSXQMUYDRIDMU-ZDUSSCGKSA-N	0	0	407.448	2.494	50	5		HEBARN
Cc1ccc(F)cc1NC(=O)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	ZINC000003503188	568910539	/nfs/dbraw/zinc/91/05/39/568910539.db2.gz	BFKLCYHCWUSMRD-UHFFFAOYSA-N	0	0	410.379	2.241	50	5		HEBARN
Cc1ccc([N+](=O)[O-])c(NC(=O)CN(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1C	ZINC000025795744	568915136	/nfs/dbraw/zinc/91/51/36/568915136.db2.gz	QXUCZERSPORVKQ-CQSZACIVSA-N	0	0	420.491	2.491	50	5		HEBARN
COc1ccc(N2C(=O)N(c3ccc([N+](=O)[O-])cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000004302953	568959951	/nfs/dbraw/zinc/95/99/51/568959951.db2.gz	VJNDFLGKHMYKJZ-DLBZAZTESA-N	0	0	403.416	2.216	50	5		HEBARN
COc1ccc(N(CC(=O)N(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000004313639	568960651	/nfs/dbraw/zinc/96/06/51/568960651.db2.gz	KZFAZWWWTXQZAM-UHFFFAOYSA-N	0	0	407.448	2.195	50	5		HEBARN
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1	ZINC000008286309	568987694	/nfs/dbraw/zinc/98/76/94/568987694.db2.gz	COBKJFIUEWJUBS-MRXNPFEDSA-N	0	0	405.432	2.304	50	5		HEBARN
Cc1cccc(C2N=NC(=S)N2CC(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000012995843	569048319	/nfs/dbraw/zinc/04/83/19/569048319.db2.gz	MXQAYSZUVOFKQS-MRXNPFEDSA-N	0	0	413.459	2.300	50	5		HEBARN
CN(Cc1ccccc1F)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1	ZINC000006911130	569180853	/nfs/dbraw/zinc/18/08/53/569180853.db2.gz	DAIGYZAFPBWDRZ-UHFFFAOYSA-N	0	0	409.439	2.391	50	5		HEBARN
COCOc1cc([N+](=O)[O-])c(C(=O)NCc2cccnc2-n2cccn2)cc1OC	ZINC000170595781	569241648	/nfs/dbraw/zinc/24/16/48/569241648.db2.gz	VNIDHUXNQHAECE-UHFFFAOYSA-N	0	0	413.390	2.097	50	5		HEBARN
Cc1cc(O)c(C(c2cccc([N+](=O)[O-])c2)c2c(O)cc(C)n(C)c2=O)c(=O)n1C	ZINC000010217723	569253568	/nfs/dbraw/zinc/25/35/68/569253568.db2.gz	IMOKYMIRKNHWTF-UHFFFAOYSA-N	0	0	411.414	2.200	50	5		HEBARN
CCN1C(=O)[C@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3N=Cc4ccccc4[C@H]3[C@H]2C1=O	ZINC000249680934	569255330	/nfs/dbraw/zinc/25/53/30/569255330.db2.gz	AYYWAUVPDVVMLV-ZSYWTGECSA-N	0	0	418.409	2.172	50	5		HEBARN
O=[N+]([O-])c1cccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1	ZINC000089780731	569264231	/nfs/dbraw/zinc/26/42/31/569264231.db2.gz	DSIBJXSKNGETEF-UHFFFAOYSA-N	0	0	409.376	2.316	50	5		HEBARN
Cc1ccc(C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1[N+](=O)[O-]	ZINC000016964573	569268839	/nfs/dbraw/zinc/26/88/39/569268839.db2.gz	BHLNUIVHLRZMIW-IBGZPJMESA-N	0	0	411.414	2.170	50	5		HEBARN
CC(C)(C)OC(=O)N1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H](c2ccncc2)C1	ZINC000252492379	569290602	/nfs/dbraw/zinc/29/06/02/569290602.db2.gz	MKGWDVNABCTRPF-OAHLLOKOSA-N	0	0	416.438	2.007	50	5		HEBARN
COc1cccc(N2C(=O)N(c3ccc([N+](=O)[O-])cc3)[C@H]3CS(=O)(=O)C[C@H]32)c1	ZINC000007718528	569302088	/nfs/dbraw/zinc/30/20/88/569302088.db2.gz	GNJYLGZWPQCFLP-DLBZAZTESA-N	0	0	403.416	2.216	50	5		HEBARN
COCCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000002249252	569324493	/nfs/dbraw/zinc/32/44/93/569324493.db2.gz	MCLWAGRRMDJQST-ABAIWWIYSA-N	0	0	405.432	2.433	50	5		HEBARN
Cn1c(CN2CCN(C(=O)COc3ccccc3)CC2)nc2cc([N+](=O)[O-])ccc21	ZINC000013003476	569406347	/nfs/dbraw/zinc/40/63/47/569406347.db2.gz	BWOBOLKHTXTPAB-UHFFFAOYSA-N	0	0	409.446	2.205	50	5		HEBARN
CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N(C)C(=O)N1C	ZINC000013041409	569407745	/nfs/dbraw/zinc/40/77/45/569407745.db2.gz	QFRHTDXSBONCNB-INIZCTEOSA-N	0	0	408.842	2.419	50	5		HEBARN
COc1ccc(-n2nc([N+](=O)[O-])c(NCCc3ccc(OC)c(OC)c3)[n+]2[O-])cc1	ZINC000008682903	571101355	/nfs/dbraw/zinc/10/13/55/571101355.db2.gz	IVRMAQTUVGOMAA-UHFFFAOYSA-N	0	0	415.406	2.094	50	5		HEBARN
Cc1cc(C(N)=O)ccc1NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O	ZINC000040090726	571160948	/nfs/dbraw/zinc/16/09/48/571160948.db2.gz	CMOLYPXBXNPUFF-UHFFFAOYSA-N	0	0	407.386	2.109	50	5		HEBARN
O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C(=O)N1Cc1ccccc1	ZINC000008974817	571197871	/nfs/dbraw/zinc/19/78/71/571197871.db2.gz	DWEUHKZXUGFAPK-GCJKJVERSA-N	0	0	420.425	2.385	50	5		HEBARN
COC(=O)Cc1cc(=O)[nH]c(SCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])n1	ZINC000009051198	571216278	/nfs/dbraw/zinc/21/62/78/571216278.db2.gz	LBMYGGCVVFCMDD-UHFFFAOYSA-N	0	0	406.420	2.154	50	5		HEBARN
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCc1nnc(-c2cccs2)o1	ZINC000009283259	571244893	/nfs/dbraw/zinc/24/48/93/571244893.db2.gz	UTZLGMZPSGDPRF-UHFFFAOYSA-N	0	0	414.355	2.046	50	5		HEBARN
Cn1c2nc3n(cc(-c4ccc([N+](=O)[O-])cc4)n3-c3ccccc3)c2c(=O)n(C)c1=O	ZINC000009313402	571247259	/nfs/dbraw/zinc/24/72/59/571247259.db2.gz	QIADJTJQEVMCJO-UHFFFAOYSA-N	0	0	416.397	2.251	50	5		HEBARN
Cn1nc(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2c1=O	ZINC000009373424	571252697	/nfs/dbraw/zinc/25/26/97/571252697.db2.gz	ASHSPKIKPMKRAU-UHFFFAOYSA-N	0	0	416.777	2.291	50	5		HEBARN
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C	ZINC000009509383	571264072	/nfs/dbraw/zinc/26/40/72/571264072.db2.gz	MLRDMGLTAXLMDW-UHFFFAOYSA-N	0	0	422.463	2.172	50	5		HEBARN
Cc1c(C(=O)NCc2nnc(SCC(=O)N3CCCCC3)o2)cccc1[N+](=O)[O-]	ZINC000009518640	571265591	/nfs/dbraw/zinc/26/55/91/571265591.db2.gz	OMHKGSSDUGMQHT-UHFFFAOYSA-N	0	0	419.463	2.321	50	5		HEBARN
O=c1[nH]nc(-c2ccc([N+](=O)[O-])cc2)c2c1Nc1nnnn1[C@H]2c1ccc(O)cc1	ZINC000010296420	571299598	/nfs/dbraw/zinc/29/95/98/571299598.db2.gz	GEEJHHZVFFGHIQ-INIZCTEOSA-N	0	0	404.346	2.144	50	5		HEBARN
O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC(=O)Nc2ccccc21	ZINC000009120505	132228180	/nfs/dbraw/zinc/22/81/80/132228180.db2.gz	QOWPBDPWEJNOGA-UHFFFAOYSA-N	0	0	424.413	2.337	50	5		HEBARN
COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c([N+](=O)[O-])c1	ZINC000004013667	132269678	/nfs/dbraw/zinc/26/96/78/132269678.db2.gz	PGIWMELRJGWFPO-UHFFFAOYSA-N	0	0	419.459	2.201	50	5		HEBARN
COc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1[N+](=O)[O-]	ZINC000004263284	132273951	/nfs/dbraw/zinc/27/39/51/132273951.db2.gz	DMYCYVBZQQJFFD-UHFFFAOYSA-N	0	0	407.448	2.123	50	5		HEBARN
CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccccc3)c2)CC1	ZINC000004406375	132276514	/nfs/dbraw/zinc/27/65/14/132276514.db2.gz	IXBKKSMQRGIQIY-UHFFFAOYSA-N	0	0	404.492	2.331	50	5		HEBARN
CCN1C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)N(C)C1=S	ZINC000004624649	132280635	/nfs/dbraw/zinc/28/06/35/132280635.db2.gz	BPKPJHLOCGKLCP-DNVCBOLYSA-N	0	0	402.476	2.102	50	5		HEBARN
NC(=O)c1c2c(sc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)CCC2	ZINC000004811241	132289341	/nfs/dbraw/zinc/28/93/41/132289341.db2.gz	WBXBRJSLQSKXDW-UHFFFAOYSA-N	0	0	416.459	2.333	50	5		HEBARN
COC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1	ZINC000012521630	132361598	/nfs/dbraw/zinc/36/15/98/132361598.db2.gz	APGMTSHCELMCNH-UHFFFAOYSA-N	0	0	419.459	2.033	50	5		HEBARN
O=C(NCCCN1CCCC1=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12	ZINC000023187119	132478980	/nfs/dbraw/zinc/47/89/80/132478980.db2.gz	WLQQWDTUXAFSAM-MJGOQNOKSA-N	0	0	400.479	2.255	50	5		HEBARN
COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccccc1C(=O)N1CCOCC1	ZINC000032883580	522978844	/nfs/dbraw/zinc/97/88/44/522978844.db2.gz	ALBWNKCYASLYJJ-UHFFFAOYSA-N	0	0	415.402	2.093	50	5		HEBARN
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](c1ccccc1)N1CCOCC1	ZINC000045806224	525931193	/nfs/dbraw/zinc/93/11/93/525931193.db2.gz	KFDKQVXWZIDQNF-GOSISDBHSA-N	0	0	405.476	2.255	50	5		HEBARN
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3C=CC=NN3[C@H](C(=O)C(C)(C)C)[C@H]2C1=O	ZINC000253487784	526076467	/nfs/dbraw/zinc/07/64/67/526076467.db2.gz	QDGKZHNFOUFZDW-HJWJTTGWSA-N	0	0	410.430	2.232	50	5		HEBARN
CN1C(=O)N(C)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N(C)[C@H]2c2ccccc2)C1=O	ZINC000005376814	536320845	/nfs/dbraw/zinc/32/08/45/536320845.db2.gz	DLPYQYJYMQVKAU-KRWDZBQOSA-N	0	0	408.414	2.365	50	5		HEBARN
COc1ccccc1N1C(=O)N(c2cccc([N+](=O)[O-])c2)[C@H]2CS(=O)(=O)C[C@H]21	ZINC000004393686	558485981	/nfs/dbraw/zinc/48/59/81/558485981.db2.gz	UFXZDMMMVSOULU-JKSUJKDBSA-N	0	0	403.416	2.216	50	5		HEBARN
COc1ccccc1N1C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000004393625	558486016	/nfs/dbraw/zinc/48/60/16/558486016.db2.gz	SFBXONOUYYIQBC-CVEARBPZSA-N	0	0	403.416	2.216	50	5		HEBARN
COc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)c([N+](=O)[O-])c1	ZINC000004477102	558598101	/nfs/dbraw/zinc/59/81/01/558598101.db2.gz	OYWRFZLHQAHENO-FQEVSTJZSA-N	0	0	412.402	2.318	50	5		HEBARN
COc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)c([N+](=O)[O-])c1	ZINC000004477101	558598138	/nfs/dbraw/zinc/59/81/38/558598138.db2.gz	OYWRFZLHQAHENO-HXUWFJFHSA-N	0	0	412.402	2.318	50	5		HEBARN
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCCCCC2)c([N+](=O)[O-])c1	ZINC000004564825	558730173	/nfs/dbraw/zinc/73/01/73/558730173.db2.gz	LMWYHKXSXGLIJN-UHFFFAOYSA-N	0	0	413.496	2.407	50	5		HEBARN
COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CCC(=O)c1ccc(N)cc1	ZINC000072312559	558837690	/nfs/dbraw/zinc/83/76/90/558837690.db2.gz	LHMKKCNYNKFAEA-UHFFFAOYSA-N	0	0	401.375	2.330	50	5		HEBARN
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000096602266	558981435	/nfs/dbraw/zinc/98/14/35/558981435.db2.gz	WGDBBDXIWYQDST-KRWDZBQOSA-N	0	0	403.416	2.139	50	5		HEBARN
Cc1ccc(C(=O)COC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)cc1[N+](=O)[O-]	ZINC000005040812	559235654	/nfs/dbraw/zinc/23/56/54/559235654.db2.gz	ZFFCTWUSUQEVTQ-XCLFUZPHSA-N	0	0	417.418	2.130	50	5		HEBARN
COc1ccccc1CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000033770333	559243689	/nfs/dbraw/zinc/24/36/89/559243689.db2.gz	FTKRHPKRFWRCMN-UHFFFAOYSA-N	0	0	407.448	2.236	50	5		HEBARN
CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCC(=O)NCc2ccco2)CC1	ZINC000024278085	559281750	/nfs/dbraw/zinc/28/17/50/559281750.db2.gz	WMUUMKMNLZAVLG-UHFFFAOYSA-N	0	0	400.435	2.470	50	5		HEBARN
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1cccc([N+](=O)[O-])c1	ZINC000005407697	560584326	/nfs/dbraw/zinc/58/43/26/560584326.db2.gz	XCUPNCRPJBWQOD-MRXNPFEDSA-N	0	0	406.464	2.040	50	5		HEBARN
CC(C)[C@@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1ccc(F)cc1[N+](=O)[O-]	ZINC000006377205	560729487	/nfs/dbraw/zinc/72/94/87/560729487.db2.gz	GGJBTAWSWJLKFE-MRXNPFEDSA-N	0	0	407.354	2.263	50	5		HEBARN
Nc1c2nc(-c3ccccc3[N+](=O)[O-])[nH]c(=O)c2nc(=O)n1-c1ccc(Cl)cc1	ZINC000100942494	560763503	/nfs/dbraw/zinc/76/35/03/560763503.db2.gz	VOXIYOIUYLMBIE-UHFFFAOYSA-N	0	0	410.777	2.110	50	5		HEBARN
COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(=O)[C@H]23)cc1OC	ZINC000101312433	560791469	/nfs/dbraw/zinc/79/14/69/560791469.db2.gz	PGDCRVUWGQCJBE-AEFFLSMTSA-N	0	0	411.370	2.213	50	5		HEBARN
O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc(NCCCN2CCOCC2)c([N+](=O)[O-])c1	ZINC000102783824	560827439	/nfs/dbraw/zinc/82/74/39/560827439.db2.gz	NOKMAPIEJXEQGM-CALCHBBNSA-N	0	0	416.478	2.409	50	5		HEBARN
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000000840813	568522058	/nfs/dbraw/zinc/52/20/58/568522058.db2.gz	PIYLZWXHRIZHDC-XCVCLJGOSA-N	0	0	417.443	2.268	50	5		HEBARN
O=C(NC(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1c(F)cccc1Cl	ZINC000020413294	568605049	/nfs/dbraw/zinc/60/50/49/568605049.db2.gz	FPDOWBXHDIZHDE-UHFFFAOYSA-N	0	0	407.789	2.454	50	5		HEBARN
CCOC(=O)c1ccccc1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000000850471	568711346	/nfs/dbraw/zinc/71/13/46/568711346.db2.gz	CWGGCRMULMECPF-UHFFFAOYSA-N	0	0	411.370	2.396	50	5		HEBARN
O=C(c1ccc([N+](=O)[O-])cc1)N1CCO[C@H](CN2CCN(c3ccccc3)CC2)C1	ZINC000034685945	568733592	/nfs/dbraw/zinc/73/35/92/568733592.db2.gz	KWYUKEIVYYDWTP-OAQYLSRUSA-N	0	0	410.474	2.258	50	5		HEBARN
Cc1ccc2c(c1)C(=O)N(CCC(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-])C2=O	ZINC000025084614	568749432	/nfs/dbraw/zinc/74/94/32/568749432.db2.gz	GZHBIRRWMZQVCS-UHFFFAOYSA-N	0	0	411.370	2.071	50	5		HEBARN
O=C(COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc(Cl)cc1	ZINC000000941652	568753250	/nfs/dbraw/zinc/75/32/50/568753250.db2.gz	ZHRMXFNUQXDCKS-UHFFFAOYSA-N	0	0	417.761	2.026	50	5		HEBARN
COc1ccccc1CCNC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O	ZINC000021901974	568760096	/nfs/dbraw/zinc/76/00/96/568760096.db2.gz	FLAMENHYQWIGDG-UHFFFAOYSA-N	0	0	408.414	2.430	50	5		HEBARN
O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000025326352	568763935	/nfs/dbraw/zinc/76/39/35/568763935.db2.gz	MTVAHHARRWNQNO-OAHLLOKOSA-N	0	0	406.420	2.368	50	5		HEBARN
CCn1ncc(Cn2cc(NC(=O)CCn3cc(Cl)c([N+](=O)[O-])n3)cn2)c1C	ZINC000002730590	568804321	/nfs/dbraw/zinc/80/43/21/568804321.db2.gz	DTURHFVFBZTSDF-UHFFFAOYSA-N	0	0	406.834	2.243	50	5		HEBARN
CCOC(=O)c1sc2ncn3nc(Cn4cc([N+](=O)[O-])c(C)n4)nc3c2c1C	ZINC000002791625	568809819	/nfs/dbraw/zinc/80/98/19/568809819.db2.gz	IEALLBHQWGMEKS-UHFFFAOYSA-N	0	0	401.408	2.286	50	5		HEBARN
COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C	ZINC000002886065	568814405	/nfs/dbraw/zinc/81/44/05/568814405.db2.gz	SSMMEOCTQVCHBA-UHFFFAOYSA-N	0	0	407.448	2.479	50	5		HEBARN
O=[N+]([O-])c1c(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc2ccccn21	ZINC000029164666	568821224	/nfs/dbraw/zinc/82/12/24/568821224.db2.gz	CVZRTUNGJQEHNR-UHFFFAOYSA-N	0	0	421.866	2.407	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O	ZINC000003017740	568838050	/nfs/dbraw/zinc/83/80/50/568838050.db2.gz	SOEIHTSEKSPAIG-UHFFFAOYSA-N	0	0	421.431	2.211	50	5		HEBARN
C[C@@H](C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)N1C(=O)c2ccccc2C1=O	ZINC000003352121	568886009	/nfs/dbraw/zinc/88/60/09/568886009.db2.gz	HAZZQXIPVIKPLT-NSHDSACASA-N	0	0	412.354	2.189	50	5		HEBARN
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)Cn1cc([N+](=O)[O-])nc1C	ZINC000058169314	568894345	/nfs/dbraw/zinc/89/43/45/568894345.db2.gz	GEKXZOPZHQPBNF-UHFFFAOYSA-N	0	0	413.356	2.394	50	5		HEBARN
COc1ccc(NC(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c([N+](=O)[O-])c1	ZINC000012660774	568906985	/nfs/dbraw/zinc/90/69/85/568906985.db2.gz	RVXXQUAQHFQWKG-NRFANRHFSA-N	0	0	424.413	2.326	50	5		HEBARN
Cc1c(F)cc(C(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)cc1[N+](=O)[O-]	ZINC000058413096	568916874	/nfs/dbraw/zinc/91/68/74/568916874.db2.gz	LJRZQEFCLFJGGK-UHFFFAOYSA-N	0	0	416.457	2.318	50	5		HEBARN
Cc1cccn2c1nc1c(cc(C(=O)N3CCCCC3)c(=N)n1C[C@H]1CCCO1)c2=O	ZINC000100627396	569009733	/nfs/dbraw/zinc/00/97/33/569009733.db2.gz	RXUKCZLZYJAIKS-MRXNPFEDSA-N	0	0	421.501	2.242	50	5		HEBARN
COCCn1c(=N)c(C(=O)N[C@H](C)c2ccccc2)cc2c1nc1ccccn1c2=O	ZINC000100627932	569009745	/nfs/dbraw/zinc/00/97/45/569009745.db2.gz	LOCGOXYYGAUFBX-OAHLLOKOSA-N	0	0	417.469	2.266	50	5		HEBARN
CC[C@H](C)n1c(=N)c(C(=O)NCc2cccnc2)cc2c1nc1ccccn1c2=O	ZINC000100628119	569009773	/nfs/dbraw/zinc/00/97/73/569009773.db2.gz	XMHMNTODNCVQMP-AWEZNQCLSA-N	0	0	402.458	2.425	50	5		HEBARN
Cc1cc(C)c(NC(=O)CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c(C)c1	ZINC000012878283	569013889	/nfs/dbraw/zinc/01/38/89/569013889.db2.gz	DGQJMKAYRUWFIH-UHFFFAOYSA-N	0	0	408.418	2.469	50	5		HEBARN
CC(C)CNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3cnccn3)C[C@@H]12	ZINC000169677375	569125383	/nfs/dbraw/zinc/12/53/83/569125383.db2.gz	UMCJBWSMGSPRIT-MJGOQNOKSA-N	0	0	410.478	2.025	50	5		HEBARN
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21	ZINC000036398279	569171533	/nfs/dbraw/zinc/17/15/33/569171533.db2.gz	TUUYXAMPMYFGOM-KRWDZBQOSA-N	0	0	407.386	2.467	50	5		HEBARN
O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCC(C(=O)Nc2ccccc2)CC1	ZINC000007073440	569217726	/nfs/dbraw/zinc/21/77/26/569217726.db2.gz	OOBYPUMGQHAPPD-UHFFFAOYSA-N	0	0	410.430	2.202	50	5		HEBARN
O=C(COC(=O)CNC(=O)c1cccc(F)c1)Nc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000007564337	569250777	/nfs/dbraw/zinc/25/07/77/569250777.db2.gz	DFZSYBKZKGMTEL-UHFFFAOYSA-N	0	0	409.757	2.299	50	5		HEBARN
O=C(CSc1nnc(NC(=O)c2ccccc2[N+](=O)[O-])s1)NC[C@@H]1CCCO1	ZINC000008821967	569390371	/nfs/dbraw/zinc/39/03/71/569390371.db2.gz	QXWCEPMXPJPRIJ-JTQLQIEISA-N	0	0	423.476	2.086	50	5		HEBARN
COCCSc1nnc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])s1	ZINC000009971395	569394665	/nfs/dbraw/zinc/39/46/65/569394665.db2.gz	HHTHVECAWCHRTK-UHFFFAOYSA-N	0	0	400.438	2.454	50	5		HEBARN
CCCCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc([N+](=O)[O-])cc1	ZINC000002430477	569399200	/nfs/dbraw/zinc/39/92/00/569399200.db2.gz	ZYPLKMVPVBNCDA-UHFFFAOYSA-N	0	0	414.466	2.382	50	5		HEBARN
Cn1ccnc1[C@H](Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccccc1F	ZINC000012627320	569402241	/nfs/dbraw/zinc/40/22/41/569402241.db2.gz	MCXWWGUHTYDMIO-MRXNPFEDSA-N	0	0	405.411	2.316	50	5		HEBARN
Cc1c(C(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000078821886	569420694	/nfs/dbraw/zinc/42/06/94/569420694.db2.gz	SZQBQSTZVREVHO-KPZWWZAWSA-N	0	0	419.459	2.153	50	5		HEBARN
C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1	ZINC000008562437	571082049	/nfs/dbraw/zinc/08/20/49/571082049.db2.gz	XQNITGNSJNNOCE-OAHLLOKOSA-N	0	0	412.446	2.388	50	5		HEBARN
CC(C)COC(=O)CNS(=O)(=O)c1ccc(NCc2ccco2)c([N+](=O)[O-])c1	ZINC000008777163	571118072	/nfs/dbraw/zinc/11/80/72/571118072.db2.gz	LNNZQYPDIBUIPH-UHFFFAOYSA-N	0	0	411.436	2.277	50	5		HEBARN
O=[N+]([O-])c1ccc(Nc2cnn(C[C@H]3CCCO3)c2)c(S(=O)(=O)N2CCCC2)c1	ZINC000040139282	571189153	/nfs/dbraw/zinc/18/91/53/571189153.db2.gz	FQJJFXLNXRLMFT-MRXNPFEDSA-N	0	0	421.479	2.498	50	5		HEBARN
C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(S(N)(=O)=O)cc1	ZINC000009339042	571249619	/nfs/dbraw/zinc/24/96/19/571249619.db2.gz	SQIPLCUKMVBWBN-CYBMUJFWSA-N	0	0	418.475	2.333	50	5		HEBARN
COc1ccc(OC)c(Nc2nc(N)c([N+](=O)[O-])c(N3C[C@@H](C)O[C@H](C)C3)n2)c1	ZINC000009411392	571255826	/nfs/dbraw/zinc/25/58/26/571255826.db2.gz	BFHXDZLHHDYOMY-GHMZBOCLSA-N	0	0	404.427	2.341	50	5		HEBARN
O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CC(=O)N(Cc2ccco2)C1	ZINC000009491435	571262759	/nfs/dbraw/zinc/26/27/59/571262759.db2.gz	GAJLXBDSBADTJB-CYBMUJFWSA-N	0	0	412.358	2.330	50	5		HEBARN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1nnnn1-c1ccc(Cl)cc1	ZINC000009571209	571268982	/nfs/dbraw/zinc/26/89/82/571268982.db2.gz	AUBZIGNOVFTKHC-UHFFFAOYSA-N	0	0	408.827	2.011	50	5		HEBARN
Cc1cc(NC(=O)CSCC(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)no1	ZINC000009780810	571285137	/nfs/dbraw/zinc/28/51/37/571285137.db2.gz	NBYVNYHAFBQLLU-UHFFFAOYSA-N	0	0	423.403	2.173	50	5		HEBARN
COc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)c([N+](=O)[O-])c1	ZINC000010187041	571296046	/nfs/dbraw/zinc/29/60/46/571296046.db2.gz	NQTPRWMQJSUERK-CYBMUJFWSA-N	0	0	411.461	2.457	50	5		HEBARN
COc1ccccc1[C@H]1c2c(-c3cccc([N+](=O)[O-])c3)n[nH]c(=O)c2Nc2nnnn21	ZINC000010296489	571299632	/nfs/dbraw/zinc/29/96/32/571299632.db2.gz	LBMSIAWSMQTOGF-KRWDZBQOSA-N	0	0	418.373	2.447	50	5		HEBARN
O=[N+]([O-])c1c2nonc2c(N2CCN(c3ccccc3F)CC2)cc1NCCCO	ZINC000004686319	132282984	/nfs/dbraw/zinc/28/29/84/132282984.db2.gz	MIPVQFGBDHMNNY-UHFFFAOYSA-N	0	0	416.413	2.391	50	5		HEBARN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCc2ccccc2C1	ZINC000006045720	132309013	/nfs/dbraw/zinc/30/90/13/132309013.db2.gz	YYASEIAIVOVBSJ-UHFFFAOYSA-N	0	0	403.460	2.178	50	5		HEBARN
CC[C@H](C)N1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C1=O	ZINC000008997070	132334793	/nfs/dbraw/zinc/33/47/93/132334793.db2.gz	FTULSNBLRBFGCO-KRYHZZBUSA-N	0	0	400.435	2.373	50	5		HEBARN
COC(=O)c1ccccc1C(=O)c1ccc(N[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000032905399	522256960	/nfs/dbraw/zinc/25/69/60/522256960.db2.gz	VZCWMFKAJKDXKP-CYBMUJFWSA-N	0	0	418.427	2.211	50	5		HEBARN
Cc1ccc([C@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N2CCOCC2)o1	ZINC000032853489	525961922	/nfs/dbraw/zinc/96/19/22/525961922.db2.gz	CDIRGRQWRZDKAB-KRWDZBQOSA-N	0	0	409.464	2.385	50	5		HEBARN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000019858249	526087382	/nfs/dbraw/zinc/08/73/82/526087382.db2.gz	SYDQBDZGFMRTOY-UHFFFAOYSA-N	0	0	419.459	2.138	50	5		HEBARN
O=C(COC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)Nc1ccc(F)c([N+](=O)[O-])c1	ZINC000032922214	526909887	/nfs/dbraw/zinc/90/98/87/526909887.db2.gz	MOYYSKNPIVXHGR-ZDUSSCGKSA-N	0	0	422.413	2.143	50	5		HEBARN
CCCN1C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)NC1=S	ZINC000009122835	535346615	/nfs/dbraw/zinc/34/66/15/535346615.db2.gz	AIXQXEUJEZHUCT-BEFAXECRSA-N	0	0	402.476	2.150	50	5		HEBARN
COc1ccccc1N1C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@H]2CS(=O)(=O)C[C@@H]21	ZINC000004393622	558486022	/nfs/dbraw/zinc/48/60/22/558486022.db2.gz	SFBXONOUYYIQBC-HOTGVXAUSA-N	0	0	403.416	2.216	50	5		HEBARN
O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1	ZINC000004497626	558611658	/nfs/dbraw/zinc/61/16/58/558611658.db2.gz	MMABRUWLBDXZOZ-VOGXCRAGSA-N	0	0	409.398	2.301	50	5		HEBARN
COc1ccccc1OCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000014894460	558678184	/nfs/dbraw/zinc/67/81/84/558678184.db2.gz	AEIYCWAMXKDNKQ-UHFFFAOYSA-N	0	0	401.419	2.249	50	5		HEBARN
O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C(=O)c2cccs2)C1	ZINC000023018469	558864986	/nfs/dbraw/zinc/86/49/86/558864986.db2.gz	VLVIIHPCWGDAIB-HOCLYGCPSA-N	0	0	403.460	2.358	50	5		HEBARN
O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(N[C@H]2CCCCNC2=O)c([N+](=O)[O-])c1	ZINC000247347393	558999418	/nfs/dbraw/zinc/99/94/18/558999418.db2.gz	VCCBHTUWNVRCPQ-FMKPAKJESA-N	0	0	400.435	2.355	50	5		HEBARN
C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1cccs1)N1CCN(C)CC1	ZINC000023181891	559031723	/nfs/dbraw/zinc/03/17/23/559031723.db2.gz	LKACAHQFTOBJDC-KSSFIOAISA-N	0	0	424.548	2.312	50	5		HEBARN
C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1cccs1)N1CCOCC1	ZINC000023181855	559031726	/nfs/dbraw/zinc/03/17/26/559031726.db2.gz	OPCAHCFFZFPZLQ-SUMWQHHRSA-N	0	0	411.505	2.397	50	5		HEBARN
Cc1sc2ncn(CCC(=O)NC[C@H](O)c3ccc([N+](=O)[O-])cc3)c(=O)c2c1C	ZINC000014199225	559156410	/nfs/dbraw/zinc/15/64/10/559156410.db2.gz	OCPYZLUONOSTPE-HNNXBMFYSA-N	0	0	416.459	2.223	50	5		HEBARN
C[C@H](NC(=O)COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1	ZINC000004839507	559167097	/nfs/dbraw/zinc/16/70/97/559167097.db2.gz	LGSSUIJBORFODF-HNNXBMFYSA-N	0	0	413.430	2.466	50	5		HEBARN
C[C@@H](NC(=O)[C@H](C)OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccccc1	ZINC000011672859	559171655	/nfs/dbraw/zinc/17/16/55/559171655.db2.gz	QPIFLSABHIZKMO-OLZOCXBDSA-N	0	0	420.443	2.421	50	5		HEBARN
CCCn1c(=N)c(C(=O)NCc2cccnc2)cc2c1nc1ccc(C)cn1c2=O	ZINC000100627795	559245489	/nfs/dbraw/zinc/24/54/89/559245489.db2.gz	ADQUPDSNWGAJFP-UHFFFAOYSA-N	0	0	402.458	2.172	50	5		HEBARN
CCN(CC)S(=O)(=O)c1ccc(NC[C@H](CO)Cc2ccco2)c([N+](=O)[O-])c1	ZINC000024205826	559277552	/nfs/dbraw/zinc/27/75/52/559277552.db2.gz	OXMQUOXEFVUGJC-CQSZACIVSA-N	0	0	411.480	2.481	50	5		HEBARN
C[C@H]1CC(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2S1(=O)=O	ZINC000017244161	560705318	/nfs/dbraw/zinc/70/53/18/560705318.db2.gz	CWMSCQCNKHXPMB-LBPRGKRZSA-N	0	0	403.416	2.132	50	5		HEBARN
COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3N3CCCN23)cc1	ZINC000101664970	560798097	/nfs/dbraw/zinc/79/80/97/560798097.db2.gz	HNHULONBMOKPMS-GUDVDZBRSA-N	0	0	408.414	2.139	50	5		HEBARN
Cc1ccc(S(=O)(=O)N2C[C@H](c3cccc([N+](=O)[O-])c3)C(C(=O)[C@H]3CO3)=N2)cc1	ZINC000102697511	560820122	/nfs/dbraw/zinc/82/01/22/560820122.db2.gz	KLKDJCSOJQMCRI-IAGOWNOFSA-N	0	0	415.427	2.015	50	5		HEBARN
CCCCN(C)S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1	ZINC000046799238	560878301	/nfs/dbraw/zinc/87/83/01/560878301.db2.gz	XOAIIQBYQWZLEQ-UHFFFAOYSA-N	0	0	407.496	2.242	50	5		HEBARN
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NC[C@H]1CCCO1	ZINC000000839674	568501926	/nfs/dbraw/zinc/50/19/26/568501926.db2.gz	DPSXYTNWPKASEJ-QGZVFWFLSA-N	0	0	419.459	2.085	50	5		HEBARN
CC(C)CC(=O)N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC1	ZINC000095451475	568614727	/nfs/dbraw/zinc/61/47/27/568614727.db2.gz	RDEMVENDOTZYHE-UHFFFAOYSA-N	0	0	409.508	2.446	50	5		HEBARN
CCCCn1c2nc(CN3CCc4cc(C)c([N+](=O)[O-])cc43)n(C)c2c(=O)[nH]c1=O	ZINC000095459857	568620048	/nfs/dbraw/zinc/62/00/48/568620048.db2.gz	BVRIPLQQYSQSSY-UHFFFAOYSA-N	0	0	412.450	2.003	50	5		HEBARN
O=C(c1ccc(N2CCN(CCO)CC2)c([N+](=O)[O-])c1)N1CCCc2ccccc21	ZINC000020638688	568638592	/nfs/dbraw/zinc/63/85/92/568638592.db2.gz	UFQTUFAPZHGCTB-UHFFFAOYSA-N	0	0	410.474	2.302	50	5		HEBARN
C[C@@H]1CCC[C@H](C)N1C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000020857193	568644537	/nfs/dbraw/zinc/64/45/37/568644537.db2.gz	LJEYMQNAZGXVJX-GASCZTMLSA-N	0	0	405.451	2.378	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1N1C(=S)N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]21	ZINC000012421647	568720914	/nfs/dbraw/zinc/72/09/14/568720914.db2.gz	UQOVSKOAXRVIDU-HZPDHXFCSA-N	0	0	419.484	2.381	50	5		HEBARN
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nn2cnnc2)cc1[N+](=O)[O-]	ZINC000001109633	568768671	/nfs/dbraw/zinc/76/86/71/568768671.db2.gz	FLAIHVZFTXAQFR-UHFFFAOYSA-N	0	0	405.374	2.432	50	5		HEBARN
CCOC(=O)c1ccc(NC(=O)CCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1	ZINC000001124318	568771403	/nfs/dbraw/zinc/77/14/03/568771403.db2.gz	WLIBYWZOCYMCHG-UHFFFAOYSA-N	0	0	411.370	2.396	50	5		HEBARN
COc1ccc(OC)c(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	ZINC000001137174	568773472	/nfs/dbraw/zinc/77/34/72/568773472.db2.gz	DJHHTOIJTPNNKL-UHFFFAOYSA-N	0	0	409.420	2.017	50	5		HEBARN
COc1ccc(C(=O)COC(=O)[C@@H](C)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	ZINC000001138059	568773507	/nfs/dbraw/zinc/77/35/07/568773507.db2.gz	HCCTUMVTDMCJOJ-LLVKDONJSA-N	0	0	412.354	2.014	50	5		HEBARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1ccccc1	ZINC000002494473	568776358	/nfs/dbraw/zinc/77/63/58/568776358.db2.gz	NYPBGFDVUKEYGP-CLCOLTQESA-N	0	0	402.410	2.104	50	5		HEBARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1ccccc1F	ZINC000002494485	568776413	/nfs/dbraw/zinc/77/64/13/568776413.db2.gz	WWIYWFZFJOMXDV-PLRJNAJWSA-N	0	0	420.400	2.243	50	5		HEBARN
CC[C@@]1(c2cnn(C)c2)NC(=O)N(Cc2ccc(Br)c([N+](=O)[O-])c2)C1=O	ZINC000225749748	568780601	/nfs/dbraw/zinc/78/06/01/568780601.db2.gz	NGVPVQUEOBCOKZ-INIZCTEOSA-N	0	0	422.239	2.448	50	5		HEBARN
Cc1nn(CCCNC(=O)CCn2cc(Cl)c([N+](=O)[O-])n2)cc1Br	ZINC000002731041	568804355	/nfs/dbraw/zinc/80/43/55/568804355.db2.gz	FGMFTUIKRAKHMP-UHFFFAOYSA-N	0	0	419.667	2.309	50	5		HEBARN
COC(=O)c1ccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1	ZINC000002845105	568812926	/nfs/dbraw/zinc/81/29/26/568812926.db2.gz	QUMYRPYPCYOMLX-UHFFFAOYSA-N	0	0	421.431	2.095	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NC(C(C)C)C(C)C)S(C)(=O)=O	ZINC000002881088	568814201	/nfs/dbraw/zinc/81/42/01/568814201.db2.gz	OCXCJXYPVWPUOP-UHFFFAOYSA-N	0	0	401.485	2.166	50	5		HEBARN
CCCN1C(=S)N[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)N2CCOCC2)=C1C	ZINC000005938047	568831155	/nfs/dbraw/zinc/83/11/55/568831155.db2.gz	IIBMJVXFBTTWTI-QGZVFWFLSA-N	0	0	404.492	2.369	50	5		HEBARN
CCOC(=O)CSc1ccc(C(=O)N2CCC3(CC2)OCCO3)cc1[N+](=O)[O-]	ZINC000003020325	568840186	/nfs/dbraw/zinc/84/01/86/568840186.db2.gz	QZWDWVGQJUJYRK-UHFFFAOYSA-N	0	0	410.448	2.229	50	5		HEBARN
CCOC(=O)CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCC[C@H]2C)cc1[N+](=O)[O-]	ZINC000003024739	568841013	/nfs/dbraw/zinc/84/10/13/568841013.db2.gz	KYAMYKUPOHOPCH-OCCSQVGLSA-N	0	0	412.464	2.240	50	5		HEBARN
Cn1ccnc1[C@@H](Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccc(F)cc1	ZINC000012581725	568864471	/nfs/dbraw/zinc/86/44/71/568864471.db2.gz	LDRXVLBSIVDRPN-INIZCTEOSA-N	0	0	405.411	2.316	50	5		HEBARN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1SC[C@@H](O)c1ccccc1	ZINC000058046491	568880302	/nfs/dbraw/zinc/88/03/02/568880302.db2.gz	NOZSRMROSUHAHN-QGZVFWFLSA-N	0	0	424.500	2.441	50	5		HEBARN
C[C@@H](OC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)Nc1ccccc1	ZINC000003403756	568896998	/nfs/dbraw/zinc/89/69/98/568896998.db2.gz	VARQLRKBGFKRJA-GFCCVEGCSA-N	0	0	411.370	2.151	50	5		HEBARN
O=C(/C=C/c1ccc(O)cc1)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000058438743	568918613	/nfs/dbraw/zinc/91/86/13/568918613.db2.gz	DERMDUXPASJRQN-XCVCLJGOSA-N	0	0	411.414	2.206	50	5		HEBARN
COc1cccc(-c2cc(C(F)(F)F)nc(-n3cc([N+](=O)[O-])c(C(N)=O)n3)n2)c1	ZINC000004176415	568948144	/nfs/dbraw/zinc/94/81/44/568948144.db2.gz	MMLODNHBWSDJFG-UHFFFAOYSA-N	0	0	408.296	2.364	50	5		HEBARN
NC(=O)c1ccccc1OCCC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000084497870	568949563	/nfs/dbraw/zinc/94/95/63/568949563.db2.gz	HXKFSGDBBMOGHR-UHFFFAOYSA-N	0	0	421.793	2.298	50	5		HEBARN
Cc1cc(OC(=O)c2ccccc2I)c([N+](=O)[O-])c(=O)[nH]1	ZINC000004248366	568954106	/nfs/dbraw/zinc/95/41/06/568954106.db2.gz	SVPHOWHIOZSXCZ-UHFFFAOYSA-N	0	0	400.128	2.415	50	5		HEBARN
O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000016206976	569029805	/nfs/dbraw/zinc/02/98/05/569029805.db2.gz	QGXOYLQMPMIKPT-UHFFFAOYSA-N	0	0	404.722	2.391	50	5		HEBARN
CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12	ZINC000006262475	569036035	/nfs/dbraw/zinc/03/60/35/569036035.db2.gz	NBKPSVBOLWSLHR-FCGDIQPGSA-N	0	0	404.382	2.062	50	5		HEBARN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccc2c(c1)OCO2	ZINC000013020998	569051167	/nfs/dbraw/zinc/05/11/67/569051167.db2.gz	MYKYVNZKRUMUJW-UHFFFAOYSA-N	0	0	408.388	2.137	50	5		HEBARN
CC(=O)N1N=C(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)O[C@@H]1c1ccc2c(c1)OCO2	ZINC000064819826	569102318	/nfs/dbraw/zinc/10/23/18/569102318.db2.gz	MVROVIOVSRODOC-QGZVFWFLSA-N	0	0	400.303	2.471	50	5		HEBARN
COc1ccc(CCNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cc1	ZINC000036226975	569113898	/nfs/dbraw/zinc/11/38/98/569113898.db2.gz	BNWVEMHPTBTBJQ-UHFFFAOYSA-N	0	0	421.475	2.279	50	5		HEBARN
Cc1nn(C(F)F)c(C)c1S(=O)(=O)NCCCn1cc(Cl)c([N+](=O)[O-])n1	ZINC000036615159	569206952	/nfs/dbraw/zinc/20/69/52/569206952.db2.gz	ARNPNMGMKFNEOQ-UHFFFAOYSA-N	0	0	412.806	2.022	50	5		HEBARN
O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NCCN1C(=O)CSC1=O	ZINC000009883883	569251564	/nfs/dbraw/zinc/25/15/64/569251564.db2.gz	YUCFHHOHJWWHQY-UHFFFAOYSA-N	0	0	412.474	2.108	50	5		HEBARN
CCN1C(=O)[C@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3N=Cc4ccccc4[C@H]3[C@H]2C1=O	ZINC000249694288	569255299	/nfs/dbraw/zinc/25/52/99/569255299.db2.gz	OUFAZERCQOPLKE-ZSYWTGECSA-N	0	0	418.409	2.172	50	5		HEBARN
O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000007871849	569314902	/nfs/dbraw/zinc/31/49/02/569314902.db2.gz	IKVQDLJSJGHEOY-UHFFFAOYSA-N	0	0	409.851	2.395	50	5		HEBARN
O=c1/c(=C/c2ccccc2[N+](=O)[O-])sc2nc([C@H]3COc4ccccc4O3)nn12	ZINC000013031130	569407532	/nfs/dbraw/zinc/40/75/32/569407532.db2.gz	DTFDUCAYCHDZSA-AVIKPIRVSA-N	0	0	408.395	2.119	50	5		HEBARN
CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C3c1ccc(Br)cc1	ZINC000019320474	569417349	/nfs/dbraw/zinc/41/73/49/569417349.db2.gz	BEMNZDZTSNBBSZ-UHFFFAOYSA-N	0	0	411.256	2.150	50	5		HEBARN
COc1cccc(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1OC	ZINC000019851080	569431063	/nfs/dbraw/zinc/43/10/63/569431063.db2.gz	NTAKALTVPWHVQG-UHFFFAOYSA-N	0	0	421.475	2.119	50	5		HEBARN
CCOc1ccc(C(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-]	ZINC000040059624	571146639	/nfs/dbraw/zinc/14/66/39/571146639.db2.gz	KIAMUHUPAYVYEV-CYBMUJFWSA-N	0	0	408.436	2.110	50	5		HEBARN
O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCc1cccc(NC(=O)c2ccco2)c1	ZINC000040087346	571157828	/nfs/dbraw/zinc/15/78/28/571157828.db2.gz	WCXCBVXJBIECLN-UHFFFAOYSA-N	0	0	422.397	2.486	50	5		HEBARN
COc1ccc(-c2nc(CN3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC3)cs2)cc1	ZINC000040115510	571173380	/nfs/dbraw/zinc/17/33/80/571173380.db2.gz	XJQKLSQTYIJUSU-IAGOWNOFSA-N	0	0	402.476	2.128	50	5		HEBARN
COC(=O)c1cn([C@H]2CCCC[C@H]2NC(=O)CCNc2ccccc2[N+](=O)[O-])nn1	ZINC000040152499	571200005	/nfs/dbraw/zinc/20/00/05/571200005.db2.gz	FFRUZYFDYVYAKP-ZBFHGGJFSA-N	0	0	416.438	2.075	50	5		HEBARN
CN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@@H](c4ccccc4)C[C@H]32)C1=O	ZINC000245325959	571224618	/nfs/dbraw/zinc/22/46/18/571224618.db2.gz	IGIWMSQJNVGVPB-LZFQIVBZSA-N	0	0	420.425	2.208	50	5		HEBARN
CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1Cn1nc(C)c([N+](=O)[O-])c1C	ZINC000009130012	571227471	/nfs/dbraw/zinc/22/74/71/571227471.db2.gz	OGHOCVMRXDYJHE-UHFFFAOYSA-N	0	0	406.468	2.076	50	5		HEBARN
O=c1[nH]nc(-c2ccc([N+](=O)[O-])cc2)c2c1Nc1nnnn1[C@H]2c1cccc(O)c1	ZINC000010296411	571299553	/nfs/dbraw/zinc/29/95/53/571299553.db2.gz	CDOWBHQHMKLAMN-INIZCTEOSA-N	0	0	404.346	2.144	50	5		HEBARN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(-c2ccc(=O)n(C)n2)c1	ZINC000010324782	571300393	/nfs/dbraw/zinc/30/03/93/571300393.db2.gz	JQPDVSQNSOOCNA-UHFFFAOYSA-N	0	0	400.416	2.465	50	5		HEBARN
COc1ccccc1N1C(=O)C[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O	ZINC000003878542	132269015	/nfs/dbraw/zinc/26/90/15/132269015.db2.gz	SGJXIYTUANEXGE-GOSISDBHSA-N	0	0	410.430	2.058	50	5		HEBARN
COc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1OC	ZINC000004193015	132272921	/nfs/dbraw/zinc/27/29/21/132272921.db2.gz	NTMIEVMPJOAMLP-UHFFFAOYSA-N	0	0	407.448	2.123	50	5		HEBARN
O=[N+]([O-])c1c2nonc2c(N2CCN(c3ccc(F)cc3)CC2)cc1NCCO	ZINC000004193980	132273113	/nfs/dbraw/zinc/27/31/13/132273113.db2.gz	WXDOBNYJOVRMMX-UHFFFAOYSA-N	0	0	402.386	2.001	50	5		HEBARN
COc1cccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1	ZINC000004663132	132281510	/nfs/dbraw/zinc/28/15/10/132281510.db2.gz	SKXSFSXFYGDBQH-UHFFFAOYSA-N	0	0	400.460	2.440	50	5		HEBARN
CC(C)CNC(=O)NC(=O)COC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1	ZINC000010210100	132345469	/nfs/dbraw/zinc/34/54/69/132345469.db2.gz	LHTRAWVDHGTKRQ-UHFFFAOYSA-N	0	0	420.466	2.470	50	5		HEBARN
COC(=O)c1ccc(Cn2cnc3c(cnn3-c3ccccc3[N+](=O)[O-])c2=O)cc1	ZINC000032782631	522062860	/nfs/dbraw/zinc/06/28/60/522062860.db2.gz	VPEAGFFFKXPNRM-UHFFFAOYSA-N	0	0	405.370	2.325	50	5		HEBARN
O=C(c1cccc(Cn2cc([N+](=O)[O-])cn2)c1)N1NC(C(F)F)=C[C@@]1(O)C(F)F	ZINC000008455647	557791526	/nfs/dbraw/zinc/79/15/26/557791526.db2.gz	AQRKSBZZGMZPCJ-MRXNPFEDSA-N	0	0	415.303	2.260	50	5		HEBARN
CC(C)N1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C1=O	ZINC000229887134	558262903	/nfs/dbraw/zinc/26/29/03/558262903.db2.gz	XTCLYUDAUYPXRY-JXFKEZNVSA-N	0	0	400.435	2.373	50	5		HEBARN
O=[N+]([O-])c1ccc(CN2CCc3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1	ZINC000015401365	558737917	/nfs/dbraw/zinc/73/79/17/558737917.db2.gz	JTSBKBYLOCMWKG-UHFFFAOYSA-N	0	0	403.460	2.178	50	5		HEBARN
O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC(n2c(=O)[nH]c3ccccc32)CC1	ZINC000015480030	558740985	/nfs/dbraw/zinc/74/09/85/558740985.db2.gz	XEYXEXPVXKZZPH-UHFFFAOYSA-N	0	0	410.386	2.444	50	5		HEBARN
C[C@H]1CCCCN1C(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-]	ZINC000004579920	558762334	/nfs/dbraw/zinc/76/23/34/558762334.db2.gz	WLFJPTCSVLAJHQ-AWEZNQCLSA-N	0	0	411.480	2.159	50	5		HEBARN
CC[C@@H](Sc1nc(N)cc(=O)[nH]1)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1	ZINC000013945123	558985035	/nfs/dbraw/zinc/98/50/35/558985035.db2.gz	QMPLOEWESAKXRQ-SECBINFHSA-N	0	0	406.449	2.379	50	5		HEBARN
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@@H](C)C(=O)N(C)C1CCCCC1	ZINC000023055038	558994523	/nfs/dbraw/zinc/99/45/23/558994523.db2.gz	ZGZYNHNXYNPUPN-KGLIPLIRSA-N	0	0	405.451	2.436	50	5		HEBARN
O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1	ZINC000023108125	559010887	/nfs/dbraw/zinc/01/08/87/559010887.db2.gz	XMAVTLMXOZNKTD-KRWDZBQOSA-N	0	0	409.439	2.086	50	5		HEBARN
O=C(c1c(F)cccc1F)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000004730849	559023138	/nfs/dbraw/zinc/02/31/38/559023138.db2.gz	QVSMOCVDXOPBIA-UHFFFAOYSA-N	0	0	411.386	2.020	50	5		HEBARN
Cc1cccc(C(=O)OCC(=O)NCCc2ccc3c(c2)OCCO3)c1[N+](=O)[O-]	ZINC000011502885	559078798	/nfs/dbraw/zinc/07/87/98/559078798.db2.gz	XSRDMFHHPBRCSQ-UHFFFAOYSA-N	0	0	400.387	2.190	50	5		HEBARN
O=C(c1ccccc1Cl)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000004993690	559225158	/nfs/dbraw/zinc/22/51/58/559225158.db2.gz	SNXWWIQKDIMHLW-UHFFFAOYSA-N	0	0	409.851	2.395	50	5		HEBARN
CCNC(=O)c1cc2c(nc3ccc(C)cn3c2=O)n(CCc2ccccc2)c1=N	ZINC000100627191	559245493	/nfs/dbraw/zinc/24/54/93/559245493.db2.gz	JYECOIOQIRSLST-UHFFFAOYSA-N	0	0	401.470	2.429	50	5		HEBARN
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCCOc1cccc(Cl)c1	ZINC000007979874	560596375	/nfs/dbraw/zinc/59/63/75/560596375.db2.gz	UKLYXYCPUMLKCV-UHFFFAOYSA-N	0	0	404.762	2.466	50	5		HEBARN
Cc1ccc(S(=O)(=O)N(CCN2CCOCC2)c2ccccc2)cc1[N+](=O)[O-]	ZINC000062580287	560631433	/nfs/dbraw/zinc/63/14/33/560631433.db2.gz	OLYUXMUXNDQNNJ-UHFFFAOYSA-N	0	0	405.476	2.431	50	5		HEBARN
COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]23)cc1OC	ZINC000100880683	560761974	/nfs/dbraw/zinc/76/19/74/560761974.db2.gz	YJXOSFDDGICVCQ-AEFFLSMTSA-N	0	0	411.370	2.213	50	5		HEBARN
CCCCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(Cc2ccncc2)c1=N	ZINC000101112138	560786705	/nfs/dbraw/zinc/78/67/05/560786705.db2.gz	PPNHVIXAOOLGLO-UHFFFAOYSA-N	0	0	416.485	2.410	50	5	aggregator	HEBARN
CCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(Cc2ccc(F)cc2)c1=N	ZINC000101165048	560787239	/nfs/dbraw/zinc/78/72/39/560787239.db2.gz	LWRHTMZWJNGCIT-UHFFFAOYSA-N	0	0	405.433	2.374	50	5		HEBARN
COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]23)cc1OC	ZINC000101362108	560792771	/nfs/dbraw/zinc/79/27/71/560792771.db2.gz	YJXOSFDDGICVCQ-WMZOPIPTSA-N	0	0	411.370	2.213	50	5		HEBARN
C[C@@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000005709984	560804983	/nfs/dbraw/zinc/80/49/83/560804983.db2.gz	WJBMFFPCMYBTQG-CYBMUJFWSA-N	0	0	414.418	2.198	50	5		HEBARN
Cn1c(=O)c2c(n(C)c1=O)N=C1c3ccccc3C(=O)[C@H]1[C@@H]2c1ccccc1[N+](=O)[O-]	ZINC000000649637	568456749	/nfs/dbraw/zinc/45/67/49/568456749.db2.gz	PHSRBMIRXRLMSD-HOTGVXAUSA-N	0	0	416.393	2.071	50	5		HEBARN
COC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(S1)SC(C(=O)OC)=C(C)N2C	ZINC000020442355	568607742	/nfs/dbraw/zinc/60/77/42/568607742.db2.gz	OQLYXYJFMWNQAW-MRXNPFEDSA-N	0	0	424.460	2.329	50	5		HEBARN
CCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000096280288	568717499	/nfs/dbraw/zinc/71/74/99/568717499.db2.gz	ZWVGCYVUWIYCHP-LJQANCHMSA-N	0	0	402.495	2.438	50	5		HEBARN
Cc1ccc2c(c1)c(=O)n(-c1cccc([N+](=O)[O-])c1)c(=O)n2CC(=O)NCC(C)C	ZINC000096318075	568727181	/nfs/dbraw/zinc/72/71/81/568727181.db2.gz	KNLWLCNKXDOOEX-UHFFFAOYSA-N	0	0	410.430	2.141	50	5		HEBARN
CCOC(=O)CCC[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1[nH]c(=O)[nH]c1C	ZINC000096593766	568763434	/nfs/dbraw/zinc/76/34/34/568763434.db2.gz	PVFZRTUMSVDQOH-CQSZACIVSA-N	0	0	419.390	2.061	50	5		HEBARN
C[C@@H](NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)c1ccccc1	ZINC000022087602	568764801	/nfs/dbraw/zinc/76/48/01/568764801.db2.gz	SXGMNXLEFRLGCJ-KGLIPLIRSA-N	0	0	401.419	2.422	50	5		HEBARN
COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000001107023	568768603	/nfs/dbraw/zinc/76/86/03/568768603.db2.gz	IBNOOPHBGJGULH-ZROIWOOFSA-N	0	0	401.400	2.428	50	5		HEBARN
CCCN1C(=O)N(C)C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C1=O	ZINC000230038631	568803408	/nfs/dbraw/zinc/80/34/08/568803408.db2.gz	VNWBFPSBFQSRSG-OXJNMPFZSA-N	0	0	400.435	2.327	50	5		HEBARN
CCn1cc(Br)c(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1	ZINC000002804293	568811620	/nfs/dbraw/zinc/81/16/20/568811620.db2.gz	QGFXQQMWZVKEPR-UHFFFAOYSA-N	0	0	403.258	2.394	50	5		HEBARN
O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000029847412	568837942	/nfs/dbraw/zinc/83/79/42/568837942.db2.gz	YGEMFJXCBATRDE-AWEZNQCLSA-N	0	0	405.432	2.188	50	5		HEBARN
CCOC(=O)CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2C)cc1[N+](=O)[O-]	ZINC000003024741	568841126	/nfs/dbraw/zinc/84/11/26/568841126.db2.gz	KYAMYKUPOHOPCH-TZMCWYRMSA-N	0	0	412.464	2.240	50	5		HEBARN
Cn1ccnc1[C@H](Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccc(F)cc1	ZINC000012581731	568864443	/nfs/dbraw/zinc/86/44/43/568864443.db2.gz	LDRXVLBSIVDRPN-MRXNPFEDSA-N	0	0	405.411	2.316	50	5		HEBARN
O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)Nc1ccc(F)c([N+](=O)[O-])c1	ZINC000003320607	568880294	/nfs/dbraw/zinc/88/02/94/568880294.db2.gz	XWRBXVOBDUMFQO-UHFFFAOYSA-N	0	0	408.349	2.268	50	5		HEBARN
Cc1ccc(C(=O)NCC(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)s1	ZINC000003350281	568885260	/nfs/dbraw/zinc/88/52/60/568885260.db2.gz	ZGDRTQUBWALDIC-UHFFFAOYSA-N	0	0	402.388	2.488	50	5		HEBARN
C[C@H](C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)N1C(=O)c2ccccc2C1=O	ZINC000003352122	568886047	/nfs/dbraw/zinc/88/60/47/568886047.db2.gz	HAZZQXIPVIKPLT-LLVKDONJSA-N	0	0	412.354	2.189	50	5		HEBARN
O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	ZINC000058137722	568890246	/nfs/dbraw/zinc/89/02/46/568890246.db2.gz	ADSZCZUXVGQXKR-HNNXBMFYSA-N	0	0	421.450	2.451	50	5		HEBARN
O=C(Nc1cccc(N2CCOC2=O)c1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC000058158731	568892708	/nfs/dbraw/zinc/89/27/08/568892708.db2.gz	BWXTTWHTAXUCHI-UHFFFAOYSA-N	0	0	412.406	2.301	50	5		HEBARN
CCOc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c2=O)cc1	ZINC000004033802	568935142	/nfs/dbraw/zinc/93/51/42/568935142.db2.gz	TZNRTGMGCIORPP-UHFFFAOYSA-N	0	0	414.349	2.224	50	5		HEBARN
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000008379626	568995680	/nfs/dbraw/zinc/99/56/80/568995680.db2.gz	AYVMKXQPDXMJPN-DHZHZOJOSA-N	0	0	401.444	2.141	50	5		HEBARN
C[C@H](NC(=O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc2c(c1)OCO2	ZINC000016564991	569059161	/nfs/dbraw/zinc/05/91/61/569059161.db2.gz	ACWIFZGIVOMPRT-HNNXBMFYSA-N	0	0	412.446	2.323	50	5		HEBARN
COc1ccc(CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cc1	ZINC000006624961	569075775	/nfs/dbraw/zinc/07/57/75/569075775.db2.gz	NAWGFUAFNYVQMC-UHFFFAOYSA-N	0	0	407.448	2.236	50	5		HEBARN
CCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1	ZINC000036255903	569120215	/nfs/dbraw/zinc/12/02/15/569120215.db2.gz	MOOAGCQQBHPXLZ-LJQANCHMSA-N	0	0	402.495	2.356	50	5		HEBARN
COc1ccc2oc(=O)cc(CN3CCN(C(=O)c4ccc([N+](=O)[O-])o4)CC3)c2c1	ZINC000065322101	569224417	/nfs/dbraw/zinc/22/44/17/569224417.db2.gz	GKHGKAPPFPQQCR-UHFFFAOYSA-N	0	0	413.386	2.261	50	5		HEBARN
O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1	ZINC000009884207	569251600	/nfs/dbraw/zinc/25/16/00/569251600.db2.gz	SCXWOHNDHXEQBF-UHFFFAOYSA-N	0	0	415.880	2.456	50	5		HEBARN
CCN1C(=O)[C@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3N=Cc4ccccc4[C@@H]3[C@H]2C1=O	ZINC000249680932	569255331	/nfs/dbraw/zinc/25/53/31/569255331.db2.gz	AYYWAUVPDVVMLV-WJFTUGDTSA-N	0	0	418.409	2.172	50	5		HEBARN
O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1	ZINC000016753457	569262357	/nfs/dbraw/zinc/26/23/57/569262357.db2.gz	SLWOFWJMWJSQFM-INIZCTEOSA-N	0	0	422.434	2.329	50	5		HEBARN
COC(=O)c1ccc(NC(=O)c2cccn(OCc3cccc([N+](=O)[O-])c3)c2=O)cc1	ZINC000016942274	569267873	/nfs/dbraw/zinc/26/78/73/569267873.db2.gz	KTYQPKZCHZVENB-UHFFFAOYSA-N	0	0	423.381	2.424	50	5		HEBARN
CCn1c(=O)c2c(ncn2Cc2cccc([N+](=O)[O-])c2)n(-c2cccc(F)c2)c1=O	ZINC000037558369	569306617	/nfs/dbraw/zinc/30/66/17/569306617.db2.gz	PVYYJECGBKYMKB-UHFFFAOYSA-N	0	0	409.377	2.464	50	5		HEBARN
COCCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000002249251	569324534	/nfs/dbraw/zinc/32/45/34/569324534.db2.gz	MCLWAGRRMDJQST-NHYWBVRUSA-N	0	0	405.432	2.433	50	5		HEBARN
CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(C)=O)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000011666921	569398844	/nfs/dbraw/zinc/39/88/44/569398844.db2.gz	GQUYBYKFVBKSCP-UHFFFAOYSA-N	0	0	422.375	2.253	50	5		HEBARN
COCCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1	ZINC000012988347	569406048	/nfs/dbraw/zinc/40/60/48/569406048.db2.gz	PTYVECKTVAYLNG-ZDUSSCGKSA-N	0	0	408.432	2.438	50	5		HEBARN
O=C1C[C@@H](CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CN1CCc1ccccc1	ZINC000079099846	569427338	/nfs/dbraw/zinc/42/73/38/569427338.db2.gz	QLESZECVGPMBNE-SFHVURJKSA-N	0	0	417.487	2.105	50	5		HEBARN
O=C1C[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1CCc1ccccc1	ZINC000019797514	569429851	/nfs/dbraw/zinc/42/98/51/569429851.db2.gz	BQAZEMVQVGJNLA-FQEVSTJZSA-N	0	0	408.458	2.087	50	5		HEBARN
COc1cc(COC(=O)c2c(C)c(C)nn(C)c2=O)c([N+](=O)[O-])cc1OC(F)F	ZINC000040050917	571144748	/nfs/dbraw/zinc/14/47/48/571144748.db2.gz	WDAXNVFFFRGGAC-UHFFFAOYSA-N	0	0	413.333	2.272	50	5		HEBARN
Cc1ccc(CN(C(=O)COc2ccccc2[N+](=O)[O-])[C@H]2CCS(=O)(=O)C2)o1	ZINC000008916235	571151997	/nfs/dbraw/zinc/15/19/97/571151997.db2.gz	AAIKGZATIITXBI-AWEZNQCLSA-N	0	0	408.432	2.091	50	5		HEBARN
O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCCOc1cccc(Cl)c1	ZINC000040113654	571171539	/nfs/dbraw/zinc/17/15/39/571171539.db2.gz	VQPISFBHXVVZTH-UHFFFAOYSA-N	0	0	405.794	2.169	50	5		HEBARN
CS(=O)(=O)c1ccc(NCCNC(=O)C(F)(F)c2ccccc2)c([N+](=O)[O-])c1	ZINC000040115003	571172778	/nfs/dbraw/zinc/17/27/78/571172778.db2.gz	NSXZSRVBTRSDCC-UHFFFAOYSA-N	0	0	413.402	2.318	50	5		HEBARN
C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCOc2cccc([N+](=O)[O-])c2)C1=O	ZINC000040116372	571173976	/nfs/dbraw/zinc/17/39/76/571173976.db2.gz	GRXXJZWVGGMTFQ-GOSISDBHSA-N	0	0	400.347	2.349	50	5		HEBARN
COc1ccc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c(OC)c1	ZINC000009124979	571226142	/nfs/dbraw/zinc/22/61/42/571226142.db2.gz	WYMDSCJPUCWRGZ-UHFFFAOYSA-N	0	0	423.447	2.377	50	5		HEBARN
CN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@@H](c4ccccc4)C[C@@H]32)C1=O	ZINC000009128881	571227075	/nfs/dbraw/zinc/22/70/75/571227075.db2.gz	IGIWMSQJNVGVPB-QXATTWAWSA-N	0	0	420.425	2.208	50	5		HEBARN
CCOC(=O)c1cc(C(=O)N2CSC[C@H]2C(=O)NCCC(C)C)cc([N+](=O)[O-])c1	ZINC000069530028	571228894	/nfs/dbraw/zinc/22/88/94/571228894.db2.gz	YBTKMWHLDRRAEG-INIZCTEOSA-N	0	0	423.491	2.449	50	5		HEBARN
CN(C)S(=O)(=O)c1ccc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1	ZINC000009442112	571259270	/nfs/dbraw/zinc/25/92/70/571259270.db2.gz	VKFNJBRYOGVONE-UHFFFAOYSA-N	0	0	422.415	2.069	50	5		HEBARN
CCOc1ccc(-n2c(=O)[nH]c3c2nc(-c2ccccc2[N+](=O)[O-])nc3C(N)=O)cc1	ZINC000009739018	571283257	/nfs/dbraw/zinc/28/32/57/571283257.db2.gz	XJRJNVHNRUICMF-UHFFFAOYSA-N	0	0	420.385	2.182	50	5		HEBARN
O=[N+]([O-])c1ccc(S(=O)(=O)NCCOc2ccc(-c3ccccc3)nn2)cc1	ZINC000010275793	571299188	/nfs/dbraw/zinc/29/91/88/571299188.db2.gz	HGUUARGUTRIZTA-UHFFFAOYSA-N	0	0	400.416	2.409	50	5		HEBARN
COc1cccc([C@@H]2c3c(-c4ccc([N+](=O)[O-])cc4)n[nH]c(=O)c3Nc3nnnn32)c1	ZINC000010296139	571299499	/nfs/dbraw/zinc/29/94/99/571299499.db2.gz	GJPSMBAZNSUSQE-QGZVFWFLSA-N	0	0	418.373	2.447	50	5		HEBARN
O=C(CNC(=O)c1ccc(F)cc1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1	ZINC000009378788	132234308	/nfs/dbraw/zinc/23/43/08/132234308.db2.gz	HPMJPJBCIRHCKE-UHFFFAOYSA-N	0	0	420.828	2.466	50	5		HEBARN
Cc1ccc(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)cc1[N+](=O)[O-]	ZINC000001109020	132237252	/nfs/dbraw/zinc/23/72/52/132237252.db2.gz	IKGDRHQKEIEFAB-UHFFFAOYSA-N	0	0	418.475	2.237	50	5		HEBARN
C[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccccc1	ZINC000004889919	132291726	/nfs/dbraw/zinc/29/17/26/132291726.db2.gz	KGPRHQFYZHZTNB-HNNXBMFYSA-N	0	0	413.430	2.466	50	5		HEBARN
Cc1ccc(C)c(N2CCN(c3ccc(N4C(=O)COCC4=O)cc3[N+](=O)[O-])CC2)c1	ZINC000008683522	132332128	/nfs/dbraw/zinc/33/21/28/132332128.db2.gz	PVORJQOTQNQVJS-UHFFFAOYSA-N	0	0	424.457	2.428	50	5		HEBARN
Cc1ccc2nc(COC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc(=O)n2c1	ZINC000009464929	132340126	/nfs/dbraw/zinc/34/01/26/132340126.db2.gz	ZYXKERFIUNNIAP-UHFFFAOYSA-N	0	0	424.413	2.105	50	5		HEBARN
CC(=O)N1CCN(c2ccc(C(=O)NCc3ccccc3F)cc2[N+](=O)[O-])CC1	ZINC000012608212	132365118	/nfs/dbraw/zinc/36/51/18/132365118.db2.gz	IFIIWNTWQHNLHU-UHFFFAOYSA-N	0	0	400.410	2.332	50	5		HEBARN
C[C@@H]1CN(CC(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c([N+](=O)[O-])c2)C[C@@H](C)O1	ZINC000023673995	132481787	/nfs/dbraw/zinc/48/17/87/132481787.db2.gz	OVKBQVHTBUJAAS-FPCVCCKLSA-N	0	0	406.483	2.256	50	5		HEBARN
COC(=O)Cn1cc(S(=O)(=O)N2CCc3ccccc32)c2cc([N+](=O)[O-])ccc21	ZINC000020558018	523401387	/nfs/dbraw/zinc/40/13/87/523401387.db2.gz	XLIDXSCFYZNHPU-UHFFFAOYSA-N	0	0	415.427	2.474	50	5		HEBARN
C[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN(c2ccccc2)CC1	ZINC000032440580	524746989	/nfs/dbraw/zinc/74/69/89/524746989.db2.gz	NFMUJLLGNKXPAU-INIZCTEOSA-N	0	0	404.492	2.084	50	5		HEBARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1ccc(F)cc1	ZINC000009414123	557841767	/nfs/dbraw/zinc/84/17/67/557841767.db2.gz	FWVPBAANHOPYJM-PLRJNAJWSA-N	0	0	420.400	2.243	50	5		HEBARN
O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)C(=O)N1Cc1ccccc1	ZINC000229904919	558427048	/nfs/dbraw/zinc/42/70/48/558427048.db2.gz	DWEUHKZXUGFAPK-AVRDEDQJSA-N	0	0	420.425	2.385	50	5		HEBARN
Cc1cc(NC(=O)CN(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])cc1C	ZINC000010834069	558478184	/nfs/dbraw/zinc/47/81/84/558478184.db2.gz	UINBVUGLZCGCTN-OAHLLOKOSA-N	0	0	421.475	2.432	50	5		HEBARN
Cc1cc(NC(=O)CN(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])cc1C	ZINC000010834073	558478233	/nfs/dbraw/zinc/47/82/33/558478233.db2.gz	UINBVUGLZCGCTN-HNNXBMFYSA-N	0	0	421.475	2.432	50	5		HEBARN
COc1cccc(N2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@@H]3CS(=O)(=O)C[C@H]32)c1	ZINC000004387473	558487867	/nfs/dbraw/zinc/48/78/67/558487867.db2.gz	KYJIKTKWAURKAV-IAGOWNOFSA-N	0	0	403.416	2.216	50	5		HEBARN
Cc1ccc(-n2c3nc(-c4ccccc4[N+](=O)[O-])nc(C(N)=O)c3[nH]c2=O)cc1C	ZINC000004518755	558646127	/nfs/dbraw/zinc/64/61/27/558646127.db2.gz	ZNRQZNSKQMXKII-UHFFFAOYSA-N	0	0	404.386	2.400	50	5		HEBARN
O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C(=O)c2cccs2)C1	ZINC000023018464	558865013	/nfs/dbraw/zinc/86/50/13/558865013.db2.gz	VLVIIHPCWGDAIB-GDBMZVCRSA-N	0	0	403.460	2.358	50	5		HEBARN
CCOC(=O)N1CCN(C(=O)c2cccn3c(=O)c4cc(Cl)ccc4nc23)CC1	ZINC000004659323	558872435	/nfs/dbraw/zinc/87/24/35/558872435.db2.gz	KXZJBDVSORWXRQ-UHFFFAOYSA-N	0	0	414.849	2.415	50	5		HEBARN
Cn1ccnc1[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1	ZINC000010656588	558894578	/nfs/dbraw/zinc/89/45/78/558894578.db2.gz	OVIPLAIWWGZKOB-SFHVURJKSA-N	0	0	411.393	2.103	50	5		HEBARN
O=C(Nc1ccc(-n2cccn2)nc1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1	ZINC000023073549	558998105	/nfs/dbraw/zinc/99/81/05/558998105.db2.gz	GNSRODDLDAUDSE-GFCCVEGCSA-N	0	0	410.365	2.306	50	5		HEBARN
C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1cccs1)N1CCN(C)CC1	ZINC000023181879	559031677	/nfs/dbraw/zinc/03/16/77/559031677.db2.gz	LKACAHQFTOBJDC-RDTXWAMCSA-N	0	0	424.548	2.312	50	5		HEBARN
Cc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1	ZINC000004755602	559048783	/nfs/dbraw/zinc/04/87/83/559048783.db2.gz	SXLSHFPSIRMNKJ-UHFFFAOYSA-N	0	0	405.432	2.176	50	5		HEBARN
COc1ccc(NC(=S)N[C@@H](NC=O)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1	ZINC000004774802	559057036	/nfs/dbraw/zinc/05/70/36/559057036.db2.gz	QGVBHJFCMHLXPH-SECBINFHSA-N	0	0	401.659	2.332	50	5		HEBARN
Cc1ccc(S(=O)(=O)N2CCCN(c3ccc([N+](=O)[O-])c4nonc43)CC2)cc1	ZINC000011376313	559067328	/nfs/dbraw/zinc/06/73/28/559067328.db2.gz	GXWMETLBRIATJK-UHFFFAOYSA-N	0	0	417.447	2.340	50	5		HEBARN
Cc1cccn2c1nc1c(cc(C(=O)NC3CCCC3)c(=N)n1C[C@@H]1CCCO1)c2=O	ZINC000100627416	559137061	/nfs/dbraw/zinc/13/70/61/559137061.db2.gz	GEUSROTXRJRQRV-INIZCTEOSA-N	0	0	421.501	2.288	50	5		HEBARN
CCCn1c(=N)c(C(=O)NCc2cccnc2)cc2c1nc1c(C)cccn1c2=O	ZINC000100627794	559137118	/nfs/dbraw/zinc/13/71/18/559137118.db2.gz	RXPWKZVPNGKRRT-UHFFFAOYSA-N	0	0	402.458	2.172	50	5		HEBARN
C[C@@H](OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1ccccc1	ZINC000011672845	559171557	/nfs/dbraw/zinc/17/15/57/559171557.db2.gz	QPIFLSABHIZKMO-QWHCGFSZSA-N	0	0	420.443	2.421	50	5		HEBARN
CCOCCCn1c(=N)c(C(=O)N2CCCCC2)cc2c1nc1c(C)cccn1c2=O	ZINC000100628078	559245599	/nfs/dbraw/zinc/24/55/99/559245599.db2.gz	UXOJITZAGHYRCW-UHFFFAOYSA-N	0	0	423.517	2.490	50	5		HEBARN
O=[N+]([O-])c1ccc(NC[C@@H](CO)Cc2ccco2)c(S(=O)(=O)N2CCCC2)c1	ZINC000024205869	559278027	/nfs/dbraw/zinc/27/80/27/559278027.db2.gz	DAYUDFUBWXWHGK-AWEZNQCLSA-N	0	0	409.464	2.235	50	5		HEBARN
CNc1ccc(S(=O)(=O)NCC(=O)OC/C=C/c2ccccc2)cc1[N+](=O)[O-]	ZINC000005279745	560561885	/nfs/dbraw/zinc/56/18/85/560561885.db2.gz	BXSAWQVGBJISPO-VMPITWQZSA-N	0	0	405.432	2.171	50	5		HEBARN
CCCn1c(=N)c(C(=O)NCc2ccc(OC)cc2)cc2c1nc1ccccn1c2=O	ZINC000101037326	560767045	/nfs/dbraw/zinc/76/70/45/560767045.db2.gz	XUCYEUKRGHEXHK-UHFFFAOYSA-N	0	0	417.469	2.477	50	5		HEBARN
COc1ccc(C2=NO[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(=O)[C@H]23)cc1OC	ZINC000101273486	560790281	/nfs/dbraw/zinc/79/02/81/560790281.db2.gz	GPTJDNKNJXNIQE-AEFFLSMTSA-N	0	0	411.370	2.213	50	5		HEBARN
COc1ccc(OC)c(C2=NO[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(O)=C23)c1	ZINC000101269495	560790972	/nfs/dbraw/zinc/79/09/72/560790972.db2.gz	WZUUZSSWXMLOCE-AEFFLSMTSA-N	0	0	411.370	2.213	50	5		HEBARN
COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(=O)[C@@H]23)cc1OC	ZINC000102895283	560833226	/nfs/dbraw/zinc/83/32/26/560833226.db2.gz	PGDCRVUWGQCJBE-WMZOPIPTSA-N	0	0	411.370	2.213	50	5		HEBARN
COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(O)=C23)c(OC)c1	ZINC000103548758	560843053	/nfs/dbraw/zinc/84/30/53/560843053.db2.gz	BRJUXKBPZYTFHY-SJLPKXTDSA-N	0	0	411.370	2.213	50	5		HEBARN
COc1ccccc1CCNS(=O)(=O)[C@H]1CON(C)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000105049193	560860651	/nfs/dbraw/zinc/86/06/51/560860651.db2.gz	UARRWJKMGPKKDW-RBUKOAKNSA-N	0	0	421.475	2.052	50	5		HEBARN
C[C@@H]1CCCN(C(=O)C2CCN(Cn3c(=O)oc4ccc([N+](=O)[O-])cc43)CC2)C1	ZINC000048288028	568434663	/nfs/dbraw/zinc/43/46/63/568434663.db2.gz	PLRZBSUNHWWCTD-CQSZACIVSA-N	0	0	402.451	2.431	50	5		HEBARN
C[C@@H](C(=O)NC(=O)NCc1ccccc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000014924063	568455489	/nfs/dbraw/zinc/45/54/89/568455489.db2.gz	NTMHOQTXKAWFOY-INIZCTEOSA-N	0	0	411.462	2.131	50	5		HEBARN
CN(OCc1ccccc1)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-]	ZINC000095455260	568616725	/nfs/dbraw/zinc/61/67/25/568616725.db2.gz	GVKPSTKLHDCRHA-UHFFFAOYSA-N	0	0	420.491	2.099	50	5		HEBARN
Cc1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1S(N)(=O)=O	ZINC000020629543	568638673	/nfs/dbraw/zinc/63/86/73/568638673.db2.gz	MCGCGCXBQWKAPB-UHFFFAOYSA-N	0	0	405.841	2.005	50	5		HEBARN
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1	ZINC000095978805	568674136	/nfs/dbraw/zinc/67/41/36/568674136.db2.gz	KTQGTZKTKUVIRR-UHFFFAOYSA-N	0	0	413.356	2.217	50	5		HEBARN
O=C(COC(=O)c1ccc([N+](=O)[O-])s1)N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1	ZINC000021470317	568703000	/nfs/dbraw/zinc/70/30/00/568703000.db2.gz	BCWPTBKQGOQJBY-ZDUSSCGKSA-N	0	0	422.440	2.157	50	5		HEBARN
O=[N+]([O-])c1ccc(Nc2ccc3c(c2)OCO3)c(S(=O)(=O)N2CCOCC2)c1	ZINC000015111469	568756627	/nfs/dbraw/zinc/75/66/27/568756627.db2.gz	FLTQMIVWZUSHME-UHFFFAOYSA-N	0	0	407.404	2.088	50	5		HEBARN
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)Cn3cnc([N+](=O)[O-])c3)cc2)C1	ZINC000025451866	568769897	/nfs/dbraw/zinc/76/98/97/568769897.db2.gz	VSOASVVHGUGPHS-KBPBESRZSA-N	0	0	421.479	2.097	50	5		HEBARN
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCC(=O)c1ccccc1Cl	ZINC000001118459	568770847	/nfs/dbraw/zinc/77/08/47/568770847.db2.gz	ZKNIWXLVDJRIET-UHFFFAOYSA-N	0	0	402.746	2.270	50	5		HEBARN
COc1cccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c1	ZINC000001141843	568772314	/nfs/dbraw/zinc/77/23/14/568772314.db2.gz	ADJPCXAISUNMEZ-UHFFFAOYSA-N	0	0	409.420	2.017	50	5		HEBARN
CCOc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000002618486	568786268	/nfs/dbraw/zinc/78/62/68/568786268.db2.gz	GJFYUDWXDOSWNR-UHFFFAOYSA-N	0	0	415.402	2.214	50	5		HEBARN
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCC(=O)c1ccc(Cl)s1	ZINC000002621935	568787978	/nfs/dbraw/zinc/78/79/78/568787978.db2.gz	WIIKLSQZQMBRSR-UHFFFAOYSA-N	0	0	408.775	2.332	50	5		HEBARN
CCn1c(CCn2nc(C)c([N+](=O)[O-])c2C)nnc1SCC(=O)NCC(C)C	ZINC000002793092	568809446	/nfs/dbraw/zinc/80/94/46/568809446.db2.gz	IMTDJNZYVXJZGN-UHFFFAOYSA-N	0	0	409.516	2.127	50	5		HEBARN
CCOC(=O)c1sc2ncn3nc(-c4c([N+](=O)[O-])c(C)nn4C)nc3c2c1C	ZINC000002790815	568809649	/nfs/dbraw/zinc/80/96/49/568809649.db2.gz	KDIMACCWECLIFD-UHFFFAOYSA-N	0	0	401.408	2.441	50	5		HEBARN
COc1ccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c(OC)c1	ZINC000002844543	568812824	/nfs/dbraw/zinc/81/28/24/568812824.db2.gz	KBWXSRQEFQZRHF-UHFFFAOYSA-N	0	0	423.447	2.325	50	5		HEBARN
COc1ccccc1CCNS(=O)(=O)[C@@H]1CON(C)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000034738645	568824543	/nfs/dbraw/zinc/82/45/43/568824543.db2.gz	UARRWJKMGPKKDW-RTBURBONSA-N	0	0	421.475	2.052	50	5		HEBARN
CCOc1ccc(N2C[C@H](C(=O)NC[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1	ZINC000029697151	568828674	/nfs/dbraw/zinc/82/86/74/568828674.db2.gz	LHRDXDHNPKJQBA-BEFAXECRSA-N	0	0	413.430	2.196	50	5		HEBARN
COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)N2CCC[C@H](C(N)=O)C2)cc1	ZINC000012553692	568854677	/nfs/dbraw/zinc/85/46/77/568854677.db2.gz	VVDFMZXLAJOGAB-HNNXBMFYSA-N	0	0	413.430	2.373	50	5		HEBARN
COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2N2CCCN12	ZINC000019169989	568880589	/nfs/dbraw/zinc/88/05/89/568880589.db2.gz	RGTVNUYCFJBVFN-OTWHNJEPSA-N	0	0	408.414	2.139	50	5		HEBARN
COc1ccc(CNC(=O)[C@H](C)OC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1	ZINC000003372710	568890867	/nfs/dbraw/zinc/89/08/67/568890867.db2.gz	LFQGBIFUVWGICJ-LBPRGKRZSA-N	0	0	418.402	2.482	50	5		HEBARN
O=C(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)Nc1ccc(N2CCOCC2)cc1	ZINC000058174253	568896110	/nfs/dbraw/zinc/89/61/10/568896110.db2.gz	SNZBFVPOMQHULN-UHFFFAOYSA-N	0	0	408.418	2.329	50	5		HEBARN
COC(=O)c1cc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)cc([N+](=O)[O-])c1	ZINC000003416308	568899144	/nfs/dbraw/zinc/89/91/44/568899144.db2.gz	RXPBZJVHKLTRTN-UHFFFAOYSA-N	0	0	401.327	2.192	50	5		HEBARN
Cc1cc(C(=O)OCCCNC2=NS(=O)(=O)c3ccccc32)ccc1[N+](=O)[O-]	ZINC000003583381	568916953	/nfs/dbraw/zinc/91/69/53/568916953.db2.gz	HGPGGMHCXSNEPS-UHFFFAOYSA-N	0	0	403.416	2.189	50	5		HEBARN
CS(=O)(=O)c1ccc(NCCNC(=O)c2cc3cc(F)ccc3[nH]2)c([N+](=O)[O-])c1	ZINC000012770124	568950518	/nfs/dbraw/zinc/95/05/18/568950518.db2.gz	LGLCQZMPBHNLHK-UHFFFAOYSA-N	0	0	420.422	2.461	50	5		HEBARN
COc1ccc(CN(C(=O)c2ccccc2[N+](=O)[O-])[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000004318648	568962896	/nfs/dbraw/zinc/96/28/96/568962896.db2.gz	LKFBJNPBDKLAFS-OAHLLOKOSA-N	0	0	404.444	2.433	50	5		HEBARN
CC(C)[C@@H](NC(=O)COc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccccc1	ZINC000012800018	568978537	/nfs/dbraw/zinc/97/85/37/568978537.db2.gz	VBGDCUXXMQUDKY-GOSISDBHSA-N	0	0	407.448	2.135	50	5		HEBARN
Cc1c(C)c(C)c(S(=O)(=O)N2CCN(c3c([N+](=O)[O-])ncn3C)CC2)c(C)c1C	ZINC000008337991	568993325	/nfs/dbraw/zinc/99/33/25/568993325.db2.gz	XDWZNNFXOCGEFY-UHFFFAOYSA-N	0	0	421.523	2.381	50	5		HEBARN
N=c1c(C(=O)NC2CCCCC2)cc2c(=O)n3ccccc3nc2n1C[C@H]1CCCO1	ZINC000100515188	569009765	/nfs/dbraw/zinc/00/97/65/569009765.db2.gz	LAVWELHESAWYDA-MRXNPFEDSA-N	0	0	421.501	2.370	50	5		HEBARN
N=c1c(C(=O)NC2CCCCC2)cc2c(=O)n3ccccc3nc2n1C[C@@H]1CCCO1	ZINC000100515184	569009769	/nfs/dbraw/zinc/00/97/69/569009769.db2.gz	LAVWELHESAWYDA-INIZCTEOSA-N	0	0	421.501	2.370	50	5		HEBARN
COc1cc(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])c([N+](=O)[O-])cc1OC	ZINC000015978267	569025222	/nfs/dbraw/zinc/02/52/22/569025222.db2.gz	UMRATJCPJMXXFK-UHFFFAOYSA-N	0	0	405.319	2.316	50	5		HEBARN
C[C@H](C(=O)O[C@@H](C)C(=O)Nc1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000012943516	569028804	/nfs/dbraw/zinc/02/88/04/569028804.db2.gz	CWDFUSRZVVVWHH-NEPJUHHUSA-N	0	0	411.370	2.150	50	5		HEBARN
C[C@@H](OC(=O)[C@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)Nc1ccccc1	ZINC000012943525	569028850	/nfs/dbraw/zinc/02/88/50/569028850.db2.gz	CWDFUSRZVVVWHH-NWDGAFQWSA-N	0	0	411.370	2.150	50	5		HEBARN
CC(C)[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000006190670	569031165	/nfs/dbraw/zinc/03/11/65/569031165.db2.gz	LEMBHFQBKUHQLH-INIZCTEOSA-N	0	0	422.419	2.445	50	5		HEBARN
O=C(/C=C/c1ccsc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000012974653	569042028	/nfs/dbraw/zinc/04/20/28/569042028.db2.gz	IQEOQIBQNSOXCM-LZCJLJQNSA-N	0	0	407.473	2.203	50	5		HEBARN
COc1ccc(N2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000006405545	569047029	/nfs/dbraw/zinc/04/70/29/569047029.db2.gz	DGRKMQNNMSVLLB-IAGOWNOFSA-N	0	0	403.416	2.216	50	5		HEBARN
COc1ccc(N2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000006405546	569047030	/nfs/dbraw/zinc/04/70/30/569047030.db2.gz	DGRKMQNNMSVLLB-IRXDYDNUSA-N	0	0	403.416	2.216	50	5		HEBARN
COc1ccc(C)cc1NC(=O)CNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C	ZINC000013022557	569051215	/nfs/dbraw/zinc/05/12/15/569051215.db2.gz	VGUJGJIHNNVQJD-UHFFFAOYSA-N	0	0	407.448	2.446	50	5		HEBARN
CCCCn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000001804850	569053459	/nfs/dbraw/zinc/05/34/59/569053459.db2.gz	KCQZOLDRRWSGJR-UHFFFAOYSA-N	0	0	417.447	2.107	50	5		HEBARN
Cc1ccc(NC(=O)CNc2ccc(F)c([N+](=O)[O-])c2)cc1S(=O)(=O)N(C)C	ZINC000006543037	569064744	/nfs/dbraw/zinc/06/47/44/569064744.db2.gz	VUXFOHDFECHABO-UHFFFAOYSA-N	0	0	410.427	2.343	50	5		HEBARN
CC(C)NC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000036251893	569119490	/nfs/dbraw/zinc/11/94/90/569119490.db2.gz	XPUUSMVSCVDYGD-LJQANCHMSA-N	0	0	402.495	2.436	50	5		HEBARN
CCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1	ZINC000036255906	569120238	/nfs/dbraw/zinc/12/02/38/569120238.db2.gz	MOOAGCQQBHPXLZ-IBGZPJMESA-N	0	0	402.495	2.356	50	5		HEBARN
Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CNC(=O)c1cccc(Cl)c1	ZINC000006944187	569187157	/nfs/dbraw/zinc/18/71/57/569187157.db2.gz	QEAXUGJZERXRGY-UHFFFAOYSA-N	0	0	405.794	2.468	50	5		HEBARN
Cc1cccc(C(=O)OCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-]	ZINC000013159782	569211670	/nfs/dbraw/zinc/21/16/70/569211670.db2.gz	IEAUSSBZWOWSFW-OAHLLOKOSA-N	0	0	424.475	2.018	50	5		HEBARN
C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(=O)Nc1cc(F)ccc1F	ZINC000007204860	569228674	/nfs/dbraw/zinc/22/86/74/569228674.db2.gz	VIANPSASWPCTCJ-SNVBAGLBSA-N	0	0	409.345	2.461	50	5		HEBARN
Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)n1	ZINC000007499607	569243006	/nfs/dbraw/zinc/24/30/06/569243006.db2.gz	LGGAUEVQPPBVHB-UHFFFAOYSA-N	0	0	404.448	2.338	50	5		HEBARN
CC(C)(C)OC(=O)N1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@H](c2ccncc2)C1	ZINC000252492378	569290587	/nfs/dbraw/zinc/29/05/87/569290587.db2.gz	MKGWDVNABCTRPF-HNNXBMFYSA-N	0	0	416.438	2.007	50	5		HEBARN
CCOC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])nn2C)c(C(=O)OCC)c1C	ZINC000012413669	569400886	/nfs/dbraw/zinc/40/08/86/569400886.db2.gz	QXVDIHLKEKNYSW-UHFFFAOYSA-N	0	0	410.408	2.304	50	5		HEBARN
CCOC(=O)c1sc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c(C(=O)OCC)c1C	ZINC000012413661	569400897	/nfs/dbraw/zinc/40/08/97/569400897.db2.gz	QWTBVGBYHQOFLQ-UHFFFAOYSA-N	0	0	410.408	2.153	50	5		HEBARN
COc1cc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c([N+](=O)[O-])cc1OC	ZINC000013097337	569409084	/nfs/dbraw/zinc/40/90/84/569409084.db2.gz	SSWRWYTZBZRXII-UHFFFAOYSA-N	0	0	423.447	2.423	50	5		HEBARN
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3N3CCCN23)cc1	ZINC000019169318	569414292	/nfs/dbraw/zinc/41/42/92/569414292.db2.gz	HNHULONBMOKPMS-OTWHNJEPSA-N	0	0	408.414	2.139	50	5		HEBARN
Cc1c(C(=O)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000078821897	569420638	/nfs/dbraw/zinc/42/06/38/569420638.db2.gz	SZQBQSTZVREVHO-KZULUSFZSA-N	0	0	419.459	2.153	50	5		HEBARN
COc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1[N+](=O)[O-]	ZINC000008660857	571098485	/nfs/dbraw/zinc/09/84/85/571098485.db2.gz	LDLRKHZQZCJUDC-UHFFFAOYSA-N	0	0	418.431	2.202	50	5		HEBARN
CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCC(=O)NC1CCCC1	ZINC000040127947	571179478	/nfs/dbraw/zinc/17/94/78/571179478.db2.gz	OQMIVTNADCVUFI-UHFFFAOYSA-N	0	0	402.407	2.395	50	5		HEBARN
CCN(CC)C(=O)[C@@H]1CSCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1	ZINC000069483925	571228517	/nfs/dbraw/zinc/22/85/17/571228517.db2.gz	HSFLMHYMGNVYGA-INIZCTEOSA-N	0	0	403.464	2.164	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1n[nH]c(=O)c2ccccc21	ZINC000009244694	571241238	/nfs/dbraw/zinc/24/12/38/571241238.db2.gz	QSTZRGUUDCRYOU-SNVBAGLBSA-N	0	0	412.358	2.024	50	5		HEBARN
COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)N1CCOCC1	ZINC000009295467	571245831	/nfs/dbraw/zinc/24/58/31/571245831.db2.gz	TUGOWTRBWALFIV-GQCTYLIASA-N	0	0	403.391	2.308	50	5		HEBARN
CCCN(C(=O)c1cccc([N+](=O)[O-])c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000009507179	571263692	/nfs/dbraw/zinc/26/36/92/571263692.db2.gz	PQRWBWPFEAWHMV-UHFFFAOYSA-N	0	0	423.429	2.132	50	5		HEBARN
COC(=O)c1sc(S(=O)(=O)Oc2ccccc2[N+](=O)[O-])c(C(=O)OC)c1C	ZINC000009506751	571263699	/nfs/dbraw/zinc/26/36/99/571263699.db2.gz	JYHDOPYBEYZUET-UHFFFAOYSA-N	0	0	415.401	2.306	50	5		HEBARN
Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])nc2n1	ZINC000009982823	571293512	/nfs/dbraw/zinc/29/35/12/571293512.db2.gz	QSDXMYBGAVXJAE-UHFFFAOYSA-N	0	0	404.770	2.098	50	5		HEBARN
CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCc4ccccc4C3)c2)CC1	ZINC000004143456	132272296	/nfs/dbraw/zinc/27/22/96/132272296.db2.gz	OMWDEYGKDFOQSV-UHFFFAOYSA-N	0	0	416.503	2.239	50	5		HEBARN
Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000005094436	132300735	/nfs/dbraw/zinc/30/07/35/132300735.db2.gz	JRZWMHKWJBUWNN-UHFFFAOYSA-N	0	0	412.446	2.417	50	5		HEBARN
Cc1c(C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)cccc1[N+](=O)[O-]	ZINC000016964356	132464551	/nfs/dbraw/zinc/46/45/51/132464551.db2.gz	OADUPEZTHLNTQH-LJQANCHMSA-N	0	0	411.414	2.170	50	5		HEBARN
CN1CCN(c2ccc(C(=O)Nc3ccc(-n4cccn4)nc3)cc2[N+](=O)[O-])CC1	ZINC000023073518	132477176	/nfs/dbraw/zinc/47/71/76/132477176.db2.gz	GWZCLTMJWIGKLW-UHFFFAOYSA-N	0	0	407.434	2.180	50	5		HEBARN
COCc1n[nH]c(-n2ccc3nc4ccn(-c5ccc(C)cc5)c(=O)c4cc3c2=O)n1	ZINC000040398965	523162293	/nfs/dbraw/zinc/16/22/93/523162293.db2.gz	SVHNGELHSIFPCD-UHFFFAOYSA-N	0	0	414.425	2.263	50	5		HEBARN
Cc1ccc([C@H](CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)N2CCOCC2)o1	ZINC000032848044	525958309	/nfs/dbraw/zinc/95/83/09/525958309.db2.gz	MYVNZRHUUUHSFU-KRWDZBQOSA-N	0	0	409.464	2.156	50	5		HEBARN
O=C(c1ccccc1Cl)N1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1	ZINC000032743334	526802216	/nfs/dbraw/zinc/80/22/16/526802216.db2.gz	DLLSNLOIOLXEQS-INIZCTEOSA-N	0	0	419.865	2.446	50	5		HEBARN
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)nc1	ZINC000020413318	527363127	/nfs/dbraw/zinc/36/31/27/527363127.db2.gz	MXINXFMGACLIIY-UHFFFAOYSA-N	0	0	400.819	2.293	50	5		HEBARN
C[C@H](OC(=O)Cn1cc(C(F)(F)F)ccc1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000010595196	557773387	/nfs/dbraw/zinc/77/33/87/557773387.db2.gz	GPDGLKFKJOWETH-JTQLQIEISA-N	0	0	413.308	2.346	50	5		HEBARN
CN1CCN([C@@H](C(=O)NC2CCCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1	ZINC000002457503	557835502	/nfs/dbraw/zinc/83/55/02/557835502.db2.gz	LTNZXJWERHBZKQ-LJQANCHMSA-N	0	0	404.467	2.061	50	5		HEBARN
CC(C)Cn1c2nc3ccccc3nc2c2c1ncn(CCN1CCOCC1)c2=O	ZINC000020057242	558328716	/nfs/dbraw/zinc/32/87/16/558328716.db2.gz	UZEDOLZGHXNXQZ-UHFFFAOYSA-N	0	0	406.490	2.283	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1NCC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1	ZINC000010826670	558471742	/nfs/dbraw/zinc/47/17/42/558471742.db2.gz	YYRIVLVLQBLCOL-INIZCTEOSA-N	0	0	419.459	2.236	50	5		HEBARN
Cc1ccc2nc3c(cc(C(=O)NC4CCCC4)c(=N)n3C[C@@H]3CCCO3)c(=O)n2c1	ZINC000015952816	558763866	/nfs/dbraw/zinc/76/38/66/558763866.db2.gz	OOFLYMWBUGKIPB-INIZCTEOSA-N	0	0	421.501	2.288	50	5		HEBARN
O=C(Cc1ccccc1[N+](=O)[O-])N1CCc2n[nH]c(C(=O)NCc3ccccc3)c2C1	ZINC000034797120	558783956	/nfs/dbraw/zinc/78/39/56/558783956.db2.gz	DDXSCZOUVWGJNA-UHFFFAOYSA-N	0	0	419.441	2.375	50	5		HEBARN
O=C(/C=C/c1ccccc1[N+](=O)[O-])OCC(=O)NCCc1ccc2c(c1)OCCO2	ZINC000011148819	558868180	/nfs/dbraw/zinc/86/81/80/558868180.db2.gz	IZUXWWVTLRLNCJ-SOFGYWHQSA-N	0	0	412.398	2.281	50	5		HEBARN
COc1ccc(CNC(=O)CSc2nc3ccccc3c3nc(=O)c(C)nn23)cc1	ZINC000058046924	558896621	/nfs/dbraw/zinc/89/66/21/558896621.db2.gz	YHWBIGJAVCFEAE-UHFFFAOYSA-N	0	0	421.482	2.363	50	5		HEBARN
O=C(NCCCN1CCCC1=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12	ZINC000023187121	559029455	/nfs/dbraw/zinc/02/94/55/559029455.db2.gz	WLQQWDTUXAFSAM-HKUYNNGSSA-N	0	0	400.479	2.255	50	5		HEBARN
COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3N3CCCN23)cc1	ZINC000100090994	559132992	/nfs/dbraw/zinc/13/29/92/559132992.db2.gz	HNHULONBMOKPMS-QRVBRYPASA-N	0	0	408.414	2.139	50	5		HEBARN
N=c1c(C(=O)NC[C@H]2CCCO2)cc2c(=O)n3ccccc3nc2n1C1CCCC1	ZINC000100622919	559137036	/nfs/dbraw/zinc/13/70/36/559137036.db2.gz	JQEAVWONIQJLNL-OAHLLOKOSA-N	0	0	407.474	2.153	50	5		HEBARN
CCn1c(=N)c(C(=O)NCCc2ccccc2)cc2c1nc1c(C)cccn1c2=O	ZINC000100627752	559137092	/nfs/dbraw/zinc/13/70/92/559137092.db2.gz	GUPVSGWVLKRRLX-UHFFFAOYSA-N	0	0	401.470	2.429	50	5		HEBARN
N=c1c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc2n1Cc1ccco1	ZINC000100627251	559137099	/nfs/dbraw/zinc/13/70/99/559137099.db2.gz	DAPZYIALJVDJRQ-UHFFFAOYSA-N	0	0	415.409	2.293	50	5		HEBARN
CCn1c(=N)c(C(=O)NCc2ccc(OC)cc2)cc2c1nc1c(C)cccn1c2=O	ZINC000101140930	559143553	/nfs/dbraw/zinc/14/35/53/559143553.db2.gz	SJPNYRSTDHCQSG-UHFFFAOYSA-N	0	0	417.469	2.396	50	5		HEBARN
CCn1cnc2c1c(=O)n(Cc1cccc([N+](=O)[O-])c1)c(=O)n2Cc1ccccc1	ZINC000005265114	560553426	/nfs/dbraw/zinc/55/34/26/560553426.db2.gz	KLVRRSNTWASLPW-UHFFFAOYSA-N	0	0	405.414	2.384	50	5		HEBARN
COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)Nc3cccc([N+](=O)[O-])c3)n2)c1	ZINC000005409575	560583756	/nfs/dbraw/zinc/58/37/56/560583756.db2.gz	ACEATUVBCQKEAR-UHFFFAOYSA-N	0	0	410.386	2.474	50	5		HEBARN
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000005633500	560635287	/nfs/dbraw/zinc/63/52/87/560635287.db2.gz	MTJMHBHZBCHRKM-RMKNXTFCSA-N	0	0	417.443	2.268	50	5		HEBARN
Cc1cc(=O)c(C(=O)N(C)Cc2ccc3c(c2)OCO3)nn1-c1ccccc1[N+](=O)[O-]	ZINC000018156468	560780257	/nfs/dbraw/zinc/78/02/57/560780257.db2.gz	IHCBKNGMSQUJCU-UHFFFAOYSA-N	0	0	422.397	2.450	50	5		HEBARN
C[C@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000005709983	560804993	/nfs/dbraw/zinc/80/49/93/560804993.db2.gz	WJBMFFPCMYBTQG-ZDUSSCGKSA-N	0	0	414.418	2.198	50	5		HEBARN
O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(NCCCN2CCOCC2)c([N+](=O)[O-])c1	ZINC000102783826	560827446	/nfs/dbraw/zinc/82/74/46/560827446.db2.gz	NOKMAPIEJXEQGM-IRXDYDNUSA-N	0	0	416.478	2.409	50	5		HEBARN
CC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)cc1	ZINC000102988151	560836082	/nfs/dbraw/zinc/83/60/82/560836082.db2.gz	GSZJUBKIUWKSIO-FQEVSTJZSA-N	0	0	422.441	2.252	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1	ZINC000047687296	568430848	/nfs/dbraw/zinc/43/08/48/568430848.db2.gz	SDFDJUYAJTVPNM-UHFFFAOYSA-N	0	0	408.436	2.175	50	5		HEBARN
O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1	ZINC000000834831	568501522	/nfs/dbraw/zinc/50/15/22/568501522.db2.gz	IZRWNBGAFFIRJZ-QGZVFWFLSA-N	0	0	420.443	2.409	50	5		HEBARN
Nc1nc(NCCCN2CCOCC2)nc(Nc2ccc(Cl)cc2)c1[N+](=O)[O-]	ZINC000020228309	568595173	/nfs/dbraw/zinc/59/51/73/568595173.db2.gz	BWHBKWPGEAYJNU-UHFFFAOYSA-N	0	0	407.862	2.498	50	5		HEBARN
Cn1c2c(cn3c2[C@@H](c2ccc([N+](=O)[O-])cc2)Nc2ccccc2-3)c(=O)n(C)c1=O	ZINC000020898633	568649359	/nfs/dbraw/zinc/64/93/59/568649359.db2.gz	DWOFFZPVBXSKJX-QGZVFWFLSA-N	0	0	403.398	2.451	50	5		HEBARN
CCn1c(=O)c2c(ncn2Cc2ccc([N+](=O)[O-])cc2)n(-c2ccc(F)cc2)c1=O	ZINC000096281318	568718751	/nfs/dbraw/zinc/71/87/51/568718751.db2.gz	ZGIAFAMNXGUFDQ-UHFFFAOYSA-N	0	0	409.377	2.464	50	5		HEBARN
COc1ccccc1N1CCN([C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)CC1	ZINC000096299663	568723063	/nfs/dbraw/zinc/72/30/63/568723063.db2.gz	JBVVRBGZTCQRGM-SFHVURJKSA-N	0	0	410.430	2.058	50	5		HEBARN
CC[C@@H](C)NC(=O)c1coc(CN2CCN(Cc3ccccc3[N+](=O)[O-])CC2)n1	ZINC000034678023	568726076	/nfs/dbraw/zinc/72/60/76/568726076.db2.gz	VSBCKECPIXGGRP-OAHLLOKOSA-N	0	0	401.467	2.429	50	5		HEBARN
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)c1nc2ccccn2c1[N+](=O)[O-]	ZINC000021674637	568736922	/nfs/dbraw/zinc/73/69/22/568736922.db2.gz	NALNJDWBWLDAOP-AWEZNQCLSA-N	0	0	418.479	2.052	50	5		HEBARN
CCOc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1	ZINC000001118443	568770962	/nfs/dbraw/zinc/77/09/62/568770962.db2.gz	BNTFMLADCBGHGT-UHFFFAOYSA-N	0	0	423.447	2.407	50	5		HEBARN
COC(=O)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)c([N+](=O)[O-])c1	ZINC000001133314	568773270	/nfs/dbraw/zinc/77/32/70/568773270.db2.gz	QIDHFGGEEARYLF-UHFFFAOYSA-N	0	0	410.386	2.359	50	5		HEBARN
CCN1C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[C@@H](C)C[C@H]32)C(=O)N(C)C1=S	ZINC000230030475	568803100	/nfs/dbraw/zinc/80/31/00/568803100.db2.gz	BOBBKTLZLUOETE-QROBEVECSA-N	0	0	416.503	2.348	50	5		HEBARN
CCOC(=O)c1nn(CC)cc1NC(=O)Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1C	ZINC000002730677	568804640	/nfs/dbraw/zinc/80/46/40/568804640.db2.gz	JSAIXJRHLVDKJK-UHFFFAOYSA-N	0	0	418.332	2.150	50	5		HEBARN
CC[C@H]1CCCCN1C(=O)COC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000028830509	568810747	/nfs/dbraw/zinc/81/07/47/568810747.db2.gz	NSYBDIMFGTXICO-ZDUSSCGKSA-N	0	0	409.464	2.120	50	5		HEBARN
CCOC(=O)N1CCN(C(=O)c2ccc(Cn3cc(Cl)c([N+](=O)[O-])n3)cc2)CC1	ZINC000002809523	568812052	/nfs/dbraw/zinc/81/20/52/568812052.db2.gz	XFRJNZRSVUCMPY-UHFFFAOYSA-N	0	0	421.841	2.407	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1c(F)cccc1F)S(C)(=O)=O	ZINC000002871981	568813721	/nfs/dbraw/zinc/81/37/21/568813721.db2.gz	FYOKFQTVCYCPJA-UHFFFAOYSA-N	0	0	415.374	2.286	50	5		HEBARN
Cc1cccc([C@H](CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)N2CCOCC2)c1	ZINC000029626576	568828013	/nfs/dbraw/zinc/82/80/13/568828013.db2.gz	GUIIEIMVDRPWDW-SFHVURJKSA-N	0	0	420.491	2.036	50	5		HEBARN
CNc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC[C@@H]3C)CC2)cc1[N+](=O)[O-]	ZINC000012553764	568854701	/nfs/dbraw/zinc/85/47/01/568854701.db2.gz	CHABHVFZZODXEE-AWEZNQCLSA-N	0	0	424.523	2.438	50	5		HEBARN
O=C(CNc1cc([N+](=O)[O-])ccc1NCCO)Nc1ccc2c(c1)OC(F)(F)O2	ZINC000015322696	568872740	/nfs/dbraw/zinc/87/27/40/568872740.db2.gz	HDTXJKQGYNTBJX-UHFFFAOYSA-N	0	0	410.333	2.371	50	5		HEBARN
Cn1nc(C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2c1=O	ZINC000003322470	568880550	/nfs/dbraw/zinc/88/05/50/568880550.db2.gz	CQLGYNYSQNOATE-UHFFFAOYSA-N	0	0	416.777	2.291	50	5		HEBARN
CN(CC(=O)Nc1ccc(F)c(F)c1F)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000058160868	568894152	/nfs/dbraw/zinc/89/41/52/568894152.db2.gz	HGUQQDUMDNRANG-UHFFFAOYSA-N	0	0	422.319	2.136	50	5		HEBARN
COc1ccc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3F)n2N)cc1	ZINC000003406367	568897323	/nfs/dbraw/zinc/89/73/23/568897323.db2.gz	YLVCKZJRFJAIPV-UHFFFAOYSA-N	0	0	418.410	2.446	50	5		HEBARN
C[C@H](OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(=O)N1CCc2ccccc21	ZINC000003544911	568914216	/nfs/dbraw/zinc/91/42/16/568914216.db2.gz	ANEKJDLSMZDSGT-LBPRGKRZSA-N	0	0	418.427	2.133	50	5		HEBARN
CCCCN(C(=O)c1ccc([N+](=O)[O-])s1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000012850903	569010490	/nfs/dbraw/zinc/01/04/90/569010490.db2.gz	VDNMBYFASMJELD-UHFFFAOYSA-N	0	0	409.468	2.191	50	5		HEBARN
Cc1ccc(N2C[C@H](C(=O)NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1F	ZINC000012918812	569022751	/nfs/dbraw/zinc/02/27/51/569022751.db2.gz	VKRHTOIYMKUYQZ-RDTXWAMCSA-N	0	0	401.394	2.245	50	5		HEBARN
COc1cc(CCNC(=O)C[C@@H](C)NC(=O)c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000016143916	569029428	/nfs/dbraw/zinc/02/94/28/569029428.db2.gz	HFKVLFCNUXHWFE-CQSZACIVSA-N	0	0	415.446	2.479	50	5		HEBARN
NC(=O)c1ccc(NC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	ZINC000001807639	569053588	/nfs/dbraw/zinc/05/35/88/569053588.db2.gz	OQNUDMNJXICFAP-UHFFFAOYSA-N	0	0	424.413	2.489	50	5		HEBARN
CCOC(=O)c1ccccc1NC(=O)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000001893972	569057018	/nfs/dbraw/zinc/05/70/18/569057018.db2.gz	APOVPRMVPZNINR-UHFFFAOYSA-N	0	0	421.431	2.079	50	5		HEBARN
COC(=O)c1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1	ZINC000089406800	569059340	/nfs/dbraw/zinc/05/93/40/569059340.db2.gz	ZPIVOYXIUDJGRH-UHFFFAOYSA-N	0	0	422.415	2.195	50	5		HEBARN
O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCCO)NCc1ccc(Cl)cc1	ZINC000006533049	569064260	/nfs/dbraw/zinc/06/42/60/569064260.db2.gz	WWSSGURVDNMNDQ-UHFFFAOYSA-N	0	0	407.810	2.126	50	5		HEBARN
CC(C)CNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3cnccn3)C[C@H]12	ZINC000035894906	569065130	/nfs/dbraw/zinc/06/51/30/569065130.db2.gz	UMCJBWSMGSPRIT-PKOBYXMFSA-N	0	0	410.478	2.025	50	5		HEBARN
CN1C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C(=O)N(C)C1=S	ZINC000006672855	569087202	/nfs/dbraw/zinc/08/72/02/569087202.db2.gz	OZYLHKINEUHKPI-HNNXBMFYSA-N	0	0	402.476	2.102	50	5		HEBARN
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3N3CCCN23)cc1	ZINC000138547583	569130382	/nfs/dbraw/zinc/13/03/82/569130382.db2.gz	HNHULONBMOKPMS-IPMKNSEASA-N	0	0	408.414	2.139	50	5		HEBARN
Cc1cc(C(=O)NC2CCN(S(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])CC2)no1	ZINC000065622910	569239114	/nfs/dbraw/zinc/23/91/14/569239114.db2.gz	YVYIYOYZGIJYDB-UHFFFAOYSA-N	0	0	422.463	2.091	50	5		HEBARN
C[C@](O)(CNC(=O)c1cccc([N+](=O)[O-])c1I)c1ccco1	ZINC000170595098	569241433	/nfs/dbraw/zinc/24/14/33/569241433.db2.gz	YAHHONFCYLPKKO-AWEZNQCLSA-N	0	0	416.171	2.430	50	5		HEBARN
Cc1nc(CO[C@@H]2CCN(S(=O)(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)cs1	ZINC000170619741	569248207	/nfs/dbraw/zinc/24/82/07/569248207.db2.gz	LUAKNBSKKGPZAC-CQSZACIVSA-N	0	0	401.441	2.479	50	5		HEBARN
Cc1cc(O)c(C(c2ccccc2[N+](=O)[O-])c2c(O)cc(C)n(C)c2=O)c(=O)n1C	ZINC000010217726	569253535	/nfs/dbraw/zinc/25/35/35/569253535.db2.gz	QEENPJDXPVZNTN-UHFFFAOYSA-N	0	0	411.414	2.200	50	5		HEBARN
CCN(CC)C(=O)CSc1nnc(CNC(=O)c2cccc([N+](=O)[O-])c2C)o1	ZINC000010385673	569254424	/nfs/dbraw/zinc/25/44/24/569254424.db2.gz	CTBKOXAKRNHBTB-UHFFFAOYSA-N	0	0	407.452	2.177	50	5		HEBARN
CN1CCN(S(=O)(=O)c2ccc(Sc3nccn3C3CC3)c([N+](=O)[O-])c2)CC1	ZINC000014322493	569259491	/nfs/dbraw/zinc/25/94/91/569259491.db2.gz	TVRVMCJDSCUTFM-UHFFFAOYSA-N	0	0	423.520	2.214	50	5		HEBARN
Cn1c(=O)ccn(CC(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)c1=O	ZINC000089741026	569263316	/nfs/dbraw/zinc/26/33/16/569263316.db2.gz	CDDPBYGLNBBKPM-UHFFFAOYSA-N	0	0	418.456	2.307	50	5		HEBARN
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cn3cnc([N+](=O)[O-])n3)c2C(N)=O)C1	ZINC000002092754	569280332	/nfs/dbraw/zinc/28/03/32/569280332.db2.gz	XSBMUSBPPPNFRA-SECBINFHSA-N	0	0	406.468	2.136	50	5		HEBARN
Cc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CNC(=O)c2ccccc2F)c1C	ZINC000007778230	569308840	/nfs/dbraw/zinc/30/88/40/569308840.db2.gz	YVMSOAYUHJBEGV-UHFFFAOYSA-N	0	0	403.366	2.262	50	5		HEBARN
O=C(c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000002357183	569385464	/nfs/dbraw/zinc/38/54/64/569385464.db2.gz	BQXPFIGUQQOBMF-UHFFFAOYSA-N	0	0	409.851	2.395	50	5		HEBARN
O=C(CCN1CCOC1=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000055110864	569389475	/nfs/dbraw/zinc/38/94/75/569389475.db2.gz	PTGFZLMCAPKBMN-UHFFFAOYSA-N	0	0	416.356	2.105	50	5		HEBARN
O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O	ZINC000008861259	569390615	/nfs/dbraw/zinc/39/06/15/569390615.db2.gz	QWVLTYHZGVVMPD-SNVBAGLBSA-N	0	0	402.388	2.079	50	5		HEBARN
COc1ccc(COC[C@H](O)Cn2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2=O)cc1	ZINC000078729274	569395320	/nfs/dbraw/zinc/39/53/20/569395320.db2.gz	RPNBODNDAIXVKZ-LJQANCHMSA-N	0	0	413.430	2.442	50	5		HEBARN
O=C(O[C@H]1OCCO[C@H]1OC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]	ZINC000013301119	569410588	/nfs/dbraw/zinc/41/05/88/569410588.db2.gz	HPFUZJJKDBHOCR-HDICACEKSA-N	0	0	418.314	2.216	50	5		HEBARN
Cc1nn(CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c(C)c1[N+](=O)[O-]	ZINC000040025009	571140213	/nfs/dbraw/zinc/14/02/13/571140213.db2.gz	WMVVPXZFPAHUEY-UHFFFAOYSA-N	0	0	421.479	2.221	50	5		HEBARN
O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N(Cc1ccco1)CC(F)(F)F	ZINC000008883934	571141051	/nfs/dbraw/zinc/14/10/51/571141051.db2.gz	BKMXWDBHAKAJHV-UHFFFAOYSA-N	0	0	411.292	2.375	50	5		HEBARN
CCOc1ccc(C(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-]	ZINC000040059625	571146614	/nfs/dbraw/zinc/14/66/14/571146614.db2.gz	KIAMUHUPAYVYEV-ZDUSSCGKSA-N	0	0	408.436	2.110	50	5		HEBARN
O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C(=O)N1Cc1ccccc1	ZINC000008974816	571197799	/nfs/dbraw/zinc/19/77/99/571197799.db2.gz	DWEUHKZXUGFAPK-XMSQKQJNSA-N	0	0	420.425	2.385	50	5		HEBARN
CCN(CC)C(=O)[C@H]1CSCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1	ZINC000069483926	571228526	/nfs/dbraw/zinc/22/85/26/571228526.db2.gz	HSFLMHYMGNVYGA-MRXNPFEDSA-N	0	0	403.464	2.164	50	5		HEBARN
Cc1c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2)sc2[nH]c(C)nc(=O)c12	ZINC000009223788	571238695	/nfs/dbraw/zinc/23/86/95/571238695.db2.gz	RKKCOAQVQUTGTL-UHFFFAOYSA-N	0	0	402.388	2.305	50	5		HEBARN
CC(=O)N1c2ccccc2Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000009359135	571251438	/nfs/dbraw/zinc/25/14/38/571251438.db2.gz	PRVNTGURRZCMPW-SFHVURJKSA-N	0	0	422.397	2.240	50	5		HEBARN
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1	ZINC000009507103	571263681	/nfs/dbraw/zinc/26/36/81/571263681.db2.gz	NHGOUSWTBCZVAH-UHFFFAOYSA-N	0	0	420.447	2.121	50	5		HEBARN
COc1cccc(-c2n[nH]c(=O)c3c2[C@@H](c2cccc([N+](=O)[O-])c2)n2nnnc2N3)c1	ZINC000010296837	571299631	/nfs/dbraw/zinc/29/96/31/571299631.db2.gz	OWYDTSQKCKMPNY-QGZVFWFLSA-N	0	0	418.373	2.447	50	5		HEBARN
O=C(c1cccs1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1	ZINC000004144151	132272253	/nfs/dbraw/zinc/27/22/53/132272253.db2.gz	GIWNJCDDIJLUFM-UHFFFAOYSA-N	0	0	402.476	2.455	50	5		HEBARN
CCCN1C(=O)N(C)C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C1=O	ZINC000004594358	132279493	/nfs/dbraw/zinc/27/94/93/132279493.db2.gz	VNWBFPSBFQSRSG-UZLBHIALSA-N	0	0	400.435	2.327	50	5		HEBARN
COc1ccc(S(=O)(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1OC	ZINC000004703622	132284058	/nfs/dbraw/zinc/28/40/58/132284058.db2.gz	GWOXUHAJOLTASY-UHFFFAOYSA-N	0	0	407.448	2.123	50	5		HEBARN
O=C(COc1ccccc1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000005243425	132304098	/nfs/dbraw/zinc/30/40/98/132304098.db2.gz	BAJAWQSDJHZFAB-UHFFFAOYSA-N	0	0	400.460	2.197	50	5		HEBARN
O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc2c(c1)OCO2	ZINC000006257557	132310040	/nfs/dbraw/zinc/31/00/40/132310040.db2.gz	HBPHUHKWZNVXFV-UHFFFAOYSA-N	0	0	414.443	2.160	50	5		HEBARN
C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=S)N(C4CC4)C3=O)[C@@H]2C1	ZINC000008739145	132332778	/nfs/dbraw/zinc/33/27/78/132332778.db2.gz	FOKAVCWXEQFMQC-BFKBOQTRSA-N	0	0	414.487	2.148	50	5		HEBARN
COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(NS(=O)(=O)c2ccccc2)CC1	ZINC000012537191	132362296	/nfs/dbraw/zinc/36/22/96/132362296.db2.gz	LHSFOBKCXPZOQI-UHFFFAOYSA-N	0	0	419.459	2.329	50	5		HEBARN
CCOc1ccc(/C=c2\sc3n(c2=O)CN(c2cccc([N+](=O)[O-])c2)CN=3)cc1	ZINC000013810160	132459448	/nfs/dbraw/zinc/45/94/48/132459448.db2.gz	XXPHGJNZOBSZQL-ZDLGFXPLSA-N	0	0	410.455	2.100	50	5		HEBARN
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(N3CCC[C@@H](CO)C3)c([N+](=O)[O-])c2)C1	ZINC000015210072	132461380	/nfs/dbraw/zinc/46/13/80/132461380.db2.gz	GXIQHGJPCNMDLY-BZUAXINKSA-N	0	0	411.524	2.470	50	5		HEBARN
C[C@@H]1CCCCN1S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1	ZINC000027967901	132492179	/nfs/dbraw/zinc/49/21/79/132492179.db2.gz	JOMBHQNRSVRRKW-OAHLLOKOSA-N	0	0	419.507	2.384	50	5		HEBARN
CCN(CC)S(=O)(=O)c1ccc(N2CCc3nc(N)sc3C2)c([N+](=O)[O-])c1	ZINC000032916214	520800733	/nfs/dbraw/zinc/80/07/33/520800733.db2.gz	QHHVPRVNHZAXMO-UHFFFAOYSA-N	0	0	411.509	2.227	50	5		HEBARN
CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCn1nnc2ccccc2c1=O	ZINC000032842250	523185499	/nfs/dbraw/zinc/18/54/99/523185499.db2.gz	JBRBDMUOIJTOBV-UHFFFAOYSA-N	0	0	401.810	2.402	50	5		HEBARN
CC[C@]1(c2cnn(C)c2)NC(=O)N(Cc2ccc(Br)c([N+](=O)[O-])c2)C1=O	ZINC000225749720	523629881	/nfs/dbraw/zinc/62/98/81/523629881.db2.gz	NGVPVQUEOBCOKZ-MRXNPFEDSA-N	0	0	422.239	2.448	50	5		HEBARN
COCCN(CC(=O)Nc1ncc(C)s1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1	ZINC000040368375	523656297	/nfs/dbraw/zinc/65/62/97/523656297.db2.gz	WXXBYJCRZBMCHO-VMPITWQZSA-N	0	0	404.448	2.487	50	5		HEBARN
Cc1cccc(C(=O)N2CCCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1	ZINC000032771390	524173845	/nfs/dbraw/zinc/17/38/45/524173845.db2.gz	CWVHKPOAHCFOTP-UHFFFAOYSA-N	0	0	403.460	2.440	50	5		HEBARN
Cc1ccc([C@@H](CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)N2CCOCC2)o1	ZINC000032848042	525762426	/nfs/dbraw/zinc/76/24/26/525762426.db2.gz	MYVNZRHUUUHSFU-QGZVFWFLSA-N	0	0	409.464	2.156	50	5		HEBARN
Cc1ccc(C(=O)N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)cc1[N+](=O)[O-]	ZINC000024096779	526112682	/nfs/dbraw/zinc/11/26/82/526112682.db2.gz	MBJFBBPTZKGHBM-UHFFFAOYSA-N	0	0	407.430	2.098	50	5		HEBARN
COc1ccc(OC)c(Nc2nc(N3C[C@@H](C)O[C@@H](C)C3)nc(N)c2[N+](=O)[O-])c1	ZINC000013748905	558862983	/nfs/dbraw/zinc/86/29/83/558862983.db2.gz	KXZGQNQAXAOTKT-PHIMTYICSA-N	0	0	404.427	2.341	50	5		HEBARN
O=C(/C=C/c1ccccc1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000004730844	559023065	/nfs/dbraw/zinc/02/30/65/559023065.db2.gz	FYGJRBDDUUDPFE-MDZDMXLPSA-N	0	0	401.444	2.141	50	5		HEBARN
C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1cccs1)N1CCN(C)CC1	ZINC000023181883	559031669	/nfs/dbraw/zinc/03/16/69/559031669.db2.gz	LKACAHQFTOBJDC-KBXCAEBGSA-N	0	0	424.548	2.312	50	5		HEBARN
CCOCCCn1c(=N)c(C(=O)Nc2cc(C)on2)cc2c1nc1ccccn1c2=O	ZINC000100956293	559142261	/nfs/dbraw/zinc/14/22/61/559142261.db2.gz	URCGZLHLMCOMSH-UHFFFAOYSA-N	0	0	422.445	2.104	50	5		HEBARN
CCOC(=O)C1CCN(C(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1	ZINC000004949594	559212960	/nfs/dbraw/zinc/21/29/60/559212960.db2.gz	WEIMUQZUAGTJPN-UHFFFAOYSA-N	0	0	417.462	2.249	50	5		HEBARN
O=C(c1cc(-c2ccccc2)n[nH]1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c([N+](=O)[O-])ccc12	ZINC000409413571	559250789	/nfs/dbraw/zinc/25/07/89/559250789.db2.gz	NXCGWIHSFLVTSL-DZGCQCFKSA-N	0	0	405.414	2.406	50	5		HEBARN
Cc1ccc(-n2c3nc(-c4ccc([N+](=O)[O-])cc4)nc(C(N)=O)c3[nH]c2=O)cc1C	ZINC000005143556	559252105	/nfs/dbraw/zinc/25/21/05/559252105.db2.gz	RTWPFIOUDOGIFW-UHFFFAOYSA-N	0	0	404.386	2.400	50	5		HEBARN
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)cc1	ZINC000003517541	560595992	/nfs/dbraw/zinc/59/59/92/560595992.db2.gz	LJHZLNFPMUFDFS-UHFFFAOYSA-N	0	0	403.460	2.358	50	5		HEBARN
CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1ccc(F)cc1[N+](=O)[O-]	ZINC000006376967	560729161	/nfs/dbraw/zinc/72/91/61/560729161.db2.gz	GGJBTAWSWJLKFE-INIZCTEOSA-N	0	0	407.354	2.263	50	5		HEBARN
Cc1cccc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1[N+](=O)[O-]	ZINC000017846041	560729329	/nfs/dbraw/zinc/72/93/29/560729329.db2.gz	CKONTRNKSVJQHL-UHFFFAOYSA-N	0	0	403.460	2.191	50	5		HEBARN
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H]3C=CC=NN3[C@@H](C(=O)C(C)(C)C)[C@H]2C1=O	ZINC000018141997	560779709	/nfs/dbraw/zinc/77/97/09/560779709.db2.gz	MLVLTNRIXBWLPR-LUKYLMHMSA-N	0	0	410.430	2.232	50	5		HEBARN
COc1cccc(C2=NO[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(O)=C23)c1OC	ZINC000018209891	560784384	/nfs/dbraw/zinc/78/43/84/560784384.db2.gz	UWXKKHUMNBVSTH-QAPCUYQASA-N	0	0	411.370	2.213	50	5		HEBARN
COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(O)=C23)c(OC)c1	ZINC000101235961	560789428	/nfs/dbraw/zinc/78/94/28/560789428.db2.gz	BRJUXKBPZYTFHY-AEFFLSMTSA-N	0	0	411.370	2.213	50	5		HEBARN
COC(=O)/C=C1/SCC(=O)N1CCCOC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000102771633	560825201	/nfs/dbraw/zinc/82/52/01/560825201.db2.gz	UTMAJPFQDRKOHX-RIYZIHGNSA-N	0	0	414.823	2.385	50	5		HEBARN
C[C@H]1CN(C(=O)C2CCN(Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)C[C@H](C)O1	ZINC000048274206	568434141	/nfs/dbraw/zinc/43/41/41/568434141.db2.gz	ASDAZMZQXLDOPD-GJZGRUSLSA-N	0	0	401.467	2.250	50	5		HEBARN
O=C(NCc1ccc(-n2cncn2)nc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000048300856	568437353	/nfs/dbraw/zinc/43/73/53/568437353.db2.gz	YEHWEKGADDCUIN-UHFFFAOYSA-N	0	0	407.434	2.103	50	5		HEBARN
CN(C)C(=O)COc1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1	ZINC000024625771	568441067	/nfs/dbraw/zinc/44/10/67/568441067.db2.gz	MWQREFAIZJIARK-UHFFFAOYSA-N	0	0	409.402	2.500	50	5		HEBARN
COC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(S1)SC(C(=O)OC)=C(C)N2C	ZINC000020442359	568607768	/nfs/dbraw/zinc/60/77/68/568607768.db2.gz	OQLYXYJFMWNQAW-INIZCTEOSA-N	0	0	424.460	2.329	50	5		HEBARN
CCCNC(=O)C1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1	ZINC000024992177	568711318	/nfs/dbraw/zinc/71/13/18/568711318.db2.gz	JZBQYIRNBPSAGE-UHFFFAOYSA-N	0	0	403.888	2.484	50	5		HEBARN
COc1ccc(N2C(=S)N(c3ccc([N+](=O)[O-])cc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000012421623	568720997	/nfs/dbraw/zinc/72/09/97/568720997.db2.gz	RCSJUGSZMPORPK-IAGOWNOFSA-N	0	0	419.484	2.381	50	5		HEBARN
COC(=O)c1ccc(OCC(=O)Nc2cc(OC)c(OC)c(OC)c2)c([N+](=O)[O-])c1	ZINC000022222994	568765468	/nfs/dbraw/zinc/76/54/68/568765468.db2.gz	IMHSBLVZLBYLFY-UHFFFAOYSA-N	0	0	420.374	2.425	50	5		HEBARN
C[C@H](C[S@@](C)=O)NC(=O)C(C)(C)Nc1ccc(Br)cc1[N+](=O)[O-]	ZINC000225734105	568780104	/nfs/dbraw/zinc/78/01/04/568780104.db2.gz	LENFCZIZRLCRFD-XQHREBAHSA-N	0	0	406.302	2.431	50	5		HEBARN
COCCN1C=C(C(=O)OC)C(c2ccc(Cl)c([N+](=O)[O-])c2)C(C(=O)OC)=C1	ZINC000002805701	568810966	/nfs/dbraw/zinc/81/09/66/568810966.db2.gz	RSGAAPZMZPNREY-UHFFFAOYSA-N	0	0	410.810	2.408	50	5		HEBARN
COc1cc(NC(=O)COC(=O)CNC(=O)C2CCCCC2)c(C)cc1[N+](=O)[O-]	ZINC000005862448	568826508	/nfs/dbraw/zinc/82/65/08/568826508.db2.gz	BKDZIVSMMNECSJ-UHFFFAOYSA-N	0	0	407.423	2.090	50	5		HEBARN
C[C@@H]1CN(C(=S)S[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)C[C@H](C)O1	ZINC000227003809	568826911	/nfs/dbraw/zinc/82/69/11/568826911.db2.gz	PAXVYQBQXSRDCW-WDMOLILDSA-N	0	0	409.489	2.354	50	5		HEBARN
CCOc1ccc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c([N+](=O)[O-])c1	ZINC000005869516	568827173	/nfs/dbraw/zinc/82/71/73/568827173.db2.gz	GOASMIITLQNJIE-BUXKBTBVSA-N	0	0	404.423	2.433	50	5		HEBARN
COc1ccc(OC)c2c1CN(Cn1cnc(-c3ccc([N+](=O)[O-])cc3)n1)C[C@@H]2O	ZINC000029543593	568827743	/nfs/dbraw/zinc/82/77/43/568827743.db2.gz	LDVQRGCUVLSDLS-INIZCTEOSA-N	0	0	411.418	2.377	50	5		HEBARN
CCCN1C(=S)N[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)N2CCOCC2)=C1C	ZINC000005938046	568830996	/nfs/dbraw/zinc/83/09/96/568830996.db2.gz	IIBMJVXFBTTWTI-KRWDZBQOSA-N	0	0	404.492	2.369	50	5		HEBARN
O=C(NN1C(=O)c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C1=O)c1ccc(O)cc1	ZINC000003067060	568852591	/nfs/dbraw/zinc/85/25/91/568852591.db2.gz	RMLNGMYDPRHQOF-UHFFFAOYSA-N	0	0	422.309	2.303	50	5		HEBARN
CC(C)CCC[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-]	ZINC000029939683	568853291	/nfs/dbraw/zinc/85/32/91/568853291.db2.gz	KQHCJKRQGGUXER-CYBMUJFWSA-N	0	0	421.541	2.338	50	5		HEBARN
C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000057847959	568863436	/nfs/dbraw/zinc/86/34/36/568863436.db2.gz	YPUFMMOZMLLMTL-OAHLLOKOSA-N	0	0	403.483	2.264	50	5		HEBARN
CCc1nc(CN2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)cs1	ZINC000030571495	568871856	/nfs/dbraw/zinc/87/18/56/568871856.db2.gz	XYALUWPTUYUDTL-UHFFFAOYSA-N	0	0	410.521	2.429	50	5		HEBARN
O=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000003337885	568883095	/nfs/dbraw/zinc/88/30/95/568883095.db2.gz	NVFLCTYHASMPBJ-FQEVSTJZSA-N	0	0	411.370	2.191	50	5		HEBARN
CNc1ccc([N+](=O)[O-])cc1C(=O)OCCOc1ccc(S(=O)(=O)N(C)C)cc1	ZINC000012641454	568885395	/nfs/dbraw/zinc/88/53/95/568885395.db2.gz	QNKAKWYKVKGJPQ-UHFFFAOYSA-N	0	0	423.447	2.123	50	5		HEBARN
CS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)CCC3)cc1[N+](=O)[O-]	ZINC000003405342	568897076	/nfs/dbraw/zinc/89/70/76/568897076.db2.gz	YNBTYGSHPQQZMD-UHFFFAOYSA-N	0	0	418.427	2.283	50	5		HEBARN
COc1ccc(-c2nc3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n3n2)cc1OC	ZINC000001316691	568913700	/nfs/dbraw/zinc/91/37/00/568913700.db2.gz	IMXHGNYOPSCZAK-SXGWCWSVSA-N	0	0	410.411	2.291	50	5		HEBARN
Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)nc2n1	ZINC000003542206	568913779	/nfs/dbraw/zinc/91/37/79/568913779.db2.gz	WDYPWXRHCUXTSD-UHFFFAOYSA-N	0	0	404.770	2.098	50	5		HEBARN
C[C@@H](OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(=O)N1CCc2ccccc21	ZINC000003544912	568914202	/nfs/dbraw/zinc/91/42/02/568914202.db2.gz	ANEKJDLSMZDSGT-GFCCVEGCSA-N	0	0	418.427	2.133	50	5		HEBARN
O=C(NC1CC1)c1ccc(N2CCN(Cc3cn4ccccc4n3)CC2)c([N+](=O)[O-])c1	ZINC000058489149	568921042	/nfs/dbraw/zinc/92/10/42/568921042.db2.gz	VAFDMPFSFJVOSY-UHFFFAOYSA-N	0	0	420.473	2.457	50	5		HEBARN
CC[C@@H](C)Sc1nc(-c2ccc([N+](=O)[O-])cc2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000004139147	568945947	/nfs/dbraw/zinc/94/59/47/568945947.db2.gz	UDTWEPXIUFIUOZ-SNVBAGLBSA-N	0	0	401.448	2.493	50	5		HEBARN
COCCOC(=O)C1=C(C)Nc2[nH]c(=S)[nH]c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000008398416	568999541	/nfs/dbraw/zinc/99/95/41/568999541.db2.gz	AXPHJROUDHHVDC-CYBMUJFWSA-N	0	0	418.431	2.362	50	5		HEBARN
COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000006119979	569005178	/nfs/dbraw/zinc/00/51/78/569005178.db2.gz	YQVQOXQRNXHRSE-UHFFFAOYSA-N	0	0	415.324	2.439	50	5		HEBARN
O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000016320105	569031319	/nfs/dbraw/zinc/03/13/19/569031319.db2.gz	MRUPWXIQVONASA-UHFFFAOYSA-N	0	0	422.441	2.320	50	5		HEBARN
CN(Cc1ccccc1)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-]	ZINC000035593249	569045480	/nfs/dbraw/zinc/04/54/80/569045480.db2.gz	WBEXMZRIFVVGQP-UHFFFAOYSA-N	0	0	404.492	2.167	50	5		HEBARN
CCc1cc(NC[C@H](Cc2cnn(C)c2)C(N)=O)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000089282901	569057208	/nfs/dbraw/zinc/05/72/08/569057208.db2.gz	CIQUULPWVZTXNE-HNNXBMFYSA-N	0	0	409.450	2.104	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1	ZINC000089518854	569062667	/nfs/dbraw/zinc/06/26/67/569062667.db2.gz	PHCUCRZMSHHYEJ-PMUMKWKESA-N	0	0	416.478	2.406	50	5		HEBARN
CCOc1ccccc1NC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000016693519	569070478	/nfs/dbraw/zinc/07/04/78/569070478.db2.gz	CPSJWNQTPHFRIZ-UHFFFAOYSA-N	0	0	423.447	2.407	50	5		HEBARN
COc1cccc2c1ccn2CC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c([N+](=O)[O-])ccc12	ZINC000524731221	569212302	/nfs/dbraw/zinc/21/23/02/569212302.db2.gz	ONHLVODYGJVFBR-LSDHHAIUSA-N	0	0	422.441	2.366	50	5		HEBARN
O=C(COc1ccc([N+](=O)[O-])cc1)OCC(=O)c1cc2c3c(c1)CCCN3C(=O)C2	ZINC000007734812	569304575	/nfs/dbraw/zinc/30/45/75/569304575.db2.gz	GRPFQLQUGYYTLA-UHFFFAOYSA-N	0	0	410.382	2.235	50	5		HEBARN
Cc1ccc(NCCCNC(=O)[C@@H]2COCCN2CC(F)(F)F)c([N+](=O)[O-])c1	ZINC000253404161	569365790	/nfs/dbraw/zinc/36/57/90/569365790.db2.gz	GJLMFXYMVZJRRJ-HNNXBMFYSA-N	0	0	404.389	2.085	50	5		HEBARN
CCOc1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2Cl)c([N+](=O)[O-])c1	ZINC000008868523	569390702	/nfs/dbraw/zinc/39/07/02/569390702.db2.gz	LPYWUTBJMCFYGF-UHFFFAOYSA-N	0	0	400.800	2.093	50	5		HEBARN
Cc1cccn2cc(CN3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)nc12	ZINC000013038559	569407589	/nfs/dbraw/zinc/40/75/89/569407589.db2.gz	DLXCKPSUTUJTGL-UHFFFAOYSA-N	0	0	415.475	2.057	50	5		HEBARN
CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N(C)C(=O)N1C	ZINC000013041410	569407676	/nfs/dbraw/zinc/40/76/76/569407676.db2.gz	QFRHTDXSBONCNB-MRXNPFEDSA-N	0	0	408.842	2.419	50	5		HEBARN
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)cc1	ZINC000013148040	569409981	/nfs/dbraw/zinc/40/99/81/569409981.db2.gz	WNHUSYANTRQVLW-UHFFFAOYSA-N	0	0	421.431	2.259	50	5		HEBARN
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1	ZINC000019851196	569431113	/nfs/dbraw/zinc/43/11/13/569431113.db2.gz	UJRSELYEFANRFK-UHFFFAOYSA-N	0	0	418.475	2.060	50	5		HEBARN
COC(=O)c1cn([C@@H]2CCCC[C@@H]2NC(=O)CCNc2ccccc2[N+](=O)[O-])nn1	ZINC000040152496	571199997	/nfs/dbraw/zinc/19/99/97/571199997.db2.gz	FFRUZYFDYVYAKP-GOEBONIOSA-N	0	0	416.438	2.075	50	5		HEBARN
C[C@H](OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cn1	ZINC000009316300	571247491	/nfs/dbraw/zinc/24/74/91/571247491.db2.gz	LGPAXUMUWINNLW-NSHDSACASA-N	0	0	420.809	2.334	50	5		HEBARN
COc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C)CC2)cc1OC	ZINC000004703639	132284019	/nfs/dbraw/zinc/28/40/19/132284019.db2.gz	DDBJSPIVHBNPLN-UHFFFAOYSA-N	0	0	421.475	2.431	50	5		HEBARN
NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C/C=C/c2ccccc2)CC1	ZINC000007141332	132322573	/nfs/dbraw/zinc/32/25/73/132322573.db2.gz	UFOCMMGUUOGWSC-QPJJXVBHSA-N	0	0	402.476	2.078	50	5		HEBARN
COC(=O)c1ccc(N2CCN(C(=S)NCc3ccco3)CC2)c([N+](=O)[O-])c1	ZINC000008855478	132333787	/nfs/dbraw/zinc/33/37/87/132333787.db2.gz	QAFASEOWQYDJAC-UHFFFAOYSA-N	0	0	404.448	2.171	50	5		HEBARN
CC[C@H](C)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C1=O	ZINC000008994237	132334610	/nfs/dbraw/zinc/33/46/10/132334610.db2.gz	FTULSNBLRBFGCO-BXJCWQANSA-N	0	0	400.435	2.373	50	5		HEBARN
Cc1ccc(C(=O)OCC(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cn1	ZINC000012510730	132361134	/nfs/dbraw/zinc/36/11/34/132361134.db2.gz	ARNHWZXHHBFWTI-UHFFFAOYSA-N	0	0	418.837	2.457	50	5		HEBARN
O=C(NCCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NC1CCCCC1	ZINC000012538021	132362305	/nfs/dbraw/zinc/36/23/05/132362305.db2.gz	UXBJTCFRIRTQIX-UHFFFAOYSA-N	0	0	403.483	2.265	50	5		HEBARN
COc1ccccc1N1C(=O)C[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O	ZINC000018093519	132465890	/nfs/dbraw/zinc/46/58/90/132465890.db2.gz	SGJXIYTUANEXGE-SFHVURJKSA-N	0	0	410.430	2.058	50	5		HEBARN
COC(=O)C1=C(C(=O)OC)N(c2ccccc2)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000032936420	522864447	/nfs/dbraw/zinc/86/44/47/522864447.db2.gz	VHFZRKKVGWNSJG-MRXNPFEDSA-N	0	0	411.370	2.466	50	5		HEBARN
CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000032966908	523085103	/nfs/dbraw/zinc/08/51/03/523085103.db2.gz	VSRLPMRTBAGVKO-MRXNPFEDSA-N	0	0	413.430	2.343	50	5		HEBARN
C[C@@H]1CN(C(=O)C2CCN(Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)C[C@@H](C)O1	ZINC000045801707	524760318	/nfs/dbraw/zinc/76/03/18/524760318.db2.gz	XDHVQWQPXFRAMT-HUUCEWRRSA-N	0	0	401.467	2.250	50	5		HEBARN
C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000042236755	524875637	/nfs/dbraw/zinc/87/56/37/524875637.db2.gz	LCAVERBOYSYSMP-CRVDFBCUSA-N	0	0	408.458	2.462	50	5		HEBARN
O=C(C1=C2C(O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2CCCN12)c1ccccc1	ZINC000229994774	558500633	/nfs/dbraw/zinc/50/06/33/558500633.db2.gz	QRAXTPMBZOPHQS-HCXYKTFWSA-N	0	0	405.410	2.430	50	5		HEBARN
Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000011000723	558648325	/nfs/dbraw/zinc/64/83/25/558648325.db2.gz	WKHVZRZUZYPSBI-UHFFFAOYSA-N	0	0	403.460	2.440	50	5		HEBARN
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000004569321	558737172	/nfs/dbraw/zinc/73/71/72/558737172.db2.gz	COSDWOFECOBWQA-QGZVFWFLSA-N	0	0	403.460	2.486	50	5		HEBARN
C[C@H](OC(=O)C1=COCCO1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	ZINC000011444760	559076326	/nfs/dbraw/zinc/07/63/26/559076326.db2.gz	DEJXYNQDAYXTKQ-JTQLQIEISA-N	0	0	405.388	2.477	50	5		HEBARN
COc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-]	ZINC000005020730	559229233	/nfs/dbraw/zinc/22/92/33/559229233.db2.gz	AEYRGZBUSYACGI-UHFFFAOYSA-N	0	0	415.402	2.132	50	5		HEBARN
C[C@@H](OC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000005239775	560548928	/nfs/dbraw/zinc/54/89/28/560548928.db2.gz	OKVCUKYWXGJIKC-CHWSQXEVSA-N	0	0	401.375	2.107	50	5		HEBARN
CC(=O)Nc1ccc(NC(=O)Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)cc1	ZINC000005400835	560583869	/nfs/dbraw/zinc/58/38/69/560583869.db2.gz	DXVVVFVOXZVJHZ-UHFFFAOYSA-N	0	0	407.386	2.416	50	5		HEBARN
CCn1c(=N)c(S(=O)(=O)c2ccc(F)cc2)cc2c1nc1ccc(C)cn1c2=O	ZINC000100943701	560763559	/nfs/dbraw/zinc/76/35/59/560763559.db2.gz	HTPMRFJBGMWWSJ-UHFFFAOYSA-N	0	0	412.446	2.429	50	5		HEBARN
COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]23)cc1OC	ZINC000101362110	560792735	/nfs/dbraw/zinc/79/27/35/560792735.db2.gz	YJXOSFDDGICVCQ-FUHWJXTLSA-N	0	0	411.370	2.213	50	5		HEBARN
COc1cccc(C2=NO[C@H]3C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(O)=C23)c1OC	ZINC000102890016	560832914	/nfs/dbraw/zinc/83/29/14/560832914.db2.gz	HFKWXGCJPXGDAT-CRAIPNDOSA-N	0	0	411.370	2.213	50	5		HEBARN
COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(=O)[C@@H]23)cc1OC	ZINC000102895285	560833292	/nfs/dbraw/zinc/83/32/92/560833292.db2.gz	PGDCRVUWGQCJBE-FUHWJXTLSA-N	0	0	411.370	2.213	50	5		HEBARN
Cc1c(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)cccc1[N+](=O)[O-]	ZINC000005721632	560852826	/nfs/dbraw/zinc/85/28/26/560852826.db2.gz	PNEUUVUSUINEIA-UHFFFAOYSA-N	0	0	418.475	2.237	50	5		HEBARN
CC1CCN(S(=O)(=O)c2ccc(NC(=O)CCn3cnc([N+](=O)[O-])c3)cc2)CC1	ZINC000024598235	560873571	/nfs/dbraw/zinc/87/35/71/560873571.db2.gz	RREHJRUTPWDICT-UHFFFAOYSA-N	0	0	421.479	2.241	50	5		HEBARN
COCCn1c(=O)c2c(nc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCS2	ZINC000012140304	560890089	/nfs/dbraw/zinc/89/00/89/560890089.db2.gz	VPYURDIWEFBYSX-UHFFFAOYSA-N	0	0	422.488	2.177	50	5		HEBARN
CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1Cn1c(C)ncc1[N+](=O)[O-]	ZINC000048302788	568437819	/nfs/dbraw/zinc/43/78/19/568437819.db2.gz	VBANNHMLJFNHMX-UHFFFAOYSA-N	0	0	406.468	2.158	50	5		HEBARN
Cn1c(=O)c2c(n(C)c1=O)N=C1c3ccccc3C(=O)[C@H]1[C@@H]2c1cccc([N+](=O)[O-])c1	ZINC000000649631	568456669	/nfs/dbraw/zinc/45/66/69/568456669.db2.gz	AGRTXIWHJHQUKK-HOTGVXAUSA-N	0	0	416.393	2.071	50	5		HEBARN
O=C(C1=C2C(O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN12)c1ccccc1	ZINC000020231487	568595179	/nfs/dbraw/zinc/59/51/79/568595179.db2.gz	QRAXTPMBZOPHQS-MKXGPGLRSA-N	0	0	405.410	2.430	50	5		HEBARN
COc1cc(OC)cc(-c2cc(N)n(S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)c1	ZINC000020330733	568599309	/nfs/dbraw/zinc/59/93/09/568599309.db2.gz	IFLSCIPVYBSKNO-UHFFFAOYSA-N	0	0	404.404	2.295	50	5		HEBARN
O=C(Nc1ccccc1C(=O)NCCCN1CCOCC1)c1cccc([N+](=O)[O-])c1	ZINC000020413957	568604855	/nfs/dbraw/zinc/60/48/55/568604855.db2.gz	ZBZRFDRFKFJXGB-UHFFFAOYSA-N	0	0	412.446	2.299	50	5		HEBARN
Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1	ZINC000095447954	568612504	/nfs/dbraw/zinc/61/25/04/568612504.db2.gz	XVEKQOBMHCMYPZ-UHFFFAOYSA-N	0	0	403.413	2.215	50	5		HEBARN
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)c1nc2ccccn2c1[N+](=O)[O-]	ZINC000021674633	568737035	/nfs/dbraw/zinc/73/70/35/568737035.db2.gz	NALNJDWBWLDAOP-CQSZACIVSA-N	0	0	418.479	2.052	50	5		HEBARN
O=C(c1cccc(Cn2cc([N+](=O)[O-])cn2)c1)N1NC(C(F)F)=C[C@]1(O)C(F)F	ZINC000001018976	568762976	/nfs/dbraw/zinc/76/29/76/568762976.db2.gz	AQRKSBZZGMZPCJ-INIZCTEOSA-N	0	0	415.303	2.260	50	5		HEBARN
Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1[N+](=O)[O-]	ZINC000001150338	568774048	/nfs/dbraw/zinc/77/40/48/568774048.db2.gz	NNTXTHVPVPQVHI-UHFFFAOYSA-N	0	0	405.432	2.176	50	5		HEBARN
Cc1nn(CCCNC(=O)CCn2ncc([N+](=O)[O-])c2C)c(C)c1Br	ZINC000002793941	568809364	/nfs/dbraw/zinc/80/93/64/568809364.db2.gz	KPJWYRRRJZIOSP-UHFFFAOYSA-N	0	0	413.276	2.272	50	5		HEBARN
CCOC(=O)c1sc2ncn3nc(Cn4nc([N+](=O)[O-])cc4C)nc3c2c1C	ZINC000002791170	568809794	/nfs/dbraw/zinc/80/97/94/568809794.db2.gz	LSMHEEHEFAFNCK-UHFFFAOYSA-N	0	0	401.408	2.286	50	5		HEBARN
O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000002858509	568813263	/nfs/dbraw/zinc/81/32/63/568813263.db2.gz	NYRXBHXWMVTJCD-UHFFFAOYSA-N	0	0	408.411	2.272	50	5		HEBARN
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N(Cc1ccco1)CC(F)(F)F	ZINC000056825621	568817721	/nfs/dbraw/zinc/81/77/21/568817721.db2.gz	UXGXCRAPHHTJPB-UHFFFAOYSA-N	0	0	411.292	2.375	50	5		HEBARN
O=C(c1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000001178239	568819821	/nfs/dbraw/zinc/81/98/21/568819821.db2.gz	IUNZMFVEFYDOPK-UHFFFAOYSA-N	0	0	409.851	2.395	50	5		HEBARN
Cc1cccc([C@@H](CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)N2CCOCC2)c1	ZINC000029626575	568827981	/nfs/dbraw/zinc/82/79/81/568827981.db2.gz	GUIIEIMVDRPWDW-GOSISDBHSA-N	0	0	420.491	2.036	50	5		HEBARN
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccc([N+](=O)[O-])o1	ZINC000012488662	568838886	/nfs/dbraw/zinc/83/88/86/568838886.db2.gz	JJPNJLKDDOPGDO-UHFFFAOYSA-N	0	0	415.811	2.114	50	5		HEBARN
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)NCCCn1cccn1	ZINC000030171698	568858711	/nfs/dbraw/zinc/85/87/11/568858711.db2.gz	PEMACICKBXDWTM-INIZCTEOSA-N	0	0	407.858	2.406	50	5		HEBARN
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccccc1[N+](=O)[O-]	ZINC000015310275	568871899	/nfs/dbraw/zinc/87/18/99/568871899.db2.gz	QGAKEYPGQXTZPR-UHFFFAOYSA-N	0	0	405.432	2.176	50	5		HEBARN
COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3N3CCCN23)cc1	ZINC000019169607	568880197	/nfs/dbraw/zinc/88/01/97/568880197.db2.gz	LFJYIJPHPSWGEJ-QRVBRYPASA-N	0	0	408.414	2.139	50	5		HEBARN
C[C@@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1cccc(O)c1	ZINC000058281674	568908525	/nfs/dbraw/zinc/90/85/25/568908525.db2.gz	KHSXQMUYDRIDMU-CYBMUJFWSA-N	0	0	407.448	2.494	50	5		HEBARN
O=C(N[C@H](Cn1cncn1)c1ccccc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000058315556	568911014	/nfs/dbraw/zinc/91/10/14/568911014.db2.gz	VCSIOORXTOYNNP-GOSISDBHSA-N	0	0	422.445	2.194	50	5		HEBARN
COc1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1-n1nnnc1C	ZINC000058405386	568916552	/nfs/dbraw/zinc/91/65/52/568916552.db2.gz	HENSDPQOYOTOTR-UHFFFAOYSA-N	0	0	420.389	2.326	50	5		HEBARN
CCCN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-]	ZINC000084755176	568958268	/nfs/dbraw/zinc/95/82/68/568958268.db2.gz	CJOJKEXESBRWJU-ZDUSSCGKSA-N	0	0	410.452	2.052	50	5		HEBARN
CCN(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-]	ZINC000084761236	568958394	/nfs/dbraw/zinc/95/83/94/568958394.db2.gz	BJNTWOUAVQXRDF-UHFFFAOYSA-N	0	0	415.468	2.233	50	5		HEBARN
CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(c3c([N+](=O)[O-])ncn3C)CC2)cc1	ZINC000008337013	568993232	/nfs/dbraw/zinc/99/32/32/568993232.db2.gz	CQDVOBTVVJCYHE-CQSZACIVSA-N	0	0	407.496	2.353	50	5		HEBARN
C[C@@H]1CCC[C@H](C)N1C(=O)COC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000012871787	569013348	/nfs/dbraw/zinc/01/33/48/569013348.db2.gz	GRUFCQFSDVUXCF-TXEJJXNPSA-N	0	0	409.464	2.119	50	5		HEBARN
O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)C(F)F)cc1	ZINC000012876194	569013605	/nfs/dbraw/zinc/01/36/05/569013605.db2.gz	DQZHVNWLECSXPZ-CQSZACIVSA-N	0	0	400.359	2.055	50	5		HEBARN
CCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc([N+](=O)[O-])o2)c(=O)[nH]c1=O	ZINC000015934644	569022916	/nfs/dbraw/zinc/02/29/16/569022916.db2.gz	XWOPHRSJNAHICW-UHFFFAOYSA-N	0	0	407.427	2.113	50	5		HEBARN
COc1ccc(CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C2CC2)cc1	ZINC000026384883	569031692	/nfs/dbraw/zinc/03/16/92/569031692.db2.gz	NXMWUQUHYPDHMH-UHFFFAOYSA-N	0	0	409.398	2.391	50	5		HEBARN
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	ZINC000006331697	569044175	/nfs/dbraw/zinc/04/41/75/569044175.db2.gz	SKEZNLNWMOXATL-YDWXAUTNSA-N	0	0	410.386	2.462	50	5		HEBARN
COc1cc(CC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC	ZINC000006380782	569046242	/nfs/dbraw/zinc/04/62/42/569046242.db2.gz	ANCPTBKYGUHYIX-UHFFFAOYSA-N	0	0	404.375	2.345	50	5		HEBARN
C[C@@]1(NC(=O)COc2ccc([N+](=O)[O-])cc2Cc2ccccc2)CCS(=O)(=O)C1	ZINC000016458995	569052047	/nfs/dbraw/zinc/05/20/47/569052047.db2.gz	OKVCCKSUCYIRBR-HXUWFJFHSA-N	0	0	418.471	2.258	50	5		HEBARN
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000001774446	569052376	/nfs/dbraw/zinc/05/23/76/569052376.db2.gz	HNXNJEUONJUPCC-QGZVFWFLSA-N	0	0	412.358	2.498	50	5	biogenic	HEBARN
Cc1ccccc1CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-]	ZINC000036446971	569185092	/nfs/dbraw/zinc/18/50/92/569185092.db2.gz	WGKXDVDRVIAIST-UHFFFAOYSA-N	0	0	404.492	2.451	50	5		HEBARN
Cc1cccc(C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)c1[N+](=O)[O-]	ZINC000016964483	569268745	/nfs/dbraw/zinc/26/87/45/569268745.db2.gz	YPOKSYLUATYLTO-SFHVURJKSA-N	0	0	411.414	2.170	50	5		HEBARN
COC(=O)C(=O)N=c1sc2cc(C)ccc2n1CC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000252677444	569319695	/nfs/dbraw/zinc/31/96/95/569319695.db2.gz	YTRBANRAYQRPHR-UHFFFAOYSA-N	0	0	413.411	2.403	50	5		HEBARN
Cc1ccc(C(=O)N[C@H](C(N)=O)P(=O)(OC(C)C)OC(C)C)cc1[N+](=O)[O-]	ZINC000002283096	569364223	/nfs/dbraw/zinc/36/42/23/569364223.db2.gz	DXPGTRATEMAZEP-INIZCTEOSA-N	0	0	401.356	2.488	50	5		HEBARN
Cc1ccc2nc(NC(=N)NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc(C)c2c1	ZINC000002308224	569372069	/nfs/dbraw/zinc/37/20/69/569372069.db2.gz	UJYCWQCCAMAXKR-UHFFFAOYSA-N	0	0	400.420	2.480	50	5	aggregator	HEBARN
CCOc1ccc(NC(=O)c2nc(S(=O)(=O)CC)ncc2Cl)c([N+](=O)[O-])c1	ZINC000008868098	569390751	/nfs/dbraw/zinc/39/07/51/569390751.db2.gz	WORYASGELNKPKM-UHFFFAOYSA-N	0	0	414.827	2.483	50	5		HEBARN
COc1cc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc(OC)c1O	ZINC000019549407	569422885	/nfs/dbraw/zinc/42/28/85/569422885.db2.gz	ZGJGMVFRKZQSAO-UHFFFAOYSA-N	0	0	401.419	2.276	50	5		HEBARN
O=[N+]([O-])c1ccc(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000019889713	569433197	/nfs/dbraw/zinc/43/31/97/569433197.db2.gz	KJGQEMBWUGWVCX-UHFFFAOYSA-N	0	0	406.420	2.010	50	5		HEBARN
COc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1S(=O)(=O)N1CCCCC1	ZINC000008704782	571103170	/nfs/dbraw/zinc/10/31/70/571103170.db2.gz	KKHYIZFYEOUOEQ-UHFFFAOYSA-N	0	0	408.436	2.358	50	5		HEBARN
CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1CC1[N+](=O)[O-]	ZINC000040114818	571172511	/nfs/dbraw/zinc/17/25/11/571172511.db2.gz	BESCTAVNROOUCL-YJBOKZPZSA-N	0	0	424.523	2.311	50	5		HEBARN
O=c1c2cnn(-c3ccccc3[N+](=O)[O-])c2ncn1CCOc1cccc([N+](=O)[O-])c1	ZINC000040116960	571174456	/nfs/dbraw/zinc/17/44/56/571174456.db2.gz	RCFDAALZZXKIMD-UHFFFAOYSA-N	0	0	422.357	2.478	50	5		HEBARN
COc1cc(C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)c([N+](=O)[O-])cc1OC	ZINC000009569138	571268626	/nfs/dbraw/zinc/26/86/26/571268626.db2.gz	QKXKCLLFFFHFCQ-UHFFFAOYSA-N	0	0	421.431	2.404	50	5		HEBARN
C[C@H](CCc1ccccc1)NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000009667723	571278314	/nfs/dbraw/zinc/27/83/14/571278314.db2.gz	UWPCREPRJSASJQ-OAHLLOKOSA-N	0	0	405.476	2.498	50	5		HEBARN
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)C[C@@H]2C)cc1	ZINC000004703742	132284001	/nfs/dbraw/zinc/28/40/01/132284001.db2.gz	BVUYFAQFKAWAHJ-AWEZNQCLSA-N	0	0	418.475	2.453	50	5		HEBARN
Cc1cccc(N2CCN(c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)c(=O)n4C)CC2)c1C	ZINC000004857044	132290788	/nfs/dbraw/zinc/29/07/88/132290788.db2.gz	CBXNCWGLQSHPFK-UHFFFAOYSA-N	0	0	423.473	2.089	50	5		HEBARN
O=c1/c(=C/c2cccc(Cl)c2)sc2n1CN(c1ccc([N+](=O)[O-])cc1)CN=2	ZINC000005093999	132300751	/nfs/dbraw/zinc/30/07/51/132300751.db2.gz	SNHUHXAADJHWEK-SXGWCWSVSA-N	0	0	400.847	2.355	50	5		HEBARN
Cc1ccc(C(=O)NCCNC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cn1	ZINC000007367636	132324183	/nfs/dbraw/zinc/32/41/83/132324183.db2.gz	UAPKVMCDMDNYSY-UHFFFAOYSA-N	0	0	411.462	2.448	50	5		HEBARN
CCN(CC)S(=O)(=O)c1ccc(N2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1	ZINC000008177730	132328313	/nfs/dbraw/zinc/32/83/13/132328313.db2.gz	INWXXFYSIGCANP-UHFFFAOYSA-N	0	0	419.507	2.347	50	5		HEBARN
CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000008307882	132329250	/nfs/dbraw/zinc/32/92/50/132329250.db2.gz	XLRVVZDBRMYVCU-UHFFFAOYSA-N	0	0	416.409	2.281	50	5		HEBARN
O=C(c1ccccc1)N1CCN(C(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)CC1	ZINC000009056503	132335306	/nfs/dbraw/zinc/33/53/06/132335306.db2.gz	UGMJZIXBCMWWSK-UHFFFAOYSA-N	0	0	424.457	2.030	50	5		HEBARN
O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000014109200	132459881	/nfs/dbraw/zinc/45/98/81/132459881.db2.gz	DYSOHGCZFRUODE-UHFFFAOYSA-N	0	0	410.352	2.124	50	5		HEBARN
CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1c3ccccc3C=NN1[C@@H]2C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000043191173	521532165	/nfs/dbraw/zinc/53/21/65/521532165.db2.gz	OUFAZERCQOPLKE-RDGPPVDQSA-N	0	0	418.409	2.172	50	5		HEBARN
COC(=O)Cn1cc(S(=O)(=O)NCc2cccs2)c2cc([N+](=O)[O-])ccc21	ZINC000020558041	523402140	/nfs/dbraw/zinc/40/21/40/523402140.db2.gz	MROYWMDXRZABBW-UHFFFAOYSA-N	0	0	409.445	2.263	50	5		HEBARN
COc1ccccc1C(=O)Cn1cnc2c(cnn2-c2ccccc2[N+](=O)[O-])c1=O	ZINC000032831892	524337488	/nfs/dbraw/zinc/33/74/88/524337488.db2.gz	PHAGCGAHWSESDJ-UHFFFAOYSA-N	0	0	405.370	2.382	50	5		HEBARN
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(NC(=O)c2cnn(C)c2)CC1	ZINC000044811676	525988338	/nfs/dbraw/zinc/98/83/38/525988338.db2.gz	HVCLOMDLUWRTNC-CYBMUJFWSA-N	0	0	417.491	2.230	50	5		HEBARN
CCCN1C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)NC1=S	ZINC000009122834	535346771	/nfs/dbraw/zinc/34/67/71/535346771.db2.gz	AIXQXEUJEZHUCT-DNVCBOLYSA-N	0	0	402.476	2.150	50	5		HEBARN
CN1C(=O)N(C)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCc4ccccc4[C@H]32)C1=O	ZINC000008914407	536321058	/nfs/dbraw/zinc/32/10/58/536321058.db2.gz	NJGXHXICUJQOTH-SFHVURJKSA-N	0	0	420.425	2.292	50	5		HEBARN
COc1ccc2nc3c(cc2c1)c(=O)n(-c1ccccc1)c1c3c(=O)n(C)c(=O)n1C	ZINC000001036993	557151112	/nfs/dbraw/zinc/15/11/12/557151112.db2.gz	ZTYGWMOGPJGTMR-UHFFFAOYSA-N	0	0	414.421	2.098	50	5		HEBARN
Cc1nnnn1/C(=C/c1ccccc1)C(=O)OCC(=O)Nc1ccc(C)cc1[N+](=O)[O-]	ZINC000097664378	557841278	/nfs/dbraw/zinc/84/12/78/557841278.db2.gz	SEHPMPBGSBYCIT-WOJGMQOQSA-N	0	0	422.401	2.378	50	5		HEBARN
O=C(OCCN1C(=O)c2ccccc2S1(=O)=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000011028762	558691259	/nfs/dbraw/zinc/69/12/59/558691259.db2.gz	BBIVSURESQYZOX-UHFFFAOYSA-N	0	0	410.791	2.250	50	5		HEBARN
CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12	ZINC000016039102	558769891	/nfs/dbraw/zinc/76/98/91/558769891.db2.gz	FDZPDWQOFWXZEN-IYWMVGAKSA-N	0	0	418.409	2.371	50	5		HEBARN
COCCCNC(=O)c1cc2c(nc3ccc(C)cn3c2=O)n(C2CCCC2)c1=N	ZINC000016805163	558807360	/nfs/dbraw/zinc/80/73/60/558807360.db2.gz	IAGAYDMDBPJNLX-UHFFFAOYSA-N	0	0	409.490	2.318	50	5		HEBARN
Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)N2CCOCC2)c([N+](=O)[O-])c1	ZINC000023106833	559010254	/nfs/dbraw/zinc/01/02/54/559010254.db2.gz	YKMIEZAYMPRJJK-INIZCTEOSA-N	0	0	418.475	2.093	50	5		HEBARN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](c1cccs1)N1CCOCC1	ZINC000023106855	559010316	/nfs/dbraw/zinc/01/03/16/559010316.db2.gz	GZYMZHMORVBWBA-INIZCTEOSA-N	0	0	418.475	2.093	50	5		HEBARN
C[C@@H](NC(=O)/C=C\c1ccccc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000097990405	559010998	/nfs/dbraw/zinc/01/09/98/559010998.db2.gz	LCAVERBOYSYSMP-UUKWBXHYSA-N	0	0	408.458	2.462	50	5		HEBARN
COc1cc([N+](=O)[O-])ccc1NC(=S)N[C@@H](NC=O)C(Cl)(Cl)Cl	ZINC000004774804	559056995	/nfs/dbraw/zinc/05/69/95/559056995.db2.gz	KDPFVXLMKQUYHT-SECBINFHSA-N	0	0	401.659	2.332	50	5		HEBARN
O=C(NCC(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1)c1cccc([N+](=O)[O-])c1	ZINC000014202024	559156426	/nfs/dbraw/zinc/15/64/26/559156426.db2.gz	YIDTXBARZWZHNK-UHFFFAOYSA-N	0	0	411.414	2.152	50	5		HEBARN
CC[C@@H](OC(=O)CN1c2ccccc2C(=O)C1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000005007907	559226884	/nfs/dbraw/zinc/22/68/84/559226884.db2.gz	HUDFQTBOJDIANM-MRXNPFEDSA-N	0	0	411.370	2.085	50	5		HEBARN
O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000005087717	559243121	/nfs/dbraw/zinc/24/31/21/559243121.db2.gz	AASVFUYNMRKLEW-INIZCTEOSA-N	0	0	409.446	2.232	50	5		HEBARN
CCCCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(Cc2cccnc2)c1=N	ZINC000100622532	559244765	/nfs/dbraw/zinc/24/47/65/559244765.db2.gz	YBKQOWQTXAYIGN-UHFFFAOYSA-N	0	0	416.485	2.410	50	5	aggregator	HEBARN
CCN1C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[C@H](C)C[C@H]32)C(=O)N(C)C1=S	ZINC000248004777	559259117	/nfs/dbraw/zinc/25/91/17/559259117.db2.gz	BOBBKTLZLUOETE-APXLUKDGSA-N	0	0	416.503	2.348	50	5		HEBARN
CC(=O)c1ccc(NC(=O)COC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1	ZINC000003269925	560576357	/nfs/dbraw/zinc/57/63/57/560576357.db2.gz	MOVHGYGXEZKJJE-UHFFFAOYSA-N	0	0	413.386	2.018	50	5		HEBARN
COc1ccc(C2=NO[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(O)=C23)c(OC)c1	ZINC000104046702	560847878	/nfs/dbraw/zinc/84/78/78/560847878.db2.gz	CRTQVYUERQDKLA-SJLPKXTDSA-N	0	0	411.370	2.213	50	5		HEBARN
O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc(N[C@H]2CCCCNC2=O)c([N+](=O)[O-])c1	ZINC000104797942	560854884	/nfs/dbraw/zinc/85/48/84/560854884.db2.gz	VCCBHTUWNVRCPQ-LZWOXQAQSA-N	0	0	400.435	2.355	50	5		HEBARN
O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cn2cccnc2=O)c1	ZINC000047732416	568431106	/nfs/dbraw/zinc/43/11/06/568431106.db2.gz	JRTKMRUQDXSPNM-GOSISDBHSA-N	0	0	409.402	2.055	50	5		HEBARN
C[C@@H]1CN(C(=O)C2CCN(Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)C[C@@H](C)O1	ZINC000048274209	568434211	/nfs/dbraw/zinc/43/42/11/568434211.db2.gz	ASDAZMZQXLDOPD-HUUCEWRRSA-N	0	0	401.467	2.250	50	5		HEBARN
CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1	ZINC000095461112	568620487	/nfs/dbraw/zinc/62/04/87/568620487.db2.gz	RHCUJCXROSPYTK-GFCCVEGCSA-N	0	0	401.510	2.249	50	5		HEBARN
CC[C@@H](C)NC(=O)Cn1c2ccc(C)cc2c(=O)n(-c2cccc([N+](=O)[O-])c2)c1=O	ZINC000096318081	568727189	/nfs/dbraw/zinc/72/71/89/568727189.db2.gz	JDHRSSZEAZONPD-CQSZACIVSA-N	0	0	410.430	2.284	50	5		HEBARN
NS(=O)(=O)c1ccc(Br)c(C(=O)OCc2ccccc2[N+](=O)[O-])c1	ZINC000025128113	568750767	/nfs/dbraw/zinc/75/07/67/568750767.db2.gz	KYERYIJRCNDENF-UHFFFAOYSA-N	0	0	415.221	2.362	50	5		HEBARN
C[C@H]1CCCCN1S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1	ZINC000027967903	568774497	/nfs/dbraw/zinc/77/44/97/568774497.db2.gz	JOMBHQNRSVRRKW-HNNXBMFYSA-N	0	0	419.507	2.384	50	5		HEBARN
C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	ZINC000002617014	568785842	/nfs/dbraw/zinc/78/58/42/568785842.db2.gz	WIGSHJHQONPKGV-GFCCVEGCSA-N	0	0	418.427	2.133	50	5		HEBARN
Cc1c(NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2C)c(=O)n(-c2ccccc2)n1C	ZINC000002657707	568798279	/nfs/dbraw/zinc/79/82/79/568798279.db2.gz	YIEWXVZUDQYBDA-UHFFFAOYSA-N	0	0	424.413	2.497	50	5		HEBARN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(CCOc3cccc(F)c3)CC2)cc1	ZINC000029694441	568828662	/nfs/dbraw/zinc/82/86/62/568828662.db2.gz	MTLRWVPJIPJDQL-UHFFFAOYSA-N	0	0	409.439	2.119	50	5		HEBARN
CN(Cc1ccccc1F)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-]	ZINC000034858754	568829402	/nfs/dbraw/zinc/82/94/02/568829402.db2.gz	YNPVGJYQQKKSCI-UHFFFAOYSA-N	0	0	422.482	2.306	50	5		HEBARN
O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCC(=O)c1ccc(F)cc1	ZINC000005938424	568830683	/nfs/dbraw/zinc/83/06/83/568830683.db2.gz	XVARRSSGBGSQCQ-UHFFFAOYSA-N	0	0	400.318	2.146	50	5		HEBARN
C[C@@H](OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2ccccc21	ZINC000005957060	568832151	/nfs/dbraw/zinc/83/21/51/568832151.db2.gz	VPRZOIANXSPBLK-CQSZACIVSA-N	0	0	411.414	2.236	50	5		HEBARN
Cn1ccnc1[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccccc1	ZINC000029813373	568834436	/nfs/dbraw/zinc/83/44/36/568834436.db2.gz	DUESEYVHTNPCKA-SFHVURJKSA-N	0	0	403.402	2.428	50	5		HEBARN
CCCn1c(=O)[nH]nc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1Br	ZINC000012486742	568838903	/nfs/dbraw/zinc/83/89/03/568838903.db2.gz	OQAFGRVKAKRPGH-UHFFFAOYSA-N	0	0	416.257	2.383	50	5		HEBARN
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCc1cccc([N+](=O)[O-])c1	ZINC000003260158	568867767	/nfs/dbraw/zinc/86/77/67/568867767.db2.gz	FSTMXIUXHAMBEM-UHFFFAOYSA-N	0	0	420.443	2.281	50	5		HEBARN
COc1cc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)ccc1NC(=O)c1cccnc1	ZINC000058005815	568874799	/nfs/dbraw/zinc/87/47/99/568874799.db2.gz	MCFPMGXQXMBLIX-UHFFFAOYSA-N	0	0	410.390	2.394	50	5		HEBARN
Cc1nn2c(SCC(=O)NCc3ccccc3F)nc3ccccc3c2nc1=O	ZINC000058047080	568880260	/nfs/dbraw/zinc/88/02/60/568880260.db2.gz	CIRJDTKXGPVTTQ-UHFFFAOYSA-N	0	0	409.446	2.494	50	5		HEBARN
Cc1cn(CC(=O)NCCOc2cccc(C)c2)c(=O)n1-c1cccc([N+](=O)[O-])c1	ZINC000058060472	568881163	/nfs/dbraw/zinc/88/11/63/568881163.db2.gz	WKOTZYACQOKCTM-UHFFFAOYSA-N	0	0	410.430	2.359	50	5		HEBARN
CCn1nc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c2ccccc2c1=O	ZINC000003359844	568887573	/nfs/dbraw/zinc/88/75/73/568887573.db2.gz	FRJZPRXQOJCJLS-UHFFFAOYSA-N	0	0	414.349	2.259	50	5		HEBARN
COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1	ZINC000003372714	568890860	/nfs/dbraw/zinc/89/08/60/568890860.db2.gz	LFQGBIFUVWGICJ-GFCCVEGCSA-N	0	0	418.402	2.482	50	5		HEBARN
C[C@@H](OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000003484964	568908623	/nfs/dbraw/zinc/90/86/23/568908623.db2.gz	NCNHNEJWASBTEJ-GFCCVEGCSA-N	0	0	421.431	2.029	50	5		HEBARN
COc1ccc(NC(=O)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c([N+](=O)[O-])c1	ZINC000004016559	568933801	/nfs/dbraw/zinc/93/38/01/568933801.db2.gz	LYNQMBQKEZZKPK-UHFFFAOYSA-N	0	0	404.335	2.488	50	5		HEBARN
COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Sc1nnnn1-c1ccccc1	ZINC000059372373	568952194	/nfs/dbraw/zinc/95/21/94/568952194.db2.gz	OHFUNEJRHYGJCV-UHFFFAOYSA-N	0	0	402.348	2.417	50	5		HEBARN
COc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc3c(c2)CCC3)cc1[N+](=O)[O-]	ZINC000008378072	568996007	/nfs/dbraw/zinc/99/60/07/568996007.db2.gz	DIMVTVVJHGJBSX-UHFFFAOYSA-N	0	0	419.459	2.399	50	5		HEBARN
Cn1c(COc2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)NCc1ccco1	ZINC000008435656	569003076	/nfs/dbraw/zinc/00/30/76/569003076.db2.gz	ATWXQNAAUJEXEV-UHFFFAOYSA-N	0	0	403.420	2.304	50	5		HEBARN
CNS(=O)(=O)c1ccc(Sc2n[nH]c(Cc3cccs3)n2)c([N+](=O)[O-])c1	ZINC000012870485	569013198	/nfs/dbraw/zinc/01/31/98/569013198.db2.gz	XMUWQJHVWIDJSA-UHFFFAOYSA-N	0	0	411.490	2.425	50	5		HEBARN
O=C(NC[C@@H]1CCCO1)C1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1	ZINC000026170456	569027818	/nfs/dbraw/zinc/02/78/18/569027818.db2.gz	BFYIZHQIWZNBBV-KRWDZBQOSA-N	0	0	415.450	2.152	50	5		HEBARN
COC[C@@H](C)NS(=O)(=O)c1ccc(Nc2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1	ZINC000016046401	569028073	/nfs/dbraw/zinc/02/80/73/569028073.db2.gz	WOZURUUKLPZNFG-GFCCVEGCSA-N	0	0	423.447	2.423	50	5		HEBARN
Cc1cccc(C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)c1[N+](=O)[O-]	ZINC000053776392	569032943	/nfs/dbraw/zinc/03/29/43/569032943.db2.gz	DTHMQIXGWMTVEX-UHFFFAOYSA-N	0	0	408.458	2.250	50	5		HEBARN
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NC2CCCCC2)c([N+](=O)[O-])c1	ZINC000006205261	569032977	/nfs/dbraw/zinc/03/29/77/569032977.db2.gz	HFKBYRYMTUIPCS-UHFFFAOYSA-N	0	0	413.496	2.453	50	5		HEBARN
COc1ccc(-c2nc3s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n3n2)cc1OC	ZINC000001899037	569057248	/nfs/dbraw/zinc/05/72/48/569057248.db2.gz	NJJWBRXMKQVKSJ-SXGWCWSVSA-N	0	0	410.411	2.291	50	5		HEBARN
COc1ccc(CCNC(=O)COC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OC	ZINC000001939391	569059807	/nfs/dbraw/zinc/05/98/07/569059807.db2.gz	QTGJGUMLMRZGBI-UHFFFAOYSA-N	0	0	402.403	2.436	50	5		HEBARN
Cc1nn(Cc2ccc(C(=O)N3NC=C[C@]3(O)C(F)(F)F)o2)c(C)c1[N+](=O)[O-]	ZINC000006526497	569063273	/nfs/dbraw/zinc/06/32/73/569063273.db2.gz	MRKPHNLHQWCPTG-AWEZNQCLSA-N	0	0	401.301	2.132	50	5		HEBARN
COCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)C[C@H]12	ZINC000035870302	569063903	/nfs/dbraw/zinc/06/39/03/569063903.db2.gz	VEQBEBYBCABKEO-PZJWPPBQSA-N	0	0	410.474	2.225	50	5		HEBARN
COc1cccc(N2C(=O)N(c3ccc([N+](=O)[O-])cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1	ZINC000007718532	569302117	/nfs/dbraw/zinc/30/21/17/569302117.db2.gz	GNJYLGZWPQCFLP-SJORKVTESA-N	0	0	403.416	2.216	50	5		HEBARN
CC(C)NC(=O)c1ccc(N(C)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c([N+](=O)[O-])c1	ZINC000253430220	569368790	/nfs/dbraw/zinc/36/87/90/569368790.db2.gz	KCKGKCKCUZQALD-IRXDYDNUSA-N	0	0	422.482	2.149	50	5		HEBARN
Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000009283942	569392138	/nfs/dbraw/zinc/39/21/38/569392138.db2.gz	IVLFNFYOZHUWSC-WSVATBPTSA-N	0	0	423.385	2.498	50	5		HEBARN
CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000055226450	569395067	/nfs/dbraw/zinc/39/50/67/569395067.db2.gz	BVCQXFMQEMJISI-SFHVURJKSA-N	0	0	402.451	2.498	50	5		HEBARN
COc1ccc(OC)c(C2=NO[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(O)=C23)c1	ZINC000008490645	571056535	/nfs/dbraw/zinc/05/65/35/571056535.db2.gz	WZUUZSSWXMLOCE-SJLPKXTDSA-N	0	0	411.370	2.213	50	5		HEBARN
COc1ccc(-c2nc(CN3CCN(C(=O)[C@H]4C[C@@H]4[N+](=O)[O-])CC3)cs2)cc1	ZINC000040115508	571173505	/nfs/dbraw/zinc/17/35/05/571173505.db2.gz	XJQKLSQTYIJUSU-IRXDYDNUSA-N	0	0	402.476	2.128	50	5		HEBARN
Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)OCCO2	ZINC000009169816	571233334	/nfs/dbraw/zinc/23/33/34/571233334.db2.gz	ZMQUFEAITCIYRX-UHFFFAOYSA-N	0	0	414.403	2.293	50	5		HEBARN
CCOC(=O)c1sc2c(c1C)c(=O)n(C)c(=O)n2Cc1ccc([N+](=O)[O-])cc1	ZINC000009183652	571234521	/nfs/dbraw/zinc/23/45/21/571234521.db2.gz	LCKZLLAWAWIKHV-UHFFFAOYSA-N	0	0	403.416	2.203	50	5		HEBARN
O=[N+]([O-])c1ccc(S(=O)(=O)NCCOc2ccc(-c3cccs3)nn2)cc1	ZINC000009853646	571288454	/nfs/dbraw/zinc/28/84/54/571288454.db2.gz	LEZQBQCGFXEFLL-UHFFFAOYSA-N	0	0	406.445	2.471	50	5		HEBARN
O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nn1cnc2c(cnn2-c2ccccc2)c1=O	ZINC000010251354	571298100	/nfs/dbraw/zinc/29/81/00/571298100.db2.gz	XNGZMNWEKLPPFH-DHZHZOJOSA-N	0	0	402.370	2.274	50	5		HEBARN
COc1ccc([C@@H]2c3c(-c4cccc([N+](=O)[O-])c4)n[nH]c(=O)c3Nc3nnnn32)cc1	ZINC000010296458	571299614	/nfs/dbraw/zinc/29/96/14/571299614.db2.gz	JZQSKUJFJGURGZ-QGZVFWFLSA-N	0	0	418.373	2.447	50	5		HEBARN
COc1cccc(-c2n[nH]c(=O)c3c2[C@H](c2ccc([N+](=O)[O-])cc2)n2nnnc2N3)c1	ZINC000010296834	571299639	/nfs/dbraw/zinc/29/96/39/571299639.db2.gz	ZFSYFIVBHHNORK-KRWDZBQOSA-N	0	0	418.373	2.447	50	5		HEBARN
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)C[C@H]2C)cc1	ZINC000004703741	132284059	/nfs/dbraw/zinc/28/40/59/132284059.db2.gz	BVUYFAQFKAWAHJ-CQSZACIVSA-N	0	0	418.475	2.453	50	5		HEBARN
O=C(CN1C[C@@H](c2ccccc2)CC1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000004885688	132291744	/nfs/dbraw/zinc/29/17/44/132291744.db2.gz	PDKUPMJWSUFJOF-SFHVURJKSA-N	0	0	408.458	2.260	50	5		HEBARN
CC1CCC(NC(=O)COC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)CC1	ZINC000006832162	132318296	/nfs/dbraw/zinc/31/82/96/132318296.db2.gz	XUSSOJZTDPWVDR-UHFFFAOYSA-N	0	0	405.451	2.283	50	5		HEBARN
COc1cc(C)c(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1OC	ZINC000027941543	132492167	/nfs/dbraw/zinc/49/21/67/132492167.db2.gz	SRMOZALBJRBXPQ-UHFFFAOYSA-N	0	0	421.475	2.431	50	5		HEBARN
CCSc1n[nH]c(-n2ccc3nc4ccn(-c5ccccn5)c(=O)c4cc3c2=O)n1	ZINC000040398942	521783530	/nfs/dbraw/zinc/78/35/30/521783530.db2.gz	WKZXFCOVIMCZMA-UHFFFAOYSA-N	0	0	417.454	2.315	50	5		HEBARN
Cc1c(OCC(=O)NCCCN2CCOCC2)ccc2c3ccccc3c(=O)oc12	ZINC000020547852	525881184	/nfs/dbraw/zinc/88/11/84/525881184.db2.gz	MGVOEWGTEBITHO-UHFFFAOYSA-N	0	0	410.470	2.472	50	5		HEBARN
O=C(COC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)Nc1ccc(F)c([N+](=O)[O-])c1	ZINC000032922212	526910785	/nfs/dbraw/zinc/91/07/85/526910785.db2.gz	MOYYSKNPIVXHGR-CYBMUJFWSA-N	0	0	422.413	2.143	50	5		HEBARN
O=C1N=C2N(CCN3CCOCC3)c3ccccc3N2/C1=C\c1ccc([N+](=O)[O-])cc1	ZINC000032603810	527046662	/nfs/dbraw/zinc/04/66/62/527046662.db2.gz	CMRUCMMQIBGYDO-HKWRFOASSA-N	0	0	419.441	2.491	50	5		HEBARN
O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1ccc(C(=S)N2CCOCC2)cc1	ZINC000002987633	557437051	/nfs/dbraw/zinc/43/70/51/557437051.db2.gz	USTFBUJNJJKDMM-UHFFFAOYSA-N	0	0	408.457	2.370	50	5		HEBARN
Cn1c2nc3n(cc(-c4cccc([N+](=O)[O-])c4)n3-c3ccccc3)c2c(=O)[nH]c1=O	ZINC000005286049	557643346	/nfs/dbraw/zinc/64/33/46/557643346.db2.gz	MUSRRKXNWHCJIC-UHFFFAOYSA-N	0	0	402.370	2.240	50	5		HEBARN
Cc1sc2nc3c4ccccc4c(N4CCN(CCO)CC4)nn3c(=O)c2c1C	ZINC000019902839	558305642	/nfs/dbraw/zinc/30/56/42/558305642.db2.gz	VFOGIKXMEPNCOQ-UHFFFAOYSA-N	0	0	409.515	2.189	50	5		HEBARN
Cn1c2cc([N+](=O)[O-])c(N3CCN(C(=O)CCc4ccccc4)CC3)cc2n(C)c1=O	ZINC000004478345	558599049	/nfs/dbraw/zinc/59/90/49/558599049.db2.gz	GMCSKLIQIOKDTI-UHFFFAOYSA-N	0	0	423.473	2.067	50	5		HEBARN
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000004569240	558737155	/nfs/dbraw/zinc/73/71/55/558737155.db2.gz	DPPHMLNUFGCXRZ-QGZVFWFLSA-N	0	0	403.460	2.486	50	5		HEBARN
Cn1ccnc1[C@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1	ZINC000010656587	558894568	/nfs/dbraw/zinc/89/45/68/558894568.db2.gz	OVIPLAIWWGZKOB-GOSISDBHSA-N	0	0	411.393	2.103	50	5		HEBARN
CC[C@H](Sc1nc(N)cc(=O)[nH]1)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1	ZINC000013945124	558985023	/nfs/dbraw/zinc/98/50/23/558985023.db2.gz	QMPLOEWESAKXRQ-VIFPVBQESA-N	0	0	406.449	2.379	50	5		HEBARN
COc1ccc(NC(=O)[C@@H](C)N2CCN(Cc3cc(C)no3)CC2)c([N+](=O)[O-])c1	ZINC000022254906	558986478	/nfs/dbraw/zinc/98/64/78/558986478.db2.gz	LNOLDYWCKAAOCK-CQSZACIVSA-N	0	0	403.439	2.045	50	5		HEBARN
COc1cc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)c([N+](=O)[O-])cc1OC	ZINC000023105681	559009671	/nfs/dbraw/zinc/00/96/71/559009671.db2.gz	AVEUIGBKQIYDAS-OAHLLOKOSA-N	0	0	421.475	2.477	50	5		HEBARN
CCOCCCn1c(=N)c(C(=O)NC2CCCC2)cc2c1nc1ccccn1c2=O	ZINC000100677354	559137704	/nfs/dbraw/zinc/13/77/04/559137704.db2.gz	PIGIPGJBDSSBGA-UHFFFAOYSA-N	0	0	409.490	2.228	50	5		HEBARN
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@@H](C)C(=O)N(C)C1CCCCC1	ZINC000011778411	559258984	/nfs/dbraw/zinc/25/89/84/559258984.db2.gz	ZGZYNHNXYNPUPN-KBPBESRZSA-N	0	0	405.451	2.436	50	5		HEBARN
COc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000024366839	560731096	/nfs/dbraw/zinc/73/10/96/560731096.db2.gz	KUUQJEHYKSEWDM-UHFFFAOYSA-N	0	0	420.447	2.142	50	5		HEBARN
COc1ccc(C(=O)CC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000101419606	560794836	/nfs/dbraw/zinc/79/48/36/560794836.db2.gz	LTYYXNCLSIBCLS-UHFFFAOYSA-N	0	0	411.414	2.094	50	5		HEBARN
COc1cccc(C2=NO[C@H]3C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(O)=C23)c1OC	ZINC000102890014	560832917	/nfs/dbraw/zinc/83/29/17/560832917.db2.gz	HFKWXGCJPXGDAT-MAUKXSAKSA-N	0	0	411.370	2.213	50	5		HEBARN
CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCC(=O)NCc1ccco1	ZINC000046761100	560868791	/nfs/dbraw/zinc/86/87/91/560868791.db2.gz	DHBOEYQIMYHEIR-UHFFFAOYSA-N	0	0	414.374	2.245	50	5		HEBARN
Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1	ZINC000048289981	568435073	/nfs/dbraw/zinc/43/50/73/568435073.db2.gz	MQTPIBATEGABBX-UHFFFAOYSA-N	0	0	404.386	2.408	50	5		HEBARN
Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCOCC1	ZINC000000847734	568551695	/nfs/dbraw/zinc/55/16/95/568551695.db2.gz	YCBSWTXDSCMTRM-UHFFFAOYSA-N	0	0	405.432	2.176	50	5		HEBARN
CC1=Nc2nnnn2[C@@H](c2ccc(O)cc2)C1C(=O)OCc1ccc([N+](=O)[O-])cc1	ZINC000020281735	568596620	/nfs/dbraw/zinc/59/66/20/568596620.db2.gz	JOZCEYJPXBFWDU-KRWDZBQOSA-N	0	0	408.374	2.319	50	5		HEBARN
CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1	ZINC000020893987	568648378	/nfs/dbraw/zinc/64/83/78/568648378.db2.gz	CVDQDLYUUOJAHP-CHWSQXEVSA-N	0	0	406.439	2.222	50	5		HEBARN
COc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1OC	ZINC000001115910	568770778	/nfs/dbraw/zinc/77/07/78/568770778.db2.gz	XMRHKMMLARHVKX-UHFFFAOYSA-N	0	0	409.420	2.017	50	5		HEBARN
COC(=O)c1ccc(OCC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)c(OC)c1	ZINC000001140744	568772178	/nfs/dbraw/zinc/77/21/78/568772178.db2.gz	MTEBFSRMBGUJGS-UHFFFAOYSA-N	0	0	404.375	2.094	50	5		HEBARN
O=C(C1=C2C(O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2C=CC=NN12)c1ccccc1	ZINC000230016133	568801798	/nfs/dbraw/zinc/80/17/98/568801798.db2.gz	FLBVUNVQDLPVID-OKYOBFRVSA-N	0	0	416.393	2.192	50	5		HEBARN
O=C(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OCc1c(F)cccc1Cl	ZINC000002850360	568813039	/nfs/dbraw/zinc/81/30/39/568813039.db2.gz	IKLBSFNRDTVMHB-UHFFFAOYSA-N	0	0	402.787	2.409	50	5		HEBARN
COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)c1	ZINC000002930997	568818337	/nfs/dbraw/zinc/81/83/37/568818337.db2.gz	GOZBHEJRVBDRMY-UHFFFAOYSA-N	0	0	416.342	2.207	50	5		HEBARN
CCOC(=O)CS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2)cc1[N+](=O)[O-]	ZINC000003023835	568840855	/nfs/dbraw/zinc/84/08/55/568840855.db2.gz	BGUWCQGLZOOHJF-UHFFFAOYSA-N	0	0	420.443	2.204	50	5		HEBARN
COc1ccc(CN(C)c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cc1	ZINC000012527539	568843625	/nfs/dbraw/zinc/84/36/25/568843625.db2.gz	WWIUGMROBOMNQT-UHFFFAOYSA-N	0	0	421.475	2.261	50	5		HEBARN
O=C(COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1nc2ccccc2s1	ZINC000003332036	568882115	/nfs/dbraw/zinc/88/21/15/568882115.db2.gz	GCNCFLNUBXHIQK-UHFFFAOYSA-N	0	0	414.399	2.116	50	5	aggregator	HEBARN
COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)n1N	ZINC000003368398	568889451	/nfs/dbraw/zinc/88/94/51/568889451.db2.gz	GFTYHXRPTAUAOO-UHFFFAOYSA-N	0	0	418.410	2.446	50	5		HEBARN
Cn1nnnc1Sc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1[N+](=O)[O-]	ZINC000003430776	568901920	/nfs/dbraw/zinc/90/19/20/568901920.db2.gz	NRRZJVKMTRHWMO-UHFFFAOYSA-N	0	0	400.376	2.251	50	5		HEBARN
COCCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000003636598	568921248	/nfs/dbraw/zinc/92/12/48/568921248.db2.gz	WWWVAEOOKGLDFK-NHYWBVRUSA-N	0	0	405.432	2.433	50	5		HEBARN
COc1ccc(N2C(=O)N(c3ccc([N+](=O)[O-])cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000004302960	568959940	/nfs/dbraw/zinc/95/99/40/568959940.db2.gz	VJNDFLGKHMYKJZ-SJORKVTESA-N	0	0	403.416	2.216	50	5		HEBARN
COc1ccc(N2C(=O)N(c3ccc([N+](=O)[O-])cc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000004302955	568959983	/nfs/dbraw/zinc/95/99/83/568959983.db2.gz	VJNDFLGKHMYKJZ-IRXDYDNUSA-N	0	0	403.416	2.216	50	5		HEBARN
Cc1c(NC(=O)COC(=O)Cn2cc(C(F)(F)F)ccc2=O)cccc1[N+](=O)[O-]	ZINC000007982798	568963869	/nfs/dbraw/zinc/96/38/69/568963869.db2.gz	GVTBGMKYAASQHU-UHFFFAOYSA-N	0	0	413.308	2.266	50	5		HEBARN
CC(=O)N[C@@H](CC(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1	ZINC000006084946	568997369	/nfs/dbraw/zinc/99/73/69/568997369.db2.gz	VFELMEVVTNUFDP-INIZCTEOSA-N	0	0	403.366	2.483	50	5		HEBARN
CC(C)C[C@H](CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1	ZINC000026304347	569031150	/nfs/dbraw/zinc/03/11/50/569031150.db2.gz	SMNODYMVXSISTC-HXUWFJFHSA-N	0	0	419.526	2.173	50	5		HEBARN
COC(=O)c1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])o1	ZINC000016382742	569040079	/nfs/dbraw/zinc/04/00/79/569040079.db2.gz	ROIYMDZJJLRBEP-HNNXBMFYSA-N	0	0	400.347	2.241	50	5		HEBARN
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCC(=O)c1c[nH]c2ccccc21	ZINC000006549359	569064830	/nfs/dbraw/zinc/06/48/30/569064830.db2.gz	YAKZUKPFFXNHCO-UHFFFAOYSA-N	0	0	407.338	2.098	50	5		HEBARN
COCCNC(=O)[C@H]1COC2(CCC(C)CC2)N1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000036017716	569076924	/nfs/dbraw/zinc/07/69/24/569076924.db2.gz	RBHJSTFRXUVQMI-GBXVCHKXSA-N	0	0	405.451	2.105	50	5		HEBARN
COCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)C[C@@H]12	ZINC000169681767	569127788	/nfs/dbraw/zinc/12/77/88/569127788.db2.gz	VEQBEBYBCABKEO-CTNGQTDRSA-N	0	0	410.474	2.225	50	5		HEBARN
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21	ZINC000036398278	569171551	/nfs/dbraw/zinc/17/15/51/569171551.db2.gz	TUUYXAMPMYFGOM-QGZVFWFLSA-N	0	0	407.386	2.467	50	5		HEBARN
O=C(COC(=O)CCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(F)cc1	ZINC000007002046	569198925	/nfs/dbraw/zinc/19/89/25/569198925.db2.gz	MLMKSCKAQOUXNL-UHFFFAOYSA-N	0	0	403.322	2.214	50	5		HEBARN
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1	ZINC000007006587	569199450	/nfs/dbraw/zinc/19/94/50/569199450.db2.gz	BPRJPESSDSTLIW-NSHDSACASA-N	0	0	401.350	2.497	50	5		HEBARN
Cc1cccc(C(=O)OCC(=O)N(C)C[C@@H]2COc3ccccc3O2)c1[N+](=O)[O-]	ZINC000013159784	569211683	/nfs/dbraw/zinc/21/16/83/569211683.db2.gz	JRPMCYAOXCQINH-CQSZACIVSA-N	0	0	400.387	2.358	50	5		HEBARN
Cc1nc(CO[C@H]2CCN(S(=O)(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)cs1	ZINC000170619742	569248195	/nfs/dbraw/zinc/24/81/95/569248195.db2.gz	LUAKNBSKKGPZAC-AWEZNQCLSA-N	0	0	401.441	2.479	50	5		HEBARN
CCCn1nnnc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000017082158	569273241	/nfs/dbraw/zinc/27/32/41/569273241.db2.gz	VKVQVPKODNPETF-UHFFFAOYSA-N	0	0	401.408	2.378	50	5		HEBARN
CCn1c(=O)c2c(ncn2Cc2cccc([N+](=O)[O-])c2)n(-c2cccc(OC)c2)c1=O	ZINC000037559766	569306825	/nfs/dbraw/zinc/30/68/25/569306825.db2.gz	FJKFYNGQHZXQQQ-UHFFFAOYSA-N	0	0	421.413	2.334	50	5		HEBARN
COc1ccc2c(ccn2CC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)c([N+](=O)[O-])ccc23)c1	ZINC000524729586	569393698	/nfs/dbraw/zinc/39/36/98/569393698.db2.gz	ZMOMVYVQXWCOSC-GOEBONIOSA-N	0	0	422.441	2.366	50	5		HEBARN
C[C@H](C(=O)OCCOc1ccccc1F)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000012787952	569403338	/nfs/dbraw/zinc/40/33/38/569403338.db2.gz	RCPIHRLFVVAMRL-LLVKDONJSA-N	0	0	402.334	2.341	50	5		HEBARN
CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000040049844	571143696	/nfs/dbraw/zinc/14/36/96/571143696.db2.gz	HFKYDBOOHXZIPH-INIZCTEOSA-N	0	0	409.851	2.110	50	5		HEBARN
CCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@H](C)O[C@H](C)[C@@H]32)C1=O	ZINC000245329044	571224846	/nfs/dbraw/zinc/22/48/46/571224846.db2.gz	XFCKPAHRJYWKFD-CGVCYLSUSA-N	0	0	416.434	2.448	50	5		HEBARN
COc1ccccc1-c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1N	ZINC000009212502	571237234	/nfs/dbraw/zinc/23/72/34/571237234.db2.gz	XBLQGWKSNFHHCL-UHFFFAOYSA-N	0	0	400.420	2.307	50	5		HEBARN
COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(O)=C23)c(OC)c1	ZINC000009328553	571248376	/nfs/dbraw/zinc/24/83/76/571248376.db2.gz	HQFBSTJYGJNOAN-SJLPKXTDSA-N	0	0	411.370	2.213	50	5		HEBARN
C[C@@]12CCC(=O)N1[C@@H](C(=O)OCc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CS2	ZINC000009441245	571259219	/nfs/dbraw/zinc/25/92/19/571259219.db2.gz	JTZDZAHNXCYRJX-SJKOYZFVSA-N	0	0	404.404	2.142	50	5		HEBARN
O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)Nc2ncnc3c2cnn3-c2ccccc2)cc1	ZINC000009513351	571264476	/nfs/dbraw/zinc/26/44/76/571264476.db2.gz	PKEUIIZCHBNXIO-QZTJIDSGSA-N	0	0	406.402	2.230	50	5		HEBARN
CCOc1ccccc1-n1c(=O)[nH]c2c1nc(-c1ccc([N+](=O)[O-])cc1)nc2C(N)=O	ZINC000010188006	571296386	/nfs/dbraw/zinc/29/63/86/571296386.db2.gz	STDCFLLLZZCVAQ-UHFFFAOYSA-N	0	0	420.385	2.182	50	5		HEBARN
COc1ccc(-c2n[nH]c(=O)c3c2[C@H](c2cccc([N+](=O)[O-])c2)n2nnnc2N3)cc1	ZINC000010295357	571299495	/nfs/dbraw/zinc/29/94/95/571299495.db2.gz	HBZKEALWPCODCL-KRWDZBQOSA-N	0	0	418.373	2.447	50	5		HEBARN
COc1cccc(-c2n[nH]c(=O)c3c2[C@@H](c2ccccc2[N+](=O)[O-])n2nnnc2N3)c1	ZINC000010296851	571299620	/nfs/dbraw/zinc/29/96/20/571299620.db2.gz	FZHXJFXGYIYWGD-QGZVFWFLSA-N	0	0	418.373	2.447	50	5		HEBARN
CCCN1C(=O)N(C)C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C1=O	ZINC000004594356	132279505	/nfs/dbraw/zinc/27/95/05/132279505.db2.gz	VNWBFPSBFQSRSG-OXQOHEQNSA-N	0	0	400.435	2.327	50	5		HEBARN
O=[N+]([O-])c1ccc(N2CCN(c3ccc(Cl)nn3)CC2)cc1N1CCOCC1	ZINC000004687428	132283256	/nfs/dbraw/zinc/28/32/56/132283256.db2.gz	JMUDJXSCBPXVHN-UHFFFAOYSA-N	0	0	404.858	2.201	50	5		HEBARN
C[C@@H]1C[C@H](C)CN(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1	ZINC000004889869	132291767	/nfs/dbraw/zinc/29/17/67/132291767.db2.gz	RIGPKMPHSDKHRD-GASCZTMLSA-N	0	0	405.451	2.093	50	5		HEBARN
C[C@@H]1CCC[C@@H](C)C12NC(=O)N(CN1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2=O	ZINC000012538337	132362404	/nfs/dbraw/zinc/36/24/04/132362404.db2.gz	LUVOCZNXJAZVEN-HZPDHXFCSA-N	0	0	415.494	2.421	50	5		HEBARN
Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1	ZINC000012557779	132363841	/nfs/dbraw/zinc/36/38/41/132363841.db2.gz	OVKXFSQSAUQLMV-UHFFFAOYSA-N	0	0	417.447	2.259	50	5		HEBARN
O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCN(C(=O)N2CCCC2)CC1	ZINC000012607481	132365096	/nfs/dbraw/zinc/36/50/96/132365096.db2.gz	FVGYMYXXUJAWHL-UHFFFAOYSA-N	0	0	415.494	2.171	50	5		HEBARN
Cc1nn(C)c2ncc(C(=O)OCC(=O)N3CCCc4cc([N+](=O)[O-])ccc43)cc12	ZINC000024199840	132482988	/nfs/dbraw/zinc/48/29/88/132482988.db2.gz	DKMRYFUYNZNNDV-UHFFFAOYSA-N	0	0	409.402	2.321	50	5		HEBARN
COc1cc(/C=C/C(=O)N(C)CC(=O)N2CCCC2)c([N+](=O)[O-])cc1OC(F)F	ZINC000032461881	521926276	/nfs/dbraw/zinc/92/62/76/521926276.db2.gz	UXAHWARICIFOCE-AATRIKPKSA-N	0	0	413.377	2.299	50	5		HEBARN
CN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@H](c4ccccc4)C[C@H]32)C1=O	ZINC000229904724	558427064	/nfs/dbraw/zinc/42/70/64/558427064.db2.gz	IGIWMSQJNVGVPB-FXCLAUTBSA-N	0	0	420.425	2.208	50	5		HEBARN
Cc1ccc(NC(=O)CN(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000010834058	558478171	/nfs/dbraw/zinc/47/81/71/558478171.db2.gz	JFUDWUDLQVLIGS-AWEZNQCLSA-N	0	0	407.448	2.124	50	5		HEBARN
COc1ccc(Cc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)cc1	ZINC000010921868	558569908	/nfs/dbraw/zinc/56/99/08/558569908.db2.gz	PPRNIRSIRCCQIZ-UHFFFAOYSA-N	0	0	414.447	2.230	50	5		HEBARN
O=c1c2cc3c(ccn(-c4ccccc4)c3=O)nc2ccn1CCCN1CCOCC1	ZINC000038829191	558816112	/nfs/dbraw/zinc/81/61/12/558816112.db2.gz	BMYUDOBUYTXZLB-UHFFFAOYSA-N	0	0	416.481	2.423	50	5		HEBARN
O=C1N=C2N(CCN3CCOCC3)c3ccccc3N2/C1=C/c1ccc([N+](=O)[O-])o1	ZINC000013514100	558835220	/nfs/dbraw/zinc/83/52/20/558835220.db2.gz	HSYHNALSDMEJIV-GHRIWEEISA-N	0	0	409.402	2.084	50	5		HEBARN
Cn1c(=O)c2c(n(C)c1=O)Oc1ccccc1N(N=O)[C@@H]2c1ccc([N+](=O)[O-])cc1	ZINC000013511107	558835252	/nfs/dbraw/zinc/83/52/52/558835252.db2.gz	CCRGPJWWRZTQET-MRXNPFEDSA-N	0	0	409.358	2.375	50	5		HEBARN
Cc1cc([N+](=O)[O-])nn1Cc1noc(C(=O)NCC23CC4CC(CC(C4)C2)C3)n1	ZINC000004753331	559049452	/nfs/dbraw/zinc/04/94/52/559049452.db2.gz	QELBIOLSLBCDTE-UHFFFAOYSA-N	0	0	400.439	2.477	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)CCn1c(C)csc1=O	ZINC000014245247	559161457	/nfs/dbraw/zinc/16/14/57/559161457.db2.gz	DWWAUFJKLOSPRZ-LLVKDONJSA-N	0	0	409.420	2.096	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O	ZINC000005060317	559237493	/nfs/dbraw/zinc/23/74/93/559237493.db2.gz	HWDKDHPEMRUKBZ-XDTLVQLUSA-N	0	0	407.810	2.448	50	5		HEBARN
O=C(OCCN1C(=O)c2ccccc2S1(=O)=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000005656164	560636811	/nfs/dbraw/zinc/63/68/11/560636811.db2.gz	ODFRHHUWOUENCT-UHFFFAOYSA-N	0	0	410.791	2.250	50	5		HEBARN
CCOC(=O)Cn1c2ccc([N+](=O)[O-])cc2s/c1=N\C(=O)c1ccc([N+](=O)[O-])o1	ZINC000100877324	560761212	/nfs/dbraw/zinc/76/12/12/560761212.db2.gz	AYABCKIUQYLQPC-MSUUIHNZSA-N	0	0	420.359	2.416	50	5		HEBARN
COC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(Cc2ccc(OC)cc2)c1=N	ZINC000100911758	560762463	/nfs/dbraw/zinc/76/24/63/560762463.db2.gz	YRQHZEQVIXHRJB-UHFFFAOYSA-N	0	0	404.426	2.281	50	5		HEBARN
COc1cccc(C2=NO[C@@H]3C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(O)=C23)c1OC	ZINC000102890012	560832924	/nfs/dbraw/zinc/83/29/24/560832924.db2.gz	HFKWXGCJPXGDAT-YJBOKZPZSA-N	0	0	411.370	2.213	50	5		HEBARN
Cn1c(=O)c2c(n(C)c1=O)N=C1c3ccccc3C(=O)[C@@H]1[C@H]2c1ccccc1[N+](=O)[O-]	ZINC000000649639	568456651	/nfs/dbraw/zinc/45/66/51/568456651.db2.gz	PHSRBMIRXRLMSD-HZPDHXFCSA-N	0	0	416.393	2.071	50	5		HEBARN
O=C(NC[C@H]1CS(=O)(=O)CCO1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	ZINC000095454258	568616165	/nfs/dbraw/zinc/61/61/65/568616165.db2.gz	JBXKODIAIXILOG-NSHDSACASA-N	0	0	414.823	2.052	50	5		HEBARN
COc1ccc(-c2nc3n(n2)[C@@H](CC(=O)Nc2ccccc2[N+](=O)[O-])C(=O)N3)cc1	ZINC000020720918	568640361	/nfs/dbraw/zinc/64/03/61/568640361.db2.gz	UUDWAEJAXOJMDO-HNNXBMFYSA-N	0	0	408.374	2.384	50	5		HEBARN
O=C(NC1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)c1ccc(F)cc1	ZINC000028052552	568764099	/nfs/dbraw/zinc/76/40/99/568764099.db2.gz	XVRCBHVISKMDBV-UHFFFAOYSA-N	0	0	407.423	2.317	50	5		HEBARN
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)c(C)c1	ZINC000001073075	568768595	/nfs/dbraw/zinc/76/85/95/568768595.db2.gz	KHGSGWSYLSIUCM-UHFFFAOYSA-N	0	0	403.460	2.358	50	5		HEBARN
COc1ccc(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1	ZINC000001144011	568772246	/nfs/dbraw/zinc/77/22/46/568772246.db2.gz	SUSMOPPKNPNYOL-GFCCVEGCSA-N	0	0	423.447	2.405	50	5		HEBARN
COc1ccc(N([C@H]2C=CS(=O)(=O)C2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000001153722	568774038	/nfs/dbraw/zinc/77/40/38/568774038.db2.gz	YJAWIONOQBXXPC-HNNXBMFYSA-N	0	0	424.456	2.109	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc(NC(N)=O)cc1	ZINC000002654216	568797275	/nfs/dbraw/zinc/79/72/75/568797275.db2.gz	RRMPSZSSURGUGD-SNVBAGLBSA-N	0	0	402.363	2.278	50	5		HEBARN
Cc1nn(CCC(=O)Nn2c(C)nc3sc4c(c3c2=O)CCC4)c(C)c1[N+](=O)[O-]	ZINC000002777546	568807676	/nfs/dbraw/zinc/80/76/76/568807676.db2.gz	KORRQXOIAHGZCJ-UHFFFAOYSA-N	0	0	416.463	2.137	50	5		HEBARN
CCCNC(=O)CN1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000029966392	568854123	/nfs/dbraw/zinc/85/41/23/568854123.db2.gz	PSWOQPVEAHNSEK-UHFFFAOYSA-N	0	0	419.360	2.170	50	5		HEBARN
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1	ZINC000030480449	568867289	/nfs/dbraw/zinc/86/72/89/568867289.db2.gz	SWARVOBZVUENAM-UHFFFAOYSA-N	0	0	413.356	2.034	50	5		HEBARN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1	ZINC000015360712	568882088	/nfs/dbraw/zinc/88/20/88/568882088.db2.gz	UKYWKXRXPZKXPP-UHFFFAOYSA-N	0	0	417.487	2.345	50	5		HEBARN
CCOc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2N)c([N+](=O)[O-])c1	ZINC000012648452	568885949	/nfs/dbraw/zinc/88/59/49/568885949.db2.gz	XOTUEAMVKCESFV-UHFFFAOYSA-N	0	0	415.435	2.092	50	5		HEBARN
Cc1nc(CN(C)C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)nc2ccccc12	ZINC000058329173	568911592	/nfs/dbraw/zinc/91/15/92/568911592.db2.gz	MZBCMVCAHOKZLQ-UHFFFAOYSA-N	0	0	421.413	2.230	50	5		HEBARN
CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN21	ZINC000001312893	568913917	/nfs/dbraw/zinc/91/39/17/568913917.db2.gz	FDZPDWQOFWXZEN-WTGUMLROSA-N	0	0	418.409	2.371	50	5		HEBARN
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](c2nnc3ccccn32)C1	ZINC000083923722	568926046	/nfs/dbraw/zinc/92/60/46/568926046.db2.gz	KRXXCVMETIATDK-CYBMUJFWSA-N	0	0	417.447	2.214	50	5		HEBARN
Cc1nn(C(=O)CCCn2cc([N+](=O)[O-])cn2)c(C)c1I	ZINC000001423958	568938676	/nfs/dbraw/zinc/93/86/76/568938676.db2.gz	LBSIWJDTJGFYOO-UHFFFAOYSA-N	0	0	403.180	2.330	50	5		HEBARN
CCOC(=O)N1CCN(C(=O)c2ccc3nc4cc(Cl)ccc4c(=O)n3c2)CC1	ZINC000004099938	568942596	/nfs/dbraw/zinc/94/25/96/568942596.db2.gz	UNMIRUUQZPBXIK-UHFFFAOYSA-N	0	0	414.849	2.415	50	5		HEBARN
CC[C@H](C)Sc1nc(-c2ccc([N+](=O)[O-])cc2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000004139148	568945973	/nfs/dbraw/zinc/94/59/73/568945973.db2.gz	UDTWEPXIUFIUOZ-JTQLQIEISA-N	0	0	401.448	2.493	50	5		HEBARN
CCOC(=O)C1CCN(C(=O)COC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1	ZINC000004219517	568952328	/nfs/dbraw/zinc/95/23/28/568952328.db2.gz	HCACHCKSMGKWLA-UHFFFAOYSA-N	0	0	410.448	2.032	50	5		HEBARN
CCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000004313647	568960732	/nfs/dbraw/zinc/96/07/32/568960732.db2.gz	PYSCGYHCAYHZCJ-UHFFFAOYSA-N	0	0	407.448	2.243	50	5		HEBARN
CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)Nc1ccc(F)cc1[N+](=O)[O-]	ZINC000008156057	568977554	/nfs/dbraw/zinc/97/75/54/568977554.db2.gz	PNJHRQKEFNWNPS-SXGWCWSVSA-N	0	0	401.350	2.393	50	5		HEBARN
O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(F)c([N+](=O)[O-])c1	ZINC000012811087	568985185	/nfs/dbraw/zinc/98/51/85/568985185.db2.gz	ALRZZODJYVXGLV-UHFFFAOYSA-N	0	0	410.379	2.308	50	5		HEBARN
COc1ccc(CCNC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1	ZINC000012812938	568986921	/nfs/dbraw/zinc/98/69/21/568986921.db2.gz	PVRBNPYTHIQQDP-UHFFFAOYSA-N	0	0	408.414	2.430	50	5		HEBARN
Cc1ccc(C2N=NC(=S)N2CC(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000012857260	569011198	/nfs/dbraw/zinc/01/11/98/569011198.db2.gz	XFQHGXXSTRULIZ-INIZCTEOSA-N	0	0	413.459	2.300	50	5		HEBARN
CC(C)c1nc(Sc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)n[nH]1	ZINC000012860782	569011694	/nfs/dbraw/zinc/01/16/94/569011694.db2.gz	WIYTZXFPMYZORM-UHFFFAOYSA-N	0	0	413.481	2.008	50	5		HEBARN
O=C(COc1cccnc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000006144238	569014415	/nfs/dbraw/zinc/01/44/15/569014415.db2.gz	GTRBZIZOZDHQCO-UHFFFAOYSA-N	0	0	420.447	2.182	50	5		HEBARN
COc1cccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]2CCS(=O)(=O)C2)c1	ZINC000015952836	569024476	/nfs/dbraw/zinc/02/44/76/569024476.db2.gz	AOFFKEBYYJFTTO-KRWDZBQOSA-N	0	0	404.444	2.433	50	5		HEBARN
C[C@@H](OC(=O)[C@@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)Nc1ccccc1	ZINC000012943510	569028820	/nfs/dbraw/zinc/02/88/20/569028820.db2.gz	CWDFUSRZVVVWHH-VXGBXAGGSA-N	0	0	411.370	2.150	50	5		HEBARN
C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(CC(=O)Nc2ccccc2)CC1	ZINC000012947418	569029168	/nfs/dbraw/zinc/02/91/68/569029168.db2.gz	AORBOUDUFZCIRD-MRXNPFEDSA-N	0	0	411.462	2.178	50	5		HEBARN
O=[N+]([O-])c1cccc(NC(=S)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1	ZINC000016346738	569031578	/nfs/dbraw/zinc/03/15/78/569031578.db2.gz	VAMBXTCUGSMPBV-UHFFFAOYSA-N	0	0	422.488	2.425	50	5		HEBARN
Cc1cccc(C2N=NC(=S)N2CC(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000012995845	569048265	/nfs/dbraw/zinc/04/82/65/569048265.db2.gz	MXQAYSZUVOFKQS-INIZCTEOSA-N	0	0	413.459	2.300	50	5		HEBARN
COc1ccc(CCNC(=O)COC(=O)c2cccc([N+](=O)[O-])c2C)cc1OC	ZINC000001939392	569059815	/nfs/dbraw/zinc/05/98/15/569059815.db2.gz	DUYCCRWFTUXRMU-UHFFFAOYSA-N	0	0	402.403	2.436	50	5		HEBARN
Cc1cccc(C(=O)OCC(=O)N(C)C[C@H]2COc3ccccc3O2)c1[N+](=O)[O-]	ZINC000013159785	569211698	/nfs/dbraw/zinc/21/16/98/569211698.db2.gz	JRPMCYAOXCQINH-AWEZNQCLSA-N	0	0	400.387	2.358	50	5		HEBARN
Cc1c(Cl)cccc1NC(=O)COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000007062424	569216963	/nfs/dbraw/zinc/21/69/63/569216963.db2.gz	KMIRIYQLODVLJE-UHFFFAOYSA-N	0	0	405.794	2.468	50	5		HEBARN
COC(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1	ZINC000007130583	569224648	/nfs/dbraw/zinc/22/46/48/569224648.db2.gz	SLROPGYEICPNMP-LBPRGKRZSA-N	0	0	416.386	2.409	50	5		HEBARN
Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)NCCSC(F)(F)F	ZINC000241515586	569308314	/nfs/dbraw/zinc/30/83/14/569308314.db2.gz	OGJLFRZGTJAIAS-UHFFFAOYSA-N	0	0	408.387	2.252	50	5		HEBARN
Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCC(=O)Nc1ccc(C)cc1[N+](=O)[O-]	ZINC000009544466	569393608	/nfs/dbraw/zinc/39/36/08/569393608.db2.gz	SEHPMPBGSBYCIT-WQRHYEAKSA-N	0	0	422.401	2.378	50	5		HEBARN
COc1ccc(-c2nnc3s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n32)cc1OC	ZINC000002409483	569396482	/nfs/dbraw/zinc/39/64/82/569396482.db2.gz	HUXGEWJSDFCFBS-SXGWCWSVSA-N	0	0	410.411	2.291	50	5		HEBARN
CC(C)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc[nH]n1	ZINC000079060791	569396598	/nfs/dbraw/zinc/39/65/98/569396598.db2.gz	RHBVZFQEHYZFJX-NSHDSACASA-N	0	0	415.859	2.303	50	5		HEBARN
O=[N+]([O-])c1ccc(Oc2ccc3c(c2)OCO3)c(S(=O)(=O)N2CCOCC2)c1	ZINC000013000868	569406300	/nfs/dbraw/zinc/40/63/00/569406300.db2.gz	IAUHCYZIAQYMLX-UHFFFAOYSA-N	0	0	408.388	2.137	50	5		HEBARN
C[C@@H]1CN(CC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c([N+](=O)[O-])c2)C[C@H](C)O1	ZINC000013102189	569409044	/nfs/dbraw/zinc/40/90/44/569409044.db2.gz	OVKBQVHTBUJAAS-FZKCQIBNSA-N	0	0	406.483	2.256	50	5		HEBARN
COC(=O)[C@@H](C)[C@H](NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccccc1	ZINC000079012864	569423645	/nfs/dbraw/zinc/42/36/45/569423645.db2.gz	GYSGNHFVCYBQSW-SJCJKPOMSA-N	0	0	408.432	2.432	50	5		HEBARN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1	ZINC000019889711	569433184	/nfs/dbraw/zinc/43/31/84/569433184.db2.gz	DMPOLVZMDPCVLQ-UHFFFAOYSA-N	0	0	406.420	2.010	50	5		HEBARN
C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1	ZINC000008562435	571081893	/nfs/dbraw/zinc/08/18/93/571081893.db2.gz	XQNITGNSJNNOCE-HNNXBMFYSA-N	0	0	412.446	2.388	50	5		HEBARN
CCOC(=O)CSc1nnc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)s1	ZINC000008684593	571101640	/nfs/dbraw/zinc/10/16/40/571101640.db2.gz	HDCQTICIZFJLNY-UHFFFAOYSA-N	0	0	413.393	2.262	50	5	aggregator	HEBARN
CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000040049845	571142282	/nfs/dbraw/zinc/14/22/82/571142282.db2.gz	HFKYDBOOHXZIPH-MRXNPFEDSA-N	0	0	409.851	2.110	50	5		HEBARN
C[C@H](c1nc(C2CC2)no1)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1	ZINC000040153584	571200832	/nfs/dbraw/zinc/20/08/32/571200832.db2.gz	CVICYZRPWNDSSK-GFCCVEGCSA-N	0	0	421.479	2.142	50	5		HEBARN
CCOc1ccc(NC(=O)COC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1OCC	ZINC000009316970	571247661	/nfs/dbraw/zinc/24/76/61/571247661.db2.gz	YNIAEEIGWTYLMH-UHFFFAOYSA-N	0	0	420.422	2.387	50	5		HEBARN
COc1ccc(OC)c(Nc2nc(N)c([N+](=O)[O-])c(N3C[C@H](C)O[C@@H](C)C3)n2)c1	ZINC000009411388	571255849	/nfs/dbraw/zinc/25/58/49/571255849.db2.gz	BFHXDZLHHDYOMY-QWRGUYRKSA-N	0	0	404.427	2.341	50	5		HEBARN
O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)Nc2ncnc3c2cnn3-c2ccccc2)cc1	ZINC000009513349	571264527	/nfs/dbraw/zinc/26/45/27/571264527.db2.gz	PKEUIIZCHBNXIO-ZWKOTPCHSA-N	0	0	406.402	2.230	50	5		HEBARN
COc1cc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c([N+](=O)[O-])cc1OC	ZINC000009569125	571268604	/nfs/dbraw/zinc/26/86/04/571268604.db2.gz	CKLRRRYIRRWPTR-UHFFFAOYSA-N	0	0	421.431	2.404	50	5		HEBARN
CCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000004193012	132272908	/nfs/dbraw/zinc/27/29/08/132272908.db2.gz	KTDLGUJZVIYTFK-UHFFFAOYSA-N	0	0	418.475	2.454	50	5		HEBARN
CCN1C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[C@@H](C)C[C@@H]32)C(=O)N(C)C1=S	ZINC000004624654	132280646	/nfs/dbraw/zinc/28/06/46/132280646.db2.gz	BOBBKTLZLUOETE-RRBXVBTKSA-N	0	0	416.503	2.348	50	5		HEBARN
CN(C)c1ccc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000004679162	132282498	/nfs/dbraw/zinc/28/24/98/132282498.db2.gz	GWUZLBLUHLYHGB-UHFFFAOYSA-N	0	0	404.492	2.313	50	5		HEBARN
O=C(COc1ccc2c(c1)oc(=O)c1ccccc21)N1CCN(c2ncccn2)CC1	ZINC000009306655	132338350	/nfs/dbraw/zinc/33/83/50/132338350.db2.gz	CYCMMSYNWQPDQT-UHFFFAOYSA-N	0	0	416.437	2.464	50	5		HEBARN
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1	ZINC000025277921	132486303	/nfs/dbraw/zinc/48/63/03/132486303.db2.gz	VPAQYXODIQXBPH-UHFFFAOYSA-N	0	0	419.459	2.267	50	5		HEBARN
C[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN(c2ccccc2)CC1	ZINC000032440581	524491511	/nfs/dbraw/zinc/49/15/11/524491511.db2.gz	NFMUJLLGNKXPAU-MRXNPFEDSA-N	0	0	404.492	2.084	50	5		HEBARN
COCCn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1-c1cccc([N+](=O)[O-])c1	ZINC000002196923	557325673	/nfs/dbraw/zinc/32/56/73/557325673.db2.gz	YPXFTJLNCJYEHJ-UHFFFAOYSA-N	0	0	406.398	2.470	50	5		HEBARN
COCCn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1-c1ccc([N+](=O)[O-])cc1	ZINC000002339998	557338472	/nfs/dbraw/zinc/33/84/72/557338472.db2.gz	QLQLRTWKAUUDLY-UHFFFAOYSA-N	0	0	406.398	2.470	50	5		HEBARN
CC(C)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C1=O	ZINC000229887141	558262076	/nfs/dbraw/zinc/26/20/76/558262076.db2.gz	XTCLYUDAUYPXRY-OXJNMPFZSA-N	0	0	400.435	2.373	50	5		HEBARN
Cc1c(O[C@H](C)C(=O)NCCN2CCOCC2)ccc2c3ccccc3c(=O)oc12	ZINC000020533607	558384922	/nfs/dbraw/zinc/38/49/22/558384922.db2.gz	QQEDUAWECGZXEW-MRXNPFEDSA-N	0	0	410.470	2.470	50	5		HEBARN
COc1ccccc1N1C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@H]2CS(=O)(=O)C[C@H]21	ZINC000004393621	558485989	/nfs/dbraw/zinc/48/59/89/558485989.db2.gz	SFBXONOUYYIQBC-JKSUJKDBSA-N	0	0	403.416	2.216	50	5		HEBARN
CC(C)OC(=O)C[C@@H](NC(=O)c1cnc2ccccn2c1=O)c1ccccc1[N+](=O)[O-]	ZINC000032900183	558741966	/nfs/dbraw/zinc/74/19/66/558741966.db2.gz	PWVRLBPPERYUBS-MRXNPFEDSA-N	0	0	424.413	2.416	50	5		HEBARN
O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C(=O)c2cccs2)C1	ZINC000023018460	558864691	/nfs/dbraw/zinc/86/46/91/558864691.db2.gz	VLVIIHPCWGDAIB-ZBFHGGJFSA-N	0	0	403.460	2.358	50	5		HEBARN
O=C(Nc1ccc(-n2cccn2)nc1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1	ZINC000023073547	558998032	/nfs/dbraw/zinc/99/80/32/558998032.db2.gz	GNSRODDLDAUDSE-LBPRGKRZSA-N	0	0	410.365	2.306	50	5		HEBARN
CN(C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C1CCCCC1	ZINC000023078737	558999324	/nfs/dbraw/zinc/99/93/24/558999324.db2.gz	VBTIYVGWJHFSBH-UHFFFAOYSA-N	0	0	405.451	2.379	50	5		HEBARN
CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c1	ZINC000023078846	558999529	/nfs/dbraw/zinc/99/95/29/558999529.db2.gz	TVTMMDGOYVVVGL-UHFFFAOYSA-N	0	0	421.822	2.485	50	5		HEBARN
CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccc3c(c2)OCO3)c1=N	ZINC000101040910	559142866	/nfs/dbraw/zinc/14/28/66/559142866.db2.gz	SEVNRUHPHLFWBA-UHFFFAOYSA-N	0	0	418.409	2.082	50	5		HEBARN
Cc1sc2ncn(CCC(=O)NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)c(=O)c2c1C	ZINC000014199224	559156249	/nfs/dbraw/zinc/15/62/49/559156249.db2.gz	OCPYZLUONOSTPE-OAHLLOKOSA-N	0	0	416.459	2.223	50	5		HEBARN
Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	ZINC000004834254	559163282	/nfs/dbraw/zinc/16/32/82/559163282.db2.gz	AZDHOUQNFNDTTM-MRXNPFEDSA-N	0	0	403.416	2.222	50	5		HEBARN
Cc1ccccc1OCC(=O)NCC(=O)OCC(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000004865479	559192985	/nfs/dbraw/zinc/19/29/85/559192985.db2.gz	HNPOREASTNJWEU-UHFFFAOYSA-N	0	0	400.387	2.133	50	5		HEBARN
CC[C@H](OC(=O)CN1c2ccccc2C(=O)C1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000005007901	559226881	/nfs/dbraw/zinc/22/68/81/559226881.db2.gz	HUDFQTBOJDIANM-INIZCTEOSA-N	0	0	411.370	2.085	50	5		HEBARN
CN(C)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3cc([N+](=O)[O-])ccc3n2C)cc1	ZINC000011726406	559255807	/nfs/dbraw/zinc/25/58/07/559255807.db2.gz	AQSULAZKCVFLHP-ISLYRVAYSA-N	0	0	420.472	2.139	50	5		HEBARN
O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CC(=O)N(Cc2ccco2)C1	ZINC000005203944	560538357	/nfs/dbraw/zinc/53/83/57/560538357.db2.gz	AGNXXBNNGKJRHM-LBPRGKRZSA-N	0	0	402.359	2.146	50	5		HEBARN
O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CC(=O)N(Cc2ccco2)C1	ZINC000005203939	560538366	/nfs/dbraw/zinc/53/83/66/560538366.db2.gz	AGNXXBNNGKJRHM-GFCCVEGCSA-N	0	0	402.359	2.146	50	5		HEBARN
CCOc1ccc(N2C[C@@H](NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1	ZINC000005222097	560545206	/nfs/dbraw/zinc/54/52/06/560545206.db2.gz	JMCDYBLOZHRQOD-ZDUSSCGKSA-N	0	0	405.432	2.077	50	5		HEBARN
COc1ccc(OC)c(Nc2nc(N)c([N+](=O)[O-])c(N3C[C@@H](C)O[C@@H](C)C3)n2)c1	ZINC000017252014	560705103	/nfs/dbraw/zinc/70/51/03/560705103.db2.gz	BFHXDZLHHDYOMY-PHIMTYICSA-N	0	0	404.427	2.341	50	5		HEBARN
C[C@@H]1CC(=O)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2S1(=O)=O	ZINC000017244139	560705341	/nfs/dbraw/zinc/70/53/41/560705341.db2.gz	DCDUTCWAVDCAQZ-GFCCVEGCSA-N	0	0	403.416	2.132	50	5		HEBARN
Cc1ccc(S(=O)(=O)CC(=O)N=c2sc3cc([N+](=O)[O-])ccc3n2C)cc1	ZINC000101036623	560766833	/nfs/dbraw/zinc/76/68/33/560766833.db2.gz	XWDKTUUPSKREKS-ISLYRVAYSA-N	0	0	405.457	2.358	50	5		HEBARN
CS(=O)(=O)c1ccc(N2CCC[C@@H](c3nnc4ccccn43)C2)c([N+](=O)[O-])c1	ZINC000018175030	560781351	/nfs/dbraw/zinc/78/13/51/560781351.db2.gz	SFUOGEZIRYLLIC-CYBMUJFWSA-N	0	0	401.448	2.425	50	5		HEBARN
COC[C@@](C)(CCO)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1[N+](=O)[O-]	ZINC000107155574	560895832	/nfs/dbraw/zinc/89/58/32/560895832.db2.gz	IHEFLJSVFKVKHE-KBXCAEBGSA-N	0	0	415.512	2.215	50	5		HEBARN
