smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000220411528	559076744	/nfs/dbraw/zinc/07/67/44/559076744.db2.gz	KXJVJIKHWJDVLF-GFCCVEGCSA-N	0	0	421.431	1.794	40	5		HDBBRN
O=C(COc1ccc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)cc1)NC[C@@H]1CCCO1	ZINC000408607487	559221262	/nfs/dbraw/zinc/22/12/62/559221262.db2.gz	SPJJGXACIHDUDB-GPAKFWEMSA-N	0	0	416.390	1.640	40	5		HDBBRN
C[C@@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@@H]12	ZINC000408975058	559236357	/nfs/dbraw/zinc/23/63/57/559236357.db2.gz	JHJDZSXFBBIKDU-MPTQWLOMSA-N	0	0	409.192	1.553	40	5		HDBBRN
Cc1cc(C)n(NC(=O)c2cccc(Cn3cc([N+](=O)[O-])cn3)c2)c(=O)c1C(N)=O	ZINC000002739689	568804613	/nfs/dbraw/zinc/80/46/13/568804613.db2.gz	STIJVFRWEJUOHJ-UHFFFAOYSA-N	0	0	410.390	1.101	40	5		HDBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000015271391	568866345	/nfs/dbraw/zinc/86/63/45/568866345.db2.gz	YLRCQUVFBOWGJX-UHFFFAOYSA-N	0	0	421.431	1.877	40	5		HDBBRN
O=C(CN1CCOCC1)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000031716693	568929500	/nfs/dbraw/zinc/92/95/00/568929500.db2.gz	GUBLXBBCJCJMHV-UHFFFAOYSA-N	0	0	405.432	1.698	40	5		HDBBRN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C(=S)N[C@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1	ZINC000016276686	569030383	/nfs/dbraw/zinc/03/03/83/569030383.db2.gz	RRPBDMOQEUVBAR-VBQJREDUSA-N	0	0	424.548	1.964	40	5		HDBBRN
Cc1ccccc1OCCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000223775279	569031607	/nfs/dbraw/zinc/03/16/07/569031607.db2.gz	YCAYNAMJJWIJNA-UHFFFAOYSA-N	0	0	407.448	1.864	40	5		HDBBRN
Cc1c(C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cccc1[N+](=O)[O-]	ZINC000224196152	569056235	/nfs/dbraw/zinc/05/62/35/569056235.db2.gz	CHANUSGWOFXVHQ-UHFFFAOYSA-N	0	0	407.448	1.962	40	5		HDBBRN
CSC1=NC(=O)C2=c3ccccc3=N[C@H](c3cc([N+](=O)[O-])ccc3Cl)N2N1	ZINC000588227488	569246185	/nfs/dbraw/zinc/24/61/85/569246185.db2.gz	MMUVMASCSBGNDG-HNNXBMFYSA-N	0	0	401.835	1.754	40	5		HDBBRN
CC1=C(C(=O)OCCO[N+](=O)[O-])[C@H](c2cccc([N+](=O)[O-])c2)C([N+](=O)[O-])=C(C)N1	ZINC000068606450	569399761	/nfs/dbraw/zinc/39/97/61/569399761.db2.gz	BAYMJBBLIJJTSR-AWEZNQCLSA-N	0	0	408.323	1.815	40	5		HDBBRN
COCc1n[nH]c(-n2ccc3nc4ccn(Cc5cccnc5)c(=O)c4cc3c2=O)n1	ZINC000040399008	523162083	/nfs/dbraw/zinc/16/20/83/523162083.db2.gz	FXSVQESUVBVDBM-UHFFFAOYSA-N	0	0	415.413	1.408	40	5		HDBBRN
O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC(=O)Nc2nc(N3CCCCC3)[nH]c(=O)c21	ZINC000020800119	527374744	/nfs/dbraw/zinc/37/47/44/527374744.db2.gz	FFUOXAFTTJHULD-ZDUSSCGKSA-N	0	0	412.406	1.733	40	5		HDBBRN
CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000408600045	559221436	/nfs/dbraw/zinc/22/14/36/559221436.db2.gz	SBWMWZJUPXSBOE-UHFFFAOYSA-N	0	0	406.468	1.769	40	5		HDBBRN
Cc1cc(C(=O)N2CC[C@]3(C2)COCc2cnc(NC4CC4)nc23)ncc1[N+](=O)[O-]	ZINC000306139243	568901288	/nfs/dbraw/zinc/90/12/88/568901288.db2.gz	STAZUABOROKNAD-FQEVSTJZSA-N	0	0	410.434	1.977	40	5		HDBBRN
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC	ZINC000016188390	569029744	/nfs/dbraw/zinc/02/97/44/569029744.db2.gz	OSDBYJFDPOMTRO-UHFFFAOYSA-N	0	0	409.420	1.871	40	5		HDBBRN
CS(=O)(=O)N(CC(=O)NCCOc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1	ZINC000223776459	569031640	/nfs/dbraw/zinc/03/16/40/569031640.db2.gz	CSNJXXBUMQNAFS-UHFFFAOYSA-N	0	0	411.411	1.695	40	5		HDBBRN
CCOc1ccc([N+](=O)[O-])cc1[C@@H]1N=c2ccccc2=C2C(=O)N=C(SC)NN21	ZINC000588225566	569246251	/nfs/dbraw/zinc/24/62/51/569246251.db2.gz	XRBWXOLVGCDLOJ-QGZVFWFLSA-N	0	0	411.443	1.500	40	5		HDBBRN
O=C(NC(=S)Nc1ncccc1O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000017082638	569273106	/nfs/dbraw/zinc/27/31/06/569273106.db2.gz	NXPYHYYXRRFCPS-UHFFFAOYSA-N	0	0	403.420	1.659	40	5		HDBBRN