COC(=O)c1ccc(CN(C)C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)cc1	ZINC000048149672	568432191	/nfs/dbraw/zinc/43/21/91/568432191.db2.gz	GKGYYBBXNQXZMW-UHFFFAOYSA-N	0	0	406.416	2.057	50	5		HEBARN
COc1cc(OC)cc(-c2cc(N)n(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)c1	ZINC000020330730	568599397	/nfs/dbraw/zinc/59/93/97/568599397.db2.gz	OOPXCOVTPOFSDZ-UHFFFAOYSA-N	0	0	404.404	2.295	50	5		HEBARN
C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CCN1S(C)(=O)=O	ZINC000095463733	568622092	/nfs/dbraw/zinc/62/20/92/568622092.db2.gz	FYCDXIVSAKAMJU-AWEZNQCLSA-N	0	0	419.459	2.493	50	5		HEBARN
COc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)N3)cc1	ZINC000020717688	568640374	/nfs/dbraw/zinc/64/03/74/568640374.db2.gz	YVVHJZHJQYFDLJ-OAHLLOKOSA-N	0	0	408.374	2.384	50	5		HEBARN
CCOc1ccc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-]	ZINC000096004673	568682361	/nfs/dbraw/zinc/68/23/61/568682361.db2.gz	UBDYHTCJZFFADA-ZDUSSCGKSA-N	0	0	423.466	2.302	50	5		HEBARN
CCOC(=O)c1ccc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	ZINC000000850469	568712161	/nfs/dbraw/zinc/71/21/61/568712161.db2.gz	NMDWRZNKQSARCY-UHFFFAOYSA-N	0	0	411.370	2.396	50	5		HEBARN
COc1ccc(N2C(=S)N(c3ccc([N+](=O)[O-])cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000012421621	568720917	/nfs/dbraw/zinc/72/09/17/568720917.db2.gz	RCSJUGSZMPORPK-DLBZAZTESA-N	0	0	419.484	2.381	50	5		HEBARN
O=C(C[C@H]1C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1	ZINC000001071009	568765280	/nfs/dbraw/zinc/76/52/80/568765280.db2.gz	RYCXXOQTPDYMGW-INIZCTEOSA-N	0	0	416.821	2.218	50	5		HEBARN
C[C@@H]1CN(C(=S)S[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)C[C@H](C)O1	ZINC000215693181	568790977	/nfs/dbraw/zinc/79/09/77/568790977.db2.gz	PAXVYQBQXSRDCW-UHIISALHSA-N	0	0	409.489	2.354	50	5		HEBARN
O=C(O[C@H]1OCCO[C@@H]1OC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]	ZINC000002901972	568815278	/nfs/dbraw/zinc/81/52/78/568815278.db2.gz	HPFUZJJKDBHOCR-QZTJIDSGSA-N	0	0	418.314	2.216	50	5		HEBARN
O=C(C1=C2C(O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2CCCN12)c1ccccc1	ZINC000057063787	568823915	/nfs/dbraw/zinc/82/39/15/568823915.db2.gz	WZBGXKYTPCROJF-MANSERQUSA-N	0	0	405.410	2.430	50	5		HEBARN
COc1cc(NC(=O)CN2CCN(c3ccccc3O)CC2)c(C)cc1[N+](=O)[O-]	ZINC000057352214	568827611	/nfs/dbraw/zinc/82/76/11/568827611.db2.gz	SRSXBKZJHZGYIJ-UHFFFAOYSA-N	0	0	400.435	2.378	50	5		HEBARN
COC(CN(C)[C@H](C(=O)NC1CCCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2)OC	ZINC000034853450	568829408	/nfs/dbraw/zinc/82/94/08/568829408.db2.gz	OTBQGMMYWYULHX-IBGZPJMESA-N	0	0	423.466	2.364	50	5		HEBARN
O=C(O[C@H]1OCCO[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	ZINC000003123029	568856649	/nfs/dbraw/zinc/85/66/49/568856649.db2.gz	PBHVUVQOCMWGCF-QZTJIDSGSA-N	0	0	418.314	2.216	50	5		HEBARN
C[NH+]1CCN(c2ccccc2NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1	ZINC000057672354	568857918	/nfs/dbraw/zinc/85/79/18/568857918.db2.gz	HPHBTFMOCVBRKY-UHFFFAOYSA-N	0	0	407.434	2.180	50	5		HEBARN
Cn1c(N)c(C(=O)COC(=O)c2c3ccccc3cc3ccccc32)c(=O)n(C)c1=O	ZINC000003246681	568867203	/nfs/dbraw/zinc/86/72/03/568867203.db2.gz	MZAHNCSSDVCEHI-UHFFFAOYSA-N	0	0	417.421	2.012	50	5		HEBARN
O=[N+]([O-])c1cccc(CN2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)c1	ZINC000057996983	568873319	/nfs/dbraw/zinc/87/33/19/568873319.db2.gz	VZUSZEVGNUIVBY-UHFFFAOYSA-N	0	0	403.460	2.036	50	5		HEBARN
O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	ZINC000058137712	568890275	/nfs/dbraw/zinc/89/02/75/568890275.db2.gz	ADSZCZUXVGQXKR-OAHLLOKOSA-N	0	0	421.450	2.451	50	5		HEBARN
O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)c2ccccc2c1=O)NC[C@@H]1CCCO1	ZINC000001314795	568913704	/nfs/dbraw/zinc/91/37/04/568913704.db2.gz	WQOQJXYZMCEQFL-INIZCTEOSA-N	0	0	408.414	2.267	50	5		HEBARN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CN1CCOCC1)c1ccccc1	ZINC000012764661	568947621	/nfs/dbraw/zinc/94/76/21/568947621.db2.gz	XVCMSSSLOMQBCZ-GOSISDBHSA-N	0	0	405.476	2.255	50	5		HEBARN
CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(c3c([N+](=O)[O-])ncn3C)CC2)cc1	ZINC000008337014	568993337	/nfs/dbraw/zinc/99/33/37/568993337.db2.gz	CQDVOBTVVJCYHE-AWEZNQCLSA-N	0	0	407.496	2.353	50	5		HEBARN
Cc1nc(Nc2ccc(C(N)=O)cc2)nc(Nc2ccc(C(N)=O)cc2)c1[N+](=O)[O-]	ZINC000008398748	568998062	/nfs/dbraw/zinc/99/80/62/568998062.db2.gz	ZLQJPGIYKYBPDG-UHFFFAOYSA-N	0	0	407.390	2.378	50	5		HEBARN
O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccnn1Cc1ccc(Br)cc1	ZINC000028483372	569007290	/nfs/dbraw/zinc/00/72/90/569007290.db2.gz	MXFQZKDGWDVJKF-UHFFFAOYSA-N	0	0	405.212	2.437	50	5		HEBARN
CC1CCC(NC(=O)COC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1	ZINC000012870503	569013205	/nfs/dbraw/zinc/01/32/05/569013205.db2.gz	JLEYUVDSHOAGAL-UHFFFAOYSA-N	0	0	409.464	2.024	50	5		HEBARN
Cc1ccc(CN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H]2CCS(=O)(=O)C2)o1	ZINC000015952828	569024485	/nfs/dbraw/zinc/02/44/85/569024485.db2.gz	NOEOOAPQBLYTTR-OAHLLOKOSA-N	0	0	408.432	2.091	50	5		HEBARN
COC(=O)C1CCN(CC(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)CC1	ZINC000006472043	569058043	/nfs/dbraw/zinc/05/80/43/569058043.db2.gz	VLTDHUGFPUWSEE-UHFFFAOYSA-N	0	0	409.442	2.473	50	5		HEBARN
Cc1ccccc1CN(C)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-]	ZINC000036446979	569185100	/nfs/dbraw/zinc/18/51/00/569185100.db2.gz	BIFVSQQCQUWJCR-UHFFFAOYSA-N	0	0	418.519	2.476	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(C(F)(F)F)n1N	ZINC000036640275	569216923	/nfs/dbraw/zinc/21/69/23/569216923.db2.gz	MSWOSBYYZJIZJY-LURJTMIESA-N	0	0	406.346	2.047	50	5		HEBARN
CS(=O)(=O)c1ccc(NCCNC(=O)c2ccc3c(c2)CCC3)c([N+](=O)[O-])c1	ZINC000007258475	569230646	/nfs/dbraw/zinc/23/06/46/569230646.db2.gz	JGJPUNINDMLKKR-UHFFFAOYSA-N	0	0	403.460	2.329	50	5		HEBARN
CCN1C(=O)[C@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3N=Cc4ccccc4[C@@H]3[C@H]2C1=O	ZINC000249694287	569255339	/nfs/dbraw/zinc/25/53/39/569255339.db2.gz	OUFAZERCQOPLKE-WJFTUGDTSA-N	0	0	418.409	2.172	50	5		HEBARN
COC(=O)c1c(C)c(C(N)=O)sc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000002101898	569281237	/nfs/dbraw/zinc/28/12/37/569281237.db2.gz	MIECQUOSAUARKH-UHFFFAOYSA-N	0	0	408.348	2.011	50	5		HEBARN
COc1nc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)ncc1C(=O)NCC(C)C	ZINC000037523952	569303753	/nfs/dbraw/zinc/30/37/53/569303753.db2.gz	JOJHNQROUGGOSP-UHFFFAOYSA-N	0	0	414.466	2.106	50	5		HEBARN
Cc1ccc(C(=O)N[C@@H](C(N)=O)P(=O)(OC(C)C)OC(C)C)cc1[N+](=O)[O-]	ZINC000002283095	569364255	/nfs/dbraw/zinc/36/42/55/569364255.db2.gz	DXPGTRATEMAZEP-MRXNPFEDSA-N	0	0	401.356	2.488	50	5		HEBARN
O=[N+]([O-])c1ccc(OCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	ZINC000002320472	569375029	/nfs/dbraw/zinc/37/50/29/569375029.db2.gz	HUSOYSJSIPABOJ-UHFFFAOYSA-N	0	0	408.432	2.074	50	5		HEBARN
Cc1ccc(S(=O)(=O)NCc2ccccc2CN2CCOCC2)cc1[N+](=O)[O-]	ZINC000012791307	569403417	/nfs/dbraw/zinc/40/34/17/569403417.db2.gz	OLFOWMJDUKCJEH-UHFFFAOYSA-N	0	0	405.476	2.214	50	5		HEBARN
C[C@@H]1CN(CC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c([N+](=O)[O-])c2)C[C@@H](C)O1	ZINC000013102187	569409032	/nfs/dbraw/zinc/40/90/32/569409032.db2.gz	OVKBQVHTBUJAAS-WCVJEAGWSA-N	0	0	406.483	2.256	50	5		HEBARN
O=C(N1CCCCC1)N1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1	ZINC000040118773	571175065	/nfs/dbraw/zinc/17/50/65/571175065.db2.gz	QAZSJFCXFNJDCE-UHFFFAOYSA-N	0	0	400.439	2.368	50	5		HEBARN
O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCc1ccccc1N1CCCC1	ZINC000040158513	571204973	/nfs/dbraw/zinc/20/49/73/571204973.db2.gz	IHDHHNUYVZICID-UHFFFAOYSA-N	0	0	410.430	2.237	50	5		HEBARN
COc1cccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000009284236	571244985	/nfs/dbraw/zinc/24/49/85/571244985.db2.gz	WWHRKOBEWVNUMR-UHFFFAOYSA-N	0	0	421.793	2.169	50	5		HEBARN
O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000009391860	571254690	/nfs/dbraw/zinc/25/46/90/571254690.db2.gz	OBIUECCEKCZPBU-UHFFFAOYSA-N	0	0	406.420	2.260	50	5		HEBARN
CCN(C(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1)[C@H]1CCS(=O)(=O)C1	ZINC000009613107	571273872	/nfs/dbraw/zinc/27/38/72/571273872.db2.gz	NBYVHJCSPNGETH-NSHDSACASA-N	0	0	415.518	2.332	50	5		HEBARN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)cc1	ZINC000010213429	132244702	/nfs/dbraw/zinc/24/47/02/132244702.db2.gz	UZMXWROJINQMDT-UHFFFAOYSA-N	0	0	411.461	2.326	50	5		HEBARN
COc1ccc(OC)c(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1	ZINC000004193014	132272884	/nfs/dbraw/zinc/27/28/84/132272884.db2.gz	KGKMLHHUPFUXSG-UHFFFAOYSA-N	0	0	407.448	2.123	50	5		HEBARN
Cc1cccc(N2CCN(C(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)CC2)c1C	ZINC000007283724	132323772	/nfs/dbraw/zinc/32/37/72/132323772.db2.gz	LEJWHTHQOCHLCL-UHFFFAOYSA-N	0	0	410.430	2.468	50	5		HEBARN
COc1cccc(CNC(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)c1	ZINC000012801326	132367412	/nfs/dbraw/zinc/36/74/12/132367412.db2.gz	ASQALEJFGLBSIC-UHFFFAOYSA-N	0	0	412.446	2.202	50	5		HEBARN
C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000020857201	132471262	/nfs/dbraw/zinc/47/12/62/132471262.db2.gz	LJEYMQNAZGXVJX-GJZGRUSLSA-N	0	0	405.451	2.378	50	5		HEBARN
CC1CCC(N(C)S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CC1	ZINC000032770683	520937574	/nfs/dbraw/zinc/93/75/74/520937574.db2.gz	LKCFHIKTQGQEOT-UHFFFAOYSA-N	0	0	419.525	2.044	50	5		HEBARN
CCCCn1c2nc(CN3CCc4cc([N+](=O)[O-])ccc43)n(CC)c2c(=O)[nH]c1=O	ZINC000032854012	521375595	/nfs/dbraw/zinc/37/55/95/521375595.db2.gz	WHZWQWCECGJZDI-UHFFFAOYSA-N	0	0	412.450	2.177	50	5		HEBARN
C[C@@H]1CN(C(=O)C2CCN(Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)C[C@H](C)O1	ZINC000045801705	524760740	/nfs/dbraw/zinc/76/07/40/524760740.db2.gz	XDHVQWQPXFRAMT-GASCZTMLSA-N	0	0	401.467	2.250	50	5		HEBARN
CCOC(=O)[C@@H]1CCCN(c2ccc(S(=O)(=O)NC(C)(C)C)cc2[N+](=O)[O-])C1	ZINC000015208598	535526172	/nfs/dbraw/zinc/52/61/72/535526172.db2.gz	SUOXDGVFXBUEMN-CYBMUJFWSA-N	0	0	413.496	2.451	50	5		HEBARN
Cc1ccc(NC(=O)CN(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000010834055	558478093	/nfs/dbraw/zinc/47/80/93/558478093.db2.gz	JFUDWUDLQVLIGS-CQSZACIVSA-N	0	0	407.448	2.124	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1	ZINC000229979139	558487906	/nfs/dbraw/zinc/48/79/06/558487906.db2.gz	PHCUCRZMSHHYEJ-SUNYJGFJSA-N	0	0	416.478	2.406	50	5		HEBARN
Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)N1CCOCC1	ZINC000004412747	558512444	/nfs/dbraw/zinc/51/24/44/558512444.db2.gz	CESQTZJGZLEXEM-UHFFFAOYSA-N	0	0	405.432	2.176	50	5		HEBARN
O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1	ZINC000004482070	558602810	/nfs/dbraw/zinc/60/28/10/558602810.db2.gz	DPANRFFRUKRGLS-UHFFFAOYSA-N	0	0	409.395	2.007	50	5		HEBARN
Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)NCCc1nc2ccccc2[nH]1	ZINC000004625436	558888628	/nfs/dbraw/zinc/88/86/28/558888628.db2.gz	KOKGXLRSGRDBOR-UHFFFAOYSA-N	0	0	407.228	2.097	50	5		HEBARN
O=C(CNc1ccc(F)c([N+](=O)[O-])c1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1	ZINC000011160786	558895030	/nfs/dbraw/zinc/89/50/30/558895030.db2.gz	JFDARBMSPXWJRW-OAHLLOKOSA-N	0	0	407.423	2.366	50	5		HEBARN
COc1cc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)c([N+](=O)[O-])cc1OC	ZINC000023105684	559009719	/nfs/dbraw/zinc/00/97/19/559009719.db2.gz	AVEUIGBKQIYDAS-HNNXBMFYSA-N	0	0	421.475	2.477	50	5		HEBARN
O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)c1	ZINC000023108117	559010878	/nfs/dbraw/zinc/01/08/78/559010878.db2.gz	XASRCMJLQARVGF-GOSISDBHSA-N	0	0	409.439	2.086	50	5		HEBARN
CCCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2cccnc2)c1=N	ZINC000101114741	559143427	/nfs/dbraw/zinc/14/34/27/559143427.db2.gz	RLPKCWKTPYSENG-UHFFFAOYSA-N	0	0	402.458	2.102	50	5		HEBARN
O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000004940686	559213552	/nfs/dbraw/zinc/21/35/52/559213552.db2.gz	LTMKUEOTGHZFEM-UHFFFAOYSA-N	0	0	409.807	2.422	50	5		HEBARN
COc1cc(NC(=O)[C@H](C)N2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)ccc1[N+](=O)[O-]	ZINC000005041860	559235434	/nfs/dbraw/zinc/23/54/34/559235434.db2.gz	BCWBMOADFUDQBC-XDTLVQLUSA-N	0	0	407.810	2.448	50	5		HEBARN
O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000005087716	559243093	/nfs/dbraw/zinc/24/30/93/559243093.db2.gz	AASVFUYNMRKLEW-MRXNPFEDSA-N	0	0	409.446	2.232	50	5		HEBARN
COCCCn1c(=N)c(C(=O)NC2CCCC2)cc2c1nc1ccc(C)cn1c2=O	ZINC000100628031	559245557	/nfs/dbraw/zinc/24/55/57/559245557.db2.gz	UUFNGBPDHKCOMG-UHFFFAOYSA-N	0	0	409.490	2.146	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1NC(=S)N[C@@H](NC=O)C(Cl)(Cl)Cl	ZINC000005119541	559247535	/nfs/dbraw/zinc/24/75/35/559247535.db2.gz	VFTHFVSZZWYAOY-SECBINFHSA-N	0	0	401.659	2.332	50	5		HEBARN
O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCC(=O)c1c[nH]c2ccccc21	ZINC000002660155	560587412	/nfs/dbraw/zinc/58/74/12/560587412.db2.gz	UKYLWXLOOHOZGP-UHFFFAOYSA-N	0	0	421.365	2.488	50	5		HEBARN
CCn1c(=N)c(S(=O)(=O)c2ccc(F)cc2)cc2c1nc1c(C)cccn1c2=O	ZINC000100943678	560763531	/nfs/dbraw/zinc/76/35/31/560763531.db2.gz	DVRXAJWIEFVNPH-UHFFFAOYSA-N	0	0	412.446	2.429	50	5		HEBARN
CCOC(=O)C1=C(COC(=O)c2ccc([N+](=O)[O-])cc2)NC(=O)N[C@H]1c1ccco1	ZINC000018186833	560782058	/nfs/dbraw/zinc/78/20/58/560782058.db2.gz	AAFUZJMAHKHARV-INIZCTEOSA-N	0	0	415.358	2.216	50	5		HEBARN
COc1cccc(C2=NO[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(O)=C23)c1OC	ZINC000102890620	560832966	/nfs/dbraw/zinc/83/29/66/560832966.db2.gz	HYJZTRGMCUCHGI-MAUKXSAKSA-N	0	0	411.370	2.213	50	5		HEBARN
COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(O)=C23)c(OC)c1	ZINC000104067896	560847849	/nfs/dbraw/zinc/84/78/49/560847849.db2.gz	HQFBSTJYGJNOAN-WMZOPIPTSA-N	0	0	411.370	2.213	50	5		HEBARN
O=C(NCC1CC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(C(=O)c3ccco3)C[C@H]12	ZINC000104915505	560856534	/nfs/dbraw/zinc/85/65/34/560856534.db2.gz	GQFWLMZYDZSXQN-IEBWSBKVSA-N	0	0	424.457	2.217	50	5		HEBARN
Cc1ccc(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000024647944	568455067	/nfs/dbraw/zinc/45/50/67/568455067.db2.gz	LBESPTXPJPMSJF-UHFFFAOYSA-N	0	0	405.432	2.176	50	5		HEBARN
COc1ccc(/C=C(/NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)N2CCOCC2)cc1	ZINC000000825113	568497979	/nfs/dbraw/zinc/49/79/79/568497979.db2.gz	GURGVJOHIGYMIH-XMHGGMMESA-N	0	0	411.414	2.233	50	5		HEBARN
CCCCNC(=O)CCn1c(=O)c2ccccc2n(Cc2cccc([N+](=O)[O-])c2)c1=O	ZINC000020152936	568590865	/nfs/dbraw/zinc/59/08/65/568590865.db2.gz	ZSEADQOWDIMBSV-UHFFFAOYSA-N	0	0	424.457	2.426	50	5		HEBARN
COc1ccc(-c2cc(N)n(S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)c(OC)c1	ZINC000020330710	568599290	/nfs/dbraw/zinc/59/92/90/568599290.db2.gz	VAJGRAYIZDLGMS-UHFFFAOYSA-N	0	0	404.404	2.295	50	5		HEBARN
Cn1ncc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1C(F)F	ZINC000095442251	568611055	/nfs/dbraw/zinc/61/10/55/568611055.db2.gz	AXTHIWZEVVTHAD-UHFFFAOYSA-N	0	0	417.394	2.030	50	5		HEBARN
COCCn1c2nc(-c3cccc([N+](=O)[O-])c3)cc(C(=O)OC)c2c(=O)[nH]c1=S	ZINC000020605697	568635598	/nfs/dbraw/zinc/63/55/98/568635598.db2.gz	HNNQHPGJBIXHTG-UHFFFAOYSA-N	0	0	416.415	2.462	50	5		HEBARN
COc1ccc(NC(=O)COc2ccccc2C(=O)N2CCOCC2)c([N+](=O)[O-])c1	ZINC000024980357	568693500	/nfs/dbraw/zinc/69/35/00/568693500.db2.gz	HXIBGOOJZJFGRL-UHFFFAOYSA-N	0	0	415.402	2.093	50	5		HEBARN
Cc1c(C(N)=O)nn(C(C)C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC1	ZINC000096279249	568717470	/nfs/dbraw/zinc/71/74/70/568717470.db2.gz	CSNDDHBHIHEHIK-UHFFFAOYSA-N	0	0	423.451	2.013	50	5		HEBARN
CCNC(=O)c1cccc(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])c1	ZINC000015023557	568743446	/nfs/dbraw/zinc/74/34/46/568743446.db2.gz	NWMHMQXRPGFEMT-UHFFFAOYSA-N	0	0	402.432	2.174	50	5		HEBARN
COc1cc(C(=O)OCC(=O)N(C)Cc2ccsc2)c([N+](=O)[O-])c(OC)c1OC	ZINC000025203840	568758911	/nfs/dbraw/zinc/75/89/11/568758911.db2.gz	BAFXVZRJEPDKJY-UHFFFAOYSA-N	0	0	424.431	2.498	50	5		HEBARN
C[C@@H](C[S@@](C)=O)NC(=O)C(C)(C)Nc1ccc(Br)cc1[N+](=O)[O-]	ZINC000225734131	568780101	/nfs/dbraw/zinc/78/01/01/568780101.db2.gz	LENFCZIZRLCRFD-YGWIHHTISA-N	0	0	406.302	2.431	50	5		HEBARN
CCCN1C(=O)N(C)C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C1=O	ZINC000230038624	568803399	/nfs/dbraw/zinc/80/33/99/568803399.db2.gz	VNWBFPSBFQSRSG-JXFKEZNVSA-N	0	0	400.435	2.327	50	5		HEBARN
O=C(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000002784004	568808428	/nfs/dbraw/zinc/80/84/28/568808428.db2.gz	KZQRXGSBHSHTFU-UHFFFAOYSA-N	0	0	409.851	2.395	50	5		HEBARN
COC(=O)c1sc2ncn3nc([C@@H](C)n4cc([N+](=O)[O-])c(OC)n4)nc3c2c1C	ZINC000002789977	568809197	/nfs/dbraw/zinc/80/91/97/568809197.db2.gz	OJZNAYGVYJNKTN-MRVPVSSYSA-N	0	0	417.407	2.157	50	5		HEBARN
CCOc1ccc(N2C[C@@H](C(=O)NC[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1	ZINC000029697146	568828655	/nfs/dbraw/zinc/82/86/55/568828655.db2.gz	LHRDXDHNPKJQBA-KXBFYZLASA-N	0	0	413.430	2.196	50	5		HEBARN
CN1C(=O)c2ccc(NC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2C1=O	ZINC000012545378	568850182	/nfs/dbraw/zinc/85/01/82/568850182.db2.gz	XOTNOAJOBPTDQZ-UHFFFAOYSA-N	0	0	409.402	2.175	50	5		HEBARN
CNS(=O)(=O)c1ccc(N[C@H](c2nccn2C)c2ccccc2)c([N+](=O)[O-])c1	ZINC000012580102	568863507	/nfs/dbraw/zinc/86/35/07/568863507.db2.gz	RBKJBRMBWHCPTG-KRWDZBQOSA-N	0	0	401.448	2.438	50	5		HEBARN
COc1cc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)c([N+](=O)[O-])cc1OC	ZINC000003412711	568898550	/nfs/dbraw/zinc/89/85/50/568898550.db2.gz	VSILTISWUGPMLK-UHFFFAOYSA-N	0	0	403.343	2.423	50	5		HEBARN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CN1CCOCC1)c1ccccc1	ZINC000012764656	568947553	/nfs/dbraw/zinc/94/75/53/568947553.db2.gz	XVCMSSSLOMQBCZ-SFHVURJKSA-N	0	0	405.476	2.255	50	5		HEBARN
COc1ccc(-c2cc(C(F)(F)F)nc(-n3cc([N+](=O)[O-])c(C(N)=O)n3)n2)cc1	ZINC000004176431	568948046	/nfs/dbraw/zinc/94/80/46/568948046.db2.gz	AWSPMXYAJDJBIC-UHFFFAOYSA-N	0	0	408.296	2.364	50	5		HEBARN
Cc1cc(=O)c(C(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1F	ZINC000012778266	568956038	/nfs/dbraw/zinc/95/60/38/568956038.db2.gz	DAXHWPOJXOOWMU-SFHVURJKSA-N	0	0	412.377	2.052	50	5		HEBARN
Cc1ccc(N2C[C@H](C(=O)NC[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1F	ZINC000012918823	569022769	/nfs/dbraw/zinc/02/27/69/569022769.db2.gz	VKRHTOIYMKUYQZ-KDOFPFPSSA-N	0	0	401.394	2.245	50	5		HEBARN
COc1ccc(F)cc1CN1CCN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1	ZINC000012944394	569028960	/nfs/dbraw/zinc/02/89/60/569028960.db2.gz	VECPCFZKUZUZLZ-UHFFFAOYSA-N	0	0	416.409	2.426	50	5		HEBARN
Cc1ccc(N2C[C@@H](C(=O)OCc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2=O)cc1F	ZINC000026474640	569032049	/nfs/dbraw/zinc/03/20/49/569032049.db2.gz	FGTANPVZCLILJK-AWEZNQCLSA-N	0	0	415.377	2.238	50	5		HEBARN
Cc1cccc(N2CCN(CCNS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1	ZINC000026834304	569057022	/nfs/dbraw/zinc/05/70/22/569057022.db2.gz	LARNMCBTNMXNHS-UHFFFAOYSA-N	0	0	404.492	2.004	50	5		HEBARN
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000006984050	569195814	/nfs/dbraw/zinc/19/58/14/569195814.db2.gz	VDRAEOWATJMTRD-INIZCTEOSA-N	0	0	420.491	2.348	50	5		HEBARN
CN(CCN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-])CC(F)F	ZINC000170619635	569248342	/nfs/dbraw/zinc/24/83/42/569248342.db2.gz	VXCCBQJJTKJGMK-UHFFFAOYSA-N	0	0	420.482	2.403	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1	ZINC000252517708	569292236	/nfs/dbraw/zinc/29/22/36/569292236.db2.gz	PHCUCRZMSHHYEJ-DEYYWGMASA-N	0	0	416.478	2.406	50	5		HEBARN
COc1cccc(N2C(=O)N(c3ccc([N+](=O)[O-])cc3)[C@H]3CS(=O)(=O)C[C@@H]32)c1	ZINC000007718529	569302092	/nfs/dbraw/zinc/30/20/92/569302092.db2.gz	GNJYLGZWPQCFLP-IRXDYDNUSA-N	0	0	403.416	2.216	50	5		HEBARN
O=C(COc1ccccc1[N+](=O)[O-])OCC(=O)c1cc2c3c(c1)CCCN3C(=O)C2	ZINC000007779321	569309270	/nfs/dbraw/zinc/30/92/70/569309270.db2.gz	FKCOHPYBYKNMMQ-UHFFFAOYSA-N	0	0	410.382	2.235	50	5		HEBARN
C[C@@H](C(=O)OCCOc1ccccc1F)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000012787946	569403432	/nfs/dbraw/zinc/40/34/32/569403432.db2.gz	RCPIHRLFVVAMRL-NSHDSACASA-N	0	0	402.334	2.341	50	5		HEBARN
CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C3c1cccc(Br)c1	ZINC000019320415	569417292	/nfs/dbraw/zinc/41/72/92/569417292.db2.gz	RUFKIHWOTUJKGW-UHFFFAOYSA-N	0	0	411.256	2.150	50	5		HEBARN
CN(Cc1cccs1)C(=O)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000008646665	571098065	/nfs/dbraw/zinc/09/80/65/571098065.db2.gz	YTZDZXZKEHGZFP-GOSISDBHSA-N	0	0	402.432	2.082	50	5		HEBARN
NC(=O)CCn1c(SCCOc2cccc([N+](=O)[O-])c2)nnc1-c1ccco1	ZINC000040127883	571179512	/nfs/dbraw/zinc/17/95/12/571179512.db2.gz	PGUPPGHNQODBTO-UHFFFAOYSA-N	0	0	403.420	2.493	50	5		HEBARN
COC(=O)c1cn([C@@H]2CCCC[C@H]2NC(=O)CCNc2ccccc2[N+](=O)[O-])nn1	ZINC000040152498	571200062	/nfs/dbraw/zinc/20/00/62/571200062.db2.gz	FFRUZYFDYVYAKP-GDBMZVCRSA-N	0	0	416.438	2.075	50	5		HEBARN
C[C@]12C[C@H](CC(C)(C)C1)N1c3ccc([N+](=O)[O-])cc3CC3(C(=O)NC(=O)NC3=O)[C@@H]12	ZINC000009111242	571223211	/nfs/dbraw/zinc/22/32/11/571223211.db2.gz	WXTBTYWPGPEHNG-KPHUOKFYSA-N	0	0	412.446	2.277	50	5		HEBARN
CN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@H](c4ccccc4)C[C@@H]32)C1=O	ZINC000245325961	571224501	/nfs/dbraw/zinc/22/45/01/571224501.db2.gz	IGIWMSQJNVGVPB-YBOAYWMSSA-N	0	0	420.425	2.208	50	5		HEBARN
Cn1c2c(c(-c3cccc([N+](=O)[O-])c3)n3c2[C@H](c2ccco2)OCC3)c(=O)n(C)c1=O	ZINC000009429899	571258191	/nfs/dbraw/zinc/25/81/91/571258191.db2.gz	UTFWFYACGDSIBQ-IBGZPJMESA-N	0	0	422.397	2.327	50	5		HEBARN
COc1cccc(-c2n[nH]c(=O)c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)n2nnnc2N3)c1	ZINC000010296827	571299628	/nfs/dbraw/zinc/29/96/28/571299628.db2.gz	ZFSYFIVBHHNORK-QGZVFWFLSA-N	0	0	418.373	2.447	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1OCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000009658934	132234333	/nfs/dbraw/zinc/23/43/33/132234333.db2.gz	FUGWWSZPIVUUEC-UHFFFAOYSA-N	0	0	416.390	2.239	50	5		HEBARN
COc1cccc(N2C(=O)C[C@@H](N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)c1	ZINC000004044459	132270050	/nfs/dbraw/zinc/27/00/50/132270050.db2.gz	OIGOFFWCLDWCNA-LJQANCHMSA-N	0	0	410.430	2.058	50	5		HEBARN
CCCN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C1=O	ZINC000004594385	132279734	/nfs/dbraw/zinc/27/97/34/132279734.db2.gz	WHOQXNBDZSLJMB-UZLBHIALSA-N	0	0	400.435	2.375	50	5		HEBARN
O=[N+]([O-])c1ccc(Nc2nc(OCC(F)(F)F)nc(N3CCOCC3)n2)cc1	ZINC000004663217	132281452	/nfs/dbraw/zinc/28/14/52/132281452.db2.gz	HQLTUFSMNDZFBZ-UHFFFAOYSA-N	0	0	400.317	2.301	50	5		HEBARN
Cc1cccc(N2CCN(c3cc(NCCO)c([N+](=O)[O-])c4nonc43)CC2)c1C	ZINC000004686316	132283014	/nfs/dbraw/zinc/28/30/14/132283014.db2.gz	USVMNOVGCYAIKD-UHFFFAOYSA-N	0	0	412.450	2.479	50	5		HEBARN
CN1CCN(c2nc(N3CCC(Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])CC1	ZINC000005157533	132303464	/nfs/dbraw/zinc/30/34/64/132303464.db2.gz	AKVIXOCGPRORMJ-UHFFFAOYSA-N	0	0	411.510	2.178	50	5		HEBARN
O=C(NCCCNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccs1	ZINC000007466456	132324591	/nfs/dbraw/zinc/32/45/91/132324591.db2.gz	DWSPEPFCDIHQGQ-UHFFFAOYSA-N	0	0	418.475	2.043	50	5		HEBARN
CC(C)N1C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)NC1=S	ZINC000008742946	132333033	/nfs/dbraw/zinc/33/30/33/132333033.db2.gz	VLVUMFFSSUZIMU-BEFAXECRSA-N	0	0	402.476	2.148	50	5		HEBARN
CCCC(=O)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1	ZINC000018040557	132465821	/nfs/dbraw/zinc/46/58/21/132465821.db2.gz	RGTXOKLJOOPFBK-UHFFFAOYSA-N	0	0	412.512	2.074	50	5		HEBARN
CCNC(=O)C1CN(c2ccc(S(=O)(=O)NC3CCC(C)CC3)cc2[N+](=O)[O-])C1	ZINC000072313868	521733943	/nfs/dbraw/zinc/73/39/43/521733943.db2.gz	NEFSNFCBELFUHN-UHFFFAOYSA-N	0	0	424.523	2.024	50	5		HEBARN
COC(=O)C1=C(C(=O)OC)N(c2ccccc2)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000032936422	522863393	/nfs/dbraw/zinc/86/33/93/522863393.db2.gz	VHFZRKKVGWNSJG-INIZCTEOSA-N	0	0	411.370	2.466	50	5		HEBARN
CCOC(=O)CN(CC(F)(F)F)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000060247071	558792211	/nfs/dbraw/zinc/79/22/11/558792211.db2.gz	ZXUHCAYSPAWOPR-UHFFFAOYSA-N	0	0	400.313	2.348	50	5		HEBARN
COc1cc(C(=O)N2CCN(c3nccs3)CC2)c([N+](=O)[O-])c(OC)c1OC	ZINC000011187755	558930640	/nfs/dbraw/zinc/93/06/40/558930640.db2.gz	LDIKMTRFXBUMNZ-UHFFFAOYSA-N	0	0	408.436	2.040	50	5		HEBARN
Cc1ccc(C(=O)COC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)cc1[N+](=O)[O-]	ZINC000005040810	559235679	/nfs/dbraw/zinc/23/56/79/559235679.db2.gz	ZFFCTWUSUQEVTQ-RBZFPXEDSA-N	0	0	417.418	2.130	50	5		HEBARN
O=C(COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2	ZINC000005708598	560804782	/nfs/dbraw/zinc/80/47/82/560804782.db2.gz	ZXGXZWFBLUJGID-UHFFFAOYSA-N	0	0	414.370	2.200	50	5		HEBARN
COc1ccc(OC)c(C2=NO[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(O)=C23)c1	ZINC000102885069	560834138	/nfs/dbraw/zinc/83/41/38/560834138.db2.gz	WZUUZSSWXMLOCE-WMZOPIPTSA-N	0	0	411.370	2.213	50	5		HEBARN
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H](C)Cn1ccnc1	ZINC000048235835	568432792	/nfs/dbraw/zinc/43/27/92/568432792.db2.gz	DGLPAKBIXVQWAP-WBMJQRKESA-N	0	0	407.858	2.404	50	5		HEBARN
CC(C)(C)c1nc(CN2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)no1	ZINC000048253647	568434444	/nfs/dbraw/zinc/43/44/44/568434444.db2.gz	YWXFGDTWBSJTEZ-UHFFFAOYSA-N	0	0	423.495	2.001	50	5		HEBARN
COc1ccc(NC(=O)[C@H](C)N2CCN(C(=O)c3cccs3)CC2)c([N+](=O)[O-])c1	ZINC000024671911	568456435	/nfs/dbraw/zinc/45/64/35/568456435.db2.gz	HIGVMKYVJRLPPS-ZDUSSCGKSA-N	0	0	418.475	2.450	50	5		HEBARN
CC1CCN(S(=O)(=O)c2ccc(N3CCC[C@@H]3C(=O)N(C)C)c([N+](=O)[O-])c2)CC1	ZINC000024717619	568457573	/nfs/dbraw/zinc/45/75/73/568457573.db2.gz	VRSGLPHUDGLTBQ-QGZVFWFLSA-N	0	0	424.523	2.072	50	5		HEBARN
COc1ccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)cc1	ZINC000012348767	568495569	/nfs/dbraw/zinc/49/55/69/568495569.db2.gz	WYFKTUWRGGZNLL-UHFFFAOYSA-N	0	0	400.420	2.307	50	5		HEBARN
COc1ccc(C(=O)N2CCN(Cc3nc4cc([N+](=O)[O-])ccc4n3C)CC2)cc1	ZINC000020519133	568625600	/nfs/dbraw/zinc/62/56/00/568625600.db2.gz	UHHGQQVJETYFAJ-UHFFFAOYSA-N	0	0	409.446	2.448	50	5		HEBARN
C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(=O)N[C@@H](C)c1ccccc1	ZINC000022087588	568764812	/nfs/dbraw/zinc/76/48/12/568764812.db2.gz	SXGMNXLEFRLGCJ-UONOGXRCSA-N	0	0	401.419	2.422	50	5		HEBARN
O=C(NN1C(=O)c2ccc(C(=O)c3cccc([N+](=O)[O-])c3)cc2C1=O)c1ccncc1	ZINC000001051586	568764831	/nfs/dbraw/zinc/76/48/31/568764831.db2.gz	YPRVVLZCFPCKSZ-UHFFFAOYSA-N	0	0	416.349	2.162	50	5		HEBARN
O=C(/C=C\c1ccccc1[N+](=O)[O-])OCC(=O)NCCc1ccc2c(c1)OCCO2	ZINC000096936682	568765327	/nfs/dbraw/zinc/76/53/27/568765327.db2.gz	IZUXWWVTLRLNCJ-VURMDHGXSA-N	0	0	412.398	2.281	50	5		HEBARN
COc1ccc(C(=O)COC(=O)[C@H](C)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	ZINC000001138057	568773481	/nfs/dbraw/zinc/77/34/81/568773481.db2.gz	HCCTUMVTDMCJOJ-NSHDSACASA-N	0	0	412.354	2.014	50	5		HEBARN
CCCCn1c(CNC(=O)c2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)OC	ZINC000002724051	568802884	/nfs/dbraw/zinc/80/28/84/568802884.db2.gz	PKSWZQGYGPKXAG-UHFFFAOYSA-N	0	0	407.452	2.182	50	5		HEBARN
Cc1nn(CC(=O)OCCCCN2C(=O)c3ccccc3C2=O)c(C)c1[N+](=O)[O-]	ZINC000005825616	568824431	/nfs/dbraw/zinc/82/44/31/568824431.db2.gz	FAOYJXPSRSEGPC-UHFFFAOYSA-N	0	0	400.391	2.028	50	5		HEBARN
Cn1ccnc1[C@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccccc1	ZINC000029813375	568834463	/nfs/dbraw/zinc/83/44/63/568834463.db2.gz	DUESEYVHTNPCKA-GOSISDBHSA-N	0	0	403.402	2.428	50	5		HEBARN
O=C(COC(=O)[C@@H]1CCCN1C(=O)c1cccs1)Nc1cccc([N+](=O)[O-])c1	ZINC000003228378	568847531	/nfs/dbraw/zinc/84/75/31/568847531.db2.gz	MKSNWMYMGFCMTB-AWEZNQCLSA-N	0	0	403.416	2.443	50	5		HEBARN
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)COc1ccccc1[N+](=O)[O-]	ZINC000003449087	568905147	/nfs/dbraw/zinc/90/51/47/568905147.db2.gz	HBFNJNMIXRDIDG-UHFFFAOYSA-N	0	0	414.418	2.419	50	5		HEBARN
COc1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c([N+](=O)[O-])c1	ZINC000012660773	568907093	/nfs/dbraw/zinc/90/70/93/568907093.db2.gz	RVXXQUAQHFQWKG-OAQYLSRUSA-N	0	0	424.413	2.326	50	5		HEBARN
CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN21	ZINC000248379516	568917456	/nfs/dbraw/zinc/91/74/56/568917456.db2.gz	NBKPSVBOLWSLHR-MKXGPGLRSA-N	0	0	404.382	2.062	50	5		HEBARN
O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)Nc1cccc([N+](=O)[O-])c1	ZINC000004166026	568919025	/nfs/dbraw/zinc/91/90/25/568919025.db2.gz	SBHYMNBWNOWMLA-UHFFFAOYSA-N	0	0	408.349	2.268	50	5		HEBARN
O=[N+]([O-])c1ccc([C@@H](O)CNS(=O)(=O)c2ccc(Br)cc2)cc1	ZINC000606428348	568930190	/nfs/dbraw/zinc/93/01/90/568930190.db2.gz	IQUVRGBZGZOGHF-AWEZNQCLSA-N	0	0	401.238	2.369	50	5		HEBARN
COc1ccc(C(=O)NCC(=O)Nc2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-]	ZINC000015618780	568955712	/nfs/dbraw/zinc/95/57/12/568955712.db2.gz	CQFBPBNCWAKMJL-UHFFFAOYSA-N	0	0	401.375	2.133	50	5		HEBARN
CC(=O)N1CCc2c(sc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1	ZINC000004280392	568958900	/nfs/dbraw/zinc/95/89/00/568958900.db2.gz	HCCMWVKQNBTSHM-QPJJXVBHSA-N	0	0	414.443	2.312	50	5		HEBARN
O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1	ZINC000004318660	568962878	/nfs/dbraw/zinc/96/28/78/568962878.db2.gz	DGFMRDXOIQTZRB-AWEZNQCLSA-N	0	0	410.473	2.251	50	5		HEBARN
COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc2c(c1)NC(=O)CS2	ZINC000016044645	569028074	/nfs/dbraw/zinc/02/80/74/569028074.db2.gz	PTJOVZQFQNDNKR-UHFFFAOYSA-N	0	0	417.399	2.443	50	5		HEBARN
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cn1ncc2cc([N+](=O)[O-])ccc21	ZINC000026614567	569051293	/nfs/dbraw/zinc/05/12/93/569051293.db2.gz	WDMBAPVKJDHYQC-UHFFFAOYSA-N	0	0	401.448	2.215	50	5		HEBARN
Cc1cc(NC(=O)CN2CCC3(CC2)OCCO3)nc2c3ccccc3oc(=O)c12	ZINC000006472059	569058020	/nfs/dbraw/zinc/05/80/20/569058020.db2.gz	WPRRVVOQQCZBCX-UHFFFAOYSA-N	0	0	409.442	2.427	50	5		HEBARN
CC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)cc1	ZINC000089331167	569058326	/nfs/dbraw/zinc/05/83/26/569058326.db2.gz	IECCEOTXNPADFY-UHFFFAOYSA-N	0	0	407.423	2.447	50	5		HEBARN
O=C(COC(=O)CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(F)c([N+](=O)[O-])c1	ZINC000006508683	569061905	/nfs/dbraw/zinc/06/19/05/569061905.db2.gz	GKJHNAVYVOSHLY-UHFFFAOYSA-N	0	0	414.349	2.085	50	5		HEBARN
O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)C[C@@H]12)N1CCOCC1	ZINC000035870959	569064026	/nfs/dbraw/zinc/06/40/26/569064026.db2.gz	KOHGYYPVKTZBDC-UNMCSNQZSA-N	0	0	422.485	2.321	50	5		HEBARN
CS(=O)(=O)N1CCC(C(=O)Nc2nc(-c3cc([N+](=O)[O-])cs3)cs2)CC1	ZINC000013704824	569257290	/nfs/dbraw/zinc/25/72/90/569257290.db2.gz	HHXKRKCURJWQOJ-UHFFFAOYSA-N	0	0	416.506	2.390	50	5		HEBARN
Cc1cc(C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)ccc1[N+](=O)[O-]	ZINC000016964290	569268831	/nfs/dbraw/zinc/26/88/31/569268831.db2.gz	YNFWZJLPUSVIIX-LJQANCHMSA-N	0	0	411.414	2.170	50	5		HEBARN
CCOC(=O)[C@@]1(C)CCCN1C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1	ZINC000089978165	569270604	/nfs/dbraw/zinc/27/06/04/569270604.db2.gz	IXKCBBWZDMMNEF-GOSISDBHSA-N	0	0	419.463	2.432	50	5		HEBARN
COc1cccc(N2C(=O)N(c3ccc([N+](=O)[O-])cc3)[C@@H]3CS(=O)(=O)C[C@H]32)c1	ZINC000007718530	569302119	/nfs/dbraw/zinc/30/21/19/569302119.db2.gz	GNJYLGZWPQCFLP-IAGOWNOFSA-N	0	0	403.416	2.216	50	5		HEBARN
Cc1ccc(NCCCNC(=O)[C@H]2COCCN2CC(F)(F)F)c([N+](=O)[O-])c1	ZINC000253404164	569365815	/nfs/dbraw/zinc/36/58/15/569365815.db2.gz	GJLMFXYMVZJRRJ-OAHLLOKOSA-N	0	0	404.389	2.085	50	5		HEBARN
COc1cccc(NC(=O)CN(C)C(=O)COc2cc([N+](=O)[O-])ccc2OC)c1	ZINC000027739328	569392366	/nfs/dbraw/zinc/39/23/66/569392366.db2.gz	WGKKXPYDJQXNOF-UHFFFAOYSA-N	0	0	403.391	2.088	50	5		HEBARN
COCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000009355770	569392437	/nfs/dbraw/zinc/39/24/37/569392437.db2.gz	SZGUILVLLSIZKW-UHFFFAOYSA-N	0	0	407.448	2.470	50	5		HEBARN
NC(=O)Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1cccs1	ZINC000012788282	569403398	/nfs/dbraw/zinc/40/33/98/569403398.db2.gz	TUUNVIULLGMSIR-UHFFFAOYSA-N	0	0	418.460	2.131	50	5		HEBARN
Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)N1CCN(Cc2ccccc2)CC1	ZINC000019288279	569414596	/nfs/dbraw/zinc/41/45/96/569414596.db2.gz	PJAYHDDCKVBTSA-UHFFFAOYSA-N	0	0	422.283	2.207	50	5		HEBARN
Cc1c(C(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000078821875	569420707	/nfs/dbraw/zinc/42/07/07/569420707.db2.gz	SZQBQSTZVREVHO-XIKOKIGWSA-N	0	0	419.459	2.153	50	5		HEBARN
COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)c([N+](=O)[O-])c1	ZINC000040059588	571146662	/nfs/dbraw/zinc/14/66/62/571146662.db2.gz	WRSLCGVPACAJHI-UHFFFAOYSA-N	0	0	419.459	2.316	50	5		HEBARN
O=C(COc1ccccc1[N+](=O)[O-])N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1	ZINC000008916197	571151699	/nfs/dbraw/zinc/15/16/99/571151699.db2.gz	CWKNEECPHOGKAI-OAHLLOKOSA-N	0	0	422.434	2.329	50	5		HEBARN
CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1CC1[N+](=O)[O-]	ZINC000040114821	571172484	/nfs/dbraw/zinc/17/24/84/571172484.db2.gz	BESCTAVNROOUCL-MAUKXSAKSA-N	0	0	424.523	2.311	50	5		HEBARN
COC(=O)c1cn([C@H]2CCCC[C@@H]2NC(=O)CCNc2ccccc2[N+](=O)[O-])nn1	ZINC000040152497	571200013	/nfs/dbraw/zinc/20/00/13/571200013.db2.gz	FFRUZYFDYVYAKP-HOCLYGCPSA-N	0	0	416.438	2.075	50	5		HEBARN
CCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@H](C)O[C@@H](C)[C@@H]32)C1=O	ZINC000245329045	571224738	/nfs/dbraw/zinc/22/47/38/571224738.db2.gz	XFCKPAHRJYWKFD-NABQRDIGSA-N	0	0	416.434	2.448	50	5		HEBARN
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1[N+](=O)[O-]	ZINC000009126594	571226640	/nfs/dbraw/zinc/22/66/40/571226640.db2.gz	VBFIDDVFJYXRET-UHFFFAOYSA-N	0	0	406.420	2.260	50	5		HEBARN
O=C(CSc1n[nH]c(=O)n1Cc1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1	ZINC000009127568	571226869	/nfs/dbraw/zinc/22/68/69/571226869.db2.gz	MRLIGOCVLKIRQX-UHFFFAOYSA-N	0	0	403.395	2.398	50	5		HEBARN
Cc1csc(Sc2ccc(C(=O)OCC(=O)N3CCNC3=O)cc2[N+](=O)[O-])n1	ZINC000009691834	571280488	/nfs/dbraw/zinc/28/04/88/571280488.db2.gz	AHWTZIXIKIWGPV-UHFFFAOYSA-N	0	0	422.444	2.220	50	5		HEBARN
Cc1ccc(-n2ncc3c2ncn(NC(=O)c2ccc([N+](=O)[O-])cc2)c3=O)cc1C	ZINC000010252066	571298278	/nfs/dbraw/zinc/29/82/78/571298278.db2.gz	NOQCVMDRCSTEKJ-UHFFFAOYSA-N	0	0	404.386	2.491	50	5		HEBARN
Cc1ccc(-n2ncc3c2ncn(NC(=O)c2cccc([N+](=O)[O-])c2)c3=O)cc1C	ZINC000010252063	571298343	/nfs/dbraw/zinc/29/83/43/571298343.db2.gz	LZVODXOXBZBQSK-UHFFFAOYSA-N	0	0	404.386	2.491	50	5		HEBARN
CCOC(=O)Cc1csc(NC(=O)c2ccc(N3CCOCC3)cc2[N+](=O)[O-])n1	ZINC000003210649	132263356	/nfs/dbraw/zinc/26/33/56/132263356.db2.gz	KQFVPTBLCWKNLT-UHFFFAOYSA-N	0	0	420.447	2.246	50	5		HEBARN
CNc1cc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)ccc1[N+](=O)[O-]	ZINC000004125099	132271873	/nfs/dbraw/zinc/27/18/73/132271873.db2.gz	JMVNDXPQOABEKJ-UHFFFAOYSA-N	0	0	421.435	2.056	50	5		HEBARN
CCN1C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)N(CC)C1=S	ZINC000005896696	132308437	/nfs/dbraw/zinc/30/84/37/132308437.db2.gz	OFBQRZJYRBWGHY-MRXNPFEDSA-N	0	0	416.503	2.492	50	5		HEBARN
CC(=O)c1ccc(N2CCN(CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)cc1	ZINC000016347277	132463819	/nfs/dbraw/zinc/46/38/19/132463819.db2.gz	WOVRCVMGPGHITL-UHFFFAOYSA-N	0	0	408.414	2.173	50	5		HEBARN
CC(=O)N1CCC(Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2[N+](=O)[O-])CC1	ZINC000032743532	519518601	/nfs/dbraw/zinc/51/86/01/519518601.db2.gz	LWJXCAOXZRLNTR-AWEZNQCLSA-N	0	0	424.523	2.438	50	5		HEBARN
C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccccc2)CC1	ZINC000032440595	524493482	/nfs/dbraw/zinc/49/34/82/524493482.db2.gz	ZNQAJRVGOQCYOJ-MRXNPFEDSA-N	0	0	404.492	2.084	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1N1C(=S)N(c2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21	ZINC000012421645	525465702	/nfs/dbraw/zinc/46/57/02/525465702.db2.gz	UQOVSKOAXRVIDU-JKSUJKDBSA-N	0	0	419.484	2.381	50	5		HEBARN
Cc1cc(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c(C)n1Cc1ccccc1	ZINC000042650202	526216867	/nfs/dbraw/zinc/21/68/67/526216867.db2.gz	HWVPNDZVZMZEKM-UHFFFAOYSA-N	0	0	408.414	2.205	50	5		HEBARN
O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc(N2CCOCC2)cc1	ZINC000000850449	526481587	/nfs/dbraw/zinc/48/15/87/526481587.db2.gz	BELYQRFNAMWGSS-UHFFFAOYSA-N	0	0	424.413	2.056	50	5		HEBARN
O=[N+]([O-])c1cccc(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1	ZINC000019889705	527386805	/nfs/dbraw/zinc/38/68/05/527386805.db2.gz	SXBLRJLIIPNYBY-UHFFFAOYSA-N	0	0	406.420	2.010	50	5		HEBARN
CCOC(=O)[C@@H]1CCCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])C1	ZINC000005688593	535525464	/nfs/dbraw/zinc/52/54/64/535525464.db2.gz	BVEQABXNXXBSPJ-CQSZACIVSA-N	0	0	413.496	2.405	50	5		HEBARN
CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1	ZINC000010210377	535792541	/nfs/dbraw/zinc/79/25/41/535792541.db2.gz	CVDQDLYUUOJAHP-STQMWFEESA-N	0	0	406.439	2.222	50	5		HEBARN
COc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000004569433	558737589	/nfs/dbraw/zinc/73/75/89/558737589.db2.gz	OHLKQEUEJQZRSX-INIZCTEOSA-N	0	0	419.459	2.187	50	5		HEBARN
CCOC(=O)N1CCN(C(=O)c2cccn3c(=O)c4ccc(Cl)cc4nc23)CC1	ZINC000004659322	558872407	/nfs/dbraw/zinc/87/24/07/558872407.db2.gz	GKKNZXCVVDRABH-UHFFFAOYSA-N	0	0	414.849	2.415	50	5		HEBARN
C[C@H](OC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])C(=O)NC1CCCCC1	ZINC000021688425	558890625	/nfs/dbraw/zinc/89/06/25/558890625.db2.gz	BCCNGHODSDXLGJ-NSHDSACASA-N	0	0	409.464	2.166	50	5		HEBARN
Cc1nn2c(SCC(=O)NCCc3ccccc3)nc3ccccc3c2nc1=O	ZINC000058046974	558896630	/nfs/dbraw/zinc/89/66/30/558896630.db2.gz	BRDMUDFPOAPZOT-UHFFFAOYSA-N	0	0	405.483	2.397	50	5		HEBARN
O=[N+]([O-])c1ccc2c(cnn2CN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1	ZINC000022310080	558987370	/nfs/dbraw/zinc/98/73/70/558987370.db2.gz	HCOZAUGARGIWTC-UHFFFAOYSA-N	0	0	419.438	2.048	50	5		HEBARN
Cc1c(NC(=O)CSc2nnc(N3CCOCC3)n2C2CC2)cccc1[N+](=O)[O-]	ZINC000011367597	559061804	/nfs/dbraw/zinc/06/18/04/559061804.db2.gz	RUVYMRWEHWPXMN-UHFFFAOYSA-N	0	0	418.479	2.397	50	5		HEBARN
COCCCn1c(=N)c(C(=O)NC2CCCC2)cc2c1nc1c(C)cccn1c2=O	ZINC000100628030	559137098	/nfs/dbraw/zinc/13/70/98/559137098.db2.gz	HBKZNSMIRXWMIZ-UHFFFAOYSA-N	0	0	409.490	2.146	50	5		HEBARN
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000024068290	559189532	/nfs/dbraw/zinc/18/95/32/559189532.db2.gz	DBVQSCJPQBIGNC-MRXNPFEDSA-N	0	0	420.491	2.348	50	5		HEBARN
CCN1C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[C@H](C)C[C@@H]32)C(=O)N(C)C1=S	ZINC000248004789	559259099	/nfs/dbraw/zinc/25/90/99/559259099.db2.gz	BOBBKTLZLUOETE-KRYHZZBUSA-N	0	0	416.503	2.348	50	5		HEBARN
CCn1c(=N)c(C(=O)NCCc2ccc(OC)cc2)cc2c1nc1ccccn1c2=O	ZINC000100754820	559263507	/nfs/dbraw/zinc/26/35/07/559263507.db2.gz	JVARBOHZBZCILE-UHFFFAOYSA-N	0	0	417.469	2.130	50	5	biogenic	HEBARN
COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2N2CCCN12	ZINC000100938427	560763381	/nfs/dbraw/zinc/76/33/81/560763381.db2.gz	RGTVNUYCFJBVFN-QRVBRYPASA-N	0	0	408.414	2.139	50	5		HEBARN
COc1cccc(C2=NO[C@@H]3C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(O)=C23)c1OC	ZINC000101276641	560790338	/nfs/dbraw/zinc/79/03/38/560790338.db2.gz	HFKWXGCJPXGDAT-QAPCUYQASA-N	0	0	411.370	2.213	50	5		HEBARN
COc1cccc(C2=NO[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(O)=C23)c1OC	ZINC000102890622	560832944	/nfs/dbraw/zinc/83/29/44/560832944.db2.gz	HYJZTRGMCUCHGI-CRAIPNDOSA-N	0	0	411.370	2.213	50	5		HEBARN
COc1ccc(C2=NO[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(O)=C23)c(OC)c1	ZINC000104046693	560847869	/nfs/dbraw/zinc/84/78/69/560847869.db2.gz	CRTQVYUERQDKLA-WMZOPIPTSA-N	0	0	411.370	2.213	50	5		HEBARN
CCOc1cccc(N2C(=O)C[C@@H](N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)c1	ZINC000095528635	568635336	/nfs/dbraw/zinc/63/53/36/568635336.db2.gz	JDIFBWIOEDFCGI-HXUWFJFHSA-N	0	0	424.457	2.448	50	5		HEBARN
O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Nc1cccc(Cn2ccnc2)c1	ZINC000025174216	568758465	/nfs/dbraw/zinc/75/84/65/568758465.db2.gz	CUUISGCCVKMFFT-UHFFFAOYSA-N	0	0	407.386	2.204	50	5		HEBARN
O=C(NCCNc1ccccc1[N+](=O)[O-])NC[C@@H](c1cccs1)N1CCOCC1	ZINC000022405948	568767288	/nfs/dbraw/zinc/76/72/88/568767288.db2.gz	QTEPMQAWHRYEKU-KRWDZBQOSA-N	0	0	419.507	2.441	50	5		HEBARN
COc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1OC	ZINC000001120219	568771105	/nfs/dbraw/zinc/77/11/05/568771105.db2.gz	FLYHQZCSCPHIJO-UHFFFAOYSA-N	0	0	423.447	2.325	50	5		HEBARN
COc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(OC)c1	ZINC000001137621	568773495	/nfs/dbraw/zinc/77/34/95/568773495.db2.gz	ODCFVOTVGXRGFI-UHFFFAOYSA-N	0	0	409.420	2.017	50	5		HEBARN
CS(=O)(=O)c1ccc(C(=O)OCc2nnc(-c3ccccc3)o2)cc1[N+](=O)[O-]	ZINC000002618298	568786308	/nfs/dbraw/zinc/78/63/08/568786308.db2.gz	FQHLMXHNMDYRBH-UHFFFAOYSA-N	0	0	403.372	2.405	50	5		HEBARN
C[C@@H]1CN(C(=S)S[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)C[C@@H](C)O1	ZINC000215693275	568790958	/nfs/dbraw/zinc/79/09/58/568790958.db2.gz	PAXVYQBQXSRDCW-JTNHKYCSSA-N	0	0	409.489	2.354	50	5		HEBARN
CC(=O)c1ccc(N2CCN([C@@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)CC2)cc1	ZINC000215726030	568795179	/nfs/dbraw/zinc/79/51/79/568795179.db2.gz	ACFIBFOPILJDOA-HXUWFJFHSA-N	0	0	422.441	2.252	50	5		HEBARN
CCCN1C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C(=O)NC1=S	ZINC000230042035	568804432	/nfs/dbraw/zinc/80/44/32/568804432.db2.gz	AIXQXEUJEZHUCT-HNAYVOBHSA-N	0	0	402.476	2.150	50	5		HEBARN
C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(N3CCC[C@@H](CO)C3)c([N+](=O)[O-])c2)C1	ZINC000015210075	568818743	/nfs/dbraw/zinc/81/87/43/568818743.db2.gz	GXIQHGJPCNMDLY-OWCLPIDISA-N	0	0	411.524	2.470	50	5		HEBARN
CC(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])CC1	ZINC000005829175	568824638	/nfs/dbraw/zinc/82/46/38/568824638.db2.gz	XMSSOZUZDOVZMG-UHFFFAOYSA-N	0	0	404.448	2.064	50	5		HEBARN
CCOc1ccc(N2C[C@@H](C(=O)NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1	ZINC000029697136	568828481	/nfs/dbraw/zinc/82/84/81/568828481.db2.gz	LHRDXDHNPKJQBA-HNAYVOBHSA-N	0	0	413.430	2.196	50	5		HEBARN
CC(C)CCC[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-]	ZINC000029939685	568853275	/nfs/dbraw/zinc/85/32/75/568853275.db2.gz	KQHCJKRQGGUXER-ZDUSSCGKSA-N	0	0	421.541	2.338	50	5		HEBARN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(Cc2nc(C(C)(C)C)no2)CC1	ZINC000030571525	568871873	/nfs/dbraw/zinc/87/18/73/568871873.db2.gz	XSIVQVLMNREFLH-UHFFFAOYSA-N	0	0	423.495	2.090	50	5		HEBARN
COc1cc(CCNS(=O)(=O)c2cc(F)ccc2F)c([N+](=O)[O-])cc1OC	ZINC000015362707	568881413	/nfs/dbraw/zinc/88/14/13/568881413.db2.gz	RFWWDRMKTIJADQ-UHFFFAOYSA-N	0	0	402.375	2.411	50	5		HEBARN
Cn1cnnc1-c1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1	ZINC000058146106	568891732	/nfs/dbraw/zinc/89/17/32/568891732.db2.gz	XTSLPNVJBGMZLB-UHFFFAOYSA-N	0	0	408.422	2.139	50	5		HEBARN
Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)COc1ccc2c(c1)CCC(=O)N2	ZINC000025669153	568908423	/nfs/dbraw/zinc/90/84/23/568908423.db2.gz	WEOMTQWAUQDIEV-UHFFFAOYSA-N	0	0	413.386	2.349	50	5		HEBARN
COC(=O)CCCn1c(C)cc(C(=O)COC(=O)c2cc([N+](=O)[O-])cn2C)c1C	ZINC000031314847	568922872	/nfs/dbraw/zinc/92/28/72/568922872.db2.gz	MLPWURGVLRBNSG-UHFFFAOYSA-N	0	0	405.407	2.345	50	5		HEBARN
O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1nnc2ccccn21	ZINC000031499552	568927091	/nfs/dbraw/zinc/92/70/91/568927091.db2.gz	FNOXCPGWKJZPBO-QGZVFWFLSA-N	0	0	422.445	2.451	50	5		HEBARN
COc1ccc(N2C(=O)N(c3ccc([N+](=O)[O-])cc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000004302957	568959971	/nfs/dbraw/zinc/95/99/71/568959971.db2.gz	VJNDFLGKHMYKJZ-IAGOWNOFSA-N	0	0	403.416	2.216	50	5		HEBARN
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1	ZINC000012816200	568989770	/nfs/dbraw/zinc/98/97/70/568989770.db2.gz	ZUGVKSDEEINASB-CQSZACIVSA-N	0	0	423.422	2.444	50	5		HEBARN
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCNC1=NS(=O)(=O)c2ccccc21	ZINC000012903904	569020982	/nfs/dbraw/zinc/02/09/82/569020982.db2.gz	MHGNXQKBOUVMBM-ZDUSSCGKSA-N	0	0	416.459	2.243	50	5		HEBARN
Cc1ccc(N2C[C@H](C(=O)OCc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2=O)cc1F	ZINC000026474648	569032045	/nfs/dbraw/zinc/03/20/45/569032045.db2.gz	FGTANPVZCLILJK-CQSZACIVSA-N	0	0	415.377	2.238	50	5		HEBARN
COCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)C[C@H]12	ZINC000035870301	569063984	/nfs/dbraw/zinc/06/39/84/569063984.db2.gz	VEQBEBYBCABKEO-TZIWHRDSSA-N	0	0	410.474	2.225	50	5		HEBARN
O=C1N[C@@]2(CCc3ccccc3C2)C(=O)N1Cc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000006829782	569144101	/nfs/dbraw/zinc/14/41/01/569144101.db2.gz	HDLOIHOSCMRFQP-OAQYLSRUSA-N	0	0	409.398	2.441	50	5		HEBARN
COC(=O)C[C@]1(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCCOC1	ZINC000170598010	569242226	/nfs/dbraw/zinc/24/22/26/569242226.db2.gz	ANWSPFARMSHMMM-MRXNPFEDSA-N	0	0	415.240	2.128	50	5		HEBARN
C[C@@H](Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1	ZINC000170603339	569243942	/nfs/dbraw/zinc/24/39/42/569243942.db2.gz	MJHLPMTUHQPWJV-SNVBAGLBSA-N	0	0	410.418	2.317	50	5		HEBARN
C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=S)N(C4CC4)C3=O)[C@@H]2C1	ZINC000017057399	569272538	/nfs/dbraw/zinc/27/25/38/569272538.db2.gz	FOKAVCWXEQFMQC-MGZSFGTLSA-N	0	0	414.487	2.148	50	5		HEBARN
COc1cccc(N2C(=O)C[C@H](N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)c1	ZINC000017730150	569364539	/nfs/dbraw/zinc/36/45/39/569364539.db2.gz	OIGOFFWCLDWCNA-IBGZPJMESA-N	0	0	410.430	2.058	50	5		HEBARN
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H]3C=CC=NN3[C@H](C(=O)C(C)(C)C)[C@H]2C1=O	ZINC000253487600	569381596	/nfs/dbraw/zinc/38/15/96/569381596.db2.gz	MLVLTNRIXBWLPR-QAETUUGQSA-N	0	0	410.430	2.232	50	5		HEBARN
COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2ccc([N+](=O)[O-])cn2)c1	ZINC000013081287	569408809	/nfs/dbraw/zinc/40/88/09/569408809.db2.gz	ZBYAFKTZMOCSJZ-UHFFFAOYSA-N	0	0	405.388	2.294	50	5		HEBARN
CCOc1ccc(N2C(=O)C[C@H](N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)cc1	ZINC000019313448	569415732	/nfs/dbraw/zinc/41/57/32/569415732.db2.gz	WGDVSPVOMOHVNG-FQEVSTJZSA-N	0	0	424.457	2.448	50	5		HEBARN
COC(=O)[C@H](C)[C@@H](NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccccc1	ZINC000079012878	569423704	/nfs/dbraw/zinc/42/37/04/569423704.db2.gz	GYSGNHFVCYBQSW-SJKOYZFVSA-N	0	0	408.432	2.432	50	5		HEBARN
O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCC(C(=O)N2CCCCC2)CC1	ZINC000008767070	571115704	/nfs/dbraw/zinc/11/57/04/571115704.db2.gz	LXJFVEYXCPTEIE-UHFFFAOYSA-N	0	0	412.450	2.040	50	5		HEBARN
Cc1cccc(CN2CCN(C(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)CC2)c1	ZINC000039969261	571135123	/nfs/dbraw/zinc/13/51/23/571135123.db2.gz	MYFHNPNXAZEDER-UHFFFAOYSA-N	0	0	410.430	2.156	50	5		HEBARN
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1csc([N+](=O)[O-])c1	ZINC000040134530	571187801	/nfs/dbraw/zinc/18/78/01/571187801.db2.gz	ZUBWIDBPMLXNNG-UHFFFAOYSA-N	0	0	411.461	2.238	50	5		HEBARN
Cc1c(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)sc2[nH]c(C)nc(=O)c12	ZINC000009245476	571241446	/nfs/dbraw/zinc/24/14/46/571241446.db2.gz	GAXHUFBYPNTHMO-UHFFFAOYSA-N	0	0	402.388	2.305	50	5		HEBARN
O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@H](c2nnc3n2CCC3)C1	ZINC000069810377	571245369	/nfs/dbraw/zinc/24/53/69/571245369.db2.gz	DKMKRRQCEOWKLL-HNNXBMFYSA-N	0	0	407.434	2.338	50	5		HEBARN
COC[C@H](C)NS(=O)(=O)c1ccc(Sc2nnc3ccccn32)c([N+](=O)[O-])c1	ZINC000009646081	571276477	/nfs/dbraw/zinc/27/64/77/571276477.db2.gz	OJARFZKFSULTTC-NSHDSACASA-N	0	0	423.476	2.102	50	5		HEBARN
Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1	ZINC000009671859	571278627	/nfs/dbraw/zinc/27/86/27/571278627.db2.gz	CRGQBRPWQPDATB-UHFFFAOYSA-N	0	0	424.406	2.388	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1	ZINC000010187038	571296043	/nfs/dbraw/zinc/29/60/43/571296043.db2.gz	HFFCGIOYWDWNNK-ZDUSSCGKSA-N	0	0	411.461	2.457	50	5		HEBARN
COc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)c([N+](=O)[O-])c1	ZINC000010187040	571296054	/nfs/dbraw/zinc/29/60/54/571296054.db2.gz	NQTPRWMQJSUERK-ZDUSSCGKSA-N	0	0	411.461	2.457	50	5		HEBARN
Cc1c(Nc2cc(C)nc(-n3cc([N+](=O)[O-])cn3)n2)c(=O)n(-c2ccccc2)n1C	ZINC000010215039	571297025	/nfs/dbraw/zinc/29/70/25/571297025.db2.gz	WGFOWISICNXYEU-UHFFFAOYSA-N	0	0	406.406	2.420	50	5		HEBARN
O=[N+]([O-])c1c2nonc2c(N2CCN(c3ccc(F)cc3)CC2)cc1NCCCO	ZINC000004193982	132273133	/nfs/dbraw/zinc/27/31/33/132273133.db2.gz	UJYWLLXZHJNHRD-UHFFFAOYSA-N	0	0	416.413	2.391	50	5		HEBARN
C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1	ZINC000004889875	132291796	/nfs/dbraw/zinc/29/17/96/132291796.db2.gz	RIGPKMPHSDKHRD-HUUCEWRRSA-N	0	0	405.451	2.093	50	5		HEBARN
CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCC(=O)N[C@@H](C)C1CC1	ZINC000042171760	521600899	/nfs/dbraw/zinc/60/08/99/521600899.db2.gz	XYHPIZBRYKCIPT-LBPRGKRZSA-N	0	0	402.407	2.251	50	5		HEBARN
CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000032966910	523149042	/nfs/dbraw/zinc/14/90/42/523149042.db2.gz	VSRLPMRTBAGVKO-INIZCTEOSA-N	0	0	413.430	2.343	50	5		HEBARN
COc1ccc(OC)c(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1	ZINC000019853594	524826416	/nfs/dbraw/zinc/82/64/16/524826416.db2.gz	ZQTHBHVBMLOMHK-UHFFFAOYSA-N	0	0	421.475	2.119	50	5		HEBARN
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(NC(=O)c2cnn(C)c2)CC1	ZINC000044811674	525990308	/nfs/dbraw/zinc/99/03/08/525990308.db2.gz	HVCLOMDLUWRTNC-ZDUSSCGKSA-N	0	0	417.491	2.230	50	5		HEBARN
O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000020493954	526716884	/nfs/dbraw/zinc/71/68/84/526716884.db2.gz	LWECOMPEUORYTM-UHFFFAOYSA-N	0	0	414.374	2.190	50	5		HEBARN
CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000010707507	558423393	/nfs/dbraw/zinc/42/33/93/558423393.db2.gz	KFSVITKOHLJRCT-UHFFFAOYSA-N	0	0	405.476	2.282	50	5		HEBARN
CN1CCN(S(=O)(=O)c2ccc(Nc3ccc4c(c3)OCO4)c([N+](=O)[O-])c2)CC1	ZINC000034876865	558786352	/nfs/dbraw/zinc/78/63/52/558786352.db2.gz	RYVNTHIOQDKFSB-UHFFFAOYSA-N	0	0	420.447	2.003	50	5		HEBARN
CC(C)OCCCNC(=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)n1ccccc1=O	ZINC000004599947	558835438	/nfs/dbraw/zinc/83/54/38/558835438.db2.gz	NYLKZFMRACMIJR-SFHVURJKSA-N	0	0	401.419	2.112	50	5		HEBARN
O=C(CCS(=O)(=O)Cc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000004740547	559045258	/nfs/dbraw/zinc/04/52/58/559045258.db2.gz	VNTFOIJZJKFZIM-UHFFFAOYSA-N	0	0	417.487	2.249	50	5		HEBARN
Cc1cccn2c1nc1c(cc(C(=O)NC3CCCC3)c(=N)n1C[C@H]1CCCO1)c2=O	ZINC000100627420	559137120	/nfs/dbraw/zinc/13/71/20/559137120.db2.gz	GEUSROTXRJRQRV-MRXNPFEDSA-N	0	0	421.501	2.288	50	5		HEBARN
C[C@@H](NC(=O)COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1	ZINC000004839510	559167158	/nfs/dbraw/zinc/16/71/58/559167158.db2.gz	LGSSUIJBORFODF-OAHLLOKOSA-N	0	0	413.430	2.466	50	5		HEBARN
CCCCN(C(=O)c1ccc([N+](=O)[O-])s1)c1c(N)n(CCCC)c(=O)[nH]c1=O	ZINC000014624226	559171251	/nfs/dbraw/zinc/17/12/51/559171251.db2.gz	OHSSBNOOSGUYIS-UHFFFAOYSA-N	0	0	409.468	2.336	50	5		HEBARN
COc1ccc(-c2nnc3s/c(=C/c4cccc([N+](=O)[O-])c4)c(=O)n32)cc1OC	ZINC000005025615	559230215	/nfs/dbraw/zinc/23/02/15/559230215.db2.gz	HUXGEWJSDFCFBS-CXUHLZMHSA-N	0	0	410.411	2.291	50	5		HEBARN
Cc1ccc2nc3c(cc(C(=O)NC[C@@H]4CCCO4)c(=N)n3C3CCCC3)c(=O)n2c1	ZINC000100627867	559245483	/nfs/dbraw/zinc/24/54/83/559245483.db2.gz	XBJXNBYASPPRTL-INIZCTEOSA-N	0	0	421.501	2.461	50	5		HEBARN
COC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(CCc2ccc(OC)cc2)c1=N	ZINC000100751911	559263423	/nfs/dbraw/zinc/26/34/23/559263423.db2.gz	KSXXSHRMPPXMQE-UHFFFAOYSA-N	0	0	418.453	2.475	50	5	biogenic	HEBARN
C[C@@H]1CC(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2S1(=O)=O	ZINC000017244156	560705315	/nfs/dbraw/zinc/70/53/15/560705315.db2.gz	CWMSCQCNKHXPMB-GFCCVEGCSA-N	0	0	403.416	2.132	50	5		HEBARN
Cc1cccn2c1nc1c(cc(S(=O)(=O)c3ccc(Cl)cc3)c(=N)n1C)c2=O	ZINC000100939914	560763417	/nfs/dbraw/zinc/76/34/17/560763417.db2.gz	SYCGBPZCFXBNMV-UHFFFAOYSA-N	0	0	414.874	2.460	50	5		HEBARN
Cc1cccn2c1nc1c(cc(C(=O)NC(C)C)c(=N)n1CCCOC(C)C)c2=O	ZINC000101116401	560786891	/nfs/dbraw/zinc/78/68/91/560786891.db2.gz	UIWFMTYECJWIDI-UHFFFAOYSA-N	0	0	411.506	2.390	50	5		HEBARN
O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000102199312	560808577	/nfs/dbraw/zinc/80/85/77/560808577.db2.gz	FBMKALUASCQAJZ-UHFFFAOYSA-N	0	0	401.335	2.374	50	5		HEBARN
O=C(COC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)NC[C@@H]1CCCO1	ZINC000005710916	560828953	/nfs/dbraw/zinc/82/89/53/560828953.db2.gz	MDSQSDUMVFCVLG-INIZCTEOSA-N	0	0	405.451	2.427	50	5		HEBARN
COc1ccc(OC)c(C2=NO[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(O)=C23)c1	ZINC000102885071	560834124	/nfs/dbraw/zinc/83/41/24/560834124.db2.gz	WZUUZSSWXMLOCE-FUHWJXTLSA-N	0	0	411.370	2.213	50	5		HEBARN
O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)C[C@H]12)N1CCOCC1	ZINC000104917025	560856589	/nfs/dbraw/zinc/85/65/89/560856589.db2.gz	KOHGYYPVKTZBDC-RBBKRZOGSA-N	0	0	422.485	2.321	50	5		HEBARN
Nc1nc(N2CCN(Cc3ccccc3)CC2)nc(NCc2ccco2)c1[N+](=O)[O-]	ZINC000020229863	568595151	/nfs/dbraw/zinc/59/51/51/568595151.db2.gz	OOTGNSZYZSBPBO-UHFFFAOYSA-N	0	0	409.450	2.494	50	5		HEBARN
Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1	ZINC000095459225	568619465	/nfs/dbraw/zinc/61/94/65/568619465.db2.gz	HUAYCQMYIUOODI-GOSISDBHSA-N	0	0	410.434	2.345	50	5		HEBARN
CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](NS(C)(=O)=O)C1	ZINC000095461111	568620409	/nfs/dbraw/zinc/62/04/09/568620409.db2.gz	RHCUJCXROSPYTK-LBPRGKRZSA-N	0	0	401.510	2.249	50	5		HEBARN
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(c2nncn2C(C)C)CC1	ZINC000095461599	568620845	/nfs/dbraw/zinc/62/08/45/568620845.db2.gz	YXGRICIWYNDORT-UHFFFAOYSA-N	0	0	409.468	2.344	50	5		HEBARN
O=C(c1cc([N+](=O)[O-])ccc1N1CCN(CCO)CC1)N1CCCc2ccccc21	ZINC000020638757	568638554	/nfs/dbraw/zinc/63/85/54/568638554.db2.gz	KWUMKTBLYJTVCO-UHFFFAOYSA-N	0	0	410.474	2.302	50	5		HEBARN
COc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2ccccc2[N+](=O)[O-])C(=O)N3)cc1	ZINC000020720914	568640320	/nfs/dbraw/zinc/64/03/20/568640320.db2.gz	UUDWAEJAXOJMDO-OAHLLOKOSA-N	0	0	408.374	2.384	50	5		HEBARN
COc1ccc(-c2nc3n(n2)[C@@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)N3)cc1	ZINC000020729978	568640622	/nfs/dbraw/zinc/64/06/22/568640622.db2.gz	QURBGGJOEIKVIB-HNNXBMFYSA-N	0	0	408.374	2.384	50	5		HEBARN
O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(NCCCN2CCOCC2)c([N+](=O)[O-])c1	ZINC000020739059	568641118	/nfs/dbraw/zinc/64/11/18/568641118.db2.gz	NOKMAPIEJXEQGM-IAGOWNOFSA-N	0	0	416.478	2.409	50	5		HEBARN
Cn1c2c(cn3c2[C@H](c2ccc([N+](=O)[O-])cc2)Nc2ccccc2-3)c(=O)n(C)c1=O	ZINC000020898635	568649396	/nfs/dbraw/zinc/64/93/96/568649396.db2.gz	DWOFFZPVBXSKJX-KRWDZBQOSA-N	0	0	403.398	2.451	50	5		HEBARN
O=C(Nc1ccc(S(=O)(=O)CCO)cc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1	ZINC000096012033	568684584	/nfs/dbraw/zinc/68/45/84/568684584.db2.gz	UTYRSSVBWMCVBP-UHFFFAOYSA-N	0	0	405.432	2.187	50	5		HEBARN
CCOC(=O)c1cccc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1	ZINC000000850470	568711253	/nfs/dbraw/zinc/71/12/53/568711253.db2.gz	IMRPIMATGBYCOQ-UHFFFAOYSA-N	0	0	411.370	2.396	50	5		HEBARN
CC(C)NC(=O)Cn1c2cc(Cl)ccc2c(=O)n(-c2ccc([N+](=O)[O-])cc2)c1=O	ZINC000096291888	568720947	/nfs/dbraw/zinc/72/09/47/568720947.db2.gz	CXZORFRMXPVXKN-UHFFFAOYSA-N	0	0	416.821	2.239	50	5		HEBARN
O=C(COC(=O)c1cc(F)cc(F)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000025022060	568725529	/nfs/dbraw/zinc/72/55/29/568725529.db2.gz	AVMFWBIOWNRHSN-UHFFFAOYSA-N	0	0	405.357	2.379	50	5		HEBARN
CC[C@H](C)NC(=O)c1coc(CN2CCN(Cc3ccccc3[N+](=O)[O-])CC2)n1	ZINC000034678024	568726089	/nfs/dbraw/zinc/72/60/89/568726089.db2.gz	VSBCKECPIXGGRP-HNNXBMFYSA-N	0	0	401.467	2.429	50	5		HEBARN
COc1ccc(OC)c2c1CN(c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C[C@@H]2O	ZINC000021674351	568736757	/nfs/dbraw/zinc/73/67/57/568736757.db2.gz	AKXNRPTVXSFPLO-HNNXBMFYSA-N	0	0	408.432	2.069	50	5		HEBARN
CC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)c1	ZINC000015114321	568756506	/nfs/dbraw/zinc/75/65/06/568756506.db2.gz	COKKILPPYLBYJW-UHFFFAOYSA-N	0	0	421.431	2.366	50	5		HEBARN
Cc1c(CN2CCc3cc(S(=O)(=O)N4CCOCC4)ccc32)cccc1[N+](=O)[O-]	ZINC000052242568	568761459	/nfs/dbraw/zinc/76/14/59/568761459.db2.gz	HRXUVJIZDLTARI-UHFFFAOYSA-N	0	0	417.487	2.487	50	5		HEBARN
C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(=O)N[C@@H](C)c1ccccc1	ZINC000022087592	568764844	/nfs/dbraw/zinc/76/48/44/568764844.db2.gz	SXGMNXLEFRLGCJ-KBPBESRZSA-N	0	0	401.419	2.422	50	5		HEBARN
COc1cc(OC)cc(C(=O)N2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)c1	ZINC000025517271	568773872	/nfs/dbraw/zinc/77/38/72/568773872.db2.gz	PHJPNIVGRORUEO-UHFFFAOYSA-N	0	0	413.430	2.139	50	5		HEBARN
C[C@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000001151590	568774125	/nfs/dbraw/zinc/77/41/25/568774125.db2.gz	FGGKOIVZGWEJDS-SNVBAGLBSA-N	0	0	400.318	2.145	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc(NC(N)=O)cc1	ZINC000002654215	568797357	/nfs/dbraw/zinc/79/73/57/568797357.db2.gz	RRMPSZSSURGUGD-JTQLQIEISA-N	0	0	402.363	2.278	50	5		HEBARN
O=C(CCn1ccc([N+](=O)[O-])n1)NCCCn1nc(C(F)(F)F)cc1C1CC1	ZINC000002778193	568807796	/nfs/dbraw/zinc/80/77/96/568807796.db2.gz	MFBDGXXZJQBCCX-UHFFFAOYSA-N	0	0	400.361	2.481	50	5		HEBARN
Cc1nn(Cc2ccccc2-c2nc3c4cnn(C)c4ncn3n2)c(C)c1[N+](=O)[O-]	ZINC000002802445	568810989	/nfs/dbraw/zinc/81/09/89/568810989.db2.gz	DRDGCDOHBLCZIK-UHFFFAOYSA-N	0	0	403.406	2.448	50	5		HEBARN
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(CCOc2cccc(F)c2)CC1	ZINC000029694650	568828741	/nfs/dbraw/zinc/82/87/41/568828741.db2.gz	ISDOGPCEWCVQSQ-UHFFFAOYSA-N	0	0	409.439	2.119	50	5		HEBARN
COC(CN(C)[C@@H](C(=O)NC1CCCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2)OC	ZINC000034853452	568829531	/nfs/dbraw/zinc/82/95/31/568829531.db2.gz	OTBQGMMYWYULHX-LJQANCHMSA-N	0	0	423.466	2.364	50	5		HEBARN
Cc1cc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)ccc1[N+](=O)[O-]	ZINC000005938612	568830674	/nfs/dbraw/zinc/83/06/74/568830674.db2.gz	JUIHORDMLYGYEQ-UHFFFAOYSA-N	0	0	403.416	2.348	50	5		HEBARN
COc1ccc(CN2CCN(Cn3c(=O)oc4ccc([N+](=O)[O-])cc43)CC2)cc1F	ZINC000012553660	568854730	/nfs/dbraw/zinc/85/47/30/568854730.db2.gz	DGAVDPWCLNRORR-UHFFFAOYSA-N	0	0	416.409	2.426	50	5		HEBARN
O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)NCc1ccc(F)cc1	ZINC000015277956	568869311	/nfs/dbraw/zinc/86/93/11/568869311.db2.gz	YPFBYSBNMNLRIX-UHFFFAOYSA-N	0	0	417.393	2.044	50	5		HEBARN
O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)CCC2	ZINC000058023113	568878040	/nfs/dbraw/zinc/87/80/40/568878040.db2.gz	KFEALASIEMQYII-UHFFFAOYSA-N	0	0	404.448	2.184	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)CC(=O)Nc1ccc(C)cn1	ZINC000058215446	568900831	/nfs/dbraw/zinc/90/08/31/568900831.db2.gz	NUPLOAYWCMLDJR-CYBMUJFWSA-N	0	0	401.423	2.204	50	5		HEBARN
O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004166030	568919042	/nfs/dbraw/zinc/91/90/42/568919042.db2.gz	MVCCUZPPFRAFLP-UHFFFAOYSA-N	0	0	408.349	2.268	50	5		HEBARN
CCOC(=O)C(Cc1ccc([N+](=O)[O-])cc1)(Cc1ccc([N+](=O)[O-])cc1)C(N)=O	ZINC000003618293	568919906	/nfs/dbraw/zinc/91/99/06/568919906.db2.gz	RWHYUWWYFIQSOK-UHFFFAOYSA-N	0	0	401.375	2.323	50	5		HEBARN
COCCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000003636604	568921267	/nfs/dbraw/zinc/92/12/67/568921267.db2.gz	WWWVAEOOKGLDFK-IAQYHMDHSA-N	0	0	405.432	2.433	50	5		HEBARN
CCn1c(C)cc(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1C	ZINC000012754992	568942636	/nfs/dbraw/zinc/94/26/36/568942636.db2.gz	LBBWQGVJQLFNMN-UHFFFAOYSA-N	0	0	420.491	2.180	50	5		HEBARN
O=C(C1=C2C(O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2C=CC=NN12)c1ccccc1	ZINC000229633191	568952889	/nfs/dbraw/zinc/95/28/89/568952889.db2.gz	FLBVUNVQDLPVID-MANSERQUSA-N	0	0	416.393	2.192	50	5		HEBARN
CC(=O)c1ccc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000007981370	568963627	/nfs/dbraw/zinc/96/36/27/568963627.db2.gz	UZVGXUFIMNBIAU-UHFFFAOYSA-N	0	0	403.460	2.449	50	5		HEBARN
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1	ZINC000012816194	568989775	/nfs/dbraw/zinc/98/97/75/568989775.db2.gz	ZUGVKSDEEINASB-AWEZNQCLSA-N	0	0	423.422	2.444	50	5		HEBARN
Cc1cccn2c1nc1c(cc(C(=O)N3CCCCC3)c(=N)n1C[C@@H]1CCCO1)c2=O	ZINC000100627393	569009763	/nfs/dbraw/zinc/00/97/63/569009763.db2.gz	RXUKCZLZYJAIKS-INIZCTEOSA-N	0	0	421.501	2.242	50	5		HEBARN
O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)C(F)F)cc1	ZINC000012876187	569013638	/nfs/dbraw/zinc/01/36/38/569013638.db2.gz	DQZHVNWLECSXPZ-AWEZNQCLSA-N	0	0	400.359	2.055	50	5		HEBARN
Cc1ccc(S(=O)(=O)NCc2ccc(CN3CCOCC3)cc2)cc1[N+](=O)[O-]	ZINC000012937061	569027374	/nfs/dbraw/zinc/02/73/74/569027374.db2.gz	CMIJCGAPQBABFE-UHFFFAOYSA-N	0	0	405.476	2.214	50	5		HEBARN
COc1cccc(CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])c1	ZINC000035593231	569045437	/nfs/dbraw/zinc/04/54/37/569045437.db2.gz	RGMAJBWHZFLZCC-UHFFFAOYSA-N	0	0	420.491	2.152	50	5		HEBARN
C[C@]1(NC(=O)COc2ccc([N+](=O)[O-])cc2Cc2ccccc2)CCS(=O)(=O)C1	ZINC000016458997	569052051	/nfs/dbraw/zinc/05/20/51/569052051.db2.gz	OKVCCKSUCYIRBR-FQEVSTJZSA-N	0	0	418.471	2.258	50	5		HEBARN
COCCNC(=O)[C@@H]1COC2(CCC(C)CC2)N1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000036017714	569076962	/nfs/dbraw/zinc/07/69/62/569076962.db2.gz	RBHJSTFRXUVQMI-WSGJVKOYSA-N	0	0	405.451	2.105	50	5		HEBARN
CC(=O)N1N=C(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)O[C@H]1c1ccc2c(c1)OCO2	ZINC000064819824	569102256	/nfs/dbraw/zinc/10/22/56/569102256.db2.gz	MVROVIOVSRODOC-KRWDZBQOSA-N	0	0	400.303	2.471	50	5		HEBARN
Cc1cc(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1	ZINC000007423087	569237798	/nfs/dbraw/zinc/23/77/98/569237798.db2.gz	GKJRLZYJTAPEHM-JXMROGBWSA-N	0	0	406.402	2.313	50	5		HEBARN
CCN(CC)C(=O)CSc1nnc(SCc2ccc([N+](=O)[O-])c(F)c2)n1N	ZINC000170605542	569244303	/nfs/dbraw/zinc/24/43/03/569244303.db2.gz	IQMUSGJYSNMPFH-UHFFFAOYSA-N	0	0	414.488	2.292	50	5		HEBARN
O=[N+]([O-])c1cccc(NC(=S)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1	ZINC000013784452	569257613	/nfs/dbraw/zinc/25/76/13/569257613.db2.gz	AJUBBBGIIOBQQM-UHFFFAOYSA-N	0	0	406.489	2.298	50	5		HEBARN
COC(=O)[C@@H]1Sc2[nH]c(=O)sc2[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]1C(=O)OC	ZINC000016713003	569261370	/nfs/dbraw/zinc/26/13/70/569261370.db2.gz	DERPYVWALNEHPB-JFGNBEQYSA-N	0	0	410.429	2.325	50	5		HEBARN
Cc1cc(O)c(C(c2ccc([N+](=O)[O-])cc2)c2c(O)cc(C)n(C)c2=O)c(=O)n1C	ZINC000007597004	569287807	/nfs/dbraw/zinc/28/78/07/569287807.db2.gz	CZPQACAWHSVQNT-UHFFFAOYSA-N	0	0	411.414	2.200	50	5		HEBARN
CC[C@H](C)NC(=O)c1cnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)nc1OC	ZINC000037523650	569303600	/nfs/dbraw/zinc/30/36/00/569303600.db2.gz	CWGWXIQCGPUDGO-AWEZNQCLSA-N	0	0	414.466	2.248	50	5		HEBARN
O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)NC(=O)Cc1ccccc1	ZINC000007784961	569310395	/nfs/dbraw/zinc/31/03/95/569310395.db2.gz	SQXXFUNGGGDBQI-UHFFFAOYSA-N	0	0	411.414	2.237	50	5		HEBARN
CC1(C)NC(=O)N(CCCOc2cc(Br)cc([N+](=O)[O-])c2N)C1=O	ZINC000241926497	569313930	/nfs/dbraw/zinc/31/39/30/569313930.db2.gz	UGPOOMWKCHDEIS-UHFFFAOYSA-N	0	0	401.217	2.039	50	5		HEBARN
COCCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000002249254	569324539	/nfs/dbraw/zinc/32/45/39/569324539.db2.gz	MCLWAGRRMDJQST-IAQYHMDHSA-N	0	0	405.432	2.433	50	5		HEBARN
COC(=O)CCNc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1[N+](=O)[O-]	ZINC000009546246	569393611	/nfs/dbraw/zinc/39/36/11/569393611.db2.gz	URMFAAVYOMSXHZ-UHFFFAOYSA-N	0	0	409.420	2.379	50	5		HEBARN
CC(=O)Nc1ccc(NC(=O)CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1	ZINC000012379656	569400659	/nfs/dbraw/zinc/40/06/59/569400659.db2.gz	PTADJUAOFMTJSA-UHFFFAOYSA-N	0	0	406.420	2.007	50	5		HEBARN
O=C(O[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000019298443	569415275	/nfs/dbraw/zinc/41/52/75/569415275.db2.gz	BQPVNGPYPFNLFZ-GOSISDBHSA-N	0	0	414.370	2.080	50	5		HEBARN
CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000067286244	571064445	/nfs/dbraw/zinc/06/44/45/571064445.db2.gz	SRBGDPKPDFHXJP-SFHVURJKSA-N	0	0	402.451	2.498	50	5		HEBARN
COc1ccc(-c2nc(CN3CCN(C(=O)[C@@H]4C[C@@H]4[N+](=O)[O-])CC3)cs2)cc1	ZINC000040115506	571173338	/nfs/dbraw/zinc/17/33/38/571173338.db2.gz	XJQKLSQTYIJUSU-SJORKVTESA-N	0	0	402.476	2.128	50	5		HEBARN
C[C@@H]1CN(c2ccc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)cn2)C[C@@H](C)O1	ZINC000040142672	571193325	/nfs/dbraw/zinc/19/33/25/571193325.db2.gz	ZOBXMNQVTUOGOZ-ZIAGYGMSSA-N	0	0	423.433	2.436	50	5		HEBARN
O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1ccccc1[N+](=O)[O-]	ZINC000009283043	571244814	/nfs/dbraw/zinc/24/48/14/571244814.db2.gz	YYPNKCMHZAEHPZ-UHFFFAOYSA-N	0	0	406.420	2.260	50	5		HEBARN
O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000009355755	571250963	/nfs/dbraw/zinc/25/09/63/571250963.db2.gz	ZHLGUWSXFXTMOW-UHFFFAOYSA-N	0	0	421.450	2.451	50	5		HEBARN
Cc1ccccc1Nc1nc(N)nc(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n1	ZINC000009469292	571261517	/nfs/dbraw/zinc/26/15/17/571261517.db2.gz	ICEMXRMYHXWBGS-UHFFFAOYSA-N	0	0	405.374	2.210	50	5		HEBARN
Cc1c(C(=O)NCc2nnc(SCC(=O)NC3CCCC3)o2)cccc1[N+](=O)[O-]	ZINC000009518648	571265542	/nfs/dbraw/zinc/26/55/42/571265542.db2.gz	BSNZYAJXVWJEPD-UHFFFAOYSA-N	0	0	419.463	2.367	50	5		HEBARN
COC(=O)c1ccc(COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])o1	ZINC000009539898	571267350	/nfs/dbraw/zinc/26/73/50/571267350.db2.gz	AGLPUOKOZGLCID-UHFFFAOYSA-N	0	0	410.404	2.338	50	5		HEBARN
NC(=O)c1c(NC(=O)COC(=O)c2ccc([N+](=O)[O-])s2)sc2c1CCCC2	ZINC000009582485	571270989	/nfs/dbraw/zinc/27/09/89/571270989.db2.gz	HVHUAAYCTDNBFJ-UHFFFAOYSA-N	0	0	409.445	2.491	50	5		HEBARN
O=C(COc1cc(F)ccc1[N+](=O)[O-])N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1	ZINC000009592667	571271979	/nfs/dbraw/zinc/27/19/79/571271979.db2.gz	ZCCUDSSWYWDHCV-MRXNPFEDSA-N	0	0	422.434	2.329	50	5		HEBARN
O=C(CSc1nc(=O)n(CCCO)c2c1CCCC2)Nc1cccc([N+](=O)[O-])c1	ZINC000010275723	571299220	/nfs/dbraw/zinc/29/92/20/571299220.db2.gz	JZTCRJQBWZKRIS-UHFFFAOYSA-N	0	0	418.475	2.144	50	5		HEBARN
COc1cccc([C@H]2c3c(-c4ccc([N+](=O)[O-])cc4)n[nH]c(=O)c3Nc3nnnn32)c1	ZINC000010296146	571299530	/nfs/dbraw/zinc/29/95/30/571299530.db2.gz	GJPSMBAZNSUSQE-KRWDZBQOSA-N	0	0	418.373	2.447	50	5		HEBARN
COc1ccccc1[C@@H]1c2c(-c3cccc([N+](=O)[O-])c3)n[nH]c(=O)c2Nc2nnnn21	ZINC000010296481	571299600	/nfs/dbraw/zinc/29/96/00/571299600.db2.gz	LBMSIAWSMQTOGF-QGZVFWFLSA-N	0	0	418.373	2.447	50	5		HEBARN
O=C(OCc1nc2ccsc2c(=O)[nH]1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000009465188	132234066	/nfs/dbraw/zinc/23/40/66/132234066.db2.gz	MJACDKUPYMEVJA-UHFFFAOYSA-N	0	0	416.415	2.086	50	5		HEBARN
CCS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3cccnc3)c2)CC1	ZINC000004162505	132272230	/nfs/dbraw/zinc/27/22/30/132272230.db2.gz	FZQUZQSRWWLKFF-UHFFFAOYSA-N	0	0	405.480	2.074	50	5		HEBARN
CCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C1=O	ZINC000004594382	132279696	/nfs/dbraw/zinc/27/96/96/132279696.db2.gz	WHOQXNBDZSLJMB-OXQOHEQNSA-N	0	0	400.435	2.375	50	5		HEBARN
CC1CCN(c2ccc(C(=O)OCC(=O)NC[C@@H]3CCCO3)cc2[N+](=O)[O-])CC1	ZINC000004868076	132291110	/nfs/dbraw/zinc/29/11/10/132291110.db2.gz	PNTXYUPWKHTKBS-INIZCTEOSA-N	0	0	405.451	2.283	50	5		HEBARN
NS(=O)(=O)c1ccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1	ZINC000005028008	132298953	/nfs/dbraw/zinc/29/89/53/132298953.db2.gz	PFRGMECZHBLANE-UHFFFAOYSA-N	0	0	404.448	2.485	50	5		HEBARN
NC(=O)C1CCN(c2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])CC1	ZINC000005829284	132308197	/nfs/dbraw/zinc/30/81/97/132308197.db2.gz	HPWDVPUOVNRMBQ-UHFFFAOYSA-N	0	0	404.448	2.097	50	5		HEBARN
CC(C)N1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C1=O	ZINC000009016116	132335036	/nfs/dbraw/zinc/33/50/36/132335036.db2.gz	XTCLYUDAUYPXRY-UZLBHIALSA-N	0	0	400.435	2.373	50	5		HEBARN
COc1ccc(CNC(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)cc1	ZINC000012545779	132362861	/nfs/dbraw/zinc/36/28/61/132362861.db2.gz	UFNPMSAPXRNOND-UHFFFAOYSA-N	0	0	412.446	2.202	50	5		HEBARN
CC(C)OC(=O)C[C@H](NC(=O)c1cnc2ccccn2c1=O)c1ccccc1[N+](=O)[O-]	ZINC000032900184	519748659	/nfs/dbraw/zinc/74/86/59/519748659.db2.gz	PWVRLBPPERYUBS-INIZCTEOSA-N	0	0	424.413	2.416	50	5		HEBARN
COc1ccc(C(=O)N2CCC(C(=O)NCCc3ccccn3)CC2)cc1[N+](=O)[O-]	ZINC000032912019	523620788	/nfs/dbraw/zinc/62/07/88/523620788.db2.gz	HHBJLCSUQBEFRL-UHFFFAOYSA-N	0	0	412.446	2.210	50	5		HEBARN
Cc1sc2nc(CN3CCN(c4ncccc4[N+](=O)[O-])CC3)[nH]c(=O)c2c1C	ZINC000032679058	526886456	/nfs/dbraw/zinc/88/64/56/526886456.db2.gz	MWUVJSFGAGLZHJ-UHFFFAOYSA-N	0	0	400.464	2.227	50	5		HEBARN
Cn1c(CNC(=O)c2ccco2)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1	ZINC000032579257	527061295	/nfs/dbraw/zinc/06/12/95/527061295.db2.gz	JTYQTIIBXVJMRL-UHFFFAOYSA-N	0	0	401.404	2.221	50	5		HEBARN
COc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000004663680	536735164	/nfs/dbraw/zinc/73/51/64/536735164.db2.gz	DFDVNCBXJODJAV-UHFFFAOYSA-N	0	0	400.460	2.440	50	5		HEBARN
CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1c3ccccc3C=NN1[C@@H]2C(=O)c1cccc([N+](=O)[O-])c1	ZINC000043191180	558413901	/nfs/dbraw/zinc/41/39/01/558413901.db2.gz	AYYWAUVPDVVMLV-MANSERQUSA-N	0	0	418.409	2.172	50	5		HEBARN
COc1ccccc1N1C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@@H]2CS(=O)(=O)C[C@H]21	ZINC000004393624	558486031	/nfs/dbraw/zinc/48/60/31/558486031.db2.gz	SFBXONOUYYIQBC-HZPDHXFCSA-N	0	0	403.416	2.216	50	5		HEBARN
CC(C)CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000004505361	558616194	/nfs/dbraw/zinc/61/61/94/558616194.db2.gz	UPCNDLZXLAAUCK-NSHDSACASA-N	0	0	410.901	2.082	50	5		HEBARN
COc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000004569431	558737537	/nfs/dbraw/zinc/73/75/37/558737537.db2.gz	OHLKQEUEJQZRSX-MRXNPFEDSA-N	0	0	419.459	2.187	50	5		HEBARN
COC(=O)c1c(C)[nH]c(C(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])c1C	ZINC000011080748	558749074	/nfs/dbraw/zinc/74/90/74/558749074.db2.gz	RVJOMIICECJDKN-UHFFFAOYSA-N	0	0	405.407	2.316	50	5		HEBARN
COc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c(OC)c1	ZINC000016347398	558787343	/nfs/dbraw/zinc/78/73/43/558787343.db2.gz	LXFPPIXZFUSXKI-UHFFFAOYSA-N	0	0	423.447	2.325	50	5		HEBARN
O=c1oc2cc(S(=O)(=O)N3CCCC3)ccc2n1Cc1ccc([N+](=O)[O-])cc1	ZINC000011689651	559177773	/nfs/dbraw/zinc/17/77/73/559177773.db2.gz	RUBWQJSKPNXXHO-UHFFFAOYSA-N	0	0	403.416	2.336	50	5		HEBARN
COc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000005025304	559230117	/nfs/dbraw/zinc/23/01/17/559230117.db2.gz	HMJJIGXNNXSZEZ-QGZVFWFLSA-N	0	0	404.444	2.433	50	5		HEBARN
COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@]12c1ccc(Cl)cc1	ZINC000033838100	559249481	/nfs/dbraw/zinc/24/94/81/559249481.db2.gz	ONOCEVUARQLKJH-VCBZYWHSSA-N	0	0	400.774	2.478	50	5		HEBARN
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3N3CCCN23)cc1	ZINC000100798547	559268081	/nfs/dbraw/zinc/26/80/81/559268081.db2.gz	LFJYIJPHPSWGEJ-OTWHNJEPSA-N	0	0	408.414	2.139	50	5		HEBARN
O=C(Cn1nc(-c2ccc([N+](=O)[O-])cc2)ccc1=O)Nc1ccc2c(c1)OCCO2	ZINC000005400506	560583366	/nfs/dbraw/zinc/58/33/66/560583366.db2.gz	JIAHZEVOQITHIJ-UHFFFAOYSA-N	0	0	408.370	2.228	50	5		HEBARN
Cc1c(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C	ZINC000003462760	560595539	/nfs/dbraw/zinc/59/55/39/560595539.db2.gz	XEMLDWFFOFAQCA-UHFFFAOYSA-N	0	0	423.429	2.151	50	5		HEBARN
O=C1C[C@@H](Sc2nnnn2-c2ccccc2)C(=O)N1c1ccc(F)c([N+](=O)[O-])c1	ZINC000100937560	560763251	/nfs/dbraw/zinc/76/32/51/560763251.db2.gz	LXIDWEYMBLLXEF-CQSZACIVSA-N	0	0	414.378	2.134	50	5		HEBARN
CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1	ZINC000018072222	560774698	/nfs/dbraw/zinc/77/46/98/560774698.db2.gz	NGCRQVPVHWKMHI-UHFFFAOYSA-N	0	0	417.393	2.299	50	5		HEBARN
COc1ccc(C2=NO[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(=O)[C@@H]23)cc1OC	ZINC000102564089	560816464	/nfs/dbraw/zinc/81/64/64/560816464.db2.gz	GPTJDNKNJXNIQE-FUHWJXTLSA-N	0	0	411.370	2.213	50	5		HEBARN
COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(O)=C23)c(OC)c1	ZINC000104067901	560847890	/nfs/dbraw/zinc/84/78/90/560847890.db2.gz	HQFBSTJYGJNOAN-FUHWJXTLSA-N	0	0	411.370	2.213	50	5		HEBARN
Cn1c2cn(-c3cc([N+](=O)[O-])ccc3N)c(-c3ccc(F)cc3)c2c(=O)n(C)c1=O	ZINC000012324251	568471609	/nfs/dbraw/zinc/47/16/09/568471609.db2.gz	JARLXDFXSDNDIE-UHFFFAOYSA-N	0	0	409.377	2.324	50	5		HEBARN
O=C(NC1CCN(c2nc3ccccn3c(=O)c2[N+](=O)[O-])CC1)Oc1ccccc1	ZINC000095348559	568600181	/nfs/dbraw/zinc/60/01/81/568600181.db2.gz	BLOAJAFWSHDARE-UHFFFAOYSA-N	0	0	409.402	2.360	50	5		HEBARN
Cc1n[nH]cc1CCCNC(=O)[C@H](C)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000095397411	568604553	/nfs/dbraw/zinc/60/45/53/568604553.db2.gz	IEVCEZDEWYSXMD-LLVKDONJSA-N	0	0	407.858	2.395	50	5		HEBARN
O=C(NC[C@@H]1CS(=O)(=O)CCO1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	ZINC000095454257	568616066	/nfs/dbraw/zinc/61/60/66/568616066.db2.gz	JBXKODIAIXILOG-LLVKDONJSA-N	0	0	414.823	2.052	50	5		HEBARN
CCCNC(=O)Cn1c2cc(Cl)ccc2c(=O)n(-c2cccc([N+](=O)[O-])c2)c1=O	ZINC000096317842	568723776	/nfs/dbraw/zinc/72/37/76/568723776.db2.gz	VCJAIRFPDRLLQD-UHFFFAOYSA-N	0	0	416.821	2.240	50	5		HEBARN
Cc1cc2c(cc1S(=O)(=O)N1CCOCC1)Oc1ccc([N+](=O)[O-])cc1C(=O)N2	ZINC000015084201	568749951	/nfs/dbraw/zinc/74/99/51/568749951.db2.gz	MNYOIUXNIBFRFK-UHFFFAOYSA-N	0	0	419.415	2.282	50	5		HEBARN
CCOC(=O)CCC[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1[nH]c(=O)[nH]c1C	ZINC000096593765	568763594	/nfs/dbraw/zinc/76/35/94/568763594.db2.gz	PVFZRTUMSVDQOH-AWEZNQCLSA-N	0	0	419.390	2.061	50	5		HEBARN
Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-]	ZINC000001055909	568765018	/nfs/dbraw/zinc/76/50/18/568765018.db2.gz	GLIXCPPZGMCSFB-UHFFFAOYSA-N	0	0	407.423	2.189	50	5		HEBARN
COc1ccc(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1	ZINC000001144009	568772283	/nfs/dbraw/zinc/77/22/83/568772283.db2.gz	SUSMOPPKNPNYOL-LBPRGKRZSA-N	0	0	423.447	2.405	50	5		HEBARN
O=C(CCc1nc2ccccc2c(=O)[nH]1)OCc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000002617100	568785764	/nfs/dbraw/zinc/78/57/64/568785764.db2.gz	XAIOKYPUTLEDKQ-UHFFFAOYSA-N	0	0	411.370	2.374	50	5		HEBARN
O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCc1nnc(-c2ccccc2)o1	ZINC000002642401	568794086	/nfs/dbraw/zinc/79/40/86/568794086.db2.gz	PXBQWYUQLFQKQV-UHFFFAOYSA-N	0	0	422.353	2.374	50	5		HEBARN
O=C(c1ccccc1Cl)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000001176036	568818914	/nfs/dbraw/zinc/81/89/14/568818914.db2.gz	ZFUDMPWGJXLBIZ-UHFFFAOYSA-N	0	0	409.851	2.395	50	5		HEBARN
COc1cc(NC(=O)COC(=O)CNC(=O)c2ccc(C)cc2)c(C)cc1[N+](=O)[O-]	ZINC000005885998	568828255	/nfs/dbraw/zinc/82/82/55/568828255.db2.gz	UWHYOVPHZKAECG-UHFFFAOYSA-N	0	0	415.402	2.132	50	5	aggregator	HEBARN
CCOC(=O)CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-]	ZINC000003024743	568841071	/nfs/dbraw/zinc/84/10/71/568841071.db2.gz	KYAMYKUPOHOPCH-JSGCOSHPSA-N	0	0	412.464	2.240	50	5		HEBARN
O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000003311513	568853486	/nfs/dbraw/zinc/85/34/86/568853486.db2.gz	VNOCNEUNLNVWKZ-UHFFFAOYSA-N	0	0	417.761	2.026	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc2c(c1)NC(=O)CS2	ZINC000003376968	568857682	/nfs/dbraw/zinc/85/76/82/568857682.db2.gz	CEJZSIQKQRRBOK-UHFFFAOYSA-N	0	0	417.399	2.443	50	5		HEBARN
COC(=O)c1cc(C(=O)OCC(=O)Nc2ccc(OC)c(OC)c2)cc([N+](=O)[O-])c1	ZINC000003254891	568868252	/nfs/dbraw/zinc/86/82/52/568868252.db2.gz	QMSVBTWFPRVEMS-UHFFFAOYSA-N	0	0	418.358	2.194	50	5		HEBARN
COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)NCc1ccccc1[N+](=O)[O-]	ZINC000057996457	568873438	/nfs/dbraw/zinc/87/34/38/568873438.db2.gz	SUVDUUOHKGIBMY-UHFFFAOYSA-N	0	0	420.447	2.366	50	5		HEBARN
O=C1N(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2C12OCCO2	ZINC000004105292	568909018	/nfs/dbraw/zinc/90/90/18/568909018.db2.gz	VBEXKFHLYITIMU-UHFFFAOYSA-N	0	0	410.791	2.183	50	5		HEBARN
COCCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000003636601	568921264	/nfs/dbraw/zinc/92/12/64/568921264.db2.gz	WWWVAEOOKGLDFK-ABAIWWIYSA-N	0	0	405.432	2.433	50	5		HEBARN
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](c2nnc3ccccn32)C1	ZINC000083923720	568925998	/nfs/dbraw/zinc/92/59/98/568925998.db2.gz	KRXXCVMETIATDK-ZDUSSCGKSA-N	0	0	417.447	2.214	50	5		HEBARN
O=C(Nc1cccc([N+](=O)[O-])c1)c1c[nH]c(=O)n(-c2ccc(F)c(Cl)c2)c1=O	ZINC000004033840	568935182	/nfs/dbraw/zinc/93/51/82/568935182.db2.gz	JELCYDSJCPFQJK-UHFFFAOYSA-N	0	0	404.741	2.479	50	5		HEBARN
O=C(C1=C2C(O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCCN12)c1ccccc1	ZINC000229617916	568952336	/nfs/dbraw/zinc/95/23/36/568952336.db2.gz	QRAXTPMBZOPHQS-MANSERQUSA-N	0	0	405.410	2.430	50	5		HEBARN
O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1	ZINC000004318659	568962890	/nfs/dbraw/zinc/96/28/90/568962890.db2.gz	DGFMRDXOIQTZRB-CQSZACIVSA-N	0	0	410.473	2.251	50	5		HEBARN
O=C(COC(=O)CNC(=O)c1ccccc1F)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000008135518	568976945	/nfs/dbraw/zinc/97/69/45/568976945.db2.gz	KZFGNMOMFZHZDM-UHFFFAOYSA-N	0	0	409.757	2.299	50	5		HEBARN
CC(C)[C@H](NC(=O)COc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccccc1	ZINC000012800026	568978527	/nfs/dbraw/zinc/97/85/27/568978527.db2.gz	VBGDCUXXMQUDKY-SFHVURJKSA-N	0	0	407.448	2.135	50	5		HEBARN
Cc1nn(CC(=O)N(C)CC(=O)Nc2ccccc2Br)c(C)c1[N+](=O)[O-]	ZINC000012926159	569023725	/nfs/dbraw/zinc/02/37/25/569023725.db2.gz	FOBLZELKPOBAEI-UHFFFAOYSA-N	0	0	424.255	2.268	50	5		HEBARN
COC(=O)c1ccc(C(=O)OC)c(NC(=O)CC(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000001761784	569052118	/nfs/dbraw/zinc/05/21/18/569052118.db2.gz	DCVBLGSWYCBYLQ-UHFFFAOYSA-N	0	0	400.343	2.380	50	5		HEBARN
CC(C)CNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3cnccn3)C[C@@H]12	ZINC000169677376	569125316	/nfs/dbraw/zinc/12/53/16/569125316.db2.gz	UMCJBWSMGSPRIT-HKUYNNGSSA-N	0	0	410.478	2.025	50	5		HEBARN
CCN(C(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1=CCCCC1	ZINC000007006683	569199407	/nfs/dbraw/zinc/19/94/07/569199407.db2.gz	NOAZWBQWYQHLRM-UHFFFAOYSA-N	0	0	415.402	2.040	50	5		HEBARN
O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000036594980	569204551	/nfs/dbraw/zinc/20/45/51/569204551.db2.gz	WPOJSMYKNYDWKZ-GOSISDBHSA-N	0	0	423.429	2.034	50	5		HEBARN
Cc1cc(Cl)ccc1NC(=O)COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000007061807	569217030	/nfs/dbraw/zinc/21/70/30/569217030.db2.gz	QGZXRMHPEDDVEM-UHFFFAOYSA-N	0	0	405.794	2.468	50	5		HEBARN
C[C@@H](OC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NCc1ccccc1	ZINC000010025485	569252846	/nfs/dbraw/zinc/25/28/46/569252846.db2.gz	GXDSOXOUQGDADC-GFCCVEGCSA-N	0	0	419.821	2.226	50	5		HEBARN
O=C(c1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1	ZINC000007805784	569311489	/nfs/dbraw/zinc/31/14/89/569311489.db2.gz	BFBFWZMCYZPHRO-NTEUORMPSA-N	0	0	401.444	2.353	50	5		HEBARN
COc1ccccc1N1CCN([C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)CC1	ZINC000018249449	569414006	/nfs/dbraw/zinc/41/40/06/569414006.db2.gz	JBVVRBGZTCQRGM-GOSISDBHSA-N	0	0	410.430	2.058	50	5		HEBARN
Cc1c(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000078821869	569420669	/nfs/dbraw/zinc/42/06/69/569420669.db2.gz	SZQBQSTZVREVHO-SGTLLEGYSA-N	0	0	419.459	2.153	50	5		HEBARN
COc1ccc(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1OC	ZINC000019561102	569423315	/nfs/dbraw/zinc/42/33/15/569423315.db2.gz	SFHALPZPWDHMOM-UHFFFAOYSA-N	0	0	421.475	2.119	50	5		HEBARN
COc1ccc(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c(OC)c1	ZINC000019852358	569431083	/nfs/dbraw/zinc/43/10/83/569431083.db2.gz	HCTGEQIFWQSWIL-UHFFFAOYSA-N	0	0	421.475	2.119	50	5		HEBARN
COc1ccc([C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)N2CCOCC2)cc1	ZINC000019897871	569433124	/nfs/dbraw/zinc/43/31/24/569433124.db2.gz	ASUXZXZJCMGQLN-FQEVSTJZSA-N	0	0	415.446	2.172	50	5		HEBARN
CN(Cc1cccs1)C(=O)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000008646663	571098116	/nfs/dbraw/zinc/09/81/16/571098116.db2.gz	YTZDZXZKEHGZFP-SFHVURJKSA-N	0	0	402.432	2.082	50	5		HEBARN
C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)Nc2cccnc2Cl)C1=O	ZINC000008645812	571098126	/nfs/dbraw/zinc/09/81/26/571098126.db2.gz	LQPCHHKQBQPWEH-QGZVFWFLSA-N	0	0	403.782	2.049	50	5		HEBARN
O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000008867865	571129632	/nfs/dbraw/zinc/12/96/32/571129632.db2.gz	JATLITXWKAJKEZ-QGZVFWFLSA-N	0	0	422.434	2.329	50	5		HEBARN
O=C(COc1ccccc1[N+](=O)[O-])N(Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000008916203	571151690	/nfs/dbraw/zinc/15/16/90/571151690.db2.gz	ZOOBINOAHHAQIZ-MRXNPFEDSA-N	0	0	422.434	2.329	50	5		HEBARN
CC(=O)c1ccc(N2CCN(S(=O)(=O)c3cc(C)ccc3O)CC2)c([N+](=O)[O-])c1	ZINC000040155557	571202658	/nfs/dbraw/zinc/20/26/58/571202658.db2.gz	GAJDJZYBKJADFG-UHFFFAOYSA-N	0	0	419.459	2.322	50	5		HEBARN
CC(=O)Nc1ccc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1	ZINC000009372932	571252566	/nfs/dbraw/zinc/25/25/66/571252566.db2.gz	WADWNXGGQFTCLS-UHFFFAOYSA-N	0	0	420.447	2.318	50	5		HEBARN
Cc1cc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n(-c2ccccn2)n1	ZINC000009402947	571255022	/nfs/dbraw/zinc/25/50/22/571255022.db2.gz	DXJBQKMBUQGLEM-UHFFFAOYSA-N	0	0	420.385	2.109	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)Cc1cn2ccsc2n1	ZINC000009631229	571274684	/nfs/dbraw/zinc/27/46/84/571274684.db2.gz	JCQGRTUVRDIJSC-JTQLQIEISA-N	0	0	404.404	2.426	50	5		HEBARN
CCOc1ccccc1-n1c(=O)[nH]c2c1nc(-c1ccccc1[N+](=O)[O-])nc2C(N)=O	ZINC000010188005	571296328	/nfs/dbraw/zinc/29/63/28/571296328.db2.gz	XVFDHGITKFMOLF-UHFFFAOYSA-N	0	0	420.385	2.182	50	5		HEBARN
O=[N+]([O-])c1cccc(S(=O)(=O)NCCOc2ccc(-c3ccccc3)nn2)c1	ZINC000010275788	571299230	/nfs/dbraw/zinc/29/92/30/571299230.db2.gz	VNBQUMMZTBVOAX-UHFFFAOYSA-N	0	0	400.416	2.409	50	5		HEBARN
Cc1ccc([N+](=O)[O-])cc1N1C(=O)C[C@@H](Nc2ccc(N3CCOCC3)cc2)C1=O	ZINC000001164842	132240003	/nfs/dbraw/zinc/24/00/03/132240003.db2.gz	UPKRCPQJGUXDNC-GOSISDBHSA-N	0	0	410.430	2.484	50	5		HEBARN
COC(=O)c1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1N1CCOCC1	ZINC000004711475	132284812	/nfs/dbraw/zinc/28/48/12/132284812.db2.gz	MVTNDBHWZPBHLM-UHFFFAOYSA-N	0	0	415.402	2.236	50	5		HEBARN
NC(=O)c1c2c(sc1NC(=O)c1ccc(N3CCOCC3)c([N+](=O)[O-])c1)CCC2	ZINC000004982165	132297589	/nfs/dbraw/zinc/29/75/89/132297589.db2.gz	ZZTCFSYTYVEXAF-UHFFFAOYSA-N	0	0	416.459	2.333	50	5		HEBARN
C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)C(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000006533687	132311509	/nfs/dbraw/zinc/31/15/09/132311509.db2.gz	RPTHKUNWNOZKPK-CYBMUJFWSA-N	0	0	414.418	2.198	50	5		HEBARN
O=C(c1cc(N2CC[NH2+]CC2)c2nc3ccccc3c(=O)n2c1)c1ccccc1[O-]	ZINC000008986744	132334486	/nfs/dbraw/zinc/33/44/86/132334486.db2.gz	HCJVJLYCROZEQB-UHFFFAOYSA-N	0	0	400.438	2.194	50	5		HEBARN
O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)Nc1cccc(F)c1	ZINC000012521676	132361608	/nfs/dbraw/zinc/36/16/08/132361608.db2.gz	FHEIFUFZXWDONY-UHFFFAOYSA-N	0	0	403.366	2.366	50	5		HEBARN
CC(=O)c1ccc(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c([N+](=O)[O-])c1	ZINC000015143762	132461347	/nfs/dbraw/zinc/46/13/47/132461347.db2.gz	HBHXUWMTGVSCMU-UHFFFAOYSA-N	0	0	413.459	2.189	50	5		HEBARN
COC(=O)c1ccc(OCC(=O)Nc2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])c1	ZINC000024937768	132485120	/nfs/dbraw/zinc/48/51/20/132485120.db2.gz	UHUHAFFUCCOMSH-UHFFFAOYSA-N	0	0	415.402	2.236	50	5		HEBARN
COCc1n[nH]c(-n2ccc3nc4ccn(Cc5ccccc5)c(=O)c4cc3c2=O)n1	ZINC000040399004	523163597	/nfs/dbraw/zinc/16/35/97/523163597.db2.gz	FGDKSTGSMYPLLD-UHFFFAOYSA-N	0	0	414.425	2.013	50	5		HEBARN
COc1ccc(OC)c(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1	ZINC000019851736	524828123	/nfs/dbraw/zinc/82/81/23/524828123.db2.gz	OJIGQOQOPHLFTG-UHFFFAOYSA-N	0	0	421.475	2.119	50	5		HEBARN
CC(C)(C)c1nnc(SCC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)[nH]1	ZINC000012106285	535156338	/nfs/dbraw/zinc/15/63/38/535156338.db2.gz	GOIYBAWAAZYVHA-UHFFFAOYSA-N	0	0	404.496	2.451	50	5		HEBARN
Cc1nnnn1/C(=C/c1ccccc1)C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000097664382	557841330	/nfs/dbraw/zinc/84/13/30/557841330.db2.gz	YMGWYPKLLMGFDL-GZTJUZNOSA-N	0	0	408.374	2.070	50	5		HEBARN
CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1c3ccccc3C=NN1[C@@H]2C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000043191176	558413821	/nfs/dbraw/zinc/41/38/21/558413821.db2.gz	OUFAZERCQOPLKE-MANSERQUSA-N	0	0	418.409	2.172	50	5		HEBARN
O=C(NCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1cccs1)N1CCOCC1	ZINC000022357932	558482993	/nfs/dbraw/zinc/48/29/93/558482993.db2.gz	YZKAYLACPHRGBA-KRWDZBQOSA-N	0	0	419.507	2.441	50	5		HEBARN
Cc1ccccc1-n1ncc2c1ncn(CC(=O)Nc1ccc([N+](=O)[O-])cc1)c2=O	ZINC000004479035	558601510	/nfs/dbraw/zinc/60/15/10/558601510.db2.gz	NUIDUDMQCHJXCX-UHFFFAOYSA-N	0	0	404.386	2.438	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)CCNC(=O)Cn1ccc2ccccc2c1=O	ZINC000013573627	558844815	/nfs/dbraw/zinc/84/48/15/558844815.db2.gz	KHSUBTNTNVFUTI-UHFFFAOYSA-N	0	0	424.413	2.063	50	5		HEBARN
C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1cccs1)N1CCOCC1	ZINC000023181865	559031676	/nfs/dbraw/zinc/03/16/76/559031676.db2.gz	OPCAHCFFZFPZLQ-GUYCJALGSA-N	0	0	411.505	2.397	50	5		HEBARN
C[C@@H](OC(=O)C1=COCCO1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	ZINC000011444761	559076353	/nfs/dbraw/zinc/07/63/53/559076353.db2.gz	DEJXYNQDAYXTKQ-SNVBAGLBSA-N	0	0	405.388	2.477	50	5		HEBARN
COc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000005025305	559230149	/nfs/dbraw/zinc/23/01/49/559230149.db2.gz	HMJJIGXNNXSZEZ-KRWDZBQOSA-N	0	0	404.444	2.433	50	5		HEBARN
COc1ccc(NC(=O)c2ccc(NCCN3C(=O)CCC3=O)c([N+](=O)[O-])c2)cc1	ZINC000005065329	559239369	/nfs/dbraw/zinc/23/93/69/559239369.db2.gz	UPPMLZFTRRXMJB-UHFFFAOYSA-N	0	0	412.402	2.417	50	5		HEBARN
CCOCCCn1c(=N)c(C(=O)NCc2ccco2)cc2c1nc1ccccn1c2=O	ZINC000100628062	559245575	/nfs/dbraw/zinc/24/55/75/559245575.db2.gz	BYSLEMKTGXXJON-UHFFFAOYSA-N	0	0	421.457	2.078	50	5		HEBARN
O=[N+]([O-])c1ccc(NC[C@H](CO)Cc2ccco2)c(S(=O)(=O)N2CCCC2)c1	ZINC000024205864	559278026	/nfs/dbraw/zinc/27/80/26/559278026.db2.gz	DAYUDFUBWXWHGK-CQSZACIVSA-N	0	0	409.464	2.235	50	5		HEBARN
CCOc1ccc(N2C[C@H](NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1	ZINC000005222096	560545208	/nfs/dbraw/zinc/54/52/08/560545208.db2.gz	JMCDYBLOZHRQOD-CYBMUJFWSA-N	0	0	405.432	2.077	50	5		HEBARN
CS(=O)(=O)c1ccc(N2CCC(c3nnc4ccccn43)CC2)c([N+](=O)[O-])c1	ZINC000018060908	560774275	/nfs/dbraw/zinc/77/42/75/560774275.db2.gz	PPOAOYRKAWUHJR-UHFFFAOYSA-N	0	0	401.448	2.425	50	5		HEBARN
CCOC(=O)C1=C(N)N=C(OCC)[C@@H](C(=O)OCC)[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000101358217	560793273	/nfs/dbraw/zinc/79/32/73/560793273.db2.gz	ZLVUZXAWMQKQHC-ZFWWWQNUSA-N	0	0	405.407	2.040	50	5		HEBARN
CNc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)c(F)c2)cc1[N+](=O)[O-]	ZINC000005701634	560797825	/nfs/dbraw/zinc/79/78/25/560797825.db2.gz	BEWXINZAPCKEMI-UHFFFAOYSA-N	0	0	410.427	2.343	50	5		HEBARN
C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1	ZINC000005708727	560804874	/nfs/dbraw/zinc/80/48/74/560804874.db2.gz	ZXYCUDWIQKNHED-GJZGRUSLSA-N	0	0	405.451	2.093	50	5		HEBARN
Cc1cccc(NC(=O)CSCC(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000022061504	568473573	/nfs/dbraw/zinc/47/35/73/568473573.db2.gz	RLKNFWLBJXFKID-QGZVFWFLSA-N	0	0	403.460	2.425	50	5		HEBARN
Nc1nc(NCCCN2CCOCC2)nc(Nc2cccc(Cl)c2)c1[N+](=O)[O-]	ZINC000020329195	568599195	/nfs/dbraw/zinc/59/91/95/568599195.db2.gz	SWTMHBFDSGLJKE-UHFFFAOYSA-N	0	0	407.862	2.498	50	5		HEBARN
Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2cccnc2N2CCOCC2)c1	ZINC000040106565	568617573	/nfs/dbraw/zinc/61/75/73/568617573.db2.gz	RDYJREDVQSRJFN-UHFFFAOYSA-N	0	0	400.435	2.220	50	5		HEBARN
CCn1ncc(Br)c1CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000020608124	568636472	/nfs/dbraw/zinc/63/64/72/568636472.db2.gz	WQLPRXJIRLJIHR-UHFFFAOYSA-N	0	0	403.258	2.394	50	5		HEBARN
CCn1ncc(Br)c1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000020608168	568636529	/nfs/dbraw/zinc/63/65/29/568636529.db2.gz	KWCAVVLKQDBZIC-UHFFFAOYSA-N	0	0	403.258	2.394	50	5		HEBARN
O=C(Cc1cccc(F)c1)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000025021718	568725595	/nfs/dbraw/zinc/72/55/95/568725595.db2.gz	WHOMXIOHDZMGDB-UHFFFAOYSA-N	0	0	401.394	2.168	50	5		HEBARN
CNc1ccc(S(=O)(=O)NCC(=O)OC/C=C\c2ccccc2)cc1[N+](=O)[O-]	ZINC000096445489	568752699	/nfs/dbraw/zinc/75/26/99/568752699.db2.gz	BXSAWQVGBJISPO-YVMONPNESA-N	0	0	405.432	2.171	50	5		HEBARN
COc1ccc(OC)c(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	ZINC000001137351	568773547	/nfs/dbraw/zinc/77/35/47/568773547.db2.gz	OIRUSGATRYXRPZ-UHFFFAOYSA-N	0	0	409.420	2.017	50	5		HEBARN
COc1cc(CCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(F)F	ZINC000015135487	568774913	/nfs/dbraw/zinc/77/49/13/568774913.db2.gz	GRFRHPQZQFUZGQ-UHFFFAOYSA-N	0	0	423.372	2.294	50	5		HEBARN
CNC(=O)[C@@H](Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])C(C)C	ZINC000225606097	568775797	/nfs/dbraw/zinc/77/57/97/568775797.db2.gz	AFOZALJXWBHXTI-KRWDZBQOSA-N	0	0	412.512	2.342	50	5		HEBARN
COc1ccc(NC(=O)CN2CCN(c3ccccc3OC)CC2)c([N+](=O)[O-])c1	ZINC000055556952	568779292	/nfs/dbraw/zinc/77/92/92/568779292.db2.gz	OTHSIHAXDWSHER-UHFFFAOYSA-N	0	0	400.435	2.373	50	5		HEBARN
O=C1Nc2ccc(S(=O)(=O)NC[C@H](O)c3ccc([N+](=O)[O-])cc3)c3cccc1c23	ZINC000002685054	568800689	/nfs/dbraw/zinc/80/06/89/568800689.db2.gz	BGCNJTLPTXKOGS-INIZCTEOSA-N	0	0	413.411	2.326	50	5		HEBARN
C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000028727328	568804121	/nfs/dbraw/zinc/80/41/21/568804121.db2.gz	TZRCLQRXHHSAOO-LBPRGKRZSA-N	0	0	407.448	2.302	50	5		HEBARN
COc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1OC	ZINC000002851378	568813059	/nfs/dbraw/zinc/81/30/59/568813059.db2.gz	QFEFWTWYDCYTOO-UHFFFAOYSA-N	0	0	423.447	2.325	50	5		HEBARN
Cc1c(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cccc1[N+](=O)[O-]	ZINC000002887146	568814321	/nfs/dbraw/zinc/81/43/21/568814321.db2.gz	OWFWANRXIMMKJT-UHFFFAOYSA-N	0	0	407.404	2.037	50	5		HEBARN
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000001174754	568818899	/nfs/dbraw/zinc/81/88/99/568818899.db2.gz	LMJNLXWCCNXTSP-RUDMXATFSA-N	0	0	417.443	2.268	50	5		HEBARN
CCOc1ccc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c([N+](=O)[O-])c1	ZINC000005869525	568827260	/nfs/dbraw/zinc/82/72/60/568827260.db2.gz	GOASMIITLQNJIE-BLVKFPJESA-N	0	0	404.423	2.433	50	5		HEBARN
CCS(=O)(=O)c1ccccc1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1	ZINC000057568472	568854143	/nfs/dbraw/zinc/85/41/43/568854143.db2.gz	FJVFLVOYFFRKOX-UHFFFAOYSA-N	0	0	403.460	2.351	50	5		HEBARN
COc1ccccc1CN(C)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1	ZINC000012597683	568869239	/nfs/dbraw/zinc/86/92/39/568869239.db2.gz	PQXZJUCEMRZGHG-UHFFFAOYSA-N	0	0	421.475	2.261	50	5		HEBARN
CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F	ZINC000003332803	568882236	/nfs/dbraw/zinc/88/22/36/568882236.db2.gz	RDGBNZIIKYUMMG-INIZCTEOSA-N	0	0	407.354	2.263	50	5		HEBARN
C[C@@H](OC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000003529521	568912697	/nfs/dbraw/zinc/91/26/97/568912697.db2.gz	SURRNZNXKWRBKK-GFCCVEGCSA-N	0	0	422.397	2.435	50	5		HEBARN
Cc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1[N+](=O)[O-]	ZINC000012767988	568949640	/nfs/dbraw/zinc/94/96/40/568949640.db2.gz	IAXJRIFOQYGKIJ-UHFFFAOYSA-N	0	0	417.487	2.345	50	5		HEBARN
COc1ccc(CN(C(=O)c2ccccc2[N+](=O)[O-])[C@H]2CCS(=O)(=O)C2)cc1	ZINC000004318650	568962921	/nfs/dbraw/zinc/96/29/21/568962921.db2.gz	LKFBJNPBDKLAFS-HNNXBMFYSA-N	0	0	404.444	2.433	50	5		HEBARN
COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O	ZINC000004305102	568976915	/nfs/dbraw/zinc/97/69/15/568976915.db2.gz	OJMLQMFFNZGBRB-HXUWFJFHSA-N	0	0	412.402	2.318	50	5		HEBARN
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000008268102	568986203	/nfs/dbraw/zinc/98/62/03/568986203.db2.gz	MUYRPASZXNXKSZ-UHFFFAOYSA-N	0	0	405.432	2.176	50	5		HEBARN
COCCOC(=O)C1=C(C)Nc2[nH]c(=S)[nH]c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000008398413	568999480	/nfs/dbraw/zinc/99/94/80/568999480.db2.gz	AXPHJROUDHHVDC-ZDUSSCGKSA-N	0	0	418.431	2.362	50	5		HEBARN
COc1ccc(S(=O)(=O)NCCc2cnn(-c3ccccc3)c2)cc1[N+](=O)[O-]	ZINC000012918348	569022686	/nfs/dbraw/zinc/02/26/86/569022686.db2.gz	GRHHWSFHODIHRT-UHFFFAOYSA-N	0	0	402.432	2.310	50	5		HEBARN
CN1CCN(c2ccc(C(=O)Nc3ccccc3C(=O)NC3CC3)cc2[N+](=O)[O-])CC1	ZINC000016015345	569025596	/nfs/dbraw/zinc/02/55/96/569025596.db2.gz	NOYLSIDIYYQYMS-UHFFFAOYSA-N	0	0	423.473	2.491	50	5		HEBARN
O=C(/C=C/c1cccs1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000006507481	569061812	/nfs/dbraw/zinc/06/18/12/569061812.db2.gz	IPJBNNPHBCGHME-VOTSOKGWSA-N	0	0	407.473	2.203	50	5		HEBARN
O=C(NCC1CC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(C(=O)c3ccco3)C[C@@H]12	ZINC000035870331	569063980	/nfs/dbraw/zinc/06/39/80/569063980.db2.gz	GQFWLMZYDZSXQN-MJGOQNOKSA-N	0	0	424.457	2.217	50	5		HEBARN
CNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1	ZINC000027029463	569071602	/nfs/dbraw/zinc/07/16/02/569071602.db2.gz	XELGLGOROBXBEN-UHFFFAOYSA-N	0	0	418.475	2.148	50	5		HEBARN
O=C(NCCCN1CCCC1=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12	ZINC000036075294	569086865	/nfs/dbraw/zinc/08/68/65/569086865.db2.gz	WLQQWDTUXAFSAM-IEBWSBKVSA-N	0	0	400.479	2.255	50	5		HEBARN
CC(C)NC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000036251895	569119515	/nfs/dbraw/zinc/11/95/15/569119515.db2.gz	XPUUSMVSCVDYGD-IBGZPJMESA-N	0	0	402.495	2.436	50	5		HEBARN
Cc1cccc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1[N+](=O)[O-]	ZINC000006787831	569122176	/nfs/dbraw/zinc/12/21/76/569122176.db2.gz	CVVNRCSGMKKFKU-UHFFFAOYSA-N	0	0	405.432	2.176	50	5		HEBARN
CCOc1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2N)c([N+](=O)[O-])c1	ZINC000036640268	569216875	/nfs/dbraw/zinc/21/68/75/569216875.db2.gz	MKCLHTHUMJOMTF-UHFFFAOYSA-N	0	0	406.346	2.048	50	5		HEBARN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1OCc1nc2ccccc2o1	ZINC000009882217	569251330	/nfs/dbraw/zinc/25/13/30/569251330.db2.gz	NGNGTLHESDWKQO-UHFFFAOYSA-N	0	0	419.415	2.336	50	5		HEBARN
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1	ZINC000009955398	569252668	/nfs/dbraw/zinc/25/26/68/569252668.db2.gz	SFFNUHMOFWGIOP-UHFFFAOYSA-N	0	0	423.422	2.316	50	5		HEBARN
C[C@@H]1CN(C(=O)c2cc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc([N+](=O)[O-])c2)C[C@H](C)O1	ZINC000018008599	569382567	/nfs/dbraw/zinc/38/25/67/569382567.db2.gz	PQXIBZQSJUPPAD-ZQDZILKHSA-N	0	0	405.451	2.094	50	5		HEBARN
CCOC(=O)C1=C(CSc2nccn2C)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000012412650	569400884	/nfs/dbraw/zinc/40/08/84/569400884.db2.gz	JJBLPZWZTWPQNH-OAHLLOKOSA-N	0	0	417.447	2.292	50	5		HEBARN
Cc1ncc([N+](=O)[O-])n1Cc1nnc(SCC(=O)Nc2ccccc2F)n1C	ZINC000012427685	569401209	/nfs/dbraw/zinc/40/12/09/569401209.db2.gz	FNIURVYAFYFFKP-UHFFFAOYSA-N	0	0	405.415	2.146	50	5		HEBARN
Cc1nn(CC(=O)OCc2nc3ccc(Cl)cc3n2CCO)c(C)c1[N+](=O)[O-]	ZINC000012634568	569402368	/nfs/dbraw/zinc/40/23/68/569402368.db2.gz	JCPRQWBYPRLART-UHFFFAOYSA-N	0	0	407.814	2.147	50	5		HEBARN
CC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1	ZINC000012804479	569403644	/nfs/dbraw/zinc/40/36/44/569403644.db2.gz	WTHIWGJSLGPMDB-UHFFFAOYSA-N	0	0	421.431	2.366	50	5		HEBARN
COC(=O)[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccccc1	ZINC000079012874	569423620	/nfs/dbraw/zinc/42/36/20/569423620.db2.gz	GYSGNHFVCYBQSW-YVEFUNNKSA-N	0	0	408.432	2.432	50	5		HEBARN
CN1CCN(C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2cccs2)CC1	ZINC000019831182	569430946	/nfs/dbraw/zinc/43/09/46/569430946.db2.gz	DRTOPHXEQDSUSO-DTQAZKPQSA-N	0	0	400.460	2.201	50	5		HEBARN
COc1ccc([C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])N2CCOCC2)cc1	ZINC000019897850	569433092	/nfs/dbraw/zinc/43/30/92/569433092.db2.gz	HVMWUNHZQHAFQI-IBGZPJMESA-N	0	0	415.446	2.172	50	5		HEBARN
Cc1cc(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c(C)n1CCc1ccccc1	ZINC000040050066	571143955	/nfs/dbraw/zinc/14/39/55/571143955.db2.gz	XYHMYZQZULDVDW-UHFFFAOYSA-N	0	0	422.441	2.399	50	5		HEBARN
NC(=O)CN1c2ccccc2C(=O)N[C@H]1c1ccc(Br)c([N+](=O)[O-])c1	ZINC000040050599	571144294	/nfs/dbraw/zinc/14/42/94/571144294.db2.gz	QQMKBAIJYYTMEC-OAHLLOKOSA-N	0	0	405.208	2.091	50	5		HEBARN
C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCOc2cccc([N+](=O)[O-])c2)C1=O	ZINC000040116370	571173972	/nfs/dbraw/zinc/17/39/72/571173972.db2.gz	GRXXJZWVGGMTFQ-SFHVURJKSA-N	0	0	400.347	2.349	50	5		HEBARN
CCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@H](C)O[C@@H](C)[C@H]32)C1=O	ZINC000245329046	571224836	/nfs/dbraw/zinc/22/48/36/571224836.db2.gz	XFCKPAHRJYWKFD-PUDLSGOKSA-N	0	0	416.434	2.448	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1n[nH]c(=O)c2ccccc21	ZINC000009244693	571241179	/nfs/dbraw/zinc/24/11/79/571241179.db2.gz	QSTZRGUUDCRYOU-JTQLQIEISA-N	0	0	412.358	2.024	50	5		HEBARN
C[C@]12CCC(=O)N1[C@H](C(=O)OCc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CS2	ZINC000009441244	571259161	/nfs/dbraw/zinc/25/91/61/571259161.db2.gz	JTZDZAHNXCYRJX-SJCJKPOMSA-N	0	0	404.404	2.142	50	5		HEBARN
Cc1ccc(-n2ncc3c2ncn(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c3=O)cc1C	ZINC000010252142	571298327	/nfs/dbraw/zinc/29/83/27/571298327.db2.gz	QIGBBXDFYHWFKQ-UHFFFAOYSA-N	0	0	418.413	2.420	50	5		HEBARN
O=[N+]([O-])c1ccccc1S(=O)(=O)NCCOc1ccc(-c2ccccc2)nn1	ZINC000010275782	571299161	/nfs/dbraw/zinc/29/91/61/571299161.db2.gz	PVQBVSJDTDHVBB-UHFFFAOYSA-N	0	0	400.416	2.409	50	5		HEBARN
COc1ccccc1[C@H]1c2c(-c3ccc([N+](=O)[O-])cc3)n[nH]c(=O)c2Nc2nnnn21	ZINC000010296164	571299550	/nfs/dbraw/zinc/29/95/50/571299550.db2.gz	UUKGXXXUWLFUHL-KRWDZBQOSA-N	0	0	418.373	2.447	50	5		HEBARN
COc1cccc(-c2n[nH]c(=O)c3c2[C@H](c2cccc([N+](=O)[O-])c2)n2nnnc2N3)c1	ZINC000010296842	571299645	/nfs/dbraw/zinc/29/96/45/571299645.db2.gz	OWYDTSQKCKMPNY-KRWDZBQOSA-N	0	0	418.373	2.447	50	5		HEBARN
CN(CCO)c1cc(N2CCN(c3ccc(F)cc3)CC2)c2nonc2c1[N+](=O)[O-]	ZINC000004193978	132273135	/nfs/dbraw/zinc/27/31/35/132273135.db2.gz	VPHHLIRRDVZGCR-UHFFFAOYSA-N	0	0	416.413	2.025	50	5		HEBARN
Cc1c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)sc2ncn(C)c(=O)c12	ZINC000004683601	132282831	/nfs/dbraw/zinc/28/28/31/132282831.db2.gz	DSSRSANCIYUXIY-UHFFFAOYSA-N	0	0	413.459	2.174	50	5		HEBARN
CN(C)S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1	ZINC000004687441	132283270	/nfs/dbraw/zinc/28/32/70/132283270.db2.gz	JETQGISRNSCSPH-UHFFFAOYSA-N	0	0	419.507	2.135	50	5		HEBARN
COc1ccccc1N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000004746792	132287056	/nfs/dbraw/zinc/28/70/56/132287056.db2.gz	WMOBTAXUDIGGBL-UHFFFAOYSA-N	0	0	400.391	2.403	50	5		HEBARN
O=C(CNC(=O)c1ccccc1F)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1	ZINC000009379134	132339212	/nfs/dbraw/zinc/33/92/12/132339212.db2.gz	UYUBTVYDVYBVRS-UHFFFAOYSA-N	0	0	420.828	2.466	50	5		HEBARN
CC(C)NS(=O)(=O)c1ccc(N2CCN(c3nccs3)CC2)c([N+](=O)[O-])c1	ZINC000012634559	132365534	/nfs/dbraw/zinc/36/55/34/132365534.db2.gz	JHKZEGZBWKYQLA-UHFFFAOYSA-N	0	0	411.509	2.065	50	5		HEBARN
COc1ccc(OC)c2c1CN(c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C[C@H]2O	ZINC000021674356	132472870	/nfs/dbraw/zinc/47/28/70/132472870.db2.gz	AKXNRPTVXSFPLO-OAHLLOKOSA-N	0	0	408.432	2.069	50	5		HEBARN
CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1c3ccccc3C=NN1[C@@H]2C(=O)c1cccc([N+](=O)[O-])c1	ZINC000043191178	521530326	/nfs/dbraw/zinc/53/03/26/521530326.db2.gz	AYYWAUVPDVVMLV-RDGPPVDQSA-N	0	0	418.409	2.172	50	5		HEBARN
COc1ccc(-c2noc(CN3CCN(C(=O)c4ccc([N+](=O)[O-])o4)CC3)n2)cc1	ZINC000032904589	523290021	/nfs/dbraw/zinc/29/00/21/523290021.db2.gz	KNOPPLLTHWLGAA-UHFFFAOYSA-N	0	0	413.390	2.204	50	5		HEBARN
O=C1N=C2N(CCN3CCOCC3)c3ccccc3N2/C1=C\c1ccc([N+](=O)[O-])o1	ZINC000032124810	527047202	/nfs/dbraw/zinc/04/72/02/527047202.db2.gz	HSYHNALSDMEJIV-LGMDPLHJSA-N	0	0	409.402	2.084	50	5		HEBARN
O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1	ZINC000045879752	527524960	/nfs/dbraw/zinc/52/49/60/527524960.db2.gz	FXVVPXNPGPGQBR-UHFFFAOYSA-N	0	0	409.402	2.408	50	5		HEBARN
COC[C@@](C)(CCO)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-]	ZINC000229877443	557862098	/nfs/dbraw/zinc/86/20/98/557862098.db2.gz	IHEFLJSVFKVKHE-RDTXWAMCSA-N	0	0	415.512	2.215	50	5		HEBARN
CC[C@H](C)N1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C1=O	ZINC000229901397	558427086	/nfs/dbraw/zinc/42/70/86/558427086.db2.gz	FTULSNBLRBFGCO-APXLUKDGSA-N	0	0	400.435	2.373	50	5		HEBARN
CC(=O)OCCCNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1	ZINC000004474146	558599259	/nfs/dbraw/zinc/59/92/59/558599259.db2.gz	HGNISFJJRUMNLE-XMHGGMMESA-N	0	0	411.414	2.435	50	5	biogenic	HEBARN
O=c1c2cc3c(ccn(-c4ccccc4)c3=O)nc2ccn1CCN1CCOCC1	ZINC000036358145	558799473	/nfs/dbraw/zinc/79/94/73/558799473.db2.gz	SKOSYDOMJBEKOD-UHFFFAOYSA-N	0	0	402.454	2.033	50	5		HEBARN
COc1cccc(-n2ccc3nc4ccn(-n5c(C)nnc5C)c(=O)c4cc3c2=O)c1	ZINC000038829286	558816274	/nfs/dbraw/zinc/81/62/74/558816274.db2.gz	WUZYOLJIUUUDOF-UHFFFAOYSA-N	0	0	414.425	2.229	50	5		HEBARN
CN(C(=O)COC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCCC1	ZINC000023079920	558999185	/nfs/dbraw/zinc/99/91/85/558999185.db2.gz	IEQQLYKGUWSSMX-UHFFFAOYSA-N	0	0	409.464	2.120	50	5		HEBARN
Cc1ccc2nc3c(cc(C(=O)NCc4cccnc4)c(=N)n3C(C)C)c(=O)n2c1	ZINC000100630631	559246987	/nfs/dbraw/zinc/24/69/87/559246987.db2.gz	WJIDIOBOCMONGU-UHFFFAOYSA-N	0	0	402.458	2.343	50	5	aggregator	HEBARN
CC(C)[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O[C@H](C)C(=O)NC1CC1	ZINC000005231433	560547764	/nfs/dbraw/zinc/54/77/64/560547764.db2.gz	OTPFNDIDSBUOAT-BMIGLBTASA-N	0	0	411.842	2.213	50	5		HEBARN
Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1[N+](=O)[O-]	ZINC000005633246	560635083	/nfs/dbraw/zinc/63/50/83/560635083.db2.gz	VSLNZCBQLKRQEY-UHFFFAOYSA-N	0	0	405.432	2.176	50	5		HEBARN
CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccc(OC)cc2)c1=N	ZINC000100919013	560763204	/nfs/dbraw/zinc/76/32/04/560763204.db2.gz	KXIJKIKPDNVFBM-UHFFFAOYSA-N	0	0	404.426	2.362	50	5		HEBARN
COc1ccc(N2C(=O)C[C@H](N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)cc1	ZINC000100970173	560765094	/nfs/dbraw/zinc/76/50/94/560765094.db2.gz	TWAZCJIWLNONJM-IBGZPJMESA-N	0	0	410.430	2.058	50	5		HEBARN
COC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1ccc(C(=O)OC)cc12	ZINC000005695460	560786314	/nfs/dbraw/zinc/78/63/14/560786314.db2.gz	MYUKRMSEYOJSDJ-UHFFFAOYSA-N	0	0	402.366	2.450	50	5		HEBARN
O=C([C@H]1CCCN(C(=O)N2CCCC2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000046690968	560805334	/nfs/dbraw/zinc/80/53/34/560805334.db2.gz	CHHTVBWGCQCFDK-KRWDZBQOSA-N	0	0	415.494	2.171	50	5		HEBARN
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H](C)Cn1ccnc1	ZINC000048235836	568432841	/nfs/dbraw/zinc/43/28/41/568432841.db2.gz	DGLPAKBIXVQWAP-MLGOLLRUSA-N	0	0	407.858	2.404	50	5		HEBARN
COc1cc(C(=O)OCCCN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])cc1OC	ZINC000024727896	568459689	/nfs/dbraw/zinc/45/96/89/568459689.db2.gz	FHASROLAMQFMFJ-UHFFFAOYSA-N	0	0	414.370	2.455	50	5		HEBARN
O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1	ZINC000024925061	568486140	/nfs/dbraw/zinc/48/61/40/568486140.db2.gz	GJSCRMWQTNLYFD-UHFFFAOYSA-N	0	0	423.429	2.499	50	5		HEBARN
CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC(c3nnc4ccccn43)CC2)s1	ZINC000095455263	568616652	/nfs/dbraw/zinc/61/66/52/568616652.db2.gz	NEQXZHKZWAYTQP-UHFFFAOYSA-N	0	0	407.477	2.487	50	5		HEBARN
CCOC(=O)c1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000025022046	568724013	/nfs/dbraw/zinc/72/40/13/568724013.db2.gz	YUKQHSQZOPMROS-UHFFFAOYSA-N	0	0	413.430	2.499	50	5		HEBARN
O=C(c1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](CN2CCN(c3ccccc3)CC2)C1	ZINC000034685946	568733731	/nfs/dbraw/zinc/73/37/31/568733731.db2.gz	KWYUKEIVYYDWTP-NRFANRHFSA-N	0	0	410.474	2.258	50	5		HEBARN
O=[N+]([O-])c1cccc([C@@H]2NC(=S)N3[C@@H](c4cccc([N+](=O)[O-])c4)NC(=S)N23)c1	ZINC000096562191	568760291	/nfs/dbraw/zinc/76/02/91/568760291.db2.gz	GTPYHFNZNLIXFE-OKILXGFUSA-N	0	0	416.444	2.496	50	5		HEBARN
Cc1nn(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(C)c1[N+](=O)[O-]	ZINC000025286816	568761829	/nfs/dbraw/zinc/76/18/29/568761829.db2.gz	ZYNSEBCHMCAZEX-UHFFFAOYSA-N	0	0	413.887	2.026	50	5		HEBARN
COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000001107025	568768623	/nfs/dbraw/zinc/76/86/23/568768623.db2.gz	RXHOHSRGXFHEMQ-ZROIWOOFSA-N	0	0	401.400	2.428	50	5		HEBARN
C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)Cn3cnc([N+](=O)[O-])c3)cc2)C1	ZINC000025451858	568769996	/nfs/dbraw/zinc/76/99/96/568769996.db2.gz	VSOASVVHGUGPHS-OKILXGFUSA-N	0	0	421.479	2.097	50	5		HEBARN
C[C@@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000001151589	568774061	/nfs/dbraw/zinc/77/40/61/568774061.db2.gz	FGGKOIVZGWEJDS-JTQLQIEISA-N	0	0	400.318	2.145	50	5		HEBARN
C[C@@H]1CCCN(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)C1	ZINC000027967917	568774509	/nfs/dbraw/zinc/77/45/09/568774509.db2.gz	CBGULMHTGKQJMO-OAHLLOKOSA-N	0	0	419.507	2.242	50	5		HEBARN
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H]1c1ccccc1	ZINC000225742490	568780397	/nfs/dbraw/zinc/78/03/97/568780397.db2.gz	DKPPLRXARONROZ-JKSUJKDBSA-N	0	0	415.450	2.311	50	5		HEBARN
COC(=O)c1cc(NC(=O)CC(=O)c2ccc([N+](=O)[O-])cc2)cc(C(=O)OC)c1	ZINC000002563275	568783815	/nfs/dbraw/zinc/78/38/15/568783815.db2.gz	YHEJTPZMBSLNGW-UHFFFAOYSA-N	0	0	400.343	2.380	50	5		HEBARN
C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	ZINC000002617013	568785695	/nfs/dbraw/zinc/78/56/95/568785695.db2.gz	WIGSHJHQONPKGV-LBPRGKRZSA-N	0	0	418.427	2.133	50	5		HEBARN
COC(=O)c1cc(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)cc(C(=O)OC)c1	ZINC000002932610	568818314	/nfs/dbraw/zinc/81/83/14/568818314.db2.gz	OSHXJKHRFBVUOE-UHFFFAOYSA-N	0	0	416.342	2.207	50	5		HEBARN
O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCCO)Nc1ccc(F)c(F)c1F	ZINC000005849214	568825652	/nfs/dbraw/zinc/82/56/52/568825652.db2.gz	DLQJEVYOPSBIKJ-UHFFFAOYSA-N	0	0	413.308	2.212	50	5		HEBARN
CS(=O)(=O)c1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c([N+](=O)[O-])c1	ZINC000057396016	568831594	/nfs/dbraw/zinc/83/15/94/568831594.db2.gz	UCOTVONWVDPXKF-UHFFFAOYSA-N	0	0	419.459	2.049	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1n[nH]c(=O)n1Cc1ccccc1	ZINC000012577320	568862593	/nfs/dbraw/zinc/86/25/93/568862593.db2.gz	WMVGUWQMBFOPQD-UHFFFAOYSA-N	0	0	415.431	2.267	50	5		HEBARN
CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)n1	ZINC000003253984	568868340	/nfs/dbraw/zinc/86/83/40/568868340.db2.gz	TVJLVXGMEUYTCC-UHFFFAOYSA-N	0	0	424.460	2.292	50	5		HEBARN
O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000003337887	568883050	/nfs/dbraw/zinc/88/30/50/568883050.db2.gz	NVFLCTYHASMPBJ-HXUWFJFHSA-N	0	0	411.370	2.191	50	5		HEBARN
Cc1nn(CC(=O)OCc2cc(=O)n3c4ccccc4sc3n2)c(C)c1[N+](=O)[O-]	ZINC000003426812	568900582	/nfs/dbraw/zinc/90/05/82/568900582.db2.gz	VXMKJIUFTCPWDB-UHFFFAOYSA-N	0	0	413.415	2.374	50	5		HEBARN
Cc1cc(C(=O)N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)ccc1[N+](=O)[O-]	ZINC000058310597	568910211	/nfs/dbraw/zinc/91/02/11/568910211.db2.gz	ASMOWHUGIVRBPD-UHFFFAOYSA-N	0	0	407.430	2.098	50	5		HEBARN
COC(=O)[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)c1cc(F)ccc1F	ZINC000058316799	568910972	/nfs/dbraw/zinc/91/09/72/568910972.db2.gz	JTGFYYSFFJQIRC-OAHLLOKOSA-N	0	0	416.358	2.074	50	5		HEBARN
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)s1	ZINC000012771318	568952041	/nfs/dbraw/zinc/95/20/41/568952041.db2.gz	RGETVEHKEJFZDA-UHFFFAOYSA-N	0	0	409.489	2.420	50	5		HEBARN
COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C[C@H](NC(C)=O)c1ccccc1	ZINC000004220369	568952290	/nfs/dbraw/zinc/95/22/90/568952290.db2.gz	XPFLOKFPFOYIJG-KRWDZBQOSA-N	0	0	415.402	2.353	50	5		HEBARN
Cc1c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cccc1[N+](=O)[O-]	ZINC000008269940	568986271	/nfs/dbraw/zinc/98/62/71/568986271.db2.gz	CBVDPMHQCDUUCI-UHFFFAOYSA-N	0	0	405.432	2.176	50	5		HEBARN
Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-]	ZINC000012864257	569011998	/nfs/dbraw/zinc/01/19/98/569011998.db2.gz	PMFSNFVYGAGISF-UHFFFAOYSA-N	0	0	406.416	2.477	50	5		HEBARN
Cc1ccc(N2C[C@@H](C(=O)NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1F	ZINC000012918808	569022764	/nfs/dbraw/zinc/02/27/64/569022764.db2.gz	VKRHTOIYMKUYQZ-KBXCAEBGSA-N	0	0	401.394	2.245	50	5		HEBARN
O=C(NCc1ccccc1)C1CCN(c2nc3ccccn3c(=O)c2[N+](=O)[O-])CC1	ZINC000012977904	569042370	/nfs/dbraw/zinc/04/23/70/569042370.db2.gz	VWNHMNCJQDLHKT-UHFFFAOYSA-N	0	0	407.430	2.136	50	5		HEBARN
CC(C)NS(=O)(=O)c1ccc(Sc2n[nH]c([C@@H]3CCCO3)n2)c([N+](=O)[O-])c1	ZINC000012980274	569042723	/nfs/dbraw/zinc/04/27/23/569042723.db2.gz	CRWZGXPCGUJVOR-LBPRGKRZSA-N	0	0	413.481	2.402	50	5		HEBARN
O=C(/C=C\c1cccs1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000035685009	569050102	/nfs/dbraw/zinc/05/01/02/569050102.db2.gz	IPJBNNPHBCGHME-SREVYHEPSA-N	0	0	407.473	2.203	50	5		HEBARN
CC(=O)NC(=Cc1ccc2c(c1)OCO2)C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001757109	569052069	/nfs/dbraw/zinc/05/20/69/569052069.db2.gz	MGQTZMINWGBHIB-LZYBPNLTSA-N	0	0	412.354	2.227	50	5		HEBARN
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000001774447	569052370	/nfs/dbraw/zinc/05/23/70/569052370.db2.gz	HNXNJEUONJUPCC-KRWDZBQOSA-N	0	0	412.358	2.498	50	5	biogenic	HEBARN
CN(Cc1ccccc1F)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000006911132	569180807	/nfs/dbraw/zinc/18/08/07/569180807.db2.gz	JTAYTJYNIYEJNM-UHFFFAOYSA-N	0	0	409.439	2.391	50	5		HEBARN
COC(=O)COC(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1	ZINC000013159170	569211662	/nfs/dbraw/zinc/21/16/62/569211662.db2.gz	OQEPRZXWGGCJAP-UHFFFAOYSA-N	0	0	409.372	2.001	50	5		HEBARN
COC(=O)C[C@@]1(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCCOC1	ZINC000170598011	569242244	/nfs/dbraw/zinc/24/22/44/569242244.db2.gz	ANWSPFARMSHMMM-INIZCTEOSA-N	0	0	415.240	2.128	50	5		HEBARN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1OCCOc1ccccc1	ZINC000089845797	569267145	/nfs/dbraw/zinc/26/71/45/569267145.db2.gz	ZIBXFOHNLSNOTE-UHFFFAOYSA-N	0	0	408.432	2.074	50	5		HEBARN
COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(OC)c2c(c1)OCCO2	ZINC000017184547	569276362	/nfs/dbraw/zinc/27/63/62/569276362.db2.gz	GOQLZYPTOTYBHB-UHFFFAOYSA-N	0	0	418.358	2.179	50	5		HEBARN
O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccn(Cc2c(F)c(F)c(F)c(F)c2F)n1	ZINC000002112500	569283984	/nfs/dbraw/zinc/28/39/84/569283984.db2.gz	PFNHAIWKESGGGR-UHFFFAOYSA-N	0	0	416.266	2.370	50	5		HEBARN
O=C1C[C@H](Sc2nnnn2-c2ccccc2)C(=O)N1c1ccc(F)c([N+](=O)[O-])c1	ZINC000002202233	569295028	/nfs/dbraw/zinc/29/50/28/569295028.db2.gz	LXIDWEYMBLLXEF-AWEZNQCLSA-N	0	0	414.378	2.134	50	5		HEBARN
CNc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCCC3)CC2)cc1[N+](=O)[O-]	ZINC000007609014	569295344	/nfs/dbraw/zinc/29/53/44/569295344.db2.gz	HPEIDDRVMVNTAH-UHFFFAOYSA-N	0	0	424.523	2.486	50	5		HEBARN
CCCCSc1nnc(NC(=O)COn2nnc3ccc([N+](=O)[O-])cc32)s1	ZINC000027521418	569329213	/nfs/dbraw/zinc/32/92/13/569329213.db2.gz	UVGUTZZVQVBOOE-UHFFFAOYSA-N	0	0	409.453	2.151	50	5		HEBARN
CS(=O)(=O)CCOc1cccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1	ZINC000253630010	569383328	/nfs/dbraw/zinc/38/33/28/569383328.db2.gz	VCKJNPYRAREKNG-UHFFFAOYSA-N	0	0	404.404	2.147	50	5		HEBARN
O=C(C1=C2C(O)N(c3ccccc3)C(=O)[C@H]2[C@H]2C=CC=NN12)c1cccc([N+](=O)[O-])c1	ZINC000009318532	569392233	/nfs/dbraw/zinc/39/22/33/569392233.db2.gz	JOOSAWWFWJAWFC-HCXYKTFWSA-N	0	0	416.393	2.192	50	5		HEBARN
Cn1ccnc1[C@@H](Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccccc1F	ZINC000012627319	569402169	/nfs/dbraw/zinc/40/21/69/569402169.db2.gz	MCXWWGUHTYDMIO-INIZCTEOSA-N	0	0	405.411	2.316	50	5		HEBARN
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000012760522	569403205	/nfs/dbraw/zinc/40/32/05/569403205.db2.gz	WKHWUBNREROWSL-UHFFFAOYSA-N	0	0	407.430	2.444	50	5		HEBARN
COc1cccc(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1OC	ZINC000019567986	569423473	/nfs/dbraw/zinc/42/34/73/569423473.db2.gz	PGHGYXNRPVEPSW-UHFFFAOYSA-N	0	0	421.475	2.119	50	5		HEBARN
CC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)C(=O)N1CCCC1	ZINC000079063857	569426459	/nfs/dbraw/zinc/42/64/59/569426459.db2.gz	NSVGCHXRIMSATB-SFHVURJKSA-N	0	0	424.523	2.438	50	5		HEBARN
COC[C@](C)(CCO)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-]	ZINC000079099214	569427413	/nfs/dbraw/zinc/42/74/13/569427413.db2.gz	IHEFLJSVFKVKHE-KDOFPFPSSA-N	0	0	415.512	2.215	50	5		HEBARN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1CC(n2ccnc2)C1	ZINC000079102839	569427455	/nfs/dbraw/zinc/42/74/55/569427455.db2.gz	UWBWQUJXWJKMTB-UHFFFAOYSA-N	0	0	405.480	2.417	50	5		HEBARN
O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000019848717	569431025	/nfs/dbraw/zinc/43/10/25/569431025.db2.gz	ZWDAAUDAUHQEJE-UHFFFAOYSA-N	0	0	414.374	2.190	50	5		HEBARN
COc1ccc(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1OC	ZINC000019889984	569433193	/nfs/dbraw/zinc/43/31/93/569433193.db2.gz	RJXZCFHDZSRURT-UHFFFAOYSA-N	0	0	421.475	2.119	50	5		HEBARN
COC(=O)C1=C(C(=O)OC)[C@@H](c2cccc([N+](=O)[O-])c2)c2sc(=O)[nH]c2S1	ZINC000009428424	571258067	/nfs/dbraw/zinc/25/80/67/571258067.db2.gz	MSUIXAOPKQHUDR-SECBINFHSA-N	0	0	408.413	2.182	50	5		HEBARN
COc1ccc(CCNC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1OC	ZINC000004881500	132291585	/nfs/dbraw/zinc/29/15/85/132291585.db2.gz	ZVQPFHFDUZTWCT-UHFFFAOYSA-N	0	0	415.446	2.421	50	5		HEBARN
O=C(CN1C[C@H](c2ccccc2)CC1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000004885682	132291730	/nfs/dbraw/zinc/29/17/30/132291730.db2.gz	PDKUPMJWSUFJOF-GOSISDBHSA-N	0	0	408.458	2.260	50	5		HEBARN
CNS(=O)(=O)c1ccc(N2CCC(C(=O)Nc3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000007366774	132324203	/nfs/dbraw/zinc/32/42/03/132324203.db2.gz	LVEXDAMTKYYYHR-UHFFFAOYSA-N	0	0	418.475	2.358	50	5		HEBARN
COC(=O)c1ccc(N2CCOCC2)c(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1	ZINC000007389288	132324307	/nfs/dbraw/zinc/32/43/07/132324307.db2.gz	GRBZIHALLNYUPZ-UHFFFAOYSA-N	0	0	415.402	2.236	50	5		HEBARN
Cc1cc([N+](=O)[O-])ccc1N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000009891927	132343906	/nfs/dbraw/zinc/34/39/06/132343906.db2.gz	MKHOLBBTIVNGOE-UHFFFAOYSA-N	0	0	406.420	2.322	50	5		HEBARN
Cc1ccc(CNC(=O)NCC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1	ZINC000011240017	132347996	/nfs/dbraw/zinc/34/79/96/132347996.db2.gz	RQCTVHDKDKXZTJ-UHFFFAOYSA-N	0	0	411.462	2.051	50	5		HEBARN
O=c1cc(CN2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)nc2ccccn12	ZINC000012527450	132361876	/nfs/dbraw/zinc/36/18/76/132361876.db2.gz	GLLBHPJSYUKLQI-UHFFFAOYSA-N	0	0	416.441	2.473	50	5		HEBARN
NC(=O)c1ccc(N2CCC(C(=O)N3CCc4ccccc4C3)CC2)c([N+](=O)[O-])c1	ZINC000012545884	132362845	/nfs/dbraw/zinc/36/28/45/132362845.db2.gz	QSWILIMPXVRWNI-UHFFFAOYSA-N	0	0	408.458	2.495	50	5		HEBARN
CS(=O)(=O)c1ccc(N2CCC[C@H](c3nnc4ccccn43)C2)c([N+](=O)[O-])c1	ZINC000018175031	132465980	/nfs/dbraw/zinc/46/59/80/132465980.db2.gz	SFUOGEZIRYLLIC-ZDUSSCGKSA-N	0	0	401.448	2.425	50	5		HEBARN
CC(C)[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O[C@@H](C)C(=O)NC1CC1	ZINC000032910754	519798250	/nfs/dbraw/zinc/79/82/50/519798250.db2.gz	OTPFNDIDSBUOAT-ZUZCIYMTSA-N	0	0	411.842	2.213	50	5		HEBARN
COC[C@H](C)NS(=O)(=O)c1ccc(Nc2ccc(N(C)C)nc2)c([N+](=O)[O-])c1	ZINC000032899478	522629623	/nfs/dbraw/zinc/62/96/23/522629623.db2.gz	RASDRKKIDPJWIH-LBPRGKRZSA-N	0	0	409.468	2.113	50	5		HEBARN
Cc1c(Cl)cc(S(=O)(=O)NC2CCN(C(=O)C3CC3)CC2)cc1[N+](=O)[O-]	ZINC000032909233	525748694	/nfs/dbraw/zinc/74/86/94/525748694.db2.gz	RFXDFQWWTVTTRO-UHFFFAOYSA-N	0	0	401.872	2.236	50	5		HEBARN
C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(Cc2cn3ccccc3n2)CC1	ZINC000032853691	526168209	/nfs/dbraw/zinc/16/82/09/526168209.db2.gz	RICAXNLGWWYCNG-MRXNPFEDSA-N	0	0	408.462	2.387	50	5		HEBARN
O=C(NCc1ccc(-n2cccn2)nc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000032802629	526649924	/nfs/dbraw/zinc/64/99/24/526649924.db2.gz	SWHHGYLHXWKBEO-UHFFFAOYSA-N	0	0	407.434	2.207	50	5		HEBARN
Cc1nc(CN2CCN(CC(=O)N3CCCc4cc([N+](=O)[O-])ccc43)CC2)cs1	ZINC000032761125	526865375	/nfs/dbraw/zinc/86/53/75/526865375.db2.gz	OMFWWYCAEFSBMR-UHFFFAOYSA-N	0	0	415.519	2.457	50	5		HEBARN
CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(C)c(NS(C)(=O)=O)c1	ZINC000072289370	558722819	/nfs/dbraw/zinc/72/28/19/558722819.db2.gz	UABOAFWLSWLWPI-ZDUSSCGKSA-N	0	0	424.483	2.146	50	5		HEBARN
O=C1CCC(=O)N1CN1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1	ZINC000022079278	558990058	/nfs/dbraw/zinc/99/00/58/558990058.db2.gz	CHZAHMZOTAGJLN-UHFFFAOYSA-N	0	0	413.434	2.028	50	5		HEBARN
COc1ccc(NC(=S)N[C@H](NC=O)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1	ZINC000004774801	559056840	/nfs/dbraw/zinc/05/68/40/559056840.db2.gz	QGVBHJFCMHLXPH-VIFPVBQESA-N	0	0	401.659	2.332	50	5		HEBARN
O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000100079880	559125723	/nfs/dbraw/zinc/12/57/23/559125723.db2.gz	RRYPLOWULZMVOB-UHFFFAOYSA-N	0	0	401.335	2.374	50	5		HEBARN
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000024068294	559189511	/nfs/dbraw/zinc/18/95/11/559189511.db2.gz	DBVQSCJPQBIGNC-INIZCTEOSA-N	0	0	420.491	2.348	50	5		HEBARN
COc1ccccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000004889925	559198009	/nfs/dbraw/zinc/19/80/09/559198009.db2.gz	SAWCWCHJMASHNM-UHFFFAOYSA-N	0	0	415.402	2.236	50	5		HEBARN
CCn1c(=N)c(C(=O)NCc2ccc(OC)cc2)cc2c1nc1ccccn1c2=O	ZINC000100756514	559263526	/nfs/dbraw/zinc/26/35/26/559263526.db2.gz	GXLNNMQTJJXBET-UHFFFAOYSA-N	0	0	403.442	2.087	50	5	biogenic	HEBARN
COc1ccc(C(=O)O[C@H](C(=O)N2CCOCC2)c2ccccc2)cc1[N+](=O)[O-]	ZINC000005466958	560592212	/nfs/dbraw/zinc/59/22/12/560592212.db2.gz	GRCULDRIWSWOJB-SFHVURJKSA-N	0	0	400.387	2.360	50	5		HEBARN
CC(C)[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O[C@@H](C)C(=O)NC1CC1	ZINC000005231431	560625415	/nfs/dbraw/zinc/62/54/15/560625415.db2.gz	OTPFNDIDSBUOAT-BONVTDFDSA-N	0	0	411.842	2.213	50	5		HEBARN
CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)C3CCC3)CC2)c([N+](=O)[O-])c1	ZINC000018040586	560774305	/nfs/dbraw/zinc/77/43/05/560774305.db2.gz	YJRIVLMEMJUGNV-UHFFFAOYSA-N	0	0	424.523	2.074	50	5		HEBARN
Cc1cccn2c1nc1c(cc(C(=O)NC(C)C)c(=N)n1Cc1ccncc1)c2=O	ZINC000101116339	560786921	/nfs/dbraw/zinc/78/69/21/560786921.db2.gz	HKZHFCQAUFSCMS-UHFFFAOYSA-N	0	0	402.458	2.019	50	5	aggregator	HEBARN
COc1ccc(NC(=O)[C@@H](C)N2CCN(C(=O)c3cccs3)CC2)c([N+](=O)[O-])c1	ZINC000024671904	568456478	/nfs/dbraw/zinc/45/64/78/568456478.db2.gz	HIGVMKYVJRLPPS-CYBMUJFWSA-N	0	0	418.475	2.450	50	5		HEBARN
O=C(COC(=O)CN1CCCCCC1=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000005781926	568718758	/nfs/dbraw/zinc/71/87/58/568718758.db2.gz	WPQNENITUWSEQB-UHFFFAOYSA-N	0	0	417.340	2.498	50	5		HEBARN
COc1ccc(NC(=O)CN2CCN(CCOc3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000018934889	568742914	/nfs/dbraw/zinc/74/29/14/568742914.db2.gz	JNVJKHQXVJSOJG-UHFFFAOYSA-N	0	0	414.462	2.239	50	5		HEBARN
COc1cc(C(=O)NCC(=O)OCc2ccccc2[N+](=O)[O-])cc(OC)c1OC	ZINC000025114598	568750086	/nfs/dbraw/zinc/75/00/86/568750086.db2.gz	ZVIKUCHWDQHZFE-UHFFFAOYSA-N	0	0	404.375	2.094	50	5		HEBARN
CN1C(=O)c2ccc(NC(=O)COC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2C1=O	ZINC000025374020	568764188	/nfs/dbraw/zinc/76/41/88/568764188.db2.gz	NGINTEKAFDKSGB-UHFFFAOYSA-N	0	0	417.761	2.270	50	5		HEBARN
CN1C(=O)c2ccc(NC(=O)COC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2C1=O	ZINC000025376213	568764448	/nfs/dbraw/zinc/76/44/48/568764448.db2.gz	MXZRUQQAAFKMAO-UHFFFAOYSA-N	0	0	417.761	2.270	50	5		HEBARN
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)Cn3cnc([N+](=O)[O-])c3)cc2)C1	ZINC000025451854	568769910	/nfs/dbraw/zinc/76/99/10/568769910.db2.gz	VSOASVVHGUGPHS-ZIAGYGMSSA-N	0	0	421.479	2.097	50	5		HEBARN
COc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(OC)c1	ZINC000001138640	568773555	/nfs/dbraw/zinc/77/35/55/568773555.db2.gz	HJDACOXAESUMJA-UHFFFAOYSA-N	0	0	409.420	2.017	50	5		HEBARN
CC(=O)c1ccc(N2CCN([C@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)CC2)cc1	ZINC000215726085	568795162	/nfs/dbraw/zinc/79/51/62/568795162.db2.gz	ACFIBFOPILJDOA-FQEVSTJZSA-N	0	0	422.441	2.252	50	5		HEBARN
CCCN1C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C(=O)NC1=S	ZINC000230042029	568804334	/nfs/dbraw/zinc/80/43/34/568804334.db2.gz	AIXQXEUJEZHUCT-KXBFYZLASA-N	0	0	402.476	2.150	50	5		HEBARN
Cc1nn(CCC(=O)Nn2c(C)nc3sc4c(c3c2=O)CCCC4)cc1[N+](=O)[O-]	ZINC000002781615	568808456	/nfs/dbraw/zinc/80/84/56/568808456.db2.gz	UBJGNEXJVZGFPW-UHFFFAOYSA-N	0	0	416.463	2.219	50	5		HEBARN
COC(=O)c1sc2ncn3nc([C@H](C)n4cc([N+](=O)[O-])c(OC)n4)nc3c2c1C	ZINC000002789978	568809169	/nfs/dbraw/zinc/80/91/69/568809169.db2.gz	OJZNAYGVYJNKTN-QMMMGPOBSA-N	0	0	417.407	2.157	50	5		HEBARN
Cc1nn(Cc2ccc(-c3nc4c5cnn(C)c5ncn4n3)cc2)c(C)c1[N+](=O)[O-]	ZINC000002800267	568809702	/nfs/dbraw/zinc/80/97/02/568809702.db2.gz	LSRUGDWZMXIDJX-UHFFFAOYSA-N	0	0	403.406	2.448	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cccc(C(C)=O)c1)S(C)(=O)=O	ZINC000002877888	568813908	/nfs/dbraw/zinc/81/39/08/568813908.db2.gz	IOJACFWKIFKTPW-UHFFFAOYSA-N	0	0	421.431	2.211	50	5		HEBARN
Cc1cc(=O)oc2cc(OC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)ccc12	ZINC000001195716	568822689	/nfs/dbraw/zinc/82/26/89/568822689.db2.gz	VZCLSGFYINCQHU-UHFFFAOYSA-N	0	0	408.322	2.211	50	5		HEBARN
CCOc1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c([N+](=O)[O-])c1	ZINC000005869522	568827191	/nfs/dbraw/zinc/82/71/91/568827191.db2.gz	GOASMIITLQNJIE-HXPMCKFVSA-N	0	0	404.423	2.433	50	5		HEBARN
COc1ccc(OC)c2c1CN(Cn1cnc(-c3ccc([N+](=O)[O-])cc3)n1)C[C@H]2O	ZINC000029543594	568827794	/nfs/dbraw/zinc/82/77/94/568827794.db2.gz	LDVQRGCUVLSDLS-MRXNPFEDSA-N	0	0	411.418	2.377	50	5		HEBARN
CCOc1ccc(N2C[C@H](C(=O)NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1	ZINC000029697141	568828706	/nfs/dbraw/zinc/82/87/06/568828706.db2.gz	LHRDXDHNPKJQBA-DNVCBOLYSA-N	0	0	413.430	2.196	50	5		HEBARN
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1nnc(-c2ccccc2)s1	ZINC000002975284	568831595	/nfs/dbraw/zinc/83/15/95/568831595.db2.gz	BSLKFANYIABCTO-UHFFFAOYSA-N	0	0	409.383	2.348	50	5		HEBARN
COc1cc(CC(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc(OC)c1OC	ZINC000003247290	568867295	/nfs/dbraw/zinc/86/72/95/568867295.db2.gz	NZMGRMTXGBGMFN-UHFFFAOYSA-N	0	0	422.365	2.484	50	5		HEBARN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1SC[C@H](O)c1ccccc1	ZINC000058046497	568880290	/nfs/dbraw/zinc/88/02/90/568880290.db2.gz	NOZSRMROSUHAHN-KRWDZBQOSA-N	0	0	424.500	2.441	50	5		HEBARN
Cc1c(NC(=O)COC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cccc1[N+](=O)[O-]	ZINC000003529409	568912687	/nfs/dbraw/zinc/91/26/87/568912687.db2.gz	AATJBFMQKVWNFW-UHFFFAOYSA-N	0	0	422.397	2.304	50	5		HEBARN
COc1cc(OC)cc(C(=O)N2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)c1	ZINC000025906206	568935197	/nfs/dbraw/zinc/93/51/97/568935197.db2.gz	GLFOPYCXTGCIQC-UHFFFAOYSA-N	0	0	413.430	2.139	50	5		HEBARN
CNC(=O)CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1C(=O)NC	ZINC000012776423	568954960	/nfs/dbraw/zinc/95/49/60/568954960.db2.gz	RYZLCSVSYOCIJI-UHFFFAOYSA-N	0	0	404.810	2.001	50	5		HEBARN
NC(=O)c1nc(-c2ccc([N+](=O)[O-])cc2)nc2c1[nH]c(=O)n2-c1ccc(Cl)cc1	ZINC000004274083	568957789	/nfs/dbraw/zinc/95/77/89/568957789.db2.gz	RGKCFGKYVDPEJC-UHFFFAOYSA-N	0	0	410.777	2.436	50	5		HEBARN
CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000012824442	569007988	/nfs/dbraw/zinc/00/79/88/569007988.db2.gz	ZULQCPNSUAMOKE-NSHDSACASA-N	0	0	409.420	2.047	50	5		HEBARN
CC(C)NS(=O)(=O)c1ccc(Sc2n[nH]c([C@H]3CCCO3)n2)c([N+](=O)[O-])c1	ZINC000012980276	569042706	/nfs/dbraw/zinc/04/27/06/569042706.db2.gz	CRWZGXPCGUJVOR-GFCCVEGCSA-N	0	0	413.481	2.402	50	5		HEBARN
COC(=O)c1cc(C(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)cc([N+](=O)[O-])c1	ZINC000026718823	569053812	/nfs/dbraw/zinc/05/38/12/569053812.db2.gz	XCLRGIUOKUIJRG-UHFFFAOYSA-N	0	0	417.761	2.400	50	5		HEBARN
C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000016482216	569053842	/nfs/dbraw/zinc/05/38/42/569053842.db2.gz	VGPPPNCBVVAIAO-HNNXBMFYSA-N	0	0	412.446	2.468	50	5		HEBARN
COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN1CCCc2c([N+](=O)[O-])cccc21	ZINC000089400564	569059335	/nfs/dbraw/zinc/05/93/35/569059335.db2.gz	MMANFTGVMQAJOQ-HXUWFJFHSA-N	0	0	409.442	2.474	50	5		HEBARN
COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN1CCCc2c([N+](=O)[O-])cccc21	ZINC000089400560	569059361	/nfs/dbraw/zinc/05/93/61/569059361.db2.gz	MMANFTGVMQAJOQ-FQEVSTJZSA-N	0	0	409.442	2.474	50	5		HEBARN
COCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)C[C@@H]12	ZINC000169681768	569127813	/nfs/dbraw/zinc/12/78/13/569127813.db2.gz	VEQBEBYBCABKEO-FPOVZHCZSA-N	0	0	410.474	2.225	50	5		HEBARN
CN(Cc1cccc(F)c1)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-]	ZINC000036448969	569184202	/nfs/dbraw/zinc/18/42/02/569184202.db2.gz	KPFDHKZSBWYZRC-UHFFFAOYSA-N	0	0	422.482	2.306	50	5		HEBARN
Cc1c(C(=O)OCC(=O)N(CCC(N)=O)c2ccc(F)cc2)cccc1[N+](=O)[O-]	ZINC000016750504	569262358	/nfs/dbraw/zinc/26/23/58/569262358.db2.gz	UUINFBRDMMWRMN-UHFFFAOYSA-N	0	0	403.366	2.108	50	5		HEBARN
Cc1sc(NC(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)c(C(N)=O)c1C	ZINC000002084485	569279633	/nfs/dbraw/zinc/27/96/33/569279633.db2.gz	CBKNQYBFDULCOC-UHFFFAOYSA-N	0	0	416.257	2.278	50	5		HEBARN
CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000055226446	569394983	/nfs/dbraw/zinc/39/49/83/569394983.db2.gz	BVCQXFMQEMJISI-GOSISDBHSA-N	0	0	402.451	2.498	50	5		HEBARN
C[C@@H]1CN(C(=O)c2cc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc([N+](=O)[O-])c2)C[C@@H](C)O1	ZINC000012285306	569399953	/nfs/dbraw/zinc/39/99/53/569399953.db2.gz	PQXIBZQSJUPPAD-TUVASFSCSA-N	0	0	405.451	2.094	50	5		HEBARN
CCOc1cccc(N2C(=O)C[C@H](N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)c1	ZINC000018284923	569413978	/nfs/dbraw/zinc/41/39/78/569413978.db2.gz	JDIFBWIOEDFCGI-FQEVSTJZSA-N	0	0	424.457	2.448	50	5		HEBARN
O=C1C[C@H](CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CN1CCc1ccccc1	ZINC000079099850	569427336	/nfs/dbraw/zinc/42/73/36/569427336.db2.gz	QLESZECVGPMBNE-GOSISDBHSA-N	0	0	417.487	2.105	50	5		HEBARN
COc1ccc([C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)N2CCOCC2)cc1	ZINC000019897870	569433135	/nfs/dbraw/zinc/43/31/35/569433135.db2.gz	ASUXZXZJCMGQLN-HXUWFJFHSA-N	0	0	415.446	2.172	50	5		HEBARN
O=C(CSc1nnc(NC(=O)c2ccccc2[N+](=O)[O-])s1)NC[C@H]1CCCO1	ZINC000008821968	571121565	/nfs/dbraw/zinc/12/15/65/571121565.db2.gz	QXWCEPMXPJPRIJ-SNVBAGLBSA-N	0	0	423.476	2.086	50	5		HEBARN
O=C(NCCNc1ccccc1[N+](=O)[O-])C1CCN(C(=O)NCc2ccco2)CC1	ZINC000040131493	571183836	/nfs/dbraw/zinc/18/38/36/571183836.db2.gz	AZZWCVKMKHAHMC-UHFFFAOYSA-N	0	0	415.450	2.338	50	5		HEBARN
O=C(C1=C2C(O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCCN12)c1ccccc1	ZINC000009045233	571215417	/nfs/dbraw/zinc/21/54/17/571215417.db2.gz	WZBGXKYTPCROJF-MKXGPGLRSA-N	0	0	405.410	2.430	50	5		HEBARN
CCOC(=O)c1cc(C(=O)N2CSC[C@@H]2C(=O)NCCC(C)C)cc([N+](=O)[O-])c1	ZINC000069530024	571229014	/nfs/dbraw/zinc/22/90/14/571229014.db2.gz	YBTKMWHLDRRAEG-MRXNPFEDSA-N	0	0	423.491	2.449	50	5		HEBARN
CN(Cc1ccco1)C(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-]	ZINC000009544425	571267556	/nfs/dbraw/zinc/26/75/56/571267556.db2.gz	SCABYZPFXZFODD-UHFFFAOYSA-N	0	0	423.447	2.010	50	5		HEBARN
Cc1c(NC(=O)COC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C	ZINC000009561808	571268529	/nfs/dbraw/zinc/26/85/29/571268529.db2.gz	SOZLDHXPTWELCE-UHFFFAOYSA-N	0	0	424.413	2.497	50	5		HEBARN
C[C@@H](CCc1ccccc1)NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000009667722	571278318	/nfs/dbraw/zinc/27/83/18/571278318.db2.gz	UWPCREPRJSASJQ-HNNXBMFYSA-N	0	0	405.476	2.498	50	5		HEBARN
COC(=O)c1ccc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)nc1	ZINC000024938567	536611703	/nfs/dbraw/zinc/61/17/03/536611703.db2.gz	CCFSWYNRTDPCRL-UHFFFAOYSA-N	0	0	404.810	2.392	50	5		HEBARN
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1S(=O)(=O)c1ccccc1	ZINC000004083466	132270853	/nfs/dbraw/zinc/27/08/53/132270853.db2.gz	AAENPMQHDYNLBS-ZDUSSCGKSA-N	0	0	406.420	2.402	50	5		HEBARN
CCN1C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)N(C)C1=S	ZINC000004624652	132280604	/nfs/dbraw/zinc/28/06/04/132280604.db2.gz	BPKPJHLOCGKLCP-BEFAXECRSA-N	0	0	402.476	2.102	50	5		HEBARN
COC(=O)CCN(C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccn1	ZINC000005525228	132306543	/nfs/dbraw/zinc/30/65/43/132306543.db2.gz	NWIUVDUFFFLHFT-UHFFFAOYSA-N	0	0	414.418	2.036	50	5		HEBARN
NS(=O)(=O)c1ccc(N2CCC(C(=O)Nc3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000006822702	132318028	/nfs/dbraw/zinc/31/80/28/132318028.db2.gz	GRYNPPSTQPFNRO-UHFFFAOYSA-N	0	0	404.448	2.097	50	5		HEBARN
COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1	ZINC000007389529	132324477	/nfs/dbraw/zinc/32/44/77/132324477.db2.gz	FFWXAEAUQLYOAV-UHFFFAOYSA-N	0	0	415.402	2.479	50	5		HEBARN
COC(=O)c1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc([N+](=O)[O-])c1	ZINC000008426435	132330086	/nfs/dbraw/zinc/33/00/86/132330086.db2.gz	CSSHGFGYIUALFZ-UHFFFAOYSA-N	0	0	414.374	2.252	50	5		HEBARN
O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)Nc1ccc(Cl)cn1	ZINC000012539173	132362563	/nfs/dbraw/zinc/36/25/63/132362563.db2.gz	YDYLPKJLUVYSSA-UHFFFAOYSA-N	0	0	420.809	2.275	50	5		HEBARN
CCc1nnc(-n2ccc3nc4ccn(-c5ccc(OC)cc5)c(=O)c4cc3c2=O)[nH]1	ZINC000040399137	522122247	/nfs/dbraw/zinc/12/22/47/522122247.db2.gz	DEOCNWWGLVDQIZ-UHFFFAOYSA-N	0	0	414.425	2.379	50	5		HEBARN
CN1C(=O)N(C)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCc4ccccc4[C@@H]32)C1=O	ZINC000008914406	536320966	/nfs/dbraw/zinc/32/09/66/536320966.db2.gz	NJGXHXICUJQOTH-GOSISDBHSA-N	0	0	420.425	2.292	50	5		HEBARN
COc1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1	ZINC000006896857	536772826	/nfs/dbraw/zinc/77/28/26/536772826.db2.gz	AWDOIUFKASVQMP-UHFFFAOYSA-N	0	0	415.402	2.236	50	5		HEBARN
Cc1ccc(OCCN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1	ZINC000023754366	558574072	/nfs/dbraw/zinc/57/40/72/558574072.db2.gz	ODZNNILVYDQISJ-UHFFFAOYSA-N	0	0	405.476	2.289	50	5		HEBARN
Cc1ccccc1-n1ncc2c1ncn(CC(=O)Nc1cccc([N+](=O)[O-])c1)c2=O	ZINC000004479034	558601506	/nfs/dbraw/zinc/60/15/06/558601506.db2.gz	NBMVSRDNOLWZHY-UHFFFAOYSA-N	0	0	404.386	2.438	50	5		HEBARN
COC(=O)c1cc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc([N+](=O)[O-])c1	ZINC000032999986	558826543	/nfs/dbraw/zinc/82/65/43/558826543.db2.gz	KILXDRQSHBPXHC-INIZCTEOSA-N	0	0	419.459	2.246	50	5		HEBARN
COCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1	ZINC000013838763	558886047	/nfs/dbraw/zinc/88/60/47/558886047.db2.gz	RURMHMHJBJLQKQ-UHFFFAOYSA-N	0	0	423.447	2.171	50	5		HEBARN
O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c1	ZINC000023108120	559010848	/nfs/dbraw/zinc/01/08/48/559010848.db2.gz	XASRCMJLQARVGF-SFHVURJKSA-N	0	0	409.439	2.086	50	5		HEBARN
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCCOc2ccc3c(c2)OCO3)c1	ZINC000023143666	559020958	/nfs/dbraw/zinc/02/09/58/559020958.db2.gz	UEDZIJAASQUVRA-UHFFFAOYSA-N	0	0	400.796	2.334	50	5		HEBARN
C[C@@H](NC(=O)[C@@H](C)OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccccc1	ZINC000011672849	559171542	/nfs/dbraw/zinc/17/15/42/559171542.db2.gz	QPIFLSABHIZKMO-CHWSQXEVSA-N	0	0	420.443	2.421	50	5		HEBARN
Cc1ccc(C(=O)COC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc1[N+](=O)[O-]	ZINC000005040811	559235684	/nfs/dbraw/zinc/23/56/84/559235684.db2.gz	ZFFCTWUSUQEVTQ-RNODOKPDSA-N	0	0	417.418	2.130	50	5		HEBARN
Cc1ccc2nc3c(cc(C(=O)NC[C@H]4CCCO4)c(=N)n3C3CCCC3)c(=O)n2c1	ZINC000100627868	559245496	/nfs/dbraw/zinc/24/54/96/559245496.db2.gz	XBJXNBYASPPRTL-MRXNPFEDSA-N	0	0	421.501	2.461	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1NC(=S)N[C@H](NC=O)C(Cl)(Cl)Cl	ZINC000005119538	559247553	/nfs/dbraw/zinc/24/75/53/559247553.db2.gz	VFTHFVSZZWYAOY-VIFPVBQESA-N	0	0	401.659	2.332	50	5		HEBARN
CCOC(=O)c1cn(C2CC2)c2cc(N3CCN(C)CC3)c([N+](=O)[O-])cc2c1=O	ZINC000005332652	560566705	/nfs/dbraw/zinc/56/67/05/560566705.db2.gz	AUDOLQWMPSGSTM-UHFFFAOYSA-N	0	0	400.435	2.173	50	5		HEBARN
O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)Nc1ccc2c(c1)OCCO2	ZINC000005400827	560583864	/nfs/dbraw/zinc/58/38/64/560583864.db2.gz	BOPXCOIYMVKRQO-UHFFFAOYSA-N	0	0	408.370	2.228	50	5		HEBARN
CCN(CC(=O)NCc1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000005688211	560784044	/nfs/dbraw/zinc/78/40/44/560784044.db2.gz	FELHILUTPHPVOD-UHFFFAOYSA-N	0	0	409.439	2.280	50	5		HEBARN
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NC[C@@H]1CCCO1	ZINC000000839677	568501969	/nfs/dbraw/zinc/50/19/69/568501969.db2.gz	DPSXYTNWPKASEJ-KRWDZBQOSA-N	0	0	419.459	2.085	50	5		HEBARN
Cc1n[nH]cc1CCCNC(=O)[C@@H](C)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000095397410	568604588	/nfs/dbraw/zinc/60/45/88/568604588.db2.gz	IEVCEZDEWYSXMD-NSHDSACASA-N	0	0	407.858	2.395	50	5		HEBARN
COc1ccc([C@H]2N(C(C)=O)CCN2S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000095471431	568626728	/nfs/dbraw/zinc/62/67/28/568626728.db2.gz	SJSRVTJFSXZMIS-IBGZPJMESA-N	0	0	419.459	2.463	50	5		HEBARN
COc1ccc(-c2nc3n(n2)[C@@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)N3)cc1	ZINC000020717692	568640285	/nfs/dbraw/zinc/64/02/85/568640285.db2.gz	YVVHJZHJQYFDLJ-HNNXBMFYSA-N	0	0	408.374	2.384	50	5		HEBARN
C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000020857190	568644503	/nfs/dbraw/zinc/64/45/03/568644503.db2.gz	LJEYMQNAZGXVJX-HUUCEWRRSA-N	0	0	405.451	2.378	50	5		HEBARN
O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000021487222	568704115	/nfs/dbraw/zinc/70/41/15/568704115.db2.gz	QLQQNGYCZGTTTG-HNNXBMFYSA-N	0	0	406.420	2.368	50	5		HEBARN
COc1ccc(N2C(=S)N(c3ccc([N+](=O)[O-])cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000012421624	568721009	/nfs/dbraw/zinc/72/10/09/568721009.db2.gz	RCSJUGSZMPORPK-SJORKVTESA-N	0	0	419.484	2.381	50	5		HEBARN
CC[C@H](C)NC(=O)Cn1c2ccc(C)cc2c(=O)n(-c2cccc([N+](=O)[O-])c2)c1=O	ZINC000096318082	568727107	/nfs/dbraw/zinc/72/71/07/568727107.db2.gz	JDHRSSZEAZONPD-AWEZNQCLSA-N	0	0	410.430	2.284	50	5		HEBARN
O=C(COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccccc1Cl	ZINC000000941651	568753240	/nfs/dbraw/zinc/75/32/40/568753240.db2.gz	BCECMCKKMYRNKP-UHFFFAOYSA-N	0	0	417.761	2.026	50	5		HEBARN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(CN2CCOCC2)cc1	ZINC000022374413	568766978	/nfs/dbraw/zinc/76/69/78/568766978.db2.gz	CQAMGTCUYSGLMU-UHFFFAOYSA-N	0	0	405.476	2.214	50	5		HEBARN
CNc1ccc(C(=O)c2ccccc2C(=O)N2CCN(C(C)=O)CC2)cc1[N+](=O)[O-]	ZINC000028268013	568783705	/nfs/dbraw/zinc/78/37/05/568783705.db2.gz	FFDKDVKIDMJOHX-UHFFFAOYSA-N	0	0	410.430	2.172	50	5		HEBARN
Cn1ncc2c3nc(-c4cccc(Cn5cc(Cl)c([N+](=O)[O-])n5)c4)nn3cnc21	ZINC000002802425	568810732	/nfs/dbraw/zinc/81/07/32/568810732.db2.gz	KNQHECSQSVYRAA-UHFFFAOYSA-N	0	0	409.797	2.484	50	5		HEBARN
COc1cc(NC(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)cc([N+](=O)[O-])c1	ZINC000002807339	568810958	/nfs/dbraw/zinc/81/09/58/568810958.db2.gz	CKRGDNGXLJXIEB-UHFFFAOYSA-N	0	0	414.172	2.418	50	5		HEBARN
O=C(c1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000001175065	568818932	/nfs/dbraw/zinc/81/89/32/568818932.db2.gz	BNNNQSHGBIMTQX-UHFFFAOYSA-N	0	0	409.851	2.395	50	5		HEBARN
COc1c([N+](=O)[O-])cc(S(=O)(=O)C(F)(F)F)cc1S(=O)(=O)C(F)(F)F	ZINC000001170373	568821140	/nfs/dbraw/zinc/82/11/40/568821140.db2.gz	XRXKRMHXLVHHGL-UHFFFAOYSA-N	0	0	417.261	2.190	50	5		HEBARN
CC1CCN(C(=O)c2n[nH]c3c2CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC3)CC1	ZINC000034809666	568828277	/nfs/dbraw/zinc/82/82/77/568828277.db2.gz	NIWKMPDEIRWBCV-UHFFFAOYSA-N	0	0	411.462	2.317	50	5		HEBARN
COc1ccccc1CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1	ZINC000012562084	568858648	/nfs/dbraw/zinc/85/86/48/568858648.db2.gz	YACMDJBDXUBMQX-UHFFFAOYSA-N	0	0	407.448	2.236	50	5		HEBARN
O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc2ncccc21	ZINC000058161452	568894535	/nfs/dbraw/zinc/89/45/35/568894535.db2.gz	IQVPQOVPTAQFDU-UHFFFAOYSA-N	0	0	400.416	2.450	50	5		HEBARN
O=C(COC(=O)c1ccc(N2CCCC2)nn1)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000058223016	568901711	/nfs/dbraw/zinc/90/17/11/568901711.db2.gz	VOLOTSLYJGYHMW-UHFFFAOYSA-N	0	0	405.798	2.434	50	5		HEBARN
CC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)cc1	ZINC000025718692	568912366	/nfs/dbraw/zinc/91/23/66/568912366.db2.gz	GSZJUBKIUWKSIO-HXUWFJFHSA-N	0	0	422.441	2.252	50	5		HEBARN
CC(=O)c1ccc(N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)c([N+](=O)[O-])c1	ZINC000058492914	568921845	/nfs/dbraw/zinc/92/18/45/568921845.db2.gz	RRMXZLCGZKCQBA-UHFFFAOYSA-N	0	0	407.430	2.356	50	5		HEBARN
CCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2ccc(C)nc2[N+](=O)[O-])cc1	ZINC000006094679	569001008	/nfs/dbraw/zinc/00/10/08/569001008.db2.gz	OPQOYAOPFBOVCG-UHFFFAOYSA-N	0	0	422.463	2.346	50	5		HEBARN
O=[N+]([O-])c1cnn(CN2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c1	ZINC000012943082	569028773	/nfs/dbraw/zinc/02/87/73/569028773.db2.gz	CZFCZGMYRLCFCR-UHFFFAOYSA-N	0	0	420.278	2.062	50	5		HEBARN
C[C@H](OC(=O)[C@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)Nc1ccccc1	ZINC000012943533	569028808	/nfs/dbraw/zinc/02/88/08/569028808.db2.gz	CWDFUSRZVVVWHH-RYUDHWBXSA-N	0	0	411.370	2.150	50	5		HEBARN
CC(C)C[C@@H](CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1	ZINC000026304343	569031118	/nfs/dbraw/zinc/03/11/18/569031118.db2.gz	SMNODYMVXSISTC-FQEVSTJZSA-N	0	0	419.526	2.173	50	5		HEBARN
COc1ccc(N2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000006405543	569047023	/nfs/dbraw/zinc/04/70/23/569047023.db2.gz	DGRKMQNNMSVLLB-SJORKVTESA-N	0	0	403.416	2.216	50	5		HEBARN
O=C(c1ccc2c(c1)OCO2)N1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1	ZINC000026613231	569051314	/nfs/dbraw/zinc/05/13/14/569051314.db2.gz	FGPOUASVIZUHTL-UHFFFAOYSA-N	0	0	409.402	2.089	50	5		HEBARN
C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000016482214	569053847	/nfs/dbraw/zinc/05/38/47/569053847.db2.gz	VGPPPNCBVVAIAO-OAHLLOKOSA-N	0	0	412.446	2.468	50	5		HEBARN
CCCCn1c(N)c(N(CC)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(=O)[nH]c1=O	ZINC000006509463	569061945	/nfs/dbraw/zinc/06/19/45/569061945.db2.gz	XMWUINJAUBDHCU-UHFFFAOYSA-N	0	0	409.830	2.147	50	5		HEBARN
CN(Cc1cccs1)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-]	ZINC000036329824	569139352	/nfs/dbraw/zinc/13/93/52/569139352.db2.gz	CVUUJLDXKCULEB-UHFFFAOYSA-N	0	0	410.521	2.229	50	5		HEBARN
COc1ccc(OC)c(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCCO)c1	ZINC000006831470	569147700	/nfs/dbraw/zinc/14/77/00/569147700.db2.gz	HTSCHJJKXIOWFK-UHFFFAOYSA-N	0	0	404.375	2.056	50	5		HEBARN
O=C(c1cc(=O)[nH]c2ccccc21)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c([N+](=O)[O-])ccc12	ZINC000524731393	569212282	/nfs/dbraw/zinc/21/22/82/569212282.db2.gz	VTGWSACISDENLD-QWHCGFSZSA-N	0	0	406.398	2.270	50	5		HEBARN
COc1ccc(OCc2cccc(S(=O)(=O)N3CCOCC3)c2)c([N+](=O)[O-])c1	ZINC000007062922	569217078	/nfs/dbraw/zinc/21/70/78/569217078.db2.gz	JTVWKVQYNFVGIB-UHFFFAOYSA-N	0	0	408.432	2.203	50	5		HEBARN
Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)N1CCOCC1	ZINC000007265056	569230950	/nfs/dbraw/zinc/23/09/50/569230950.db2.gz	VOWMOJUHHCPLMG-UHFFFAOYSA-N	0	0	405.432	2.176	50	5		HEBARN
Cc1ccc(C(=O)NCCCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cn1	ZINC000007367638	569235581	/nfs/dbraw/zinc/23/55/81/569235581.db2.gz	FGOXXNOFMKGAAF-UHFFFAOYSA-N	0	0	411.462	2.448	50	5		HEBARN
O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1	ZINC000016753454	569262309	/nfs/dbraw/zinc/26/23/09/569262309.db2.gz	SLWOFWJMWJSQFM-MRXNPFEDSA-N	0	0	422.434	2.329	50	5		HEBARN
O=C(Nc1ncnc2c1ncn2CCCCO)OCCc1ccc([N+](=O)[O-])cc1	ZINC000002077973	569273248	/nfs/dbraw/zinc/27/32/48/569273248.db2.gz	BCJZEJLZNKEQCA-UHFFFAOYSA-N	0	0	400.395	2.298	50	5		HEBARN
O=C(c1ccc2c(c1)CCC2)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000007889250	569315267	/nfs/dbraw/zinc/31/52/67/569315267.db2.gz	JLCLCEACQJZBES-UHFFFAOYSA-N	0	0	415.471	2.230	50	5		HEBARN
Cc1cc([N+](=O)[O-])nn1CC(=O)Nn1c(=O)c2ccccc2nc1-c1ccccc1F	ZINC000027530992	569366357	/nfs/dbraw/zinc/36/63/57/569366357.db2.gz	XUNAFKOYSWUPSH-UHFFFAOYSA-N	0	0	422.376	2.386	50	5		HEBARN
CCNC(=O)c1ccccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000012137459	569399662	/nfs/dbraw/zinc/39/96/62/569399662.db2.gz	RIJLUONJYADGIS-UHFFFAOYSA-N	0	0	417.403	2.380	50	5		HEBARN
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1	ZINC000019890032	569433107	/nfs/dbraw/zinc/43/31/07/569433107.db2.gz	VSUGWKAUGOKQOF-UHFFFAOYSA-N	0	0	418.475	2.060	50	5		HEBARN
Cc1[nH]nc(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1[N+](=O)[O-]	ZINC000008661392	571099333	/nfs/dbraw/zinc/09/93/33/571099333.db2.gz	ZGDUNCVCEJPGSC-UHFFFAOYSA-N	0	0	402.436	2.155	50	5		HEBARN
CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000040114816	571172469	/nfs/dbraw/zinc/17/24/69/571172469.db2.gz	BESCTAVNROOUCL-QAPCUYQASA-N	0	0	424.523	2.311	50	5		HEBARN
C[C@@H]1CN(c2ccc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)cn2)C[C@H](C)O1	ZINC000040142668	571193310	/nfs/dbraw/zinc/19/33/10/571193310.db2.gz	ZOBXMNQVTUOGOZ-OKILXGFUSA-N	0	0	423.433	2.436	50	5		HEBARN
COc1ccccc1CCNS(=O)(=O)[C@H]1CON(C)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000245280818	571222626	/nfs/dbraw/zinc/22/26/26/571222626.db2.gz	UARRWJKMGPKKDW-OALUTQOASA-N	0	0	421.475	2.052	50	5		HEBARN
O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)Nc2ncnc3c2cnn3-c2ccccc2)cc1	ZINC000009513354	571264563	/nfs/dbraw/zinc/26/45/63/571264563.db2.gz	PKEUIIZCHBNXIO-MSOLQXFVSA-N	0	0	406.402	2.230	50	5		HEBARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1ccc(C)cc1	ZINC000009634416	571275106	/nfs/dbraw/zinc/27/51/06/571275106.db2.gz	AFDLEQVPAHSTAJ-QQTULTPQSA-N	0	0	416.437	2.412	50	5		HEBARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1ccccc1C	ZINC000009634324	571275115	/nfs/dbraw/zinc/27/51/15/571275115.db2.gz	HTUBBUKDITUDJN-QQTULTPQSA-N	0	0	416.437	2.412	50	5		HEBARN
COc1ccc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1OC	ZINC000009662004	571277760	/nfs/dbraw/zinc/27/77/60/571277760.db2.gz	FFCWYDLOGXLEQG-UHFFFAOYSA-N	0	0	423.447	2.377	50	5		HEBARN
Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1S(=O)(=O)N1CCOCC1	ZINC000009667764	571278286	/nfs/dbraw/zinc/27/82/86/571278286.db2.gz	WTAXMWSIGHJEBX-UHFFFAOYSA-N	0	0	419.459	2.485	50	5		HEBARN
COc1ccc(-c2n[nH]c(=O)c3c2[C@H](c2ccc([N+](=O)[O-])cc2)n2nnnc2N3)cc1	ZINC000010295336	571299498	/nfs/dbraw/zinc/29/94/98/571299498.db2.gz	ZVANDYFKHMMBTG-KRWDZBQOSA-N	0	0	418.373	2.447	50	5		HEBARN
CC1(C)C(=O)Nc2ccccc2N1C(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O	ZINC000004515848	132277928	/nfs/dbraw/zinc/27/79/28/132277928.db2.gz	JCJAWJKUQZJYRT-UHFFFAOYSA-N	0	0	407.386	2.069	50	5		HEBARN
COC(=O)c1cc(NC(=O)COc2ccccc2[N+](=O)[O-])ccc1N1CCOCC1	ZINC000004710783	132284647	/nfs/dbraw/zinc/28/46/47/132284647.db2.gz	GKYPRHPCFJPYJB-UHFFFAOYSA-N	0	0	415.402	2.236	50	5		HEBARN
C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(N3CCC[C@H](CO)C3)c([N+](=O)[O-])c2)C1	ZINC000008177915	132328355	/nfs/dbraw/zinc/32/83/55/132328355.db2.gz	GXIQHGJPCNMDLY-XHSDSOJGSA-N	0	0	411.524	2.470	50	5		HEBARN
O=C1NC(=S)N(C2CC2)C(=O)[C@@]12Cc1cc([N+](=O)[O-])ccc1N1CCCCC[C@H]12	ZINC000009109823	132335984	/nfs/dbraw/zinc/33/59/84/132335984.db2.gz	KQQUHYXFSPMEEJ-OXJNMPFZSA-N	0	0	414.487	2.292	50	5		HEBARN
CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000012521989	132361688	/nfs/dbraw/zinc/36/16/88/132361688.db2.gz	WXJOVUNXDSFTFH-UHFFFAOYSA-N	0	0	416.409	2.281	50	5		HEBARN
CC(=O)N1CCC(Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2[N+](=O)[O-])CC1	ZINC000032743530	519518378	/nfs/dbraw/zinc/51/83/78/519518378.db2.gz	LWJXCAOXZRLNTR-CQSZACIVSA-N	0	0	424.523	2.438	50	5		HEBARN
CCCNC(=O)[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c2ccccc2O1	ZINC000032857647	519890609	/nfs/dbraw/zinc/89/06/09/519890609.db2.gz	XBLQVGUHYFCIIR-IBGZPJMESA-N	0	0	412.446	2.351	50	5		HEBARN
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](c1ccccc1)N1CCOCC1	ZINC000045806220	525931031	/nfs/dbraw/zinc/93/10/31/525931031.db2.gz	KFDKQVXWZIDQNF-SFHVURJKSA-N	0	0	405.476	2.255	50	5		HEBARN
Cc1cnc2c(cccc2S(=O)(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)c1	ZINC000032825082	526170914	/nfs/dbraw/zinc/17/09/14/526170914.db2.gz	DLHDGWQCEJIHOB-UHFFFAOYSA-N	0	0	413.459	2.357	50	5		HEBARN
NC(=O)CCN(C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(F)cc1	ZINC000032843465	526867897	/nfs/dbraw/zinc/86/78/97/526867897.db2.gz	DRWRZQJBMZWQPY-UHFFFAOYSA-N	0	0	416.409	2.093	50	5		HEBARN
COc1ccccc1CNC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1	ZINC000012562981	537047019	/nfs/dbraw/zinc/04/70/19/537047019.db2.gz	WIOFXYWHLZWDKO-UHFFFAOYSA-N	0	0	412.446	2.202	50	5		HEBARN
CCOc1cc(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)ccc1[N+](=O)[O-]	ZINC000072307787	558767777	/nfs/dbraw/zinc/76/77/77/558767777.db2.gz	OJBMZPRMDXAQCD-UHFFFAOYSA-N	0	0	415.475	2.385	50	5		HEBARN
C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1	ZINC000010647185	558836469	/nfs/dbraw/zinc/83/64/69/558836469.db2.gz	MCESTBGIYLSFLW-GFCCVEGCSA-N	0	0	421.431	2.029	50	5		HEBARN
CCOCCCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	ZINC000004679558	558890668	/nfs/dbraw/zinc/89/06/68/558890668.db2.gz	MIIJFDTWAFXXMP-UHFFFAOYSA-N	0	0	421.475	2.333	50	5		HEBARN
C[C@@H](OC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])C(=O)NC1CCCCC1	ZINC000021688422	558890751	/nfs/dbraw/zinc/89/07/51/558890751.db2.gz	BCCNGHODSDXLGJ-LLVKDONJSA-N	0	0	409.464	2.166	50	5		HEBARN
CC(C)(CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])N1CCOCC1	ZINC000022019069	558984183	/nfs/dbraw/zinc/98/41/83/558984183.db2.gz	QZJYCFURESLRJX-UHFFFAOYSA-N	0	0	411.402	2.411	50	5		HEBARN
COc1ccc(NC(=O)CSc2nnc(Cn3nccc3C)o2)c([N+](=O)[O-])c1	ZINC000013960192	559013133	/nfs/dbraw/zinc/01/31/33/559013133.db2.gz	KZTPYFAEEUHVRX-UHFFFAOYSA-N	0	0	404.408	2.270	50	5		HEBARN
O=C(COc1ccccc1[N+](=O)[O-])NC1CCN(CC(=O)Nc2ccccc2)CC1	ZINC000011525828	559087716	/nfs/dbraw/zinc/08/77/16/559087716.db2.gz	SEHIRKMLUWAMCF-UHFFFAOYSA-N	0	0	412.446	2.193	50	5		HEBARN
O=C(CNc1cc([N+](=O)[O-])ccc1NCCO)Nc1ccc(N2CCCC2=O)cc1	ZINC000011550797	559089364	/nfs/dbraw/zinc/08/93/64/559089364.db2.gz	PVAQJHYAXNTZLC-UHFFFAOYSA-N	0	0	413.434	2.176	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)CCn1c(C)csc1=O	ZINC000014245248	559161462	/nfs/dbraw/zinc/16/14/62/559161462.db2.gz	DWWAUFJKLOSPRZ-NSHDSACASA-N	0	0	409.420	2.096	50	5		HEBARN
C[C@H](NC(=O)[C@H](C)OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccccc1	ZINC000011672854	559171527	/nfs/dbraw/zinc/17/15/27/559171527.db2.gz	QPIFLSABHIZKMO-STQMWFEESA-N	0	0	420.443	2.421	50	5		HEBARN
COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Br)c([N+](=O)[O-])c1	ZINC000004863498	559192988	/nfs/dbraw/zinc/19/29/88/559192988.db2.gz	IMIXVACKWLASLO-CYBMUJFWSA-N	0	0	414.212	2.175	50	5		HEBARN
COc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1NCCN1C(=O)CCC1=O	ZINC000005065308	559239342	/nfs/dbraw/zinc/23/93/42/559239342.db2.gz	WYNOIUMYNKPVDD-UHFFFAOYSA-N	0	0	412.402	2.417	50	5		HEBARN
COc1ccc(C(=O)N2CCN(c3nc4ccccn4c3[N+](=O)[O-])CC2)cc1OC	ZINC000024209681	559278623	/nfs/dbraw/zinc/27/86/23/559278623.db2.gz	BTNSNBKRBARVHV-UHFFFAOYSA-N	0	0	411.418	2.222	50	5		HEBARN
Cc1ccc([C@@H](CN2CCOCC2)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000024209200	559278802	/nfs/dbraw/zinc/27/88/02/559278802.db2.gz	OOGHORFFSLUUQL-LJQANCHMSA-N	0	0	405.476	2.255	50	5		HEBARN
C[C@H](OC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000005239785	560548925	/nfs/dbraw/zinc/54/89/25/560548925.db2.gz	OKVCUKYWXGJIKC-STQMWFEESA-N	0	0	401.375	2.107	50	5		HEBARN
CNc1ccc(C(=O)OCC(=O)NCc2ccc(OC)c(OC)c2)cc1[N+](=O)[O-]	ZINC000005363409	560571940	/nfs/dbraw/zinc/57/19/40/560571940.db2.gz	ZKMUVIGQFFIQEC-UHFFFAOYSA-N	0	0	403.391	2.127	50	5		HEBARN
COc1ccc(CCNC(=O)COC(=O)c2cccc(C)c2[N+](=O)[O-])cc1OC	ZINC000003495268	560595775	/nfs/dbraw/zinc/59/57/75/560595775.db2.gz	MMQJIIVKDQOBGS-UHFFFAOYSA-N	0	0	402.403	2.436	50	5		HEBARN
Cc1ccc([N+](=O)[O-])cc1N1C(=O)C[C@H](Nc2ccc(N3CCOCC3)cc2)C1=O	ZINC000100865779	560760261	/nfs/dbraw/zinc/76/02/61/560760261.db2.gz	UPKRCPQJGUXDNC-SFHVURJKSA-N	0	0	410.430	2.484	50	5		HEBARN
CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN21	ZINC000101407732	560794306	/nfs/dbraw/zinc/79/43/06/560794306.db2.gz	FDZPDWQOFWXZEN-WCIQWLHISA-N	0	0	418.409	2.371	50	5		HEBARN
COc1ccc(C2=NO[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(=O)[C@@H]23)cc1OC	ZINC000102564083	560816474	/nfs/dbraw/zinc/81/64/74/560816474.db2.gz	GPTJDNKNJXNIQE-WMZOPIPTSA-N	0	0	411.370	2.213	50	5		HEBARN
C[C@H](NC(=O)/C=C\c1ccccc1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000046867117	560878534	/nfs/dbraw/zinc/87/85/34/560878534.db2.gz	WQBMLHRPJXCRTL-CPFIRTDXSA-N	0	0	408.458	2.462	50	5		HEBARN
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H](C)Cn1ccnc1	ZINC000048235834	568432832	/nfs/dbraw/zinc/43/28/32/568432832.db2.gz	DGLPAKBIXVQWAP-BLLLJJGKSA-N	0	0	407.858	2.404	50	5		HEBARN
Cn1c(=O)c2c(n(C)c1=O)N=C1c3ccccc3C(=O)[C@H]1[C@H]2c1cccc([N+](=O)[O-])c1	ZINC000000649634	568456635	/nfs/dbraw/zinc/45/66/35/568456635.db2.gz	AGRTXIWHJHQUKK-CVEARBPZSA-N	0	0	416.393	2.071	50	5		HEBARN
Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1	ZINC000095459224	568619592	/nfs/dbraw/zinc/61/95/92/568619592.db2.gz	HUAYCQMYIUOODI-SFHVURJKSA-N	0	0	410.434	2.345	50	5		HEBARN
O=C(c1ccccc1)N1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)CC1	ZINC000000887162	568736758	/nfs/dbraw/zinc/73/67/58/568736758.db2.gz	SLFCFTLJYYQYHG-UHFFFAOYSA-N	0	0	407.382	2.299	50	5		HEBARN
O=[N+]([O-])c1ccc(-c2csc(N3CCN(S(=O)(=O)N4CCCC4)CC3)n2)cc1	ZINC000015083492	568749919	/nfs/dbraw/zinc/74/99/19/568749919.db2.gz	FISRLLGZDYSPCF-UHFFFAOYSA-N	0	0	423.520	2.181	50	5		HEBARN
O=C(COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1cccc(Cl)c1	ZINC000000941653	568753279	/nfs/dbraw/zinc/75/32/79/568753279.db2.gz	GLLKDHJVWRTPDV-UHFFFAOYSA-N	0	0	417.761	2.026	50	5		HEBARN
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCC(=O)c1ccc(Cl)cc1	ZINC000000990558	568759858	/nfs/dbraw/zinc/75/98/58/568759858.db2.gz	KLMIKWRBPAOHDV-UHFFFAOYSA-N	0	0	402.746	2.270	50	5		HEBARN
COC(=O)[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@]12c1ccc(Cl)cc1	ZINC000022228818	568765445	/nfs/dbraw/zinc/76/54/45/568765445.db2.gz	ONOCEVUARQLKJH-YZVOILCLSA-N	0	0	400.774	2.478	50	5		HEBARN
O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000001133033	568773321	/nfs/dbraw/zinc/77/33/21/568773321.db2.gz	HMQWLRFVIBWSJZ-BJMVGYQFSA-N	0	0	417.443	2.268	50	5		HEBARN
COc1ccc(N([C@@H]2C=CS(=O)(=O)C2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000001153720	568774135	/nfs/dbraw/zinc/77/41/35/568774135.db2.gz	YJAWIONOQBXXPC-OAHLLOKOSA-N	0	0	424.456	2.109	50	5		HEBARN
O=C(NCCCn1cc(Br)cn1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1	ZINC000002778142	568807672	/nfs/dbraw/zinc/80/76/72/568807672.db2.gz	VRFNZHQZBRUGSK-UHFFFAOYSA-N	0	0	423.227	2.212	50	5		HEBARN
COC(=O)c1sc2ncn3nc(Cn4nc(C)c([N+](=O)[O-])c4C)nc3c2c1C	ZINC000002791294	568809815	/nfs/dbraw/zinc/80/98/15/568809815.db2.gz	OHNORPAUMIJYSO-UHFFFAOYSA-N	0	0	401.408	2.204	50	5		HEBARN
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cccc([N+](=O)[O-])c1	ZINC000002854605	568813255	/nfs/dbraw/zinc/81/32/55/568813255.db2.gz	ZFOAVRVXIIQVMH-UHFFFAOYSA-N	0	0	406.420	2.260	50	5		HEBARN
O=C(O[C@@H]1OCCO[C@H]1OC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]	ZINC000002901973	568815205	/nfs/dbraw/zinc/81/52/05/568815205.db2.gz	HPFUZJJKDBHOCR-ROUUACIJSA-N	0	0	418.314	2.216	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)CCc1c(C)nn(C)c1C	ZINC000029657099	568828522	/nfs/dbraw/zinc/82/85/22/568828522.db2.gz	QGFFMWUKLHPIQF-ZDUSSCGKSA-N	0	0	404.423	2.457	50	5		HEBARN
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(CCOc3cccc(F)c3)CC2)c1	ZINC000029694497	568828753	/nfs/dbraw/zinc/82/87/53/568828753.db2.gz	CPRWOGNIZWTERA-UHFFFAOYSA-N	0	0	409.439	2.119	50	5		HEBARN
COC(=O)c1cccc([N+](=O)[O-])c1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O	ZINC000002982342	568832943	/nfs/dbraw/zinc/83/29/43/568832943.db2.gz	IFLKAQFUNFHFOW-UHFFFAOYSA-N	0	0	410.386	2.432	50	5		HEBARN
COCCNc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-]	ZINC000012551302	568853398	/nfs/dbraw/zinc/85/33/98/568853398.db2.gz	YQWVQWFGNZGYFU-UHFFFAOYSA-N	0	0	408.455	2.346	50	5		HEBARN
CNc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC[C@H]3C)CC2)cc1[N+](=O)[O-]	ZINC000012553766	568854796	/nfs/dbraw/zinc/85/47/96/568854796.db2.gz	CHABHVFZZODXEE-CQSZACIVSA-N	0	0	424.523	2.438	50	5		HEBARN
COc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1[N+](=O)[O-]	ZINC000012639881	568884104	/nfs/dbraw/zinc/88/41/04/568884104.db2.gz	SERCIWHUQDJXOU-UHFFFAOYSA-N	0	0	419.415	2.048	50	5		HEBARN
COC(=O)c1cc(C(=O)N[C@](C)(C(=O)OC)c2cc(F)ccc2F)cc([N+](=O)[O-])c1	ZINC000058247070	568905094	/nfs/dbraw/zinc/90/50/94/568905094.db2.gz	JUNNRIZVTAMDSS-IBGZPJMESA-N	0	0	422.340	2.478	50	5		HEBARN
COc1ccc(-c2nc3s/c(=C\c4ccccc4[N+](=O)[O-])c(=O)n3n2)cc1OC	ZINC000001315831	568913967	/nfs/dbraw/zinc/91/39/67/568913967.db2.gz	NRKOFMZECQEVIT-YBEGLDIGSA-N	0	0	410.411	2.291	50	5		HEBARN
CC(C)NC(=O)COC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000003553002	568914970	/nfs/dbraw/zinc/91/49/70/568914970.db2.gz	XUTQAYVLWMSYBS-UHFFFAOYSA-N	0	0	422.415	2.044	50	5		HEBARN
COc1cccc(CN(C)C(=O)Cn2cc([N+](=O)[O-])cc(Br)c2=O)c1	ZINC000083864174	568921599	/nfs/dbraw/zinc/92/15/99/568921599.db2.gz	OOXCWAXKWJROTF-UHFFFAOYSA-N	0	0	410.224	2.186	50	5		HEBARN
O=C(NC[C@H]1CCCO1)C1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1	ZINC000026170463	569027822	/nfs/dbraw/zinc/02/78/22/569027822.db2.gz	BFYIZHQIWZNBBV-QGZVFWFLSA-N	0	0	415.450	2.152	50	5		HEBARN
C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(CC(=O)Nc2ccccc2)CC1	ZINC000012947423	569029163	/nfs/dbraw/zinc/02/91/63/569029163.db2.gz	AORBOUDUFZCIRD-INIZCTEOSA-N	0	0	411.462	2.178	50	5		HEBARN
COc1ccccc1CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-]	ZINC000035593281	569045533	/nfs/dbraw/zinc/04/55/33/569045533.db2.gz	QOZJZPBRIQOGLF-UHFFFAOYSA-N	0	0	420.491	2.152	50	5		HEBARN
COc1cc(OC)cc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1	ZINC000089424046	569060229	/nfs/dbraw/zinc/06/02/29/569060229.db2.gz	LFJMCXNELMGTAG-UHFFFAOYSA-N	0	0	424.431	2.425	50	5		HEBARN
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000006509564	569061970	/nfs/dbraw/zinc/06/19/70/569061970.db2.gz	NAYUCCQFKJWMCH-UHFFFAOYSA-N	0	0	413.434	2.452	50	5		HEBARN
CN(Cc1ccccc1)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000006636987	569076676	/nfs/dbraw/zinc/07/66/76/569076676.db2.gz	XDHOZWGSDVCART-UHFFFAOYSA-N	0	0	413.430	2.247	50	5		HEBARN
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000006984046	569195794	/nfs/dbraw/zinc/19/57/94/569195794.db2.gz	VDRAEOWATJMTRD-MRXNPFEDSA-N	0	0	420.491	2.348	50	5		HEBARN
O=[N+]([O-])c1cccc(COc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1	ZINC000089780834	569264139	/nfs/dbraw/zinc/26/41/39/569264139.db2.gz	QXEFMSATWPZFBI-UHFFFAOYSA-N	0	0	423.403	2.103	50	5		HEBARN
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)Cn3cnc([N+](=O)[O-])n3)c2C(N)=O)C1	ZINC000002092752	569280350	/nfs/dbraw/zinc/28/03/50/569280350.db2.gz	XSBMUSBPPPNFRA-VIFPVBQESA-N	0	0	406.468	2.136	50	5		HEBARN
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H]3C=CC=NN3[C@H](C(=O)C(C)(C)C)[C@H]2C1=O	ZINC000253487601	569381655	/nfs/dbraw/zinc/38/16/55/569381655.db2.gz	MLVLTNRIXBWLPR-QZWWFDLISA-N	0	0	410.430	2.232	50	5		HEBARN
O=C([C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCCC1	ZINC000012799502	569403657	/nfs/dbraw/zinc/40/36/57/569403657.db2.gz	VHJDURDOHRBMIO-IBGZPJMESA-N	0	0	415.471	2.333	50	5		HEBARN
CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000067286238	571064384	/nfs/dbraw/zinc/06/43/84/571064384.db2.gz	SRBGDPKPDFHXJP-GOSISDBHSA-N	0	0	402.451	2.498	50	5		HEBARN
Cc1occc1-c1nnc(SCC(=O)NC(=O)c2cccc([N+](=O)[O-])c2)n1C	ZINC000009317086	571247608	/nfs/dbraw/zinc/24/76/08/571247608.db2.gz	SNWGBAVNQGJQGR-UHFFFAOYSA-N	0	0	401.404	2.340	50	5		HEBARN
CC(=O)N1c2ccccc2Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000009359137	571251428	/nfs/dbraw/zinc/25/14/28/571251428.db2.gz	PRVNTGURRZCMPW-GOSISDBHSA-N	0	0	422.397	2.240	50	5		HEBARN
COc1cc(C(=O)OCc2cccc(S(=O)(=O)N(C)C)c2)c([N+](=O)[O-])cc1OC	ZINC000009487849	571262496	/nfs/dbraw/zinc/26/24/96/571262496.db2.gz	CHOKDQQRCOONJJ-UHFFFAOYSA-N	0	0	424.431	2.219	50	5		HEBARN
CCOc1ccc(-n2c(=O)[nH]c3c2nc(-c2ccc([N+](=O)[O-])cc2)nc3C(N)=O)cc1	ZINC000009739025	571283236	/nfs/dbraw/zinc/28/32/36/571283236.db2.gz	CYCZNPCTPPRPMQ-UHFFFAOYSA-N	0	0	420.385	2.182	50	5		HEBARN
O=C(/C=C\c1ccc(O)cc1)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000096504017	132227362	/nfs/dbraw/zinc/22/73/62/132227362.db2.gz	DERMDUXPASJRQN-KMKOMSMNSA-N	0	0	411.414	2.206	50	5		HEBARN
O=c1/c(=C/c2ccc(Cl)cc2)sc2n1CN(c1cccc([N+](=O)[O-])c1)CN=2	ZINC000001311657	132243898	/nfs/dbraw/zinc/24/38/98/132243898.db2.gz	WRISPFTXLBPODX-PXNMLYILSA-N	0	0	400.847	2.355	50	5		HEBARN
O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2n1CN(c1ccc(Cl)cc1)CN=2	ZINC000002342414	132252866	/nfs/dbraw/zinc/25/28/66/132252866.db2.gz	OWYUTFOWJREFMA-SXGWCWSVSA-N	0	0	400.847	2.355	50	5		HEBARN
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1S(=O)(=O)c1ccccc1	ZINC000004083464	132270883	/nfs/dbraw/zinc/27/08/83/132270883.db2.gz	AAENPMQHDYNLBS-CYBMUJFWSA-N	0	0	406.420	2.402	50	5		HEBARN
CC1CCN(c2ccc(C(=O)OCC(=O)NC[C@H]3CCCO3)cc2[N+](=O)[O-])CC1	ZINC000004868079	132291143	/nfs/dbraw/zinc/29/11/43/132291143.db2.gz	PNTXYUPWKHTKBS-MRXNPFEDSA-N	0	0	405.451	2.283	50	5		HEBARN
C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1	ZINC000004889871	132291721	/nfs/dbraw/zinc/29/17/21/132291721.db2.gz	RIGPKMPHSDKHRD-GJZGRUSLSA-N	0	0	405.451	2.093	50	5		HEBARN
CC(C)N1C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)NC1=S	ZINC000008742945	132333013	/nfs/dbraw/zinc/33/30/13/132333013.db2.gz	VLVUMFFSSUZIMU-DNVCBOLYSA-N	0	0	402.476	2.148	50	5		HEBARN
COc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c([N+](=O)[O-])cc1OC	ZINC000008916740	132334186	/nfs/dbraw/zinc/33/41/86/132334186.db2.gz	ZFKHNWFAWUGHLB-UHFFFAOYSA-N	0	0	416.390	2.483	50	5		HEBARN
CC(C)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C1=O	ZINC000009016115	132335027	/nfs/dbraw/zinc/33/50/27/132335027.db2.gz	XTCLYUDAUYPXRY-OXQOHEQNSA-N	0	0	400.435	2.373	50	5		HEBARN
Cc1ccc(C(=O)Nc2ccccc2N2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-]	ZINC000009190261	132336957	/nfs/dbraw/zinc/33/69/57/132336957.db2.gz	YOOOQCMRYXDUMV-UHFFFAOYSA-N	0	0	418.475	2.237	50	5		HEBARN
C[C@H]1CCC[C@H](C)C12NC(=O)N(CN1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2=O	ZINC000012538341	132362415	/nfs/dbraw/zinc/36/24/15/132362415.db2.gz	LUVOCZNXJAZVEN-HOTGVXAUSA-N	0	0	415.494	2.421	50	5		HEBARN
COc1cc(NC(=O)[C@H](C)N2C(=O)[C@@H]3CC(Cl)=CC[C@@H]3C2=O)ccc1[N+](=O)[O-]	ZINC000239275046	522712810	/nfs/dbraw/zinc/71/28/10/522712810.db2.gz	BCWBMOADFUDQBC-TVYUQYBPSA-N	0	0	407.810	2.448	50	5		HEBARN
C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccccc2)CC1	ZINC000032440594	524746233	/nfs/dbraw/zinc/74/62/33/524746233.db2.gz	ZNQAJRVGOQCYOJ-INIZCTEOSA-N	0	0	404.492	2.084	50	5		HEBARN
C[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000042236756	525037697	/nfs/dbraw/zinc/03/76/97/525037697.db2.gz	LCAVERBOYSYSMP-SNQZOLJRSA-N	0	0	408.458	2.462	50	5		HEBARN
Cc1ccc([C@@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N2CCOCC2)o1	ZINC000032853487	525766293	/nfs/dbraw/zinc/76/62/93/525766293.db2.gz	CDIRGRQWRZDKAB-QGZVFWFLSA-N	0	0	409.464	2.385	50	5		HEBARN
CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)Nc1ccc(F)cc1[N+](=O)[O-]	ZINC000097653877	557842467	/nfs/dbraw/zinc/84/24/67/557842467.db2.gz	PNJHRQKEFNWNPS-CXUHLZMHSA-N	0	0	401.350	2.393	50	5		HEBARN
O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1ccccc1C(=S)N1CCOCC1	ZINC000004543444	558663696	/nfs/dbraw/zinc/66/36/96/558663696.db2.gz	HVKOWYYMIJKBRR-UHFFFAOYSA-N	0	0	408.457	2.370	50	5		HEBARN
CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(C)c(NS(C)(=O)=O)c1	ZINC000072289371	558722874	/nfs/dbraw/zinc/72/28/74/558722874.db2.gz	UABOAFWLSWLWPI-CYBMUJFWSA-N	0	0	424.483	2.146	50	5		HEBARN
CS(=O)(=O)c1ccc(N2CCN(Cc3ccc4c(c3)CCO4)CC2)c([N+](=O)[O-])c1	ZINC000015141396	558725274	/nfs/dbraw/zinc/72/52/74/558725274.db2.gz	SJKVBQKMSHEHBQ-UHFFFAOYSA-N	0	0	417.487	2.255	50	5		HEBARN
C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1	ZINC000010647184	558836423	/nfs/dbraw/zinc/83/64/23/558836423.db2.gz	MCESTBGIYLSFLW-LBPRGKRZSA-N	0	0	421.431	2.029	50	5		HEBARN
COCCCn1c(=N)c(C(=O)NCc2ccccc2)cc2c1nc1ccccn1c2=O	ZINC000100627999	559137058	/nfs/dbraw/zinc/13/70/58/559137058.db2.gz	FZQZXILZTWISQD-UHFFFAOYSA-N	0	0	417.469	2.095	50	5		HEBARN
COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Br)c([N+](=O)[O-])c1	ZINC000004863497	559192957	/nfs/dbraw/zinc/19/29/57/559192957.db2.gz	IMIXVACKWLASLO-ZDUSSCGKSA-N	0	0	414.212	2.175	50	5		HEBARN
COCCn1c(=N)c(C(=O)NCc2ccccc2)cc2c1nc1ccc(C)cn1c2=O	ZINC000100627913	559245460	/nfs/dbraw/zinc/24/54/60/559245460.db2.gz	HKDLDKRAHPOILL-UHFFFAOYSA-N	0	0	417.469	2.013	50	5		HEBARN
O=C(COC(=O)c1n[nH]c(=O)c2ccccc21)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000005166092	559281594	/nfs/dbraw/zinc/28/15/94/559281594.db2.gz	XBICHPQQMSFHCC-UHFFFAOYSA-N	0	0	402.750	2.280	50	5		HEBARN
CCOC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000005658985	560637078	/nfs/dbraw/zinc/63/70/78/560637078.db2.gz	CCCJWFHTYRSXFI-UHFFFAOYSA-N	0	0	419.459	2.282	50	5		HEBARN
O=C(C1=C2C(O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2C=CC=NN12)c1cccc([N+](=O)[O-])c1	ZINC000017889099	560729947	/nfs/dbraw/zinc/72/99/47/560729947.db2.gz	JOOSAWWFWJAWFC-CADBVGFASA-N	0	0	416.393	2.192	50	5		HEBARN
COCCn1c(=N)c(C(=O)NCc2ccc(C)cc2)cc2c1nc1ccccn1c2=O	ZINC000100869467	560760398	/nfs/dbraw/zinc/76/03/98/560760398.db2.gz	YDTQOYFZYFADIW-UHFFFAOYSA-N	0	0	417.469	2.013	50	5		HEBARN
CCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc([N+](=O)[O-])o1	ZINC000101061435	560768832	/nfs/dbraw/zinc/76/88/32/560768832.db2.gz	OKCXNXYEKLGFRR-ICFOKQHNSA-N	0	0	410.433	2.003	50	5		HEBARN
COc1cccc(C2=NO[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(O)=C23)c1OC	ZINC000101280580	560790402	/nfs/dbraw/zinc/79/04/02/560790402.db2.gz	HYJZTRGMCUCHGI-QAPCUYQASA-N	0	0	411.370	2.213	50	5		HEBARN
CCOC(=O)C1=C(N)N=C(OCC)[C@H](C(=O)OCC)[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000101358222	560793282	/nfs/dbraw/zinc/79/32/82/560793282.db2.gz	ZLVUZXAWMQKQHC-DZGCQCFKSA-N	0	0	405.407	2.040	50	5		HEBARN
COc1cccc(C2=NO[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(O)=C23)c1OC	ZINC000102556987	560817874	/nfs/dbraw/zinc/81/78/74/560817874.db2.gz	UWXKKHUMNBVSTH-CRAIPNDOSA-N	0	0	411.370	2.213	50	5		HEBARN
C[C@H](C(=O)NC(=O)NCc1ccccc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000014924060	568455459	/nfs/dbraw/zinc/45/54/59/568455459.db2.gz	NTMHOQTXKAWFOY-MRXNPFEDSA-N	0	0	411.462	2.131	50	5		HEBARN
COc1ccc(-c2cc(N)n(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1OC	ZINC000020330660	568599388	/nfs/dbraw/zinc/59/93/88/568599388.db2.gz	LTWVPWVHMZORKD-UHFFFAOYSA-N	0	0	404.404	2.295	50	5		HEBARN
CC(=O)Oc1ccccc1[C@@H]1OC(c2cc3c(cc2[N+](=O)[O-])OCO3)=NN1C(C)=O	ZINC000021092135	568664221	/nfs/dbraw/zinc/66/42/21/568664221.db2.gz	WAMPETQPIUKKEH-IBGZPJMESA-N	0	0	413.342	2.488	50	5		HEBARN
COc1cc(CCNC(=O)c2cc(C)nc3c2c(C)nn3C)c([N+](=O)[O-])cc1OC	ZINC000025169747	568758451	/nfs/dbraw/zinc/75/84/51/568758451.db2.gz	DHBJSHPCCUGQCT-UHFFFAOYSA-N	0	0	413.434	2.483	50	5		HEBARN
O=[N+]([O-])c1cccc([C@H]2NC(=S)N3[C@@H](c4cccc([N+](=O)[O-])c4)NC(=S)N23)c1	ZINC000096562192	568760292	/nfs/dbraw/zinc/76/02/92/568760292.db2.gz	GTPYHFNZNLIXFE-KBPBESRZSA-N	0	0	416.444	2.496	50	5		HEBARN
O=[N+]([O-])c1cccc([C@@H]2NC(=S)N3[C@H](c4cccc([N+](=O)[O-])c4)NC(=S)N23)c1	ZINC000096562193	568760314	/nfs/dbraw/zinc/76/03/14/568760314.db2.gz	GTPYHFNZNLIXFE-ZIAGYGMSSA-N	0	0	416.444	2.496	50	5		HEBARN
O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)OCc1cc2c(c(Cl)c1)OCO2	ZINC000025258999	568761205	/nfs/dbraw/zinc/76/12/05/568761205.db2.gz	WBEWPSJYXXNTCI-UHFFFAOYSA-N	0	0	420.761	2.446	50	5		HEBARN
Cc1nn(Cc2nnc(SCC(=O)Nc3ccccc3)n2C)c(C)c1[N+](=O)[O-]	ZINC000001038230	568764064	/nfs/dbraw/zinc/76/40/64/568764064.db2.gz	IHRSDGDUWAUDQR-UHFFFAOYSA-N	0	0	401.452	2.316	50	5		HEBARN
COC(=O)C1=CN(C[C@H]2CCCO2)C=C(C(=O)OC)C1c1ccc([N+](=O)[O-])cc1	ZINC000001077353	568765370	/nfs/dbraw/zinc/76/53/70/568765370.db2.gz	FWIURTSHBGQIJS-OAHLLOKOSA-N	0	0	402.403	2.287	50	5		HEBARN
CCN1C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C(=O)N(C)C1=S	ZINC000230030464	568802925	/nfs/dbraw/zinc/80/29/25/568802925.db2.gz	BPKPJHLOCGKLCP-KXBFYZLASA-N	0	0	402.476	2.102	50	5		HEBARN
CCOC(=O)N1CCN(C(=O)c2ccccc2Cn2nc(C)c([N+](=O)[O-])c2C)CC1	ZINC000002795297	568810571	/nfs/dbraw/zinc/81/05/71/568810571.db2.gz	XQLLQQKDNQRMBQ-UHFFFAOYSA-N	0	0	415.450	2.371	50	5		HEBARN
COC(=O)c1sc(NC(=O)CCCn2nc([N+](=O)[O-])cc2C)c(C(=O)OC)c1C	ZINC000002887481	568814350	/nfs/dbraw/zinc/81/43/50/568814350.db2.gz	SVARCIYNSXXTSW-UHFFFAOYSA-N	0	0	424.435	2.462	50	5		HEBARN
COc1cccc(CN(C)c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)c1	ZINC000012517602	568840814	/nfs/dbraw/zinc/84/08/14/568840814.db2.gz	HZDCTABWVYVCLB-UHFFFAOYSA-N	0	0	421.475	2.261	50	5		HEBARN
CNS(=O)(=O)c1ccc(NCc2ccc(Cn3cccn3)cc2)c([N+](=O)[O-])c1	ZINC000012528021	568843758	/nfs/dbraw/zinc/84/37/58/568843758.db2.gz	PFCGUCKVHUSWPM-UHFFFAOYSA-N	0	0	401.448	2.360	50	5		HEBARN
COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)N2CCC[C@@H](C(N)=O)C2)cc1	ZINC000012553691	568854654	/nfs/dbraw/zinc/85/46/54/568854654.db2.gz	VVDFMZXLAJOGAB-OAHLLOKOSA-N	0	0	413.430	2.373	50	5		HEBARN
CC(=O)Nc1ccc(-c2csc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)n2)cc1	ZINC000058159156	568894051	/nfs/dbraw/zinc/89/40/51/568894051.db2.gz	AHAIAHCPTIMPGN-UHFFFAOYSA-N	0	0	413.415	2.477	50	5		HEBARN
O=C(N[C@@H](Cn1cncn1)c1ccccc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000058315563	568910982	/nfs/dbraw/zinc/91/09/82/568910982.db2.gz	VCSIOORXTOYNNP-SFHVURJKSA-N	0	0	422.445	2.194	50	5		HEBARN
CCOC(=O)c1nnn2c1sc1c(C(=O)OCC)nnn1c1cc(C)ccc12	ZINC000001409547	568929112	/nfs/dbraw/zinc/92/91/12/568929112.db2.gz	UVTNDRDNUXWRKU-UHFFFAOYSA-N	0	0	400.420	2.211	50	5		HEBARN
NC(=O)c1nc(-c2ccc([N+](=O)[O-])cc2)nc2c1[nH]c(=O)n2-c1cccc(Cl)c1	ZINC000004274079	568957884	/nfs/dbraw/zinc/95/78/84/568957884.db2.gz	HPFOUENPDUUHBZ-UHFFFAOYSA-N	0	0	410.777	2.436	50	5		HEBARN
COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O	ZINC000004305112	568976872	/nfs/dbraw/zinc/97/68/72/568976872.db2.gz	OJMLQMFFNZGBRB-FQEVSTJZSA-N	0	0	412.402	2.318	50	5		HEBARN
COc1ccc(C(=O)NCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1[N+](=O)[O-]	ZINC000012808889	568980784	/nfs/dbraw/zinc/98/07/84/568980784.db2.gz	PMQKEIGHRBRHII-UHFFFAOYSA-N	0	0	412.402	2.099	50	5		HEBARN
O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000008379669	568995658	/nfs/dbraw/zinc/99/56/58/568995658.db2.gz	SHWXPIMABILWNV-ZHACJKMWSA-N	0	0	401.444	2.141	50	5		HEBARN
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCN(C(=O)N3CCCCC3)CC2)c1C	ZINC000012856310	569011061	/nfs/dbraw/zinc/01/10/61/569011061.db2.gz	FELIZWUOZLDILX-UHFFFAOYSA-N	0	0	410.496	2.124	50	5		HEBARN
C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000012871770	569013353	/nfs/dbraw/zinc/01/33/53/569013353.db2.gz	GRUFCQFSDVUXCF-VXGBXAGGSA-N	0	0	409.464	2.119	50	5		HEBARN
COc1ccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CCCC4)c([N+](=O)[O-])c1	ZINC000006166739	569016093	/nfs/dbraw/zinc/01/60/93/569016093.db2.gz	NITTZYWDNHVNRS-UHFFFAOYSA-N	0	0	415.431	2.287	50	5		HEBARN
Cc1ccc(CN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H]2CCS(=O)(=O)C2)o1	ZINC000015952829	569024468	/nfs/dbraw/zinc/02/44/68/569024468.db2.gz	NOEOOAPQBLYTTR-HNNXBMFYSA-N	0	0	408.432	2.091	50	5		HEBARN
CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)COc1cccc([N+](=O)[O-])c1	ZINC000016123641	569029139	/nfs/dbraw/zinc/02/91/39/569029139.db2.gz	AZCDQZAFTJNYQO-UHFFFAOYSA-N	0	0	419.459	2.203	50	5		HEBARN
O=C(CNC(=O)c1ccc(Br)o1)OCC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001858340	569056616	/nfs/dbraw/zinc/05/66/16/569056616.db2.gz	AQKFKOTVBMLDMS-UHFFFAOYSA-N	0	0	411.164	2.106	50	5		HEBARN
C[C@H]1Cc2ccccc2N1C(=O)COC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000006566312	569066324	/nfs/dbraw/zinc/06/63/24/569066324.db2.gz	SIZUGXLVZDGJGC-AWEZNQCLSA-N	0	0	411.414	2.236	50	5		HEBARN
COC(=O)c1cc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc(C(=O)OC)c1	ZINC000002064356	569072962	/nfs/dbraw/zinc/07/29/62/569072962.db2.gz	IYIPQSZIIWZOQW-UHFFFAOYSA-N	0	0	417.399	2.295	50	5		HEBARN
O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)C[C@@H]12)N1CCOCC1	ZINC000169681735	569127694	/nfs/dbraw/zinc/12/76/94/569127694.db2.gz	KOHGYYPVKTZBDC-IRLDBZIGSA-N	0	0	422.485	2.321	50	5		HEBARN
CN1CCN(S(=O)(=O)c2ccc(NCc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1	ZINC000036312774	569133006	/nfs/dbraw/zinc/13/30/06/569133006.db2.gz	GDFVWWMKTGVAQT-UHFFFAOYSA-N	0	0	408.455	2.282	50	5		HEBARN
Cc1nn(C)cc1C[C@H](C)NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ncnn21	ZINC000036619312	569210618	/nfs/dbraw/zinc/21/06/18/569210618.db2.gz	UAEGYKALRQZULM-LBPRGKRZSA-N	0	0	420.433	2.102	50	5		HEBARN
O=[N+]([O-])c1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1	ZINC000013784451	569257663	/nfs/dbraw/zinc/25/76/63/569257663.db2.gz	XCSXCEUGCMDZLM-UHFFFAOYSA-N	0	0	406.489	2.298	50	5		HEBARN
O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)c1	ZINC000089780835	569264168	/nfs/dbraw/zinc/26/41/68/569264168.db2.gz	MCWQMHONCXRWGM-UHFFFAOYSA-N	0	0	417.487	2.177	50	5		HEBARN
COC(=O)c1cc(C(=O)N[C@H](C)C2(N3CCOCC3)CCCC2)cc([N+](=O)[O-])c1	ZINC000078879191	569395614	/nfs/dbraw/zinc/39/56/14/569395614.db2.gz	DWVCJIRLOUZKMX-CQSZACIVSA-N	0	0	405.451	2.145	50	5		HEBARN
CN(C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000012634580	569402324	/nfs/dbraw/zinc/40/23/24/569402324.db2.gz	RYMRVRRZRWJBTB-LLVKDONJSA-N	0	0	409.386	2.061	50	5		HEBARN
COc1ccc(C(=O)COC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c(OC)c1	ZINC000013070948	569408512	/nfs/dbraw/zinc/40/85/12/569408512.db2.gz	QOBKMBVRJPHZCK-UHFFFAOYSA-N	0	0	423.399	2.055	50	5		HEBARN
CC(=O)c1ccc(N2CCN(C(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)CC2)cc1	ZINC000039969242	571135145	/nfs/dbraw/zinc/13/51/45/571135145.db2.gz	ACXZDNZRPWBLNL-UHFFFAOYSA-N	0	0	424.413	2.054	50	5		HEBARN
COC(=O)c1cc([N+](=O)[O-])cn(CC(=O)c2cc(C)n(-c3nccs3)c2C)c1=O	ZINC000040051886	571145536	/nfs/dbraw/zinc/14/55/36/571145536.db2.gz	JCXYBHXJBPMFAQ-UHFFFAOYSA-N	0	0	416.415	2.290	50	5		HEBARN
O=C(Cn1cc(C(F)(F)F)ccc1=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000009487083	571262528	/nfs/dbraw/zinc/26/25/28/571262528.db2.gz	VZEKYDCYOMDVQP-UHFFFAOYSA-N	0	0	414.292	2.385	50	5		HEBARN
O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)Nc2ncnc3c2cnn3-c2ccccc2)cc1	ZINC000009513353	571264496	/nfs/dbraw/zinc/26/44/96/571264496.db2.gz	PKEUIIZCHBNXIO-ROUUACIJSA-N	0	0	406.402	2.230	50	5		HEBARN
CCOc1ccc(NC(=O)COC(=O)c2ccc(NC(N)=O)cc2)c([N+](=O)[O-])c1	ZINC000009613187	571273882	/nfs/dbraw/zinc/27/38/82/571273882.db2.gz	BNWPIIUHYAUEJO-UHFFFAOYSA-N	0	0	402.363	2.280	50	5		HEBARN
COC[C@@H](C)NS(=O)(=O)c1ccc(Sc2nnc3ccccn32)c([N+](=O)[O-])c1	ZINC000009646082	571276460	/nfs/dbraw/zinc/27/64/60/571276460.db2.gz	OJARFZKFSULTTC-LLVKDONJSA-N	0	0	423.476	2.102	50	5		HEBARN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Nc1ccc2c(c1)OCCO2	ZINC000009662974	571277834	/nfs/dbraw/zinc/27/78/34/571277834.db2.gz	OJXVHGJTMWSSDS-UHFFFAOYSA-N	0	0	421.431	2.131	50	5		HEBARN
O=C(c1ccco1)N1CCN(c2ccc(N3C(=O)CCCC3=O)cc2[N+](=O)[O-])CC1	ZINC000004684524	132282997	/nfs/dbraw/zinc/28/29/97/132282997.db2.gz	HQOJHJYGPCSTMJ-UHFFFAOYSA-N	0	0	412.402	2.194	50	5		HEBARN
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1	ZINC000004688173	132283459	/nfs/dbraw/zinc/28/34/59/132283459.db2.gz	QVUBEUGIQCEZAV-UHFFFAOYSA-N	0	0	404.448	2.064	50	5		HEBARN
Cc1ccccc1C(=O)N1CCN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC1	ZINC000004703619	132284009	/nfs/dbraw/zinc/28/40/09/132284009.db2.gz	YNPICTBDGLUJCF-UHFFFAOYSA-N	0	0	409.446	2.056	50	5		HEBARN
O=C([C@@H]1CC(=O)N(C2CCCCC2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000004748879	132287204	/nfs/dbraw/zinc/28/72/04/132287204.db2.gz	CFEXYPFSZPVBLU-MRXNPFEDSA-N	0	0	400.479	2.425	50	5		HEBARN
C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)OCC(=O)N3CCOCC3)cc2[N+](=O)[O-])C1	ZINC000006043815	132308946	/nfs/dbraw/zinc/30/89/46/132308946.db2.gz	OCHCFEUBXWUVAD-HUUCEWRRSA-N	0	0	405.451	2.093	50	5		HEBARN
CC(C)[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O[C@H](C)C(=O)NC1CC1	ZINC000032910755	519798263	/nfs/dbraw/zinc/79/82/63/519798263.db2.gz	OTPFNDIDSBUOAT-MEBBXXQBSA-N	0	0	411.842	2.213	50	5		HEBARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)Cc1ccccc1	ZINC000031936955	521449497	/nfs/dbraw/zinc/44/94/97/521449497.db2.gz	HLBPPXKLFNRQFM-DAFNUICNSA-N	0	0	416.437	2.033	50	5		HEBARN
CNS(=O)(=O)Cc1ccc(CNC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])cc1	ZINC000031587638	522210719	/nfs/dbraw/zinc/21/07/19/522210719.db2.gz	LTXGQBWEBAKVHJ-UHFFFAOYSA-N	0	0	421.475	2.038	50	5		HEBARN
C[C@@H](OC(=O)Cn1cc(C(F)(F)F)ccc1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000010595198	557773388	/nfs/dbraw/zinc/77/33/88/557773388.db2.gz	GPDGLKFKJOWETH-SNVBAGLBSA-N	0	0	413.308	2.346	50	5		HEBARN
COc1cccc(N2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@H]3CS(=O)(=O)C[C@@H]32)c1	ZINC000004387472	558487893	/nfs/dbraw/zinc/48/78/93/558487893.db2.gz	KYJIKTKWAURKAV-IRXDYDNUSA-N	0	0	403.416	2.216	50	5		HEBARN
COc1cc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c(C)cc1[N+](=O)[O-]	ZINC000004476615	558597892	/nfs/dbraw/zinc/59/78/92/558597892.db2.gz	WIBHKBYVQRDCHS-HXUWFJFHSA-N	0	0	412.402	2.318	50	5		HEBARN
CCOC(=O)N1CCN(CC(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)CC1	ZINC000096817184	558992726	/nfs/dbraw/zinc/99/27/26/558992726.db2.gz	DITUKMFKYMTWSA-UHFFFAOYSA-N	0	0	424.457	2.362	50	5		HEBARN
CCOC(=O)c1ccsc1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000023074649	558998010	/nfs/dbraw/zinc/99/80/10/558998010.db2.gz	CBKAXXXGDTUGFR-UHFFFAOYSA-N	0	0	403.372	2.068	50	5		HEBARN
O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1	ZINC000023108114	559010845	/nfs/dbraw/zinc/01/08/45/559010845.db2.gz	JAPJWIDCIXREEC-SFHVURJKSA-N	0	0	409.439	2.086	50	5		HEBARN
C[C@H](NC(=O)/C=C\c1ccccc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000097990404	559011006	/nfs/dbraw/zinc/01/10/06/559011006.db2.gz	LCAVERBOYSYSMP-PJCWUCBCSA-N	0	0	408.458	2.462	50	5		HEBARN
COc1cc([N+](=O)[O-])ccc1NC(=S)N[C@H](NC=O)C(Cl)(Cl)Cl	ZINC000004774803	559056613	/nfs/dbraw/zinc/05/66/13/559056613.db2.gz	KDPFVXLMKQUYHT-VIFPVBQESA-N	0	0	401.659	2.332	50	5		HEBARN
N=c1c(C(=O)NC2CCCC2)cc2c(=O)n3ccccc3nc2n1Cc1ccco1	ZINC000100662615	559137585	/nfs/dbraw/zinc/13/75/85/559137585.db2.gz	PBXIRFQPBGQPOK-UHFFFAOYSA-N	0	0	403.442	2.442	50	5		HEBARN
C[C@@H](OC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C1CCCCC1	ZINC000011778415	559258994	/nfs/dbraw/zinc/25/89/94/559258994.db2.gz	ZGZYNHNXYNPUPN-UONOGXRCSA-N	0	0	405.451	2.436	50	5		HEBARN
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)c1	ZINC000005392616	560582938	/nfs/dbraw/zinc/58/29/38/560582938.db2.gz	JYXGQJFPAADIRI-UHFFFAOYSA-N	0	0	417.487	2.287	50	5		HEBARN
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1cccc([N+](=O)[O-])c1	ZINC000005407701	560584370	/nfs/dbraw/zinc/58/43/70/560584370.db2.gz	XCUPNCRPJBWQOD-INIZCTEOSA-N	0	0	406.464	2.040	50	5		HEBARN
COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C[C@@H](NC(C)=O)c1ccccc1	ZINC000004220370	560604369	/nfs/dbraw/zinc/60/43/69/560604369.db2.gz	XPFLOKFPFOYIJG-QGZVFWFLSA-N	0	0	415.402	2.353	50	5		HEBARN
CNc1ccc(C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1[N+](=O)[O-]	ZINC000018125868	560778755	/nfs/dbraw/zinc/77/87/55/560778755.db2.gz	BFWJOOWDMSGDKB-UHFFFAOYSA-N	0	0	415.425	2.172	50	5		HEBARN
CCNC(=O)c1cc2c(nc3ccccn3c2=O)n(CCc2ccc(OC)cc2)c1=N	ZINC000101262511	560789942	/nfs/dbraw/zinc/78/99/42/560789942.db2.gz	HFVHOXRGBVVBPV-UHFFFAOYSA-N	0	0	417.469	2.130	50	5		HEBARN
CCOC(=O)C1=C(N)N=C(OCC)[C@@H](C(=O)OCC)[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000101358227	560793250	/nfs/dbraw/zinc/79/32/50/560793250.db2.gz	ZLVUZXAWMQKQHC-HIFRSBDPSA-N	0	0	405.407	2.040	50	5		HEBARN
COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3N3CCCN23)cc1	ZINC000102684702	560821223	/nfs/dbraw/zinc/82/12/23/560821223.db2.gz	LFJYIJPHPSWGEJ-GUDVDZBRSA-N	0	0	408.414	2.139	50	5		HEBARN
COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(O)=C23)c(OC)c1	ZINC000103548753	560843076	/nfs/dbraw/zinc/84/30/76/560843076.db2.gz	BRJUXKBPZYTFHY-FUHWJXTLSA-N	0	0	411.370	2.213	50	5		HEBARN
Cn1c(=O)c2c(n(C)c1=O)N=C1c3ccccc3C(=O)[C@@H]1[C@@H]2c1cccc([N+](=O)[O-])c1	ZINC000000649630	568456644	/nfs/dbraw/zinc/45/66/44/568456644.db2.gz	AGRTXIWHJHQUKK-JKSUJKDBSA-N	0	0	416.393	2.071	50	5		HEBARN
CCS(=O)(=O)Nc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1	ZINC000024745935	568460914	/nfs/dbraw/zinc/46/09/14/568460914.db2.gz	MJOQXOVBEKLPQO-UHFFFAOYSA-N	0	0	418.475	2.319	50	5		HEBARN
COc1cc(Nc2cc(NCCO)c([N+](=O)[O-])c3nonc32)cc(OC)c1OC	ZINC000020108049	568588351	/nfs/dbraw/zinc/58/83/51/568588351.db2.gz	NSJGTNQVCRNGQC-UHFFFAOYSA-N	0	0	405.367	2.305	50	5		HEBARN
CCOc1ccc(Nc2nc(NCCCN3CCOCC3)nc(N)c2[N+](=O)[O-])cc1	ZINC000020289028	568597467	/nfs/dbraw/zinc/59/74/67/568597467.db2.gz	GPIPLJKEECCWLT-UHFFFAOYSA-N	0	0	417.470	2.244	50	5		HEBARN
COc1ccc(-c2cc(N)n(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)c(OC)c1	ZINC000020330701	568599466	/nfs/dbraw/zinc/59/94/66/568599466.db2.gz	ZFELJGKREPRSKV-UHFFFAOYSA-N	0	0	404.404	2.295	50	5		HEBARN
COc1ccccc1C(=O)N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3n2C)CC1	ZINC000020472723	568610592	/nfs/dbraw/zinc/61/05/92/568610592.db2.gz	VQNLCJMBWMYDFJ-UHFFFAOYSA-N	0	0	409.446	2.448	50	5		HEBARN
Cn1c2ccccc2c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c([N+](=O)[O-])c1=O	ZINC000020503029	568618373	/nfs/dbraw/zinc/61/83/73/568618373.db2.gz	SUTORUKTZRYGRM-UHFFFAOYSA-N	0	0	422.441	2.498	50	5		HEBARN
COc1cc(NC(=O)Cn2cnc3c(cnn3-c3ccccc3)c2=O)cc([N+](=O)[O-])c1	ZINC000020607370	568636132	/nfs/dbraw/zinc/63/61/32/568636132.db2.gz	VDEZQKDBERGEQL-UHFFFAOYSA-N	0	0	420.385	2.138	50	5		HEBARN
COc1ccc(N2C(=S)N(c3ccc([N+](=O)[O-])cc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000012421622	568720881	/nfs/dbraw/zinc/72/08/81/568720881.db2.gz	RCSJUGSZMPORPK-IRXDYDNUSA-N	0	0	419.484	2.381	50	5		HEBARN
CC(C)NC(=O)Cn1c2cc(Cl)ccc2c(=O)n(-c2cccc([N+](=O)[O-])c2)c1=O	ZINC000096317837	568724239	/nfs/dbraw/zinc/72/42/39/568724239.db2.gz	QSXDLLLKTGBIRJ-UHFFFAOYSA-N	0	0	416.821	2.239	50	5		HEBARN
CC(=O)Oc1ccc(/C=c2/sc3nc(-c4cccc([N+](=O)[O-])c4)nn3c2=O)cc1	ZINC000001087559	568768333	/nfs/dbraw/zinc/76/83/33/568768333.db2.gz	XVAAFBVYVBWNPD-CXUHLZMHSA-N	0	0	408.395	2.199	50	5		HEBARN
O=C(COc1ccccc1[N+](=O)[O-])NC(=S)Nc1ccccc1N1CCOCC1	ZINC000001113129	568770565	/nfs/dbraw/zinc/77/05/65/568770565.db2.gz	YVWZAQYDUBAGHQ-UHFFFAOYSA-N	0	0	416.459	2.323	50	5		HEBARN
Cn1nccc1N1CCC[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1	ZINC000225566296	568773971	/nfs/dbraw/zinc/77/39/71/568773971.db2.gz	YBJGEFVJLWZRQF-KRWDZBQOSA-N	0	0	412.494	2.330	50	5		HEBARN
C[C@@H](C[S@](C)=O)NC(=O)C(C)(C)Nc1ccc(Br)cc1[N+](=O)[O-]	ZINC000225734078	568780184	/nfs/dbraw/zinc/78/01/84/568780184.db2.gz	LENFCZIZRLCRFD-KLVQOETNSA-N	0	0	406.302	2.431	50	5		HEBARN
Cc1nn(C(=O)COc2ccccc2[N+](=O)[O-])c(C)c1S(=O)(=O)N1CCCCC1	ZINC000028297212	568784125	/nfs/dbraw/zinc/78/41/25/568784125.db2.gz	BUAOCHZTDATRLY-UHFFFAOYSA-N	0	0	422.463	2.302	50	5		HEBARN
O=C(C1=C2C(O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2CCCN12)c1ccccc1	ZINC000230045997	568804438	/nfs/dbraw/zinc/80/44/38/568804438.db2.gz	WZBGXKYTPCROJF-HCXYKTFWSA-N	0	0	405.410	2.430	50	5		HEBARN
O=[N+]([O-])c1ccc2[nH]c(CN(CCO)Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)nc2c1	ZINC000002779426	568807931	/nfs/dbraw/zinc/80/79/31/568807931.db2.gz	XVYCXGPPINXPFE-UHFFFAOYSA-N	0	0	411.378	2.250	50	5		HEBARN
CN(CCCC(=O)NCCc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000002862972	568813411	/nfs/dbraw/zinc/81/34/11/568813411.db2.gz	OMIKAEKFWKDIOE-UHFFFAOYSA-N	0	0	405.476	2.354	50	5		HEBARN
CCOC(=O)c1sc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c(C(=O)OCC)c1C	ZINC000002890876	568815120	/nfs/dbraw/zinc/81/51/20/568815120.db2.gz	BCIKEWQHDBVTLK-UHFFFAOYSA-N	0	0	410.408	2.153	50	5		HEBARN
Cc1c(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cccc1[N+](=O)[O-]	ZINC000001171450	568818793	/nfs/dbraw/zinc/81/87/93/568818793.db2.gz	VGLOXRFNLDGQEL-UHFFFAOYSA-N	0	0	405.432	2.176	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)CCc1c(C)nn(C)c1C	ZINC000029657098	568828562	/nfs/dbraw/zinc/82/85/62/568828562.db2.gz	QGFFMWUKLHPIQF-CYBMUJFWSA-N	0	0	404.423	2.457	50	5		HEBARN
Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCOCC1	ZINC000005942684	568831295	/nfs/dbraw/zinc/83/12/95/568831295.db2.gz	BNRQYJQAVKQTBK-UHFFFAOYSA-N	0	0	405.432	2.176	50	5		HEBARN
O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1[N+](=O)[O-]	ZINC000005981202	568834246	/nfs/dbraw/zinc/83/42/46/568834246.db2.gz	SKSWAEKCPXXCTP-UHFFFAOYSA-N	0	0	409.757	2.299	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc(OC)c(OC)cc1OC	ZINC000003242070	568866533	/nfs/dbraw/zinc/86/65/33/568866533.db2.gz	CZNGTAWXOWJDFJ-UHFFFAOYSA-N	0	0	420.374	2.425	50	5		HEBARN
O=C(COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1OC(F)F	ZINC000003452808	568905964	/nfs/dbraw/zinc/90/59/64/568905964.db2.gz	OAARCEYNKNKGNM-UHFFFAOYSA-N	0	0	423.328	2.108	50	5	aggregator	HEBARN
C[C@H](OC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000003529520	568912718	/nfs/dbraw/zinc/91/27/18/568912718.db2.gz	SURRNZNXKWRBKK-LBPRGKRZSA-N	0	0	422.397	2.435	50	5		HEBARN
CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12	ZINC000248379517	568917517	/nfs/dbraw/zinc/91/75/17/568917517.db2.gz	NBKPSVBOLWSLHR-NCXUSEDFSA-N	0	0	404.382	2.062	50	5		HEBARN
Cc1ccc(-n2ncc3c2ncn(CC(=O)Nc2ccc([N+](=O)[O-])cc2)c3=O)cc1	ZINC000004165825	568918974	/nfs/dbraw/zinc/91/89/74/568918974.db2.gz	ZULLAMAMRDSIFK-UHFFFAOYSA-N	0	0	404.386	2.438	50	5		HEBARN
O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCC[C@H]1c1nnc2ccccn21	ZINC000031499554	568927109	/nfs/dbraw/zinc/92/71/09/568927109.db2.gz	FNOXCPGWKJZPBO-KRWDZBQOSA-N	0	0	422.445	2.451	50	5		HEBARN
Cn1cnc([N+](=O)[O-])c1N1CCN([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1	ZINC000031792226	568931457	/nfs/dbraw/zinc/93/14/57/568931457.db2.gz	JANKNAPXUDMUCG-GOSISDBHSA-N	0	0	412.494	2.204	50	5		HEBARN
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)s1	ZINC000012768887	568949979	/nfs/dbraw/zinc/94/99/79/568949979.db2.gz	ZGQPRHVDXXGKMO-UHFFFAOYSA-N	0	0	409.489	2.420	50	5		HEBARN
CCCN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-]	ZINC000084755174	568958275	/nfs/dbraw/zinc/95/82/75/568958275.db2.gz	CJOJKEXESBRWJU-CYBMUJFWSA-N	0	0	410.452	2.052	50	5		HEBARN
COC(=O)COc1cccc2c1ccn(CC(=O)Nc1ccc([N+](=O)[O-])cc1)c2=O	ZINC000004292195	568959799	/nfs/dbraw/zinc/95/97/99/568959799.db2.gz	DVTHCUSLQKPDHU-UHFFFAOYSA-N	0	0	411.370	2.100	50	5		HEBARN
CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000012824441	569007985	/nfs/dbraw/zinc/00/79/85/569007985.db2.gz	ZULQCPNSUAMOKE-LLVKDONJSA-N	0	0	409.420	2.047	50	5		HEBARN
Cc1c(C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)cccc1[N+](=O)[O-]	ZINC000053776623	569032975	/nfs/dbraw/zinc/03/29/75/569032975.db2.gz	QJGNGJMGRYMWBB-UHFFFAOYSA-N	0	0	408.458	2.250	50	5		HEBARN
COc1ccc(CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])cc1	ZINC000035593270	569045535	/nfs/dbraw/zinc/04/55/35/569045535.db2.gz	ZISLWECTWWZGOZ-UHFFFAOYSA-N	0	0	420.491	2.152	50	5		HEBARN
Cc1nn(Cc2ccc(C(=O)N3NC=C[C@@]3(O)C(F)(F)F)o2)c(C)c1[N+](=O)[O-]	ZINC000006526488	569063229	/nfs/dbraw/zinc/06/32/29/569063229.db2.gz	MRKPHNLHQWCPTG-CQSZACIVSA-N	0	0	401.301	2.132	50	5		HEBARN
COc1ccc(C)cc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCCO	ZINC000006533052	569064291	/nfs/dbraw/zinc/06/42/91/569064291.db2.gz	YPXNSWNIIAKXGV-UHFFFAOYSA-N	0	0	403.391	2.112	50	5		HEBARN
NC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1	ZINC000006654548	569082835	/nfs/dbraw/zinc/08/28/35/569082835.db2.gz	WBHHBUBVTIAXMI-UHFFFAOYSA-N	0	0	412.402	2.089	50	5		HEBARN
CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000064819701	569102164	/nfs/dbraw/zinc/10/21/64/569102164.db2.gz	HAZACZQNQMAARI-KRWDZBQOSA-N	0	0	400.303	2.471	50	5		HEBARN
COC(=O)c1cc(C(=O)NCc2cc(OC)c(OC)cc2OC)cc([N+](=O)[O-])c1	ZINC000007274393	569231617	/nfs/dbraw/zinc/23/16/17/569231617.db2.gz	IUXXGRVXAGPBLE-UHFFFAOYSA-N	0	0	404.375	2.337	50	5		HEBARN
C[C@@](O)(CNC(=O)c1cccc([N+](=O)[O-])c1I)c1ccco1	ZINC000170595097	569241435	/nfs/dbraw/zinc/24/14/35/569241435.db2.gz	YAHHONFCYLPKKO-CQSZACIVSA-N	0	0	416.171	2.430	50	5		HEBARN
CC[C@@H](C)NC(=O)c1cnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)nc1OC	ZINC000037523649	569303621	/nfs/dbraw/zinc/30/36/21/569303621.db2.gz	CWGWXIQCGPUDGO-CQSZACIVSA-N	0	0	414.466	2.248	50	5		HEBARN
CNc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1[N+](=O)[O-]	ZINC000015206815	569320522	/nfs/dbraw/zinc/32/05/22/569320522.db2.gz	OVQZYYDBTPWQMY-UHFFFAOYSA-N	0	0	417.447	2.235	50	5		HEBARN
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3C=CC=NN3[C@H](C(=O)C(C)(C)C)[C@H]2C1=O	ZINC000253487785	569381712	/nfs/dbraw/zinc/38/17/12/569381712.db2.gz	QDGKZHNFOUFZDW-IWCQGFGOSA-N	0	0	410.430	2.232	50	5		HEBARN
COc1nonc1OCCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000055135417	569390282	/nfs/dbraw/zinc/39/02/82/569390282.db2.gz	PYXJQLAQBQQEME-UHFFFAOYSA-N	0	0	417.344	2.206	50	5		HEBARN
NC(=O)c1ccsc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1	ZINC000008825188	569390461	/nfs/dbraw/zinc/39/04/61/569390461.db2.gz	SGOBTBRHGGZAHB-UHFFFAOYSA-N	0	0	418.431	2.151	50	5		HEBARN
CC(C)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc[nH]n1	ZINC000079060799	569396591	/nfs/dbraw/zinc/39/65/91/569396591.db2.gz	RHBVZFQEHYZFJX-LLVKDONJSA-N	0	0	415.859	2.303	50	5		HEBARN
CN(C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000012634582	569402370	/nfs/dbraw/zinc/40/23/70/569402370.db2.gz	RYMRVRRZRWJBTB-NSHDSACASA-N	0	0	409.386	2.061	50	5		HEBARN
COc1ccc(-c2nc(CN3CCN(C(=O)[C@H]4C[C@H]4[N+](=O)[O-])CC3)cs2)cc1	ZINC000040115512	571173386	/nfs/dbraw/zinc/17/33/86/571173386.db2.gz	XJQKLSQTYIJUSU-DLBZAZTESA-N	0	0	402.476	2.128	50	5		HEBARN
Cn1c2c(c(-c3cccc([N+](=O)[O-])c3)n3c2[C@@H](c2ccco2)OCC3)c(=O)n(C)c1=O	ZINC000009058588	571217007	/nfs/dbraw/zinc/21/70/07/571217007.db2.gz	UTFWFYACGDSIBQ-LJQANCHMSA-N	0	0	422.397	2.327	50	5		HEBARN
O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@@H](c2nnc3n2CCC3)C1	ZINC000069810378	571245316	/nfs/dbraw/zinc/24/53/16/571245316.db2.gz	DKMKRRQCEOWKLL-OAHLLOKOSA-N	0	0	407.434	2.338	50	5		HEBARN
O=C(CSc1nc(=O)n(CCCO)c2c1CCCC2)Nc1ccc([N+](=O)[O-])cc1	ZINC000010275716	571299179	/nfs/dbraw/zinc/29/91/79/571299179.db2.gz	FDWDZFAYFHKVSH-UHFFFAOYSA-N	0	0	418.475	2.144	50	5		HEBARN
COc1ccc([C@H]2c3c(-c4ccc([N+](=O)[O-])cc4)n[nH]c(=O)c3Nc3nnnn32)cc1	ZINC000010296131	571299515	/nfs/dbraw/zinc/29/95/15/571299515.db2.gz	BDVUHDXCKXLURL-KRWDZBQOSA-N	0	0	418.373	2.447	50	5		HEBARN
COc1cccc(-c2n[nH]c(=O)c3c2[C@H](c2ccccc2[N+](=O)[O-])n2nnnc2N3)c1	ZINC000010296855	571299611	/nfs/dbraw/zinc/29/96/11/571299611.db2.gz	FZHXJFXGYIYWGD-KRWDZBQOSA-N	0	0	418.373	2.447	50	5		HEBARN
Cc1cc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-]	ZINC000010375297	571301483	/nfs/dbraw/zinc/30/14/83/571301483.db2.gz	IQGPJWFBWCMJOT-UHFFFAOYSA-N	0	0	403.460	2.486	50	5		HEBARN
CS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCCc3ccccc32)cc1[N+](=O)[O-]	ZINC000003537472	132266637	/nfs/dbraw/zinc/26/66/37/132266637.db2.gz	ASIFFORSFRBKPX-UHFFFAOYSA-N	0	0	418.427	2.135	50	5		HEBARN
O=C([C@H]1CC(=O)N(C2CCCCC2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000004748882	132287251	/nfs/dbraw/zinc/28/72/51/132287251.db2.gz	CFEXYPFSZPVBLU-INIZCTEOSA-N	0	0	400.479	2.425	50	5		HEBARN
C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)C(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000006533680	132311499	/nfs/dbraw/zinc/31/14/99/132311499.db2.gz	RPTHKUNWNOZKPK-ZDUSSCGKSA-N	0	0	414.418	2.198	50	5		HEBARN
Cc1cc(C(=O)Nc2ccccc2N2CCN(S(C)(=O)=O)CC2)ccc1[N+](=O)[O-]	ZINC000006792918	132316563	/nfs/dbraw/zinc/31/65/63/132316563.db2.gz	PFGZGYUVQLKDAI-UHFFFAOYSA-N	0	0	418.475	2.237	50	5		HEBARN
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(N3CCC[C@H](CO)C3)c([N+](=O)[O-])c2)C1	ZINC000008177917	132328351	/nfs/dbraw/zinc/32/83/51/132328351.db2.gz	GXIQHGJPCNMDLY-OAGGEKHMSA-N	0	0	411.524	2.470	50	5		HEBARN
CC(=O)c1ccc(N2CCN(Cc3cc(=O)n4ccccc4n3)CC2)c([N+](=O)[O-])c1	ZINC000012537905	132362291	/nfs/dbraw/zinc/36/22/91/132362291.db2.gz	NMQRZXJMARQSQH-UHFFFAOYSA-N	0	0	407.430	2.128	50	5		HEBARN
C[C@@H]1CN(CC(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c([N+](=O)[O-])c2)C[C@H](C)O1	ZINC000013102185	132454028	/nfs/dbraw/zinc/45/40/28/132454028.db2.gz	OVKBQVHTBUJAAS-GEEKYZPCSA-N	0	0	406.483	2.256	50	5		HEBARN
CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2	ZINC000032895649	523282374	/nfs/dbraw/zinc/28/23/74/523282374.db2.gz	VNJQFGSYCAIFCW-UHFFFAOYSA-N	0	0	422.415	2.306	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1N1C(=S)N(c2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]21	ZINC000012421646	525466864	/nfs/dbraw/zinc/46/68/64/525466864.db2.gz	UQOVSKOAXRVIDU-HOTGVXAUSA-N	0	0	419.484	2.381	50	5		HEBARN
O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000032102171	527140227	/nfs/dbraw/zinc/14/02/27/527140227.db2.gz	WPOJSMYKNYDWKZ-SFHVURJKSA-N	0	0	423.429	2.034	50	5		HEBARN
O=c1/c(=C\c2ccccc2[N+](=O)[O-])sc2nc([C@@H]3COc4ccccc4O3)nn12	ZINC000001128592	527433122	/nfs/dbraw/zinc/43/31/22/527433122.db2.gz	DTFDUCAYCHDZSA-WNLSXJKCSA-N	0	0	408.395	2.119	50	5		HEBARN
CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1	ZINC000010210376	535792158	/nfs/dbraw/zinc/79/21/58/535792158.db2.gz	CVDQDLYUUOJAHP-QWHCGFSZSA-N	0	0	406.439	2.222	50	5		HEBARN
COc1ccc(N2C(=O)c3cc([N+](=O)[O-])c(N4CCOCC4)cc3C2=O)c(OC)c1	ZINC000004686410	536665065	/nfs/dbraw/zinc/66/50/65/536665065.db2.gz	GYHJOGZUAQYABK-UHFFFAOYSA-N	0	0	413.386	2.249	50	5		HEBARN
CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN21	ZINC000229861332	557701343	/nfs/dbraw/zinc/70/13/43/557701343.db2.gz	NBKPSVBOLWSLHR-HCXYKTFWSA-N	0	0	404.382	2.062	50	5		HEBARN
CC[C@H](C)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C1=O	ZINC000229901411	558427156	/nfs/dbraw/zinc/42/71/56/558427156.db2.gz	FTULSNBLRBFGCO-SLSDUTBNSA-N	0	0	400.435	2.373	50	5		HEBARN
COc1ccccc1N1C(=O)N(c2cccc([N+](=O)[O-])c2)[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000004393691	558486029	/nfs/dbraw/zinc/48/60/29/558486029.db2.gz	UFXZDMMMVSOULU-CVEARBPZSA-N	0	0	403.416	2.216	50	5		HEBARN
COc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c(C)cc1[N+](=O)[O-]	ZINC000004476616	558597781	/nfs/dbraw/zinc/59/77/81/558597781.db2.gz	WIBHKBYVQRDCHS-FQEVSTJZSA-N	0	0	412.402	2.318	50	5		HEBARN
COC(=O)c1cc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)cc([N+](=O)[O-])c1	ZINC000032999985	558826515	/nfs/dbraw/zinc/82/65/15/558826515.db2.gz	KILXDRQSHBPXHC-MRXNPFEDSA-N	0	0	419.459	2.246	50	5		HEBARN
O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	ZINC000004590684	558829155	/nfs/dbraw/zinc/82/91/55/558829155.db2.gz	FACKTZFIIFHBED-CBOOSODOSA-N	0	0	406.398	2.021	50	5	biogenic	HEBARN
COC(=O)[C@](NNc1ccc([N+](=O)[O-])cc1)(NC(=O)c1ccccc1)C(F)(F)F	ZINC000004602995	558837518	/nfs/dbraw/zinc/83/75/18/558837518.db2.gz	XSBPFPDJRSUULA-MRXNPFEDSA-N	0	0	412.324	2.373	50	5		HEBARN
Cc1ccc(N2C(=O)[C@H]3[C@H]4O[C@@H]([C@H]3C2=O)[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NO[C@H]42)cc1	ZINC000013540440	558842320	/nfs/dbraw/zinc/84/23/20/558842320.db2.gz	YNTRSSRUMSYCTL-AEVHBADWSA-N	0	0	419.393	2.209	50	5		HEBARN
COc1ccc(NC(=O)[C@H](C)N2CCN(Cc3cc(C)no3)CC2)c([N+](=O)[O-])c1	ZINC000022254910	558986436	/nfs/dbraw/zinc/98/64/36/558986436.db2.gz	LNOLDYWCKAAOCK-AWEZNQCLSA-N	0	0	403.439	2.045	50	5		HEBARN
O=c1ccccn1CCNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-]	ZINC000097001910	558987576	/nfs/dbraw/zinc/98/75/76/558987576.db2.gz	XBAVYMSIFUQQJE-UHFFFAOYSA-N	0	0	406.464	2.043	50	5		HEBARN
C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1cccs1)N1CCOCC1	ZINC000023181851	559031638	/nfs/dbraw/zinc/03/16/38/559031638.db2.gz	OPCAHCFFZFPZLQ-CXAGYDPISA-N	0	0	411.505	2.397	50	5		HEBARN
CCc1ccc(-c2nnn(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)n2)cc1	ZINC000018614068	559068688	/nfs/dbraw/zinc/06/86/88/559068688.db2.gz	MJLWLMZPNXMCNU-UHFFFAOYSA-N	0	0	421.461	2.160	50	5		HEBARN
O=C(COC(=O)[C@@H]1CCCN1C(=O)c1cccs1)Nc1ccc([N+](=O)[O-])cc1	ZINC000004979645	559222667	/nfs/dbraw/zinc/22/26/67/559222667.db2.gz	ZAHHTUDZCMAERY-AWEZNQCLSA-N	0	0	403.416	2.443	50	5		HEBARN
Cc1ccc(N(C)C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1	ZINC000005013989	559227642	/nfs/dbraw/zinc/22/76/42/559227642.db2.gz	SCGVCIHBQIHKJJ-UHFFFAOYSA-N	0	0	418.475	2.466	50	5		HEBARN
C[C@H](OC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000005239763	560548922	/nfs/dbraw/zinc/54/89/22/560548922.db2.gz	OKVCUKYWXGJIKC-QWHCGFSZSA-N	0	0	401.375	2.107	50	5		HEBARN
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)c2cccs2)CC1	ZINC000003438234	560594748	/nfs/dbraw/zinc/59/47/48/560594748.db2.gz	DGGNIFYVVUPFIZ-VMPITWQZSA-N	0	0	407.473	2.203	50	5		HEBARN
COc1ccc(C2=NO[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(O)=C23)c(OC)c1	ZINC000104046698	560847884	/nfs/dbraw/zinc/84/78/84/560847884.db2.gz	CRTQVYUERQDKLA-FUHWJXTLSA-N	0	0	411.370	2.213	50	5		HEBARN
O=C(NCC1CC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(C(=O)c3ccco3)C[C@H]12	ZINC000104915507	560856459	/nfs/dbraw/zinc/85/64/59/560856459.db2.gz	GQFWLMZYDZSXQN-PKOBYXMFSA-N	0	0	424.457	2.217	50	5		HEBARN
Cn1c(=O)c2c(n(C)c1=O)N=C1c3ccccc3C(=O)[C@@H]1[C@@H]2c1ccccc1[N+](=O)[O-]	ZINC000000649636	568456834	/nfs/dbraw/zinc/45/68/34/568456834.db2.gz	PHSRBMIRXRLMSD-JKSUJKDBSA-N	0	0	416.393	2.071	50	5		HEBARN
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1	ZINC000000797270	568478592	/nfs/dbraw/zinc/47/85/92/568478592.db2.gz	CLVJKEOCFRTWBJ-UHFFFAOYSA-N	0	0	419.459	2.485	50	5		HEBARN
COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)cc1[N+](=O)[O-]	ZINC000020003089	568586272	/nfs/dbraw/zinc/58/62/72/568586272.db2.gz	RHLDMDPUIRIGKO-GFCCVEGCSA-N	0	0	403.420	2.224	50	5		HEBARN
COc1ccc(NC(=O)[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N2CCOCC2)cc1	ZINC000020108188	568588518	/nfs/dbraw/zinc/58/85/18/568588518.db2.gz	MAKIJFQAWSRXOP-LJQANCHMSA-N	0	0	415.402	2.344	50	5		HEBARN
Cc1ccccc1C(=O)NCCC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000095377623	568603303	/nfs/dbraw/zinc/60/33/03/568603303.db2.gz	HJIHWIFRKVFJGQ-UHFFFAOYSA-N	0	0	410.474	2.368	50	5		HEBARN
O=C(COC(=O)c1ccc([N+](=O)[O-])s1)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1	ZINC000021470320	568702962	/nfs/dbraw/zinc/70/29/62/568702962.db2.gz	BCWPTBKQGOQJBY-CYBMUJFWSA-N	0	0	422.440	2.157	50	5		HEBARN
O=C(NC(=S)Nc1ccc(C(=O)N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000000870310	568726034	/nfs/dbraw/zinc/72/60/34/568726034.db2.gz	MITCJQMHLRVRDH-UHFFFAOYSA-N	0	0	414.443	2.194	50	5		HEBARN
O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCN(Cc2ccccc2)CC1	ZINC000025266630	568761222	/nfs/dbraw/zinc/76/12/22/568761222.db2.gz	SMMSSAQXPQNOSS-UHFFFAOYSA-N	0	0	410.474	2.389	50	5		HEBARN
O=C(NCCNc1ccccc1[N+](=O)[O-])c1sccc1S(=O)(=O)N1CCCC1	ZINC000025321665	568763849	/nfs/dbraw/zinc/76/38/49/568763849.db2.gz	JHCJGPQPHRIYNT-UHFFFAOYSA-N	0	0	424.504	2.283	50	5		HEBARN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	ZINC000001059850	568765029	/nfs/dbraw/zinc/76/50/29/568765029.db2.gz	DHTNFEARFNSHMT-UHFFFAOYSA-N	0	0	407.404	2.037	50	5		HEBARN
COc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1OC	ZINC000001132150	568773304	/nfs/dbraw/zinc/77/33/04/568773304.db2.gz	IVZMSPLESPRJFH-UHFFFAOYSA-N	0	0	409.420	2.017	50	5		HEBARN
Cn1nccc1N1CCC[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1	ZINC000225566265	568774010	/nfs/dbraw/zinc/77/40/10/568774010.db2.gz	YBJGEFVJLWZRQF-QGZVFWFLSA-N	0	0	412.494	2.330	50	5		HEBARN
CNc1ccc(C(=O)c2ccccc2C(=O)N2CCC(C(N)=O)CC2)cc1[N+](=O)[O-]	ZINC000028273638	568783809	/nfs/dbraw/zinc/78/38/09/568783809.db2.gz	ANZNUQRLVKPVGD-UHFFFAOYSA-N	0	0	410.430	2.205	50	5		HEBARN
O=C(COC(=O)CNC(=O)c1ccccc1)Nc1nc2ccc([N+](=O)[O-])cc2s1	ZINC000002641501	568793868	/nfs/dbraw/zinc/79/38/68/568793868.db2.gz	WTEHFRYUYNPVTI-UHFFFAOYSA-N	0	0	414.399	2.116	50	5		HEBARN
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(C)c1	ZINC000002830523	568812519	/nfs/dbraw/zinc/81/25/19/568812519.db2.gz	AAEKMAFOOUIJBL-UHFFFAOYSA-N	0	0	403.460	2.358	50	5		HEBARN
COC(=O)c1cc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc([N+](=O)[O-])c1	ZINC000015197307	568818750	/nfs/dbraw/zinc/81/87/50/568818750.db2.gz	VZSZSEZSNKVVIZ-NSHDSACASA-N	0	0	406.416	2.276	50	5		HEBARN
C[C@@H]1CN(C(=S)S[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)C[C@@H](C)O1	ZINC000227003804	568826917	/nfs/dbraw/zinc/82/69/17/568826917.db2.gz	PAXVYQBQXSRDCW-GYSYKLTISA-N	0	0	409.489	2.354	50	5		HEBARN
C[C@H](OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2ccccc21	ZINC000005957045	568832192	/nfs/dbraw/zinc/83/21/92/568832192.db2.gz	VPRZOIANXSPBLK-AWEZNQCLSA-N	0	0	411.414	2.236	50	5		HEBARN
COC(=O)[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)c1cc(F)ccc1F	ZINC000058316792	568911007	/nfs/dbraw/zinc/91/10/07/568911007.db2.gz	JTGFYYSFFJQIRC-HNNXBMFYSA-N	0	0	416.358	2.074	50	5		HEBARN
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1	ZINC000003556626	568915250	/nfs/dbraw/zinc/91/52/50/568915250.db2.gz	OLALFGREOGVBMU-UHFFFAOYSA-N	0	0	403.460	2.358	50	5		HEBARN
CSc1ccc(S(=O)(=O)NCC(=O)OCc2ccc(F)cc2)cc1[N+](=O)[O-]	ZINC000007974684	568959793	/nfs/dbraw/zinc/95/97/93/568959793.db2.gz	JLGCWLWLSXVBIN-UHFFFAOYSA-N	0	0	414.436	2.478	50	5		HEBARN
COC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN21	ZINC000229859810	568960807	/nfs/dbraw/zinc/96/08/07/568960807.db2.gz	RLECGFLZYIEZDY-RDGPPVDQSA-N	0	0	419.393	2.283	50	5		HEBARN
C[C@H](OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000012823259	569006769	/nfs/dbraw/zinc/00/67/69/569006769.db2.gz	VULZGFVEYAFKTQ-RYUDHWBXSA-N	0	0	411.370	2.150	50	5		HEBARN
COc1cccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCS(=O)(=O)C2)c1	ZINC000015952835	569024522	/nfs/dbraw/zinc/02/45/22/569024522.db2.gz	AOFFKEBYYJFTTO-QGZVFWFLSA-N	0	0	404.444	2.433	50	5		HEBARN
CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C2CCCCCC2)c([N+](=O)[O-])c1	ZINC000012943896	569028865	/nfs/dbraw/zinc/02/88/65/569028865.db2.gz	ZTTYIAQNAYKICR-UHFFFAOYSA-N	0	0	419.525	2.188	50	5		HEBARN
COc1cc(CCNC(=O)C[C@H](C)NC(=O)c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000016143917	569029386	/nfs/dbraw/zinc/02/93/86/569029386.db2.gz	HFKVLFCNUXHWFE-AWEZNQCLSA-N	0	0	415.446	2.479	50	5		HEBARN
CC(C)[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000006190734	569031131	/nfs/dbraw/zinc/03/11/31/569031131.db2.gz	LEMBHFQBKUHQLH-MRXNPFEDSA-N	0	0	422.419	2.445	50	5		HEBARN
O=C1N[C@]2(CCc3ccccc3C2)C(=O)N1Cc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000006829789	569144108	/nfs/dbraw/zinc/14/41/08/569144108.db2.gz	HDLOIHOSCMRFQP-NRFANRHFSA-N	0	0	409.398	2.441	50	5		HEBARN
CN1CCN(S(=O)(=O)c2ccc(NCc3ccccc3F)c([N+](=O)[O-])c2)CC1	ZINC000036446846	569185104	/nfs/dbraw/zinc/18/51/04/569185104.db2.gz	IFULYZVOFWRFKS-UHFFFAOYSA-N	0	0	408.455	2.282	50	5		HEBARN
COC(=O)c1cc(CNC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1OC	ZINC000006970595	569190822	/nfs/dbraw/zinc/19/08/22/569190822.db2.gz	NWNBQOSPEXHWAC-UHFFFAOYSA-N	0	0	404.375	2.337	50	5		HEBARN
C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(=O)Nc1cc(F)ccc1F	ZINC000007204857	569228643	/nfs/dbraw/zinc/22/86/43/569228643.db2.gz	VIANPSASWPCTCJ-JTQLQIEISA-N	0	0	409.345	2.461	50	5		HEBARN
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCc1ccc(-n2cccn2)cc1	ZINC000007254054	569230514	/nfs/dbraw/zinc/23/05/14/569230514.db2.gz	KPJWCPRXWHTRAY-UHFFFAOYSA-N	0	0	406.354	2.120	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O	ZINC000239309806	569232469	/nfs/dbraw/zinc/23/24/69/569232469.db2.gz	HWDKDHPEMRUKBZ-ZWKOPEQDSA-N	0	0	407.810	2.448	50	5		HEBARN
Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1C(=O)N1CCC(C(N)=O)CC1	ZINC000027299095	569293060	/nfs/dbraw/zinc/29/30/60/569293060.db2.gz	BGBKOTWMLKOBMF-UHFFFAOYSA-N	0	0	410.430	2.493	50	5		HEBARN
O=c1nc2ccc(Cl)cn2c2cc(Cl)c(S(=O)(=O)N3CCOCC3)cc12	ZINC000012375253	569381850	/nfs/dbraw/zinc/38/18/50/569381850.db2.gz	SUFUPWXQYFJWKA-UHFFFAOYSA-N	0	0	414.270	2.175	50	5		HEBARN
O=C([C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCCC1	ZINC000012799507	569403663	/nfs/dbraw/zinc/40/36/63/569403663.db2.gz	VHJDURDOHRBMIO-LJQANCHMSA-N	0	0	415.471	2.333	50	5		HEBARN
COCCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)cc1	ZINC000012988350	569406057	/nfs/dbraw/zinc/40/60/57/569406057.db2.gz	PTYVECKTVAYLNG-CYBMUJFWSA-N	0	0	408.432	2.438	50	5		HEBARN
Cc1ccc(OCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1	ZINC000013149836	569409998	/nfs/dbraw/zinc/40/99/98/569409998.db2.gz	FZHRXCYOIXHCLG-UHFFFAOYSA-N	0	0	422.459	2.382	50	5		HEBARN
CCOC(=O)c1cc(C(=O)Nc2ccc(-n3c(=O)[nH][nH]c3=O)cc2)cc([N+](=O)[O-])c1	ZINC000328591949	569415177	/nfs/dbraw/zinc/41/51/77/569415177.db2.gz	HAUYZVXAXDKPMS-UHFFFAOYSA-N	0	0	413.346	2.016	50	5		HEBARN
O=[N+]([O-])c1ccccc1CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000019888750	569433186	/nfs/dbraw/zinc/43/31/86/569433186.db2.gz	MCIBWJQVVPPHBA-UHFFFAOYSA-N	0	0	406.420	2.010	50	5		HEBARN
COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)Cn1nc(C)c([N+](=O)[O-])c1C	ZINC000008517307	571067785	/nfs/dbraw/zinc/06/77/85/571067785.db2.gz	OAMNTLQQOMAFAF-UHFFFAOYSA-N	0	0	409.830	2.167	50	5		HEBARN
NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)N(Cc2ccccc2)Cc2ccccc2)c1=O	ZINC000040050061	571143947	/nfs/dbraw/zinc/14/39/47/571143947.db2.gz	HJFYNPPMZIFJMY-UHFFFAOYSA-N	0	0	420.425	2.084	50	5		HEBARN
CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000040114820	571172496	/nfs/dbraw/zinc/17/24/96/571172496.db2.gz	BESCTAVNROOUCL-CRAIPNDOSA-N	0	0	424.523	2.311	50	5		HEBARN
Cc1ccc(N2C(=O)[C@H]3[C@H]4O[C@@H]([C@H]3C2=O)[C@@H]2C(c3cccc([N+](=O)[O-])c3)=NO[C@H]42)cc1	ZINC000009267066	571244202	/nfs/dbraw/zinc/24/42/02/571244202.db2.gz	HQPFZCOCKIJOOR-AEVHBADWSA-N	0	0	419.393	2.209	50	5		HEBARN
Cc1nn(CC(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)c1[N+](=O)[O-]	ZINC000009315557	571247412	/nfs/dbraw/zinc/24/74/12/571247412.db2.gz	VJDYFRKHIYPQEF-UHFFFAOYSA-N	0	0	402.323	2.110	50	5		HEBARN
C[C@]12CCC(=O)N1[C@@H](C(=O)OCc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CS2	ZINC000009441252	571259202	/nfs/dbraw/zinc/25/92/02/571259202.db2.gz	JTZDZAHNXCYRJX-PXAZEXFGSA-N	0	0	404.404	2.142	50	5		HEBARN
CCOc1ccccc1C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000009932873	571290954	/nfs/dbraw/zinc/29/09/54/571290954.db2.gz	UWTYPBUSGWWQJN-UHFFFAOYSA-N	0	0	407.448	2.239	50	5		HEBARN
COc1cc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc(OC)c1	ZINC000009963982	571293081	/nfs/dbraw/zinc/29/30/81/571293081.db2.gz	IMZSHJKKVSUIGB-UHFFFAOYSA-N	0	0	423.447	2.377	50	5		HEBARN
O=c1[nH]nc(-c2ccc([N+](=O)[O-])cc2)c2c1Nc1nnnn1[C@@H]2c1cccc(O)c1	ZINC000010296408	571299514	/nfs/dbraw/zinc/29/95/14/571299514.db2.gz	CDOWBHQHMKLAMN-MRXNPFEDSA-N	0	0	404.346	2.144	50	5		HEBARN
O=c1/c(=C/c2cccc(Cl)c2)sc2n1CN(c1cccc([N+](=O)[O-])c1)CN=2	ZINC000013712045	132458980	/nfs/dbraw/zinc/45/89/80/132458980.db2.gz	NPXYPCMQYMHOQI-PXNMLYILSA-N	0	0	400.847	2.355	50	5		HEBARN
CCOC(=O)C1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1	ZINC000008147408	520585591	/nfs/dbraw/zinc/58/55/91/520585591.db2.gz	MLXUCHJVMFXYCT-UHFFFAOYSA-N	0	0	413.496	2.405	50	5		HEBARN
CS(=O)(=O)NC1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000032829228	525190250	/nfs/dbraw/zinc/19/02/50/525190250.db2.gz	KBVGBJXNFNDYBW-UHFFFAOYSA-N	0	0	412.346	2.040	50	5		HEBARN
O=C(c1ccccc1Cl)N1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1	ZINC000032743332	526802489	/nfs/dbraw/zinc/80/24/89/526802489.db2.gz	DLLSNLOIOLXEQS-MRXNPFEDSA-N	0	0	419.865	2.446	50	5		HEBARN
CN1CCN([C@H](C(=O)NC2CCCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1	ZINC000002457501	557835255	/nfs/dbraw/zinc/83/52/55/557835255.db2.gz	LTNZXJWERHBZKQ-IBGZPJMESA-N	0	0	404.467	2.061	50	5		HEBARN
CCN1CCN([C@H](C(=O)NC2CCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1	ZINC000002457545	557837236	/nfs/dbraw/zinc/83/72/36/557837236.db2.gz	CLNSJUAXABWTBX-IBGZPJMESA-N	0	0	404.467	2.061	50	5		HEBARN
COc1cccc(N2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@H]3CS(=O)(=O)C[C@H]32)c1	ZINC000004387471	558487928	/nfs/dbraw/zinc/48/79/28/558487928.db2.gz	KYJIKTKWAURKAV-DLBZAZTESA-N	0	0	403.416	2.216	50	5		HEBARN
CCCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000004505356	558616259	/nfs/dbraw/zinc/61/62/59/558616259.db2.gz	HZSGIVRHWDXNRT-LLVKDONJSA-N	0	0	410.901	2.226	50	5		HEBARN
CCN(CC)S(=O)(=O)c1ccc(N2CCC[C@@H](C3OCCO3)C2)c([N+](=O)[O-])c1	ZINC000060362990	558888251	/nfs/dbraw/zinc/88/82/51/558888251.db2.gz	GULSPCLKDAXMOV-CQSZACIVSA-N	0	0	413.496	2.215	50	5		HEBARN
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@H](C)C(=O)N(C)C1CCCCC1	ZINC000023055039	558994492	/nfs/dbraw/zinc/99/44/92/558994492.db2.gz	ZGZYNHNXYNPUPN-ZIAGYGMSSA-N	0	0	405.451	2.436	50	5		HEBARN
O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1	ZINC000023108122	559010814	/nfs/dbraw/zinc/01/08/14/559010814.db2.gz	XMAVTLMXOZNKTD-QGZVFWFLSA-N	0	0	409.439	2.086	50	5		HEBARN
N=c1c(C(=O)NC[C@@H]2CCCO2)cc2c(=O)n3ccccc3nc2n1C1CCCC1	ZINC000100622915	559137041	/nfs/dbraw/zinc/13/70/41/559137041.db2.gz	JQEAVWONIQJLNL-HNNXBMFYSA-N	0	0	407.474	2.153	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C(=O)[C@@H]2CC=C(Cl)C[C@@H]2C1=O	ZINC000100275623	559190570	/nfs/dbraw/zinc/19/05/70/559190570.db2.gz	HWDKDHPEMRUKBZ-BIMULSAOSA-N	0	0	407.810	2.448	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCC1=CCCCC1)S(C)(=O)=O	ZINC000005051112	559237325	/nfs/dbraw/zinc/23/73/25/559237325.db2.gz	WOSKGQULRMJSLG-UHFFFAOYSA-N	0	0	411.480	2.376	50	5		HEBARN
CCN(CC)S(=O)(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000024356669	560628658	/nfs/dbraw/zinc/62/86/58/560628658.db2.gz	XRDMAGAOWBTJEM-UHFFFAOYSA-N	0	0	410.418	2.322	50	5		HEBARN
O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000005636389	560635627	/nfs/dbraw/zinc/63/56/27/560635627.db2.gz	WTNUFUMRCHSBDO-UHFFFAOYSA-N	0	0	405.432	2.397	50	5		HEBARN
COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]23)cc1OC	ZINC000101362111	560792718	/nfs/dbraw/zinc/79/27/18/560792718.db2.gz	YJXOSFDDGICVCQ-SJLPKXTDSA-N	0	0	411.370	2.213	50	5		HEBARN
O=C(C1=C2C(O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2C=CC=NN12)c1ccccc1	ZINC000103523392	560842985	/nfs/dbraw/zinc/84/29/85/560842985.db2.gz	FLBVUNVQDLPVID-MKXGPGLRSA-N	0	0	416.393	2.192	50	5		HEBARN
O=C1NCCCC[C@H]1Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-]	ZINC000048302502	568437660	/nfs/dbraw/zinc/43/76/60/568437660.db2.gz	SEZOPZHAEABBMY-MRXNPFEDSA-N	0	0	410.496	2.240	50	5		HEBARN
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000000674393	568460724	/nfs/dbraw/zinc/46/07/24/568460724.db2.gz	SNSQKUDWSQXXNK-UHFFFAOYSA-N	0	0	405.432	2.397	50	5		HEBARN
CCOC(=O)c1cc(C(=O)Nc2ccccc2NS(C)(=O)=O)cc([N+](=O)[O-])c1	ZINC000024887163	568476044	/nfs/dbraw/zinc/47/60/44/568476044.db2.gz	AXHLNTLDEKGJBP-UHFFFAOYSA-N	0	0	407.404	2.395	50	5		HEBARN
Cn1nc(-c2ccc(NCCN3CCOCC3)c([N+](=O)[O-])c2)c2ccccc2c1=O	ZINC000019928837	568585993	/nfs/dbraw/zinc/58/59/93/568585993.db2.gz	SUBYEDDRMAWUID-UHFFFAOYSA-N	0	0	409.446	2.253	50	5		HEBARN
Cn1c(=O)c2ccccc2nc1CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-]	ZINC000095467618	568624795	/nfs/dbraw/zinc/62/47/95/568624795.db2.gz	VVOKOVCRSUPKLR-UHFFFAOYSA-N	0	0	424.385	2.450	50	5		HEBARN
COc1ccc([C@@H]2N(C(C)=O)CCN2S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000095471432	568626605	/nfs/dbraw/zinc/62/66/05/568626605.db2.gz	SJSRVTJFSXZMIS-LJQANCHMSA-N	0	0	419.459	2.463	50	5		HEBARN
O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(N[C@H]2CCCCNC2=O)c([N+](=O)[O-])c1	ZINC000020738601	568641163	/nfs/dbraw/zinc/64/11/63/568641163.db2.gz	VCCBHTUWNVRCPQ-DZKIICNBSA-N	0	0	400.435	2.355	50	5		HEBARN
Cc1ccc(OCC(=O)OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000025021882	568725481	/nfs/dbraw/zinc/72/54/81/568725481.db2.gz	KDEXTFOWLNZPDE-UHFFFAOYSA-N	0	0	413.430	2.174	50	5		HEBARN
O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000000893229	568740650	/nfs/dbraw/zinc/74/06/50/568740650.db2.gz	YCNWWRBGZNKTHN-UHFFFAOYSA-N	0	0	409.851	2.395	50	5		HEBARN
O=[N+]([O-])c1cccc(-c2csc(N3CCN(S(=O)(=O)N4CCCC4)CC3)n2)c1	ZINC000015108940	568756375	/nfs/dbraw/zinc/75/63/75/568756375.db2.gz	HWPKIQQUHXTPQI-UHFFFAOYSA-N	0	0	423.520	2.181	50	5		HEBARN
Cc1cc(=O)oc2ccc(OC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc12	ZINC000001056245	568764389	/nfs/dbraw/zinc/76/43/89/568764389.db2.gz	HYOAJBBEDIIISN-UHFFFAOYSA-N	0	0	408.322	2.211	50	5		HEBARN
CCn1cc(NC(=O)c2ccc(Cn3cc(Cl)c([N+](=O)[O-])n3)cc2)c(C(N)=O)n1	ZINC000002809572	568812014	/nfs/dbraw/zinc/81/20/14/568812014.db2.gz	QBOUMQKUCAAXQX-UHFFFAOYSA-N	0	0	417.813	2.061	50	5		HEBARN
COCCN(CCOC)c1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-]	ZINC000015206909	568818753	/nfs/dbraw/zinc/81/87/53/568818753.db2.gz	MRRGPWZAXMQJEP-UHFFFAOYSA-N	0	0	415.512	2.259	50	5		HEBARN
Cn1cnc([N+](=O)[O-])c1N1CCN(CCCc2nc(-c3cccs3)no2)CC1	ZINC000029822818	568836465	/nfs/dbraw/zinc/83/64/65/568836465.db2.gz	GFONSRZXSQEKDD-UHFFFAOYSA-N	0	0	403.468	2.195	50	5		HEBARN
O=C(c1ccc(S(=O)(=O)Cc2cccc(F)c2)c([N+](=O)[O-])c1)N1CCOCC1	ZINC000003017446	568838663	/nfs/dbraw/zinc/83/86/63/568838663.db2.gz	BTTJLVPQVCSNNY-UHFFFAOYSA-N	0	0	408.407	2.180	50	5		HEBARN
COC(=O)c1sc2nc(SCc3cccc([N+](=O)[O-])c3)n(N)c(=O)c2c1C	ZINC000003018536	568838912	/nfs/dbraw/zinc/83/89/12/568838912.db2.gz	OFQBDDHIDBLOMA-UHFFFAOYSA-N	0	0	406.445	2.467	50	5		HEBARN
O=C(NN1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c32)C1=O)c1ccc(O)cc1	ZINC000003067054	568852654	/nfs/dbraw/zinc/85/26/54/568852654.db2.gz	YUHLBLUUVGHOCP-UHFFFAOYSA-N	0	0	422.309	2.303	50	5		HEBARN
CC(C)CN(CC(C)C)C(=O)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	ZINC000003297910	568875593	/nfs/dbraw/zinc/87/55/93/568875593.db2.gz	HWJQZAYZYGYSSE-UHFFFAOYSA-N	0	0	414.480	2.296	50	5		HEBARN
COc1ccc(CNC(=O)COC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1OC	ZINC000003441993	568903907	/nfs/dbraw/zinc/90/39/07/568903907.db2.gz	JBIUTTFTBKWCAX-UHFFFAOYSA-N	0	0	404.375	2.094	50	5		HEBARN
Cc1nn(CCCC(=O)n2cc(I)cn2)c(C)c1[N+](=O)[O-]	ZINC000001431342	568940325	/nfs/dbraw/zinc/94/03/25/568940325.db2.gz	GHWSLQWAXGDTQG-UHFFFAOYSA-N	0	0	403.180	2.330	50	5		HEBARN
COC(=O)c1sc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c(C(=O)OC)c1C	ZINC000012773247	568952789	/nfs/dbraw/zinc/95/27/89/568952789.db2.gz	DWJPFBAWORPEIG-UHFFFAOYSA-N	0	0	424.435	2.380	50	5		HEBARN
O=[N+]([O-])c1ccc(OCC(O)COc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1	ZINC000008386976	568996149	/nfs/dbraw/zinc/99/61/49/568996149.db2.gz	ZXMFUSPKAIXFLV-UHFFFAOYSA-N	0	0	424.278	2.138	50	5		HEBARN
Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c([N+](=O)[O-])n1	ZINC000006094810	569001114	/nfs/dbraw/zinc/00/11/14/569001114.db2.gz	BTKKXDVCFQHAIW-UHFFFAOYSA-N	0	0	420.447	2.100	50	5		HEBARN
COc1ccc(C(=O)NCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1OC	ZINC000035166629	569001571	/nfs/dbraw/zinc/00/15/71/569001571.db2.gz	FYRFTLDLTPGMPS-UHFFFAOYSA-N	0	0	400.435	2.122	50	5		HEBARN
CC[C@@H](C)n1c(=N)c(C(=O)NCc2cccnc2)cc2c1nc1ccccn1c2=O	ZINC000100628117	569009761	/nfs/dbraw/zinc/00/97/61/569009761.db2.gz	XMHMNTODNCVQMP-CQSZACIVSA-N	0	0	402.458	2.425	50	5		HEBARN
COCCn1c(=N)c(C(=O)NCc2ccccc2)cc2c1nc1c(C)cccn1c2=O	ZINC000100627910	569009792	/nfs/dbraw/zinc/00/97/92/569009792.db2.gz	OBWJIJMITBQPHF-UHFFFAOYSA-N	0	0	417.469	2.013	50	5		HEBARN
NC(=O)c1ccc(SCC(=O)OCC(=O)NCC2CCCCC2)c([N+](=O)[O-])c1	ZINC000012853715	569010821	/nfs/dbraw/zinc/01/08/21/569010821.db2.gz	HTYBYJDSHWTWDR-UHFFFAOYSA-N	0	0	409.464	2.026	50	5		HEBARN
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCNC1=NS(=O)(=O)c2ccccc21	ZINC000012903898	569021023	/nfs/dbraw/zinc/02/10/23/569021023.db2.gz	MHGNXQKBOUVMBM-CYBMUJFWSA-N	0	0	416.459	2.243	50	5		HEBARN
Cc1ccc(N2C[C@@H](C(=O)NC[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1F	ZINC000012918817	569022775	/nfs/dbraw/zinc/02/27/75/569022775.db2.gz	VKRHTOIYMKUYQZ-KSSFIOAISA-N	0	0	401.394	2.245	50	5		HEBARN
COc1cc(C(=O)N2CCN(C(=O)c3ccccc3F)CC2)c([N+](=O)[O-])cc1OC	ZINC000012949282	569029360	/nfs/dbraw/zinc/02/93/60/569029360.db2.gz	DKQJMWYNJLECJU-UHFFFAOYSA-N	0	0	417.393	2.349	50	5		HEBARN
CCc1cc(NC[C@@H](Cc2cnn(C)c2)C(N)=O)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000089282899	569057210	/nfs/dbraw/zinc/05/72/10/569057210.db2.gz	CIQUULPWVZTXNE-OAHLLOKOSA-N	0	0	409.450	2.104	50	5		HEBARN
Nc1nc(NCc2ccco2)nc(N2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-]	ZINC000054147611	569059870	/nfs/dbraw/zinc/05/98/70/569059870.db2.gz	IOUDELVITWLHKX-UHFFFAOYSA-N	0	0	409.450	2.494	50	5		HEBARN
Cc1nn(CC(=O)n2nc(C)c([N+](=O)[O-])c2C)c(C)c1I	ZINC000006668608	569086359	/nfs/dbraw/zinc/08/63/59/569086359.db2.gz	PCHADVLBFKODGW-UHFFFAOYSA-N	0	0	403.180	2.166	50	5		HEBARN
COc1ccc(Cn2ccc3nc4ccn(-c5nnc(C)[nH]5)c(=O)c4cc3c2=O)cc1	ZINC000036125568	569095646	/nfs/dbraw/zinc/09/56/46/569095646.db2.gz	LWKBIRXGIPSBAN-UHFFFAOYSA-N	0	0	414.425	2.184	50	5		HEBARN
Cc1csc(Sc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])n1	ZINC000036329885	569139361	/nfs/dbraw/zinc/13/93/61/569139361.db2.gz	KEQXZZCBSCWZCJ-UHFFFAOYSA-N	0	0	414.534	2.447	50	5		HEBARN
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1	ZINC000007006585	569199397	/nfs/dbraw/zinc/19/93/97/569199397.db2.gz	BPRJPESSDSTLIW-LLVKDONJSA-N	0	0	401.350	2.497	50	5		HEBARN
O=C(c1ccco1)N1CCC(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1	ZINC000007452003	569239504	/nfs/dbraw/zinc/23/95/04/569239504.db2.gz	HFACFQPVKGAWGP-UHFFFAOYSA-N	0	0	412.446	2.389	50	5		HEBARN
O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N[C@H](CO)Cc1ccccn1	ZINC000170610818	569245484	/nfs/dbraw/zinc/24/54/84/569245484.db2.gz	JTNVESZHZUGNBA-NSHDSACASA-N	0	0	405.354	2.299	50	5		HEBARN
COc1ccc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)cc1[N+](=O)[O-]	ZINC000009882352	569251329	/nfs/dbraw/zinc/25/13/29/569251329.db2.gz	CZBWYNIHAFYRBZ-UHFFFAOYSA-N	0	0	409.420	2.115	50	5		HEBARN
CN1CCN(n2c(=O)nc(SCc3cccc([N+](=O)[O-])c3)c3c2CCCC3)CC1	ZINC000010255210	569254114	/nfs/dbraw/zinc/25/41/14/569254114.db2.gz	OZUSIMPBYGXQNR-UHFFFAOYSA-N	0	0	415.519	2.206	50	5		HEBARN
Cc1ccc(C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1[N+](=O)[O-]	ZINC000016964574	569268764	/nfs/dbraw/zinc/26/87/64/569268764.db2.gz	BHLNUIVHLRZMIW-LJQANCHMSA-N	0	0	411.414	2.170	50	5		HEBARN
COCCn1c(=N)c(C(=O)NC2CCCCC2)cc2c1nc1c(C)cccn1c2=O	ZINC000100678162	569283689	/nfs/dbraw/zinc/28/36/89/569283689.db2.gz	GSNZSGYCDXSNSL-UHFFFAOYSA-N	0	0	409.490	2.146	50	5		HEBARN
O=C(C1=C2C(O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2C=CC=NN12)c1cccc([N+](=O)[O-])c1	ZINC000009318526	569392232	/nfs/dbraw/zinc/39/22/32/569392232.db2.gz	JOOSAWWFWJAWFC-OKYOBFRVSA-N	0	0	416.393	2.192	50	5		HEBARN
CC[NH+](CC)CCSc1nc(N)c(NC(=O)c2cccc([N+](=O)[O-])c2C)c(=O)[n-]1	ZINC000010243321	569395246	/nfs/dbraw/zinc/39/52/46/569395246.db2.gz	FAHAVWWGJUUNRX-UHFFFAOYSA-N	0	0	420.495	2.255	50	5		HEBARN
Cn1c(=N)c(S(=O)(=O)c2ccc(Cl)cc2)cc2c1nc1ccccn1c2=O	ZINC000002430746	569399155	/nfs/dbraw/zinc/39/91/55/569399155.db2.gz	IZHJVWMLZYDCAE-UHFFFAOYSA-N	0	0	400.847	2.152	50	5		HEBARN
Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000013002227	569406274	/nfs/dbraw/zinc/40/62/74/569406274.db2.gz	YMGWYPKLLMGFDL-BOPFTXTBSA-N	0	0	408.374	2.070	50	5		HEBARN
COC[C@](C)(CCO)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1[N+](=O)[O-]	ZINC000079099221	569427323	/nfs/dbraw/zinc/42/73/23/569427323.db2.gz	IHEFLJSVFKVKHE-KSSFIOAISA-N	0	0	415.512	2.215	50	5		HEBARN
O=C(COc1cccnc1[N+](=O)[O-])Nc1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000008687787	571101992	/nfs/dbraw/zinc/10/19/92/571101992.db2.gz	GAQAPPPQQKMQIS-UHFFFAOYSA-N	0	0	420.447	2.182	50	5		HEBARN
O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1	ZINC000008867868	571129709	/nfs/dbraw/zinc/12/97/09/571129709.db2.gz	JATLITXWKAJKEZ-KRWDZBQOSA-N	0	0	422.434	2.329	50	5		HEBARN
NC(=O)CN1c2ccccc2C(=O)N[C@@H]1c1ccc(Br)c([N+](=O)[O-])c1	ZINC000040050598	571144355	/nfs/dbraw/zinc/14/43/55/571144355.db2.gz	QQMKBAIJYYTMEC-HNNXBMFYSA-N	0	0	405.208	2.091	50	5		HEBARN
O=C(COc1ccccc1[N+](=O)[O-])N(Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1	ZINC000008916205	571151760	/nfs/dbraw/zinc/15/17/60/571151760.db2.gz	ZOOBINOAHHAQIZ-INIZCTEOSA-N	0	0	422.434	2.329	50	5		HEBARN
NC(=O)CN(Cc1ccc(Br)cc1)C(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000040152696	571200374	/nfs/dbraw/zinc/20/03/74/571200374.db2.gz	ITIWSAAOVRCJMO-UHFFFAOYSA-N	0	0	406.236	2.414	50	5		HEBARN
O=C(Cc1c[nH]c2ccccc12)N1CCN(c2ncc([N+](=O)[O-])c(NC3CC3)n2)CC1	ZINC000040153828	571201202	/nfs/dbraw/zinc/20/12/02/571201202.db2.gz	NIBCRSYPXQFBLO-UHFFFAOYSA-N	0	0	421.461	2.332	50	5		HEBARN
COC(=O)c1cc(C(=O)Nc2ccc(C(=O)NCCO)c(Cl)c2)cc([N+](=O)[O-])c1	ZINC000040156478	571203503	/nfs/dbraw/zinc/20/35/03/571203503.db2.gz	CLPDDMNNPNTNNT-UHFFFAOYSA-N	0	0	421.793	2.009	50	5		HEBARN
COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1S(N)(=O)=O	ZINC000009121318	571225708	/nfs/dbraw/zinc/22/57/08/571225708.db2.gz	UUTILLSIWBWRTA-UHFFFAOYSA-N	0	0	420.447	2.103	50	5		HEBARN
COC(=O)N1CCc2c(sc(NC(=O)c3cccc([N+](=O)[O-])c3)c2C(N)=O)C1	ZINC000009325281	571248202	/nfs/dbraw/zinc/24/82/02/571248202.db2.gz	PKKCIPDHSCHDEP-UHFFFAOYSA-N	0	0	404.404	2.132	50	5		HEBARN
Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1	ZINC000009890352	571289597	/nfs/dbraw/zinc/28/95/97/571289597.db2.gz	ZEFUMIYFHWIASY-UHFFFAOYSA-N	0	0	420.491	2.108	50	5		HEBARN
Cc1ccc(-n2ncc3c2ncn(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c3=O)cc1	ZINC000010251502	571298228	/nfs/dbraw/zinc/29/82/28/571298228.db2.gz	CMFZSEIXXYWANP-UHFFFAOYSA-N	0	0	404.386	2.491	50	5		HEBARN
COc1ccccc1[C@@H]1c2c(-c3ccc([N+](=O)[O-])cc3)n[nH]c(=O)c2Nc2nnnn21	ZINC000010296153	571299513	/nfs/dbraw/zinc/29/95/13/571299513.db2.gz	UUKGXXXUWLFUHL-QGZVFWFLSA-N	0	0	418.373	2.447	50	5		HEBARN
Cc1ccc(C(=O)NCC(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1[N+](=O)[O-]	ZINC000010303369	571299615	/nfs/dbraw/zinc/29/96/15/571299615.db2.gz	CFMHTFWRLHSMEH-UHFFFAOYSA-N	0	0	407.430	2.477	50	5		HEBARN
COc1ccc([C@H]2c3c(-c4cccc([N+](=O)[O-])c4)n[nH]c(=O)c3Nc3nnnn32)cc1	ZINC000010296463	571299646	/nfs/dbraw/zinc/29/96/46/571299646.db2.gz	JZQSKUJFJGURGZ-KRWDZBQOSA-N	0	0	418.373	2.447	50	5		HEBARN
CCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[C@@H](C)C[C@@H]32)C1=O	ZINC000004594387	132279711	/nfs/dbraw/zinc/27/97/11/132279711.db2.gz	SCIVFTCMBZHOHJ-CBLJQSSYSA-N	0	0	400.435	2.231	50	5		HEBARN
Cc1ccc(S(=O)(=O)CCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000004686857	132282940	/nfs/dbraw/zinc/28/29/40/132282940.db2.gz	JZJDNRSLJALEQO-UHFFFAOYSA-N	0	0	417.487	2.416	50	5		HEBARN
COc1cc(OC)cc(N2C(=O)c3cc([N+](=O)[O-])c(N4CCOCC4)cc3C2=O)c1	ZINC000004686395	132282980	/nfs/dbraw/zinc/28/29/80/132282980.db2.gz	BHVKKJGFXCBFEN-UHFFFAOYSA-N	0	0	413.386	2.249	50	5		HEBARN
CN1CCN(c2nc(N)c([N+](=O)[O-])c(N3CCC(Cc4ccccc4)CC3)n2)CC1	ZINC000005164520	132303643	/nfs/dbraw/zinc/30/36/43/132303643.db2.gz	UZDGMBQITAYGJL-UHFFFAOYSA-N	0	0	411.510	2.178	50	5		HEBARN
CCN1C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C(=O)N(CC)C1=S	ZINC000005896703	132308448	/nfs/dbraw/zinc/30/84/48/132308448.db2.gz	OFBQRZJYRBWGHY-INIZCTEOSA-N	0	0	416.503	2.492	50	5		HEBARN
O=C1NC(=S)N(C2CC2)C(=O)[C@]12Cc1cc([N+](=O)[O-])ccc1N1CCCCC[C@H]12	ZINC000009109824	132335932	/nfs/dbraw/zinc/33/59/32/132335932.db2.gz	KQQUHYXFSPMEEJ-JXFKEZNVSA-N	0	0	414.487	2.292	50	5		HEBARN
O=C1NC(=S)N(C2CC2)C(=O)[C@@]12Cc1cc([N+](=O)[O-])ccc1N1CCCCC[C@@H]12	ZINC000009109821	132336004	/nfs/dbraw/zinc/33/60/04/132336004.db2.gz	KQQUHYXFSPMEEJ-OXQOHEQNSA-N	0	0	414.487	2.292	50	5		HEBARN
COc1ccc(OC)c(Nc2nc(N3C[C@H](C)O[C@@H](C)C3)nc(N)c2[N+](=O)[O-])c1	ZINC000009312252	132338519	/nfs/dbraw/zinc/33/85/19/132338519.db2.gz	KXZGQNQAXAOTKT-QWRGUYRKSA-N	0	0	404.427	2.341	50	5		HEBARN
C[C@@H]1C[C@@H]1C(=O)NCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000012538042	132362289	/nfs/dbraw/zinc/36/22/89/132362289.db2.gz	ZMEIJRRKSJFWNE-YPMHNXCESA-N	0	0	414.384	2.034	50	5		HEBARN
CCCNC(=O)[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c2ccccc2O1	ZINC000032857648	519897046	/nfs/dbraw/zinc/89/70/46/519897046.db2.gz	XBLQVGUHYFCIIR-LJQANCHMSA-N	0	0	412.446	2.351	50	5		HEBARN
COC(=O)c1ccccc1C(=O)c1ccc(N[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000032905400	522255013	/nfs/dbraw/zinc/25/50/13/522255013.db2.gz	VZCWMFKAJKDXKP-ZDUSSCGKSA-N	0	0	418.427	2.211	50	5		HEBARN
CN1CCN(C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)c2cccs2)CC1	ZINC000019781913	523867744	/nfs/dbraw/zinc/86/77/44/523867744.db2.gz	DRTOPHXEQDSUSO-SSZFMOIBSA-N	0	0	400.460	2.201	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C(=O)[C@@H]2CC(Cl)=CC[C@@H]2C1=O	ZINC000239309805	525468722	/nfs/dbraw/zinc/46/87/22/525468722.db2.gz	HWDKDHPEMRUKBZ-TVYUQYBPSA-N	0	0	407.810	2.448	50	5		HEBARN
COc1cccc(-c2nc(Cn3cc([N+](=O)[O-])cc(C(N)=O)c3=O)cs2)c1OC	ZINC000031811585	525727110	/nfs/dbraw/zinc/72/71/10/525727110.db2.gz	RJFMQXHEMAAKHW-UHFFFAOYSA-N	0	0	416.415	2.044	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1NCC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1	ZINC000010826661	558466528	/nfs/dbraw/zinc/46/65/28/558466528.db2.gz	YYRIVLVLQBLCOL-MRXNPFEDSA-N	0	0	419.459	2.236	50	5		HEBARN
O=C(NCCNc1ccc([N+](=O)[O-])cc1)NC[C@H](c1cccs1)N1CCOCC1	ZINC000022357930	558482986	/nfs/dbraw/zinc/48/29/86/558482986.db2.gz	YZKAYLACPHRGBA-QGZVFWFLSA-N	0	0	419.507	2.441	50	5		HEBARN
CCCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000004505357	558616238	/nfs/dbraw/zinc/61/62/38/558616238.db2.gz	HZSGIVRHWDXNRT-NSHDSACASA-N	0	0	410.901	2.226	50	5		HEBARN
Cc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000004569242	558737205	/nfs/dbraw/zinc/73/72/05/558737205.db2.gz	DPPHMLNUFGCXRZ-KRWDZBQOSA-N	0	0	403.460	2.486	50	5		HEBARN
Cc1cccc(C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)c1[N+](=O)[O-]	ZINC000016964484	558810665	/nfs/dbraw/zinc/81/06/65/558810665.db2.gz	YPOKSYLUATYLTO-GOSISDBHSA-N	0	0	411.414	2.170	50	5		HEBARN
Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)N2CCOCC2)c([N+](=O)[O-])c1	ZINC000023106831	559010292	/nfs/dbraw/zinc/01/02/92/559010292.db2.gz	YKMIEZAYMPRJJK-MRXNPFEDSA-N	0	0	418.475	2.093	50	5		HEBARN
CCOc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1	ZINC000004750131	559043691	/nfs/dbraw/zinc/04/36/91/559043691.db2.gz	HYOUOFQXNMJNPB-UHFFFAOYSA-N	0	0	419.459	2.140	50	5		HEBARN
Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	ZINC000004834252	559163311	/nfs/dbraw/zinc/16/33/11/559163311.db2.gz	AZDHOUQNFNDTTM-INIZCTEOSA-N	0	0	403.416	2.222	50	5		HEBARN
C[C@@H](OC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000005239793	560548945	/nfs/dbraw/zinc/54/89/45/560548945.db2.gz	OKVCUKYWXGJIKC-OLZOCXBDSA-N	0	0	401.375	2.107	50	5		HEBARN
COc1ccc(C(=O)O[C@@H](C(=O)N2CCOCC2)c2ccccc2)cc1[N+](=O)[O-]	ZINC000005466960	560592204	/nfs/dbraw/zinc/59/22/04/560592204.db2.gz	GRCULDRIWSWOJB-GOSISDBHSA-N	0	0	400.387	2.360	50	5		HEBARN
O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2cccs2)CC1	ZINC000005613263	560630570	/nfs/dbraw/zinc/63/05/70/560630570.db2.gz	NTDGEJHVMFIOKU-VOTSOKGWSA-N	0	0	407.473	2.203	50	5		HEBARN
Cc1ccc(S(=O)(=O)c2cc3c(nc4c(C)cccn4c3=O)n(C)c2=N)cc1C	ZINC000100942124	560763419	/nfs/dbraw/zinc/76/34/19/560763419.db2.gz	CDLXEKRQGWIAKD-UHFFFAOYSA-N	0	0	408.483	2.424	50	5		HEBARN
Cc1cccn2c1nc1c(cc(C(=O)NC(C)C)c(=N)n1Cc1cccnc1)c2=O	ZINC000101136835	560788417	/nfs/dbraw/zinc/78/84/17/560788417.db2.gz	HKEXAPNOCSMJMX-UHFFFAOYSA-N	0	0	402.458	2.019	50	5		HEBARN
CCOC(=O)C1=C(N)N=C(OCC)[C@H](C(=O)OCC)[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000101358229	560793283	/nfs/dbraw/zinc/79/32/83/560793283.db2.gz	ZLVUZXAWMQKQHC-UKRRQHHQSA-N	0	0	405.407	2.040	50	5		HEBARN
C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1	ZINC000005708729	560804855	/nfs/dbraw/zinc/80/48/55/560804855.db2.gz	ZXYCUDWIQKNHED-HUUCEWRRSA-N	0	0	405.451	2.093	50	5		HEBARN
O=C([C@@H]1CCCN(C(=O)N2CCCC2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000046690966	560805327	/nfs/dbraw/zinc/80/53/27/560805327.db2.gz	CHHTVBWGCQCFDK-QGZVFWFLSA-N	0	0	415.494	2.171	50	5		HEBARN
O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)C[C@H]12)N1CCOCC1	ZINC000104917022	560856585	/nfs/dbraw/zinc/85/65/85/560856585.db2.gz	KOHGYYPVKTZBDC-IFMALSPDSA-N	0	0	422.485	2.321	50	5		HEBARN
Cc1noc(C(C)C)c1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000014845695	560861479	/nfs/dbraw/zinc/86/14/79/560861479.db2.gz	DSTOIUZTKLRYTQ-UHFFFAOYSA-N	0	0	422.463	2.161	50	5		HEBARN
COc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4o3)CC2)cc1[N+](=O)[O-]	ZINC000024972682	568516389	/nfs/dbraw/zinc/51/63/89/568516389.db2.gz	AYALSWGFBNQHEW-UHFFFAOYSA-N	0	0	418.431	2.256	50	5		HEBARN
COc1ccc(NC(=O)[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N2CCOCC2)cc1	ZINC000020108186	568588506	/nfs/dbraw/zinc/58/85/06/568588506.db2.gz	MAKIJFQAWSRXOP-IBGZPJMESA-N	0	0	415.402	2.344	50	5		HEBARN
Cc1ccc(Nc2nc(NCCCN3CCOCC3)nc(N)c2[N+](=O)[O-])cc1C	ZINC000020327091	568598634	/nfs/dbraw/zinc/59/86/34/568598634.db2.gz	JXNSQQRBHSLNMA-UHFFFAOYSA-N	0	0	401.471	2.462	50	5		HEBARN
COc1ccc(-c2cc(N)n(S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc1OC	ZINC000020330664	568599296	/nfs/dbraw/zinc/59/92/96/568599296.db2.gz	BYHWIYOLXJWXEE-UHFFFAOYSA-N	0	0	404.404	2.295	50	5		HEBARN
C[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(S(N)(=O)=O)cc1	ZINC000095462529	568621405	/nfs/dbraw/zinc/62/14/05/568621405.db2.gz	IZZDFYHJMHSQHU-LLVKDONJSA-N	0	0	403.420	2.143	50	5		HEBARN
Cc1cc(C(=O)OCCN(C)C2=NS(=O)(=O)c3ccccc32)ccc1[N+](=O)[O-]	ZINC000095481974	568633903	/nfs/dbraw/zinc/63/39/03/568633903.db2.gz	WWQRFRUZZGEYSG-UHFFFAOYSA-N	0	0	403.416	2.141	50	5		HEBARN
O=C1C[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1CCc1ccccc1	ZINC000096562009	568760099	/nfs/dbraw/zinc/76/00/99/568760099.db2.gz	BQAZEMVQVGJNLA-HXUWFJFHSA-N	0	0	408.458	2.087	50	5		HEBARN
O=C(C[C@@H]1C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1	ZINC000001071011	568765220	/nfs/dbraw/zinc/76/52/20/568765220.db2.gz	RYCXXOQTPDYMGW-MRXNPFEDSA-N	0	0	416.821	2.218	50	5		HEBARN
COC(=O)C1=CN(C[C@@H]2CCCO2)C=C(C(=O)OC)C1c1ccc([N+](=O)[O-])cc1	ZINC000001077354	568765375	/nfs/dbraw/zinc/76/53/75/568765375.db2.gz	FWIURTSHBGQIJS-HNNXBMFYSA-N	0	0	402.403	2.287	50	5		HEBARN
CC(=O)Oc1ccccc1-c1nc2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2n1	ZINC000001087563	568768302	/nfs/dbraw/zinc/76/83/02/568768302.db2.gz	HBCHRIVLIAUGPA-YBEGLDIGSA-N	0	0	408.395	2.199	50	5		HEBARN
C[C@H](C[S@](C)=O)NC(=O)C(C)(C)Nc1ccc(Br)cc1[N+](=O)[O-]	ZINC000225734052	568780188	/nfs/dbraw/zinc/78/01/88/568780188.db2.gz	LENFCZIZRLCRFD-WBNWAKSLSA-N	0	0	406.302	2.431	50	5		HEBARN
O=C(Cn1nc(C(F)(F)F)c(Cl)c1C1CC1)NCCn1cc([N+](=O)[O-])cn1	ZINC000002776634	568807840	/nfs/dbraw/zinc/80/78/40/568807840.db2.gz	BKTLQTCRNLMRIJ-UHFFFAOYSA-N	0	0	406.752	2.354	50	5		HEBARN
CC[C@@H]1CCCCN1C(=O)COC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000028830508	568810708	/nfs/dbraw/zinc/81/07/08/568810708.db2.gz	NSYBDIMFGTXICO-CYBMUJFWSA-N	0	0	409.464	2.120	50	5		HEBARN
Cc1nn(Cc2cccc(-c3nc4c5cnn(C)c5ncn4n3)c2)c(C)c1[N+](=O)[O-]	ZINC000002800378	568810713	/nfs/dbraw/zinc/81/07/13/568810713.db2.gz	ZXQNQUZYHGMGDP-UHFFFAOYSA-N	0	0	403.406	2.448	50	5		HEBARN
O=C(COC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCCC1=CCCCC1	ZINC000005956902	568832199	/nfs/dbraw/zinc/83/21/99/568832199.db2.gz	JVVIHKCWKWKEEU-UHFFFAOYSA-N	0	0	403.435	2.265	50	5		HEBARN
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000015326464	568877032	/nfs/dbraw/zinc/87/70/32/568877032.db2.gz	WGDBBDXIWYQDST-QGZVFWFLSA-N	0	0	403.416	2.139	50	5		HEBARN
C[C@H](OC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)Nc1ccccc1	ZINC000003403753	568896888	/nfs/dbraw/zinc/89/68/88/568896888.db2.gz	VARQLRKBGFKRJA-LBPRGKRZSA-N	0	0	411.370	2.151	50	5		HEBARN
COc1cc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OC	ZINC000003412585	568898489	/nfs/dbraw/zinc/89/84/89/568898489.db2.gz	UBYJFFFHLPOJDN-UHFFFAOYSA-N	0	0	404.331	2.136	50	5		HEBARN
COC(=O)c1cc(C(=O)N[C@@](C)(C(=O)OC)c2cc(F)ccc2F)cc([N+](=O)[O-])c1	ZINC000058247067	568905062	/nfs/dbraw/zinc/90/50/62/568905062.db2.gz	JUNNRIZVTAMDSS-LJQANCHMSA-N	0	0	422.340	2.478	50	5		HEBARN
C[C@H](OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000003484962	568908654	/nfs/dbraw/zinc/90/86/54/568908654.db2.gz	NCNHNEJWASBTEJ-LBPRGKRZSA-N	0	0	421.431	2.029	50	5		HEBARN
Cc1ccc([N+](=O)[O-])c(NC(=O)CN(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1C	ZINC000025795748	568915188	/nfs/dbraw/zinc/91/51/88/568915188.db2.gz	QXUCZERSPORVKQ-AWEZNQCLSA-N	0	0	420.491	2.491	50	5		HEBARN
CC(=O)c1ccc(S(=O)(=O)N(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1	ZINC000003579040	568916948	/nfs/dbraw/zinc/91/69/48/568916948.db2.gz	IIWQENFZNVSHQC-UHFFFAOYSA-N	0	0	406.416	2.485	50	5		HEBARN
CC(C)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000003612889	568919736	/nfs/dbraw/zinc/91/97/36/568919736.db2.gz	RFMPWFWZVBCNTQ-UHFFFAOYSA-N	0	0	422.488	2.408	50	5		HEBARN
Cn1cnc([N+](=O)[O-])c1N1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1	ZINC000031792230	568931404	/nfs/dbraw/zinc/93/14/04/568931404.db2.gz	JANKNAPXUDMUCG-SFHVURJKSA-N	0	0	412.494	2.204	50	5		HEBARN
COc1ccc(CNC(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)cc1OC	ZINC000001432157	568940700	/nfs/dbraw/zinc/94/07/00/568940700.db2.gz	KPLHQEMDMAIABO-UHFFFAOYSA-N	0	0	413.228	2.196	50	5		HEBARN
Cc1cc(=O)c(C(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1F	ZINC000012778264	568956020	/nfs/dbraw/zinc/95/60/20/568956020.db2.gz	DAXHWPOJXOOWMU-GOSISDBHSA-N	0	0	412.377	2.052	50	5		HEBARN
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1	ZINC000008286307	568987620	/nfs/dbraw/zinc/98/76/20/568987620.db2.gz	COBKJFIUEWJUBS-INIZCTEOSA-N	0	0	405.432	2.304	50	5		HEBARN
Cc1nn(CC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)c(C)c1[N+](=O)[O-]	ZINC000015991148	569025344	/nfs/dbraw/zinc/02/53/44/569025344.db2.gz	XLUKBSYQNWYAOR-UHFFFAOYSA-N	0	0	400.222	2.470	50	5		HEBARN
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3C=CC=NN3[C@@H](C(=O)C(C)(C)C)[C@H]2C1=O	ZINC000016033378	569027896	/nfs/dbraw/zinc/02/78/96/569027896.db2.gz	QDGKZHNFOUFZDW-QSPRXWTASA-N	0	0	410.430	2.232	50	5		HEBARN
O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000006236816	569034114	/nfs/dbraw/zinc/03/41/14/569034114.db2.gz	DHLCXRNQTSQBOP-MDZDMXLPSA-N	0	0	401.444	2.141	50	5		HEBARN
COc1ccc(N2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000006405547	569047040	/nfs/dbraw/zinc/04/70/40/569047040.db2.gz	DGRKMQNNMSVLLB-DLBZAZTESA-N	0	0	403.416	2.216	50	5		HEBARN
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc2c(c1)OC(F)(F)O2	ZINC000006528317	569063247	/nfs/dbraw/zinc/06/32/47/569063247.db2.gz	CJRXCBGKCIPIHT-UHFFFAOYSA-N	0	0	405.269	2.151	50	5		HEBARN
CN1C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@]32C)C(=O)N(C)C1=S	ZINC000006671631	569086860	/nfs/dbraw/zinc/08/68/60/569086860.db2.gz	CYLSJMZVXPFBDV-GOSISDBHSA-N	0	0	402.476	2.102	50	5		HEBARN
CN1C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@]32C)C(=O)N(C)C1=S	ZINC000006671629	569086905	/nfs/dbraw/zinc/08/69/05/569086905.db2.gz	CYLSJMZVXPFBDV-SFHVURJKSA-N	0	0	402.476	2.102	50	5		HEBARN
CN1C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C(=O)N(C)C1=S	ZINC000006672850	569087226	/nfs/dbraw/zinc/08/72/26/569087226.db2.gz	OZYLHKINEUHKPI-OAHLLOKOSA-N	0	0	402.476	2.102	50	5		HEBARN
Cc1ccc(NC(=O)COC(=O)CCN2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-]	ZINC000006946259	569187426	/nfs/dbraw/zinc/18/74/26/569187426.db2.gz	CZQDTHZWFABBMR-UHFFFAOYSA-N	0	0	411.370	2.071	50	5		HEBARN
COc1cc(NC(=O)[C@H](C)N2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)ccc1[N+](=O)[O-]	ZINC000239275047	569232118	/nfs/dbraw/zinc/23/21/18/569232118.db2.gz	BCWBMOADFUDQBC-ZWKOPEQDSA-N	0	0	407.810	2.448	50	5		HEBARN
Cc1[nH]c2ccccc2c1C(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000009883807	569251534	/nfs/dbraw/zinc/25/15/34/569251534.db2.gz	DFBBCVKJYJMBIO-UHFFFAOYSA-N	0	0	421.365	2.407	50	5		HEBARN
C[C@H](OC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NCc1ccccc1	ZINC000010025481	569252879	/nfs/dbraw/zinc/25/28/79/569252879.db2.gz	GXDSOXOUQGDADC-LBPRGKRZSA-N	0	0	419.821	2.226	50	5		HEBARN
COC(=O)[C@@H]1Sc2[nH]c(=O)sc2[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]1C(=O)OC	ZINC000016713001	569261380	/nfs/dbraw/zinc/26/13/80/569261380.db2.gz	DERPYVWALNEHPB-JBLDHEPKSA-N	0	0	410.429	2.325	50	5		HEBARN
O=C(COC(=O)CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(F)cc1[N+](=O)[O-]	ZINC000007738275	569305161	/nfs/dbraw/zinc/30/51/61/569305161.db2.gz	FXMDXSKTFNPOHY-UHFFFAOYSA-N	0	0	414.349	2.085	50	5		HEBARN
NC(=O)c1cccc(CNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)c1	ZINC000241316675	569305931	/nfs/dbraw/zinc/30/59/31/569305931.db2.gz	LTYSARJBHVAUNV-UHFFFAOYSA-N	0	0	404.231	2.479	50	5		HEBARN
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1c(N(C)C)cccc1S(=O)(=O)N(C)C	ZINC000253433436	569370166	/nfs/dbraw/zinc/37/01/66/569370166.db2.gz	WWFZAOMFDDVMJD-UHFFFAOYSA-N	0	0	406.464	2.472	50	5		HEBARN
CCNS(=O)(=O)c1ccc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1	ZINC000009288334	569392119	/nfs/dbraw/zinc/39/21/19/569392119.db2.gz	KAAIPKCCQPXNRJ-UHFFFAOYSA-N	0	0	409.420	2.163	50	5		HEBARN
COC(=O)c1cc(C(=O)N[C@@H](C)C2(N3CCOCC3)CCCC2)cc([N+](=O)[O-])c1	ZINC000078879188	569395618	/nfs/dbraw/zinc/39/56/18/569395618.db2.gz	DWVCJIRLOUZKMX-AWEZNQCLSA-N	0	0	405.451	2.145	50	5		HEBARN
COC(=O)[C@]1(C(F)(F)F)N=C2Sc3cc([N+](=O)[O-])ccc3N2C(N(C)C)=N1	ZINC000012413915	569400850	/nfs/dbraw/zinc/40/08/50/569400850.db2.gz	WCVCUPYTTYJIQF-CYBMUJFWSA-N	0	0	403.342	2.226	50	5		HEBARN
Cc1ccc(S(=O)(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1[N+](=O)[O-]	ZINC000012799346	569403633	/nfs/dbraw/zinc/40/36/33/569403633.db2.gz	KHQSHLGLZWAVIF-SFHVURJKSA-N	0	0	405.476	2.255	50	5		HEBARN
O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000012972194	569405455	/nfs/dbraw/zinc/40/54/55/569405455.db2.gz	CBFDPUZHFSFJDM-UHFFFAOYSA-N	0	0	421.450	2.200	50	5		HEBARN
O=C(COC(=O)Cn1cnc2ccccc2c1=O)Nc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000008694184	571102304	/nfs/dbraw/zinc/10/23/04/571102304.db2.gz	TZPOEMBCPRZZGJ-UHFFFAOYSA-N	0	0	416.777	2.140	50	5		HEBARN
CCC(CC)NC(=O)C1CCN(S(=O)(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1	ZINC000008725935	571108222	/nfs/dbraw/zinc/10/82/22/571108222.db2.gz	SIUBKKHHXGNLFC-UHFFFAOYSA-N	0	0	412.512	2.342	50	5		HEBARN
C[C@@]12CCC(=O)N1[C@H](C(=O)OCc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CS2	ZINC000009441241	571259209	/nfs/dbraw/zinc/25/92/09/571259209.db2.gz	JTZDZAHNXCYRJX-YVEFUNNKSA-N	0	0	404.404	2.142	50	5		HEBARN
O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CC(=O)N(Cc2ccco2)C1	ZINC000009491436	571262751	/nfs/dbraw/zinc/26/27/51/571262751.db2.gz	GAJLXBDSBADTJB-ZDUSSCGKSA-N	0	0	412.358	2.330	50	5		HEBARN
CS(=O)(=O)c1ccc(C(=O)OCc2cc(=O)oc3cc(O)ccc23)cc1[N+](=O)[O-]	ZINC000009510283	571264115	/nfs/dbraw/zinc/26/41/15/571264115.db2.gz	SUYDFKXOVMMSNS-UHFFFAOYSA-N	0	0	419.367	2.167	50	5		HEBARN
Cc1cccc(OCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1	ZINC000009588249	571271671	/nfs/dbraw/zinc/27/16/71/571271671.db2.gz	SACPRWJGMDCCEL-UHFFFAOYSA-N	0	0	422.459	2.382	50	5		HEBARN
COc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1ccc(C)cc1[N+](=O)[O-]	ZINC000009616255	571274075	/nfs/dbraw/zinc/27/40/75/571274075.db2.gz	BJGBLCWACKRMOC-UHFFFAOYSA-N	0	0	422.463	2.213	50	5		HEBARN
O=[N+]([O-])c1ccccc1S(=O)(=O)NCCOc1ccc(-c2cccs2)nn1	ZINC000009853643	571288480	/nfs/dbraw/zinc/28/84/80/571288480.db2.gz	UUVKKYLJDDCHJR-UHFFFAOYSA-N	0	0	406.445	2.471	50	5		HEBARN
COc1ccc(NC(C)=O)cc1NC(=O)CNc1cc([N+](=O)[O-])ccc1NCCO	ZINC000010170388	571295880	/nfs/dbraw/zinc/29/58/80/571295880.db2.gz	ODZPSUZWJHGXQM-UHFFFAOYSA-N	0	0	417.422	2.017	50	5		HEBARN
COc1ccc(-c2n[nH]c(=O)c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)n2nnnc2N3)cc1	ZINC000010295325	571299511	/nfs/dbraw/zinc/29/95/11/571299511.db2.gz	ZVANDYFKHMMBTG-QGZVFWFLSA-N	0	0	418.373	2.447	50	5		HEBARN
CN(CCO)c1cc(N2CCN(c3ccccc3F)CC2)c2nonc2c1[N+](=O)[O-]	ZINC000004686312	132283009	/nfs/dbraw/zinc/28/30/09/132283009.db2.gz	YMGRSORLVRRATF-UHFFFAOYSA-N	0	0	416.413	2.025	50	5		HEBARN
O=C(COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCc2ccccc21	ZINC000004839473	132290205	/nfs/dbraw/zinc/29/02/05/132290205.db2.gz	GZEKCBLQJNGACT-UHFFFAOYSA-N	0	0	411.414	2.178	50	5		HEBARN
CCOC(=O)[C@H]1CCCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])C1	ZINC000005688591	132307400	/nfs/dbraw/zinc/30/74/00/132307400.db2.gz	BVEQABXNXXBSPJ-AWEZNQCLSA-N	0	0	413.496	2.405	50	5		HEBARN
C[C@H]1C[C@@H]1C(=O)NCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000012538044	132362295	/nfs/dbraw/zinc/36/22/95/132362295.db2.gz	ZMEIJRRKSJFWNE-AAEUAGOBSA-N	0	0	414.384	2.034	50	5		HEBARN
C[C@H]1C[C@H]1C(=O)NCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000012538047	132362304	/nfs/dbraw/zinc/36/23/04/132362304.db2.gz	ZMEIJRRKSJFWNE-WCQYABFASA-N	0	0	414.384	2.034	50	5		HEBARN
CC1CCN(S(=O)(=O)c2ccc(NCCCN3CCCC3=O)c([N+](=O)[O-])c2)CC1	ZINC000008147076	521031623	/nfs/dbraw/zinc/03/16/23/521031623.db2.gz	IWMKQLYNYLRBBY-UHFFFAOYSA-N	0	0	424.523	2.440	50	5		HEBARN
CN1C(=O)N(C)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N(C)[C@@H]2c2ccccc2)C1=O	ZINC000005376819	536320768	/nfs/dbraw/zinc/32/07/68/536320768.db2.gz	DLPYQYJYMQVKAU-QGZVFWFLSA-N	0	0	408.414	2.365	50	5		HEBARN
COc1ccc(C(=O)NC(=S)N2CCN(c3ccc(O)cc3)CC2)cc1[N+](=O)[O-]	ZINC000003262844	536734365	/nfs/dbraw/zinc/73/43/65/536734365.db2.gz	ORYVDCLLQWKNPD-UHFFFAOYSA-N	0	0	416.459	2.146	50	5		HEBARN
CCN1CCN([C@@H](C(=O)NC2CCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1	ZINC000002457546	557837191	/nfs/dbraw/zinc/83/71/91/557837191.db2.gz	CLNSJUAXABWTBX-LJQANCHMSA-N	0	0	404.467	2.061	50	5		HEBARN
COc1ccccc1N1C(=O)N(c2cccc([N+](=O)[O-])c2)[C@H]2CS(=O)(=O)C[C@@H]21	ZINC000004393688	558485987	/nfs/dbraw/zinc/48/59/87/558485987.db2.gz	UFXZDMMMVSOULU-HOTGVXAUSA-N	0	0	403.416	2.216	50	5		HEBARN
COc1ccccc1N1C(=O)N(c2cccc([N+](=O)[O-])c2)[C@@H]2CS(=O)(=O)C[C@H]21	ZINC000004393690	558486027	/nfs/dbraw/zinc/48/60/27/558486027.db2.gz	UFXZDMMMVSOULU-HZPDHXFCSA-N	0	0	403.416	2.216	50	5		HEBARN
COC(=O)c1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)oc1C	ZINC000046265051	558789261	/nfs/dbraw/zinc/78/92/61/558789261.db2.gz	QZWGQSKFAUPFQQ-UHFFFAOYSA-N	0	0	403.391	2.049	50	5		HEBARN
CCn1c(=N)c(C(=O)NCCc2ccccc2)cc2c1nc1ccc(C)cn1c2=O	ZINC000016742589	558804270	/nfs/dbraw/zinc/80/42/70/558804270.db2.gz	YLVDSFQDZUUOIM-UHFFFAOYSA-N	0	0	401.470	2.429	50	5		HEBARN
CC(C)OCCCNC(=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)n1ccccc1=O	ZINC000004599946	558835313	/nfs/dbraw/zinc/83/53/13/558835313.db2.gz	NYLKZFMRACMIJR-GOSISDBHSA-N	0	0	401.419	2.112	50	5		HEBARN
O=C(CNc1ccc(F)c([N+](=O)[O-])c1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1	ZINC000011160796	558895115	/nfs/dbraw/zinc/89/51/15/558895115.db2.gz	JFDARBMSPXWJRW-HNNXBMFYSA-N	0	0	407.423	2.366	50	5		HEBARN
COC(=O)/C=C1\SCC(=O)N1CCCOC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000098009205	559018336	/nfs/dbraw/zinc/01/83/36/559018336.db2.gz	UTMAJPFQDRKOHX-ZSOIEALJSA-N	0	0	414.823	2.385	50	5		HEBARN
COCCCn1c(=N)c(C(=O)N2CCCCC2)cc2c1nc1c(C)cccn1c2=O	ZINC000100662500	559137631	/nfs/dbraw/zinc/13/76/31/559137631.db2.gz	JNXFCDWUWISHKC-UHFFFAOYSA-N	0	0	409.490	2.100	50	5		HEBARN
C[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)N1C(=O)c2ccccc2S1(=O)=O	ZINC000004940841	559213655	/nfs/dbraw/zinc/21/36/55/559213655.db2.gz	FFRFXRRSTSZCIO-VIFPVBQESA-N	0	0	409.807	2.420	50	5		HEBARN
C[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)N1C(=O)c2ccccc2S1(=O)=O	ZINC000004940842	559213660	/nfs/dbraw/zinc/21/36/60/559213660.db2.gz	FFRFXRRSTSZCIO-SECBINFHSA-N	0	0	409.807	2.420	50	5		HEBARN
COc1ccc(N(CC(=O)NC2CC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000005017636	559227633	/nfs/dbraw/zinc/22/76/33/559227633.db2.gz	ZHDYIRCITLVZCG-UHFFFAOYSA-N	0	0	419.459	2.386	50	5		HEBARN
Cn1c2[nH]c(-c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)nc2c(=O)n(C)c1=O	ZINC000005027038	559230474	/nfs/dbraw/zinc/23/04/74/559230474.db2.gz	HWRPLSQCZHIVLI-UHFFFAOYSA-N	0	0	407.386	2.115	50	5		HEBARN
O=C(CN1CCN(Cc2ccccc2)CC1)NCCCNc1ccc([N+](=O)[O-])cc1	ZINC000005041242	559235459	/nfs/dbraw/zinc/23/54/59/559235459.db2.gz	YHPKKOMGUHXZPV-UHFFFAOYSA-N	0	0	411.506	2.331	50	5		HEBARN
Cc1ccc(C(=O)COC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)cc1[N+](=O)[O-]	ZINC000005040813	559235672	/nfs/dbraw/zinc/23/56/72/559235672.db2.gz	ZFFCTWUSUQEVTQ-ZUOKHONESA-N	0	0	417.418	2.130	50	5		HEBARN
COc1ccccc1NC(=O)c1ccc(NCCN2C(=O)CCC2=O)c([N+](=O)[O-])c1	ZINC000005064529	559239371	/nfs/dbraw/zinc/23/93/71/559239371.db2.gz	SQIXIOVNTOJLDH-UHFFFAOYSA-N	0	0	412.402	2.417	50	5		HEBARN
CC(=O)c1ccc(N2CCN(C(=O)Cn3nc(C)c([N+](=O)[O-])c3C)CC2)c(F)c1	ZINC000024217701	559278742	/nfs/dbraw/zinc/27/87/42/559278742.db2.gz	ZVNVDMOODNZFSZ-UHFFFAOYSA-N	0	0	403.414	2.099	50	5		HEBARN
C[C@@H]1C[C@H](C)CN(C(=O)COC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1	ZINC000005708725	560804892	/nfs/dbraw/zinc/80/48/92/560804892.db2.gz	ZXYCUDWIQKNHED-GASCZTMLSA-N	0	0	405.451	2.093	50	5		HEBARN
Cc1ccc(S(=O)(=O)N2C[C@@H](c3cccc([N+](=O)[O-])c3)C(C(=O)[C@H]3CO3)=N2)cc1	ZINC000102697514	560820087	/nfs/dbraw/zinc/82/00/87/560820087.db2.gz	KLKDJCSOJQMCRI-DLBZAZTESA-N	0	0	415.427	2.015	50	5		HEBARN
COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2N2CCCN12	ZINC000102707006	560820629	/nfs/dbraw/zinc/82/06/29/560820629.db2.gz	RGTVNUYCFJBVFN-GUDVDZBRSA-N	0	0	408.414	2.139	50	5		HEBARN
O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc(N[C@@H]2CCCCNC2=O)c([N+](=O)[O-])c1	ZINC000102782111	560827386	/nfs/dbraw/zinc/82/73/86/560827386.db2.gz	VCCBHTUWNVRCPQ-IJEWVQPXSA-N	0	0	400.435	2.355	50	5		HEBARN
COc1cccc(C2=NO[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(O)=C23)c1OC	ZINC000102890617	560832949	/nfs/dbraw/zinc/83/29/49/560832949.db2.gz	HYJZTRGMCUCHGI-YJBOKZPZSA-N	0	0	411.370	2.213	50	5		HEBARN
CC1=Nc2nnnn2[C@H](c2ccc(O)cc2)C1C(=O)OCc1ccc([N+](=O)[O-])cc1	ZINC000020281732	568596679	/nfs/dbraw/zinc/59/66/79/568596679.db2.gz	JOZCEYJPXBFWDU-QGZVFWFLSA-N	0	0	408.374	2.319	50	5		HEBARN
Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)o1	ZINC000020407334	568604597	/nfs/dbraw/zinc/60/45/97/568604597.db2.gz	ACCNSISQZGDVAR-UHFFFAOYSA-N	0	0	400.435	2.295	50	5		HEBARN
CC(C)(C)[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1nc(-c2nc[nH]n2)no1	ZINC000095432591	568609251	/nfs/dbraw/zinc/60/92/51/568609251.db2.gz	RUZLSVFKMWGNPE-GFCCVEGCSA-N	0	0	421.439	2.366	50	5		HEBARN
CC(C)(C)[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1nc(-c2nc[nH]n2)no1	ZINC000095432592	568609395	/nfs/dbraw/zinc/60/93/95/568609395.db2.gz	RUZLSVFKMWGNPE-LBPRGKRZSA-N	0	0	421.439	2.366	50	5		HEBARN
COc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)N3)cc1	ZINC000020729974	568640593	/nfs/dbraw/zinc/64/05/93/568640593.db2.gz	QURBGGJOEIKVIB-OAHLLOKOSA-N	0	0	408.374	2.384	50	5		HEBARN
CCOc1ccc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-]	ZINC000096004674	568682409	/nfs/dbraw/zinc/68/24/09/568682409.db2.gz	UBDYHTCJZFFADA-CYBMUJFWSA-N	0	0	423.466	2.302	50	5		HEBARN
CCCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000096280289	568717479	/nfs/dbraw/zinc/71/74/79/568717479.db2.gz	ZWVGCYVUWIYCHP-IBGZPJMESA-N	0	0	402.495	2.438	50	5		HEBARN
O=C(COC(=O)c1ccc(Cl)cc1O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000025022310	568725512	/nfs/dbraw/zinc/72/55/12/568725512.db2.gz	CIWJWTXEECJNSB-UHFFFAOYSA-N	0	0	419.821	2.459	50	5		HEBARN
C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(=O)N[C@H](C)c1ccccc1	ZINC000022087597	568764740	/nfs/dbraw/zinc/76/47/40/568764740.db2.gz	SXGMNXLEFRLGCJ-ZIAGYGMSSA-N	0	0	401.419	2.422	50	5		HEBARN
O=C1NCCN1C1CCN(c2ccc([N+](=O)[O-])c(I)c2)CC1	ZINC000052486954	568767273	/nfs/dbraw/zinc/76/72/73/568767273.db2.gz	QENKFVNXXOZXDP-UHFFFAOYSA-N	0	0	416.219	2.193	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(C)Cc1ccccc1)S(C)(=O)=O	ZINC000001111007	568770604	/nfs/dbraw/zinc/77/06/04/568770604.db2.gz	HEZVCVXDPLGHBE-UHFFFAOYSA-N	0	0	407.448	2.028	50	5		HEBARN
O=C(OCCCCNC1=NS(=O)(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1	ZINC000002826539	568812145	/nfs/dbraw/zinc/81/21/45/568812145.db2.gz	OTENBFAFBBLNLI-UHFFFAOYSA-N	0	0	403.416	2.271	50	5		HEBARN
CCOC(=O)[C@H]1CCCN(c2ccc(S(=O)(=O)NC(C)(C)C)cc2[N+](=O)[O-])C1	ZINC000015208599	568818751	/nfs/dbraw/zinc/81/87/51/568818751.db2.gz	SUOXDGVFXBUEMN-ZDUSSCGKSA-N	0	0	413.496	2.451	50	5		HEBARN
C[C@@H](C(=O)NC(=O)NC1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000057847957	568863363	/nfs/dbraw/zinc/86/33/63/568863363.db2.gz	YPUFMMOZMLLMTL-HNNXBMFYSA-N	0	0	403.483	2.264	50	5		HEBARN
CCn1cc(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)c2ccc(C)nc21	ZINC000003248613	568867515	/nfs/dbraw/zinc/86/75/15/568867515.db2.gz	UJZBPVRWCHLPDO-UHFFFAOYSA-N	0	0	410.386	2.429	50	5		HEBARN
COc1ccccc1CNC(=O)CSc1nc2ccccc2c2nc(=O)c(C)nn12	ZINC000058046932	568880289	/nfs/dbraw/zinc/88/02/89/568880289.db2.gz	JPHFFZKZKKMSND-UHFFFAOYSA-N	0	0	421.482	2.363	50	5		HEBARN
CS(=O)(=O)c1ccc(N[C@@H](CN2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1	ZINC000012641127	568885381	/nfs/dbraw/zinc/88/53/81/568885381.db2.gz	XVWPOSBVNCXSCK-SFHVURJKSA-N	0	0	405.476	2.484	50	5		HEBARN
COc1ccc(/C=C2\C(=O)N(C(C)=O)CC(=O)N2Cc2ccc([N+](=O)[O-])cc2)cc1	ZINC000004091720	568885431	/nfs/dbraw/zinc/88/54/31/568885431.db2.gz	XHJNPKYBKGGSBA-YBFXNURJSA-N	0	0	409.398	2.362	50	5		HEBARN
COc1ccc(S(=O)(=O)N(C)Cc2nccn2CC(F)(F)F)cc1[N+](=O)[O-]	ZINC000058305107	568910120	/nfs/dbraw/zinc/91/01/20/568910120.db2.gz	HDZLVHICXKWSLB-UHFFFAOYSA-N	0	0	408.358	2.183	50	5		HEBARN
COCCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000003636603	568921161	/nfs/dbraw/zinc/92/11/61/568921161.db2.gz	WWWVAEOOKGLDFK-XHDPSFHLSA-N	0	0	405.432	2.433	50	5		HEBARN
C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000031296213	568922400	/nfs/dbraw/zinc/92/24/00/568922400.db2.gz	WQBMLHRPJXCRTL-FLVLSHQESA-N	0	0	408.458	2.462	50	5		HEBARN
C[C@H](C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O	ZINC000012823255	569006760	/nfs/dbraw/zinc/00/67/60/569006760.db2.gz	VULZGFVEYAFKTQ-NEPJUHHUSA-N	0	0	411.370	2.150	50	5		HEBARN
CCOC(=O)c1sc(NC(=O)Cn2cnc([N+](=O)[O-])c2)c(C(=O)OCC)c1C	ZINC000006195078	569031024	/nfs/dbraw/zinc/03/10/24/569031024.db2.gz	IMFQVRGUYVEYHY-UHFFFAOYSA-N	0	0	410.408	2.153	50	5		HEBARN
Cc1cc(C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)ccc1[N+](=O)[O-]	ZINC000053776551	569032990	/nfs/dbraw/zinc/03/29/90/569032990.db2.gz	XRJKVIZYRNNTPM-UHFFFAOYSA-N	0	0	408.458	2.250	50	5		HEBARN
O=C(Cc1ccccc1)Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CS(=O)(=O)C2	ZINC000006344151	569043761	/nfs/dbraw/zinc/04/37/61/569043761.db2.gz	MUXLVZHVBMHOAQ-UHFFFAOYSA-N	0	0	412.427	2.390	50	5		HEBARN
CCOC(=O)c1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc([N+](=O)[O-])c1	ZINC000014199451	569258910	/nfs/dbraw/zinc/25/89/10/569258910.db2.gz	MNDHJXVDPIGUCW-UHFFFAOYSA-N	0	0	407.423	2.464	50	5		HEBARN
Cc1c(C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)cccc1[N+](=O)[O-]	ZINC000016964355	569269117	/nfs/dbraw/zinc/26/91/17/569269117.db2.gz	OADUPEZTHLNTQH-IBGZPJMESA-N	0	0	411.414	2.170	50	5		HEBARN
Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1C(=O)N1CCC(C(N)=O)CC1	ZINC000027299218	569293135	/nfs/dbraw/zinc/29/31/35/569293135.db2.gz	KAHZBCLKRXBBFN-UHFFFAOYSA-N	0	0	410.430	2.493	50	5		HEBARN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C(=S)NC3CCCCC3)CC2)cc1	ZINC000007638682	569297931	/nfs/dbraw/zinc/29/79/31/569297931.db2.gz	NCDPBHPZFCJECC-UHFFFAOYSA-N	0	0	412.537	2.108	50	5		HEBARN
C[C@@H]1CCC[C@H](C)[C@@]12NC(=O)N(CN1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2=O	ZINC000241316781	569305947	/nfs/dbraw/zinc/30/59/47/569305947.db2.gz	LUVOCZNXJAZVEN-JIPZTSHUSA-N	0	0	415.494	2.421	50	5		HEBARN
O=C(c1cc2ccccc2o1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000007805280	569311767	/nfs/dbraw/zinc/31/17/67/569311767.db2.gz	ZLRKCQLCAKDWQI-UHFFFAOYSA-N	0	0	415.427	2.488	50	5		HEBARN
COCCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000002249253	569324525	/nfs/dbraw/zinc/32/45/25/569324525.db2.gz	MCLWAGRRMDJQST-XHDPSFHLSA-N	0	0	405.432	2.433	50	5		HEBARN
O=C(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000002329660	569375645	/nfs/dbraw/zinc/37/56/45/569375645.db2.gz	PRDTVZBJHVBLMA-UHFFFAOYSA-N	0	0	409.851	2.395	50	5		HEBARN
CCn1c(COc2cccnc2[N+](=O)[O-])nc2cc(S(=O)(=O)N(C)C)ccc21	ZINC000012629871	569402231	/nfs/dbraw/zinc/40/22/31/569402231.db2.gz	DKYWITQHRUVWMA-UHFFFAOYSA-N	0	0	405.436	2.189	50	5		HEBARN
O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)Nc1cccc([N+](=O)[O-])c1	ZINC000012806693	569403655	/nfs/dbraw/zinc/40/36/55/569403655.db2.gz	OPJUJGHTOCBSRJ-UHFFFAOYSA-N	0	0	421.431	2.063	50	5		HEBARN
COc1ccc(C2=NO[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(=O)[C@H]23)cc1OC	ZINC000008490646	571056493	/nfs/dbraw/zinc/05/64/93/571056493.db2.gz	GPTJDNKNJXNIQE-SJLPKXTDSA-N	0	0	411.370	2.213	50	5		HEBARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1cccs1	ZINC000008655759	571098802	/nfs/dbraw/zinc/09/88/02/571098802.db2.gz	IMMOEYYKMPKDAV-XLNRJJMWSA-N	0	0	408.439	2.166	50	5		HEBARN
O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCC(C(=O)Nc2ccccc2)CC1	ZINC000039983319	571136240	/nfs/dbraw/zinc/13/62/40/571136240.db2.gz	HFUGZXNXBBUQMN-UHFFFAOYSA-N	0	0	424.413	2.380	50	5		HEBARN
COC(=O)C1=C(C(=O)OC)[C@H](c2cccc([N+](=O)[O-])c2)c2sc(=O)[nH]c2S1	ZINC000009428425	571258026	/nfs/dbraw/zinc/25/80/26/571258026.db2.gz	MSUIXAOPKQHUDR-VIFPVBQESA-N	0	0	408.413	2.182	50	5		HEBARN
Cc1nn(CC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c(C)c1[N+](=O)[O-]	ZINC000009507119	571263695	/nfs/dbraw/zinc/26/36/95/571263695.db2.gz	BIUUVHFHFXSZDT-UHFFFAOYSA-N	0	0	421.479	2.221	50	5		HEBARN
CCN(C(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1)[C@@H]1CCS(=O)(=O)C1	ZINC000009613106	571273856	/nfs/dbraw/zinc/27/38/56/571273856.db2.gz	NBYVHJCSPNGETH-LLVKDONJSA-N	0	0	415.518	2.332	50	5		HEBARN
O=C(Nc1ncc([N+](=O)[O-])s1)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O	ZINC000010187821	571296250	/nfs/dbraw/zinc/29/62/50/571296250.db2.gz	YURZOAPZYMMVQF-UHFFFAOYSA-N	0	0	401.360	2.422	50	5		HEBARN
Cc1ccc(-n2ncc3c2ncn(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c3=O)cc1	ZINC000010251638	571298233	/nfs/dbraw/zinc/29/82/33/571298233.db2.gz	PPXMWTOGJMPJJE-UHFFFAOYSA-N	0	0	404.386	2.112	50	5		HEBARN
O=c1[nH]nc(-c2ccc([N+](=O)[O-])cc2)c2c1Nc1nnnn1[C@@H]2c1ccc(O)cc1	ZINC000010296415	571299548	/nfs/dbraw/zinc/29/95/48/571299548.db2.gz	GEEJHHZVFFGHIQ-MRXNPFEDSA-N	0	0	404.346	2.144	50	5		HEBARN
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000003878790	132269022	/nfs/dbraw/zinc/26/90/22/132269022.db2.gz	FOFJKKJTKSMXQU-UHFFFAOYSA-N	0	0	404.448	2.064	50	5		HEBARN
CCOC(=O)Cc1csc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1	ZINC000004531437	132278110	/nfs/dbraw/zinc/27/81/10/132278110.db2.gz	WXBAONYSNMUJLA-UHFFFAOYSA-N	0	0	420.447	2.246	50	5		HEBARN
CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(-n3nc(C)c4ccccc4c3=O)c2)CC1	ZINC000004687947	132283424	/nfs/dbraw/zinc/28/34/24/132283424.db2.gz	NINCBHAFKIRAIA-UHFFFAOYSA-N	0	0	407.430	2.271	50	5		HEBARN
O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2n1CN(c1ccc(Cl)cc1)CN=2	ZINC000005064412	132300084	/nfs/dbraw/zinc/30/00/84/132300084.db2.gz	XECZLFFBWOEXFG-SXGWCWSVSA-N	0	0	400.847	2.355	50	5		HEBARN
Cc1cc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc(-n2cc([N+](=O)[O-])cn2)n1	ZINC000010215046	132345498	/nfs/dbraw/zinc/34/54/98/132345498.db2.gz	ATVJFTYDWLWOOP-UHFFFAOYSA-N	0	0	410.394	2.114	50	5		HEBARN
CCCc1cc(=O)[nH]c(SCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1	ZINC000011443254	132348186	/nfs/dbraw/zinc/34/81/86/132348186.db2.gz	XIFZZBRRUIKFNV-UHFFFAOYSA-N	0	0	417.491	2.072	50	5		HEBARN
COC[C@@H](C)NS(=O)(=O)c1ccc(Nc2ccc(N(C)C)nc2)c([N+](=O)[O-])c1	ZINC000032899477	522253597	/nfs/dbraw/zinc/25/35/97/522253597.db2.gz	RASDRKKIDPJWIH-GFCCVEGCSA-N	0	0	409.468	2.113	50	5		HEBARN
CCc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCOCC1	ZINC000032796232	523896675	/nfs/dbraw/zinc/89/66/75/523896675.db2.gz	XAIUOAGOCXEAGU-UHFFFAOYSA-N	0	0	419.459	2.430	50	5		HEBARN
C[C@H]1CN(C(=O)C2CCN(Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)C[C@H](C)O1	ZINC000045801706	524460410	/nfs/dbraw/zinc/46/04/10/524460410.db2.gz	XDHVQWQPXFRAMT-GJZGRUSLSA-N	0	0	401.467	2.250	50	5		HEBARN
N=c1c(C(=O)NC2CCCC2)cc2c(=O)n3ccccc3nc2n1Cc1cccnc1	ZINC000002695840	557741530	/nfs/dbraw/zinc/74/15/30/557741530.db2.gz	LCDVVQFVNKDFLR-UHFFFAOYSA-N	0	0	414.469	2.244	50	5		HEBARN
O=C(O[C@H]1OCCO[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	ZINC000013464265	558261911	/nfs/dbraw/zinc/26/19/11/558261911.db2.gz	PBHVUVQOCMWGCF-HDICACEKSA-N	0	0	418.314	2.216	50	5		HEBARN
CC(C)CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000004505359	558616179	/nfs/dbraw/zinc/61/61/79/558616179.db2.gz	UPCNDLZXLAAUCK-LLVKDONJSA-N	0	0	410.901	2.082	50	5		HEBARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N/C(=O)c1cccs1	ZINC000101317878	558782216	/nfs/dbraw/zinc/78/22/16/558782216.db2.gz	IMMOEYYKMPKDAV-OQKWZONESA-N	0	0	408.439	2.166	50	5		HEBARN
COC(=O)c1ccccc1NC(=O)c1cccn(OCc2cccc([N+](=O)[O-])c2)c1=O	ZINC000016942487	558809524	/nfs/dbraw/zinc/80/95/24/558809524.db2.gz	ALYDTKUKJNOJPW-UHFFFAOYSA-N	0	0	423.381	2.424	50	5		HEBARN
O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C(=O)c2cccs2)C1	ZINC000023018473	558864962	/nfs/dbraw/zinc/86/49/62/558864962.db2.gz	VLVIIHPCWGDAIB-GOEBONIOSA-N	0	0	403.460	2.358	50	5		HEBARN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000023243767	559064610	/nfs/dbraw/zinc/06/46/10/559064610.db2.gz	OOFCUWGOWAKDEI-UHFFFAOYSA-N	0	0	406.416	2.477	50	5		HEBARN
O=C(COC(=O)CN1CCCCCC1=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000011385494	559069797	/nfs/dbraw/zinc/06/97/97/559069797.db2.gz	HNWDAOSBKLRUHB-UHFFFAOYSA-N	0	0	417.340	2.498	50	5		HEBARN
O=C(COc1ccc([N+](=O)[O-])cc1)NC1CCN(CC(=O)Nc2ccccc2)CC1	ZINC000011586616	559112222	/nfs/dbraw/zinc/11/22/22/559112222.db2.gz	FDTFJCBCZDYYJG-UHFFFAOYSA-N	0	0	412.446	2.193	50	5		HEBARN
Cc1cccn2c1nc1c(cc(C(=O)NC[C@@H]3CCCO3)c(=N)n1C1CCCC1)c2=O	ZINC000100627862	559137080	/nfs/dbraw/zinc/13/70/80/559137080.db2.gz	GGMIFFPFTQSWTL-INIZCTEOSA-N	0	0	421.501	2.461	50	5		HEBARN
Cc1cccn2c1nc1c(cc(C(=O)NCc3cccnc3)c(=N)n1C(C)C)c2=O	ZINC000100630629	559137212	/nfs/dbraw/zinc/13/72/12/559137212.db2.gz	RVUVLSKEQDZRHQ-UHFFFAOYSA-N	0	0	402.458	2.343	50	5		HEBARN
CCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[C@H](C)C[C@H]32)C1=O	ZINC000247845777	559166652	/nfs/dbraw/zinc/16/66/52/559166652.db2.gz	SCIVFTCMBZHOHJ-SLSDUTBNSA-N	0	0	400.435	2.231	50	5		HEBARN
O=C(Nc1ccc2c(c1)OCO2)c1cccn(OCc2cccc([N+](=O)[O-])c2)c1=O	ZINC000005054819	559237495	/nfs/dbraw/zinc/23/74/95/559237495.db2.gz	XHOAWIFIXZARQG-UHFFFAOYSA-N	0	0	409.354	2.366	50	5		HEBARN
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000005407714	560584313	/nfs/dbraw/zinc/58/43/13/560584313.db2.gz	ABLKSLYBFAVTSR-INIZCTEOSA-N	0	0	406.464	2.040	50	5		HEBARN
COC(=O)Cn1c2cc3c(cc2s/c1=N\C(=O)c1cccc([N+](=O)[O-])c1)OCO3	ZINC000101035419	560766904	/nfs/dbraw/zinc/76/69/04/560766904.db2.gz	OQUSATBZFRBOQB-HNENSFHCSA-N	0	0	415.383	2.254	50	5		HEBARN
COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(O)=C23)c(OC)c1	ZINC000103548745	560843044	/nfs/dbraw/zinc/84/30/44/560843044.db2.gz	BRJUXKBPZYTFHY-WMZOPIPTSA-N	0	0	411.370	2.213	50	5		HEBARN
COCCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O	ZINC000104208484	560849771	/nfs/dbraw/zinc/84/97/71/560849771.db2.gz	GVFOXQVYDVUZTL-UHFFFAOYSA-N	0	0	417.286	2.426	50	5		HEBARN
CCN(CC)S(=O)(=O)c1ccc(N2CCC(N(C)C(C)=O)CC2)c([N+](=O)[O-])c1	ZINC000048366876	568442056	/nfs/dbraw/zinc/44/20/56/568442056.db2.gz	FQNPXATVDXGCDE-UHFFFAOYSA-N	0	0	412.512	2.072	50	5		HEBARN
CC1CCN(S(=O)(=O)c2ccc(N3CCC[C@H]3C(=O)N(C)C)c([N+](=O)[O-])c2)CC1	ZINC000024717623	568457485	/nfs/dbraw/zinc/45/74/85/568457485.db2.gz	VRSGLPHUDGLTBQ-KRWDZBQOSA-N	0	0	424.523	2.072	50	5		HEBARN
O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(Cn2cc(Br)cn2)cc1	ZINC000000651325	568457596	/nfs/dbraw/zinc/45/75/96/568457596.db2.gz	VNMOIKYYKKDZGB-UHFFFAOYSA-N	0	0	405.212	2.437	50	5		HEBARN
O=C1N=C2N(CCN3CCOCC3)c3ccccc3N2/C1=C/c1ccc([N+](=O)[O-])cc1	ZINC000019939299	568585874	/nfs/dbraw/zinc/58/58/74/568585874.db2.gz	CMRUCMMQIBGYDO-HMMYKYKNSA-N	0	0	419.441	2.491	50	5		HEBARN
Cc1c(C(=O)NCCN2CCOCC2)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12	ZINC000020280108	568596720	/nfs/dbraw/zinc/59/67/20/568596720.db2.gz	FNCYLQKOZGHDGZ-UHFFFAOYSA-N	0	0	415.475	2.341	50	5		HEBARN
C[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(S(N)(=O)=O)cc1	ZINC000095462528	568621530	/nfs/dbraw/zinc/62/15/30/568621530.db2.gz	IZZDFYHJMHSQHU-NSHDSACASA-N	0	0	403.420	2.143	50	5		HEBARN
COc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccccc3)c2=O)c([N+](=O)[O-])c1	ZINC000020607632	568635901	/nfs/dbraw/zinc/63/59/01/568635901.db2.gz	JILMCPQYCRZNDD-UHFFFAOYSA-N	0	0	420.385	2.138	50	5		HEBARN
COC(=O)C1(NC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)CCCCC1	ZINC000022503863	568768713	/nfs/dbraw/zinc/76/87/13/568768713.db2.gz	LWBGZMRLQYDVCP-UHFFFAOYSA-N	0	0	414.418	2.055	50	5		HEBARN
CN1C(=O)c2ccc(NC(=O)COC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2C1=O	ZINC000025439073	568769288	/nfs/dbraw/zinc/76/92/88/568769288.db2.gz	ZPZUWRGWWJNUAW-UHFFFAOYSA-N	0	0	417.761	2.270	50	5		HEBARN
CCOC(=O)c1ccccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000001137307	568773506	/nfs/dbraw/zinc/77/35/06/568773506.db2.gz	GEWKQQUVPGCXNS-UHFFFAOYSA-N	0	0	421.431	2.176	50	5		HEBARN
O=C(C1=C2C(O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2CCCN12)c1ccccc1	ZINC000230045990	568804448	/nfs/dbraw/zinc/80/44/48/568804448.db2.gz	WZBGXKYTPCROJF-OKYOBFRVSA-N	0	0	405.410	2.430	50	5		HEBARN
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)NCCCn1cccn1	ZINC000030171697	568858613	/nfs/dbraw/zinc/85/86/13/568858613.db2.gz	PEMACICKBXDWTM-MRXNPFEDSA-N	0	0	407.858	2.406	50	5		HEBARN
O=[N+]([O-])c1ccc(Nc2ccc3c(c2)OCCO3)c(S(=O)(=O)N2CCOCC2)c1	ZINC000012644739	568885438	/nfs/dbraw/zinc/88/54/38/568885438.db2.gz	JFQVUXCWIGMOCG-UHFFFAOYSA-N	0	0	421.431	2.131	50	5		HEBARN
COc1ccc(-c2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2N)cc1	ZINC000003406350	568897259	/nfs/dbraw/zinc/89/72/59/568897259.db2.gz	NAYRIMIJAODDES-UHFFFAOYSA-N	0	0	400.420	2.307	50	5		HEBARN
CCOCCN(C[C@H](C)C(=O)OC)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1	ZINC000058277875	568907871	/nfs/dbraw/zinc/90/78/71/568907871.db2.gz	CSRQRGNKMYGJBH-AWEZNQCLSA-N	0	0	404.423	2.068	50	5		HEBARN
O=C(NCCCn1ccnc1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1	ZINC000003766437	568925882	/nfs/dbraw/zinc/92/58/82/568925882.db2.gz	NSEOXTGGCZAAKE-GHRIWEEISA-N	0	0	409.402	2.362	50	5		HEBARN
CC(C)c1nc(SCc2cccc([N+](=O)[O-])c2)c2c(=O)n(C)c(=O)n(C)c2n1	ZINC000004139032	568946021	/nfs/dbraw/zinc/94/60/21/568946021.db2.gz	ZQPCVBCLLWHOID-UHFFFAOYSA-N	0	0	401.448	2.351	50	5		HEBARN
CC(=O)N1CCc2c(sc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2C(N)=O)C1	ZINC000004280383	568958926	/nfs/dbraw/zinc/95/89/26/568958926.db2.gz	FJJNNJCQLAWDND-AATRIKPKSA-N	0	0	414.443	2.312	50	5		HEBARN
O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCc2ccccc21	ZINC000007978916	568963345	/nfs/dbraw/zinc/96/33/45/568963345.db2.gz	YEQODXFIRAXVRZ-UHFFFAOYSA-N	0	0	411.414	2.178	50	5		HEBARN
COCCn1c(=N)c(C(=O)N[C@@H](C)c2ccccc2)cc2c1nc1ccccn1c2=O	ZINC000100627929	569009760	/nfs/dbraw/zinc/00/97/60/569009760.db2.gz	LOCGOXYYGAUFBX-HNNXBMFYSA-N	0	0	417.469	2.266	50	5		HEBARN
Cc1ccc(CN(C)c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])cc1	ZINC000035264472	569015679	/nfs/dbraw/zinc/01/56/79/569015679.db2.gz	MQMCEJQXMUQHOU-UHFFFAOYSA-N	0	0	418.519	2.476	50	5		HEBARN
COC(=O)c1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])o1	ZINC000016382738	569040086	/nfs/dbraw/zinc/04/00/86/569040086.db2.gz	ROIYMDZJJLRBEP-OAHLLOKOSA-N	0	0	400.347	2.241	50	5		HEBARN
C[C@@H](NC(=O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc2c(c1)OCO2	ZINC000016564989	569059174	/nfs/dbraw/zinc/05/91/74/569059174.db2.gz	ACWIFZGIVOMPRT-OAHLLOKOSA-N	0	0	412.446	2.323	50	5		HEBARN
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3N3CCCN23)cc1	ZINC000138550253	569130306	/nfs/dbraw/zinc/13/03/06/569130306.db2.gz	LFJYIJPHPSWGEJ-IPMKNSEASA-N	0	0	408.414	2.139	50	5		HEBARN
COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2N2CCCN12	ZINC000138553221	569130326	/nfs/dbraw/zinc/13/03/26/569130326.db2.gz	RGTVNUYCFJBVFN-IPMKNSEASA-N	0	0	408.414	2.139	50	5		HEBARN
Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1	ZINC000036391123	569166159	/nfs/dbraw/zinc/16/61/59/569166159.db2.gz	JUFVPHGLCRQHIJ-UHFFFAOYSA-N	0	0	410.427	2.499	50	5		HEBARN
COC(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1	ZINC000007130595	569224659	/nfs/dbraw/zinc/22/46/59/569224659.db2.gz	SLROPGYEICPNMP-GFCCVEGCSA-N	0	0	416.386	2.409	50	5		HEBARN
O=C1NC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccccc4)C[C@@H]32)C(=O)N1	ZINC000017014991	569271290	/nfs/dbraw/zinc/27/12/90/569271290.db2.gz	JSJSKRCLMRNADM-QGZVFWFLSA-N	0	0	421.413	2.243	50	5		HEBARN
O=C(c1ccco1)N1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1	ZINC000027156207	569283873	/nfs/dbraw/zinc/28/38/73/569283873.db2.gz	KJVCVNPQGYGLHN-UHFFFAOYSA-N	0	0	412.446	2.389	50	5		HEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1	ZINC000252517709	569292284	/nfs/dbraw/zinc/29/22/84/569292284.db2.gz	PHCUCRZMSHHYEJ-IYOUNJFTSA-N	0	0	416.478	2.406	50	5		HEBARN
O=C(c1cc([N+](=O)[O-])ccc1F)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1	ZINC000002192123	569293660	/nfs/dbraw/zinc/29/36/60/569293660.db2.gz	PDLHUPGWKNUBLP-UHFFFAOYSA-N	0	0	420.328	2.379	50	5		HEBARN
Cc1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-]	ZINC000007719141	569302188	/nfs/dbraw/zinc/30/21/88/569302188.db2.gz	SOOIKGLJPXHUAB-UHFFFAOYSA-N	0	0	406.416	2.249	50	5		HEBARN
O=C(c1cc2ccccc2o1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000007805020	569311732	/nfs/dbraw/zinc/31/17/32/569311732.db2.gz	MHDSQEBVMMHBFP-UHFFFAOYSA-N	0	0	415.427	2.488	50	5		HEBARN
O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O	ZINC000008861258	569390624	/nfs/dbraw/zinc/39/06/24/569390624.db2.gz	QWVLTYHZGVVMPD-JTQLQIEISA-N	0	0	402.388	2.079	50	5		HEBARN
COc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1	ZINC000009525986	569393517	/nfs/dbraw/zinc/39/35/17/569393517.db2.gz	LYMKXHBESVPXQR-ZDUSSCGKSA-N	0	0	413.386	2.138	50	5		HEBARN
COc1cc(C=O)ccc1Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000009580657	569393557	/nfs/dbraw/zinc/39/35/57/569393557.db2.gz	OJUXTKUIISQSNM-UHFFFAOYSA-N	0	0	422.415	2.229	50	5		HEBARN
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1[N+](=O)[O-]	ZINC000001173612	571043119	/nfs/dbraw/zinc/04/31/19/571043119.db2.gz	STFCGFPRCAHUKS-UHFFFAOYSA-N	0	0	405.432	2.176	50	5		HEBARN
C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)Nc2cccnc2Cl)C1=O	ZINC000008645810	571098078	/nfs/dbraw/zinc/09/80/78/571098078.db2.gz	LQPCHHKQBQPWEH-KRWDZBQOSA-N	0	0	403.782	2.049	50	5		HEBARN
Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1S(=O)(=O)N1CCOCC1	ZINC000009507282	571263697	/nfs/dbraw/zinc/26/36/97/571263697.db2.gz	IYOYRXNSHLXJBV-UHFFFAOYSA-N	0	0	411.461	2.238	50	5		HEBARN
O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1	ZINC000009587537	571271571	/nfs/dbraw/zinc/27/15/71/571271571.db2.gz	DVUNMZQHLQLRQM-UHFFFAOYSA-N	0	0	424.410	2.399	50	5		HEBARN