COC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(OC)c(OC)c1	ZINC000224809571	569289987	/nfs/dbraw/zinc/28/99/87/569289987.db2.gz	VTJUHEXHSNOAAP-UHFFFAOYSA-N	0	0	410.404	1.980	40	5		HDBBRN
CCC(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1	ZINC000006386243	569331846	/nfs/dbraw/zinc/33/18/46/569331846.db2.gz	QQRLHJKJFLLJCP-UHFFFAOYSA-N	0	0	407.496	1.365	40	5		HDBBRN
COCc1n[nH]c(-n2ccc3nc4ccn(Cc5ccccn5)c(=O)c4cc3c2=O)n1	ZINC000040399007	523164479	/nfs/dbraw/zinc/16/44/79/523164479.db2.gz	RZGNZZNMMYFJPZ-UHFFFAOYSA-N	0	0	415.413	1.408	40	5		HDBBRN
O=c1c2cc3c(ccn(-c4ccccn4)c3=O)nc2ccn1CCN1CCOCC1	ZINC000038829011	558816102	/nfs/dbraw/zinc/81/61/02/558816102.db2.gz	OCOLJQIWJWEYGT-UHFFFAOYSA-N	0	0	403.442	1.428	40	5		HDBBRN
O=[N+]([O-])c1ccc(N2CCN(Cc3nnnn3Cc3ccc4c(c3)OCO4)CC2)cc1	ZINC000013505169	558824571	/nfs/dbraw/zinc/82/45/71/558824571.db2.gz	OXAPGVPQCKCAPH-UHFFFAOYSA-N	0	0	423.433	1.681	40	5		HDBBRN
CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000013565850	558843549	/nfs/dbraw/zinc/84/35/49/558843549.db2.gz	HUYJERMQHLWIPG-INIZCTEOSA-N	0	0	424.841	1.752	40	5		HDBBRN
CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	ZINC000408713205	559225094	/nfs/dbraw/zinc/22/50/94/559225094.db2.gz	NYKOWTWYHDYYOD-UHFFFAOYSA-N	0	0	406.420	1.100	40	5		HDBBRN
COC(=O)c1ccc(SCCC(=O)CNc2nc(N)nc(N)c2[N+](=O)[O-])cc1	ZINC000005386675	560577499	/nfs/dbraw/zinc/57/74/99/560577499.db2.gz	WBUIUKSSHSEQPZ-UHFFFAOYSA-N	0	0	406.424	1.499	40	5		HDBBRN
COC(=O)C1=C2C(=O)N(c3ccccc3C)C(=O)[C@]2(c2cccc([N+](=O)[O-])c2)NN1	ZINC000005549159	560607210	/nfs/dbraw/zinc/60/72/10/560607210.db2.gz	GNGNRDLEGYZPHX-FOIQADDNSA-N	0	0	408.370	1.420	40	5		HDBBRN
O=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000104580003	560851807	/nfs/dbraw/zinc/85/18/07/560851807.db2.gz	NRBLVWUJTCZMHI-UHFFFAOYSA-N	0	0	420.250	1.897	40	5		HDBBRN
Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC4)[nH]c(=O)c32)cc1[N+](=O)[O-]	ZINC000019961242	568586075	/nfs/dbraw/zinc/58/60/75/568586075.db2.gz	AWHHGKJENKKUOY-LBPRGKRZSA-N	0	0	412.406	1.651	40	5		HDBBRN
NC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1	ZINC000002556679	568782523	/nfs/dbraw/zinc/78/25/23/568782523.db2.gz	AMPDRPZPZHXQHZ-INIZCTEOSA-N	0	0	401.375	1.808	40	5		HDBBRN
CS(=O)(=O)N(CC(=O)NCCOCc1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000223775584	569031584	/nfs/dbraw/zinc/03/15/84/569031584.db2.gz	OAKUIXFNSUOQQD-UHFFFAOYSA-N	0	0	407.448	1.694	40	5		HDBBRN
COc1cc(C(=O)n2c(=O)oc(=O)c3cc([N+](=O)[O-])ccc32)cc(OC)c1OC	ZINC000001589268	569086083	/nfs/dbraw/zinc/08/60/83/569086083.db2.gz	OWJJUNFVCFMWGL-UHFFFAOYSA-N	0	0	402.315	1.577	40	5		HDBBRN
CCC[C@H]1N=c2s/c(=C/c3ccc([N+](=O)[O-])o3)c(=O)n2C(C)=C1C(=O)OCC	ZINC000108054128	569353341	/nfs/dbraw/zinc/35/33/41/569353341.db2.gz	CGDMDKLEUSJRSK-AUWXEVLLSA-N	0	0	405.432	1.836	40	5		HDBBRN
COC(=O)[C@H]1Sc2[nH]c(=O)sc2[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]1C(=O)OC	ZINC000009472178	569392951	/nfs/dbraw/zinc/39/29/51/569392951.db2.gz	DERPYVWALNEHPB-UMNHJUIQSA-N	0	0	410.429	1.913	40	5		HDBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1	ZINC000020040004	525467457	/nfs/dbraw/zinc/46/74/57/525467457.db2.gz	JZUFFESFJLRKCD-INIZCTEOSA-N	0	0	407.404	1.769	40	5		HDBBRN
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)Nc2nc(N3CCCCC3)[nH]c(=O)c21	ZINC000020800107	527260764	/nfs/dbraw/zinc/26/07/64/527260764.db2.gz	OGOUVTDSLUUFAC-CYBMUJFWSA-N	0	0	412.406	1.733	40	5		HDBBRN
O=C(C1=NO[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(O)=C12)c1ccc([N+](=O)[O-])cc1	ZINC000018206344	558833360	/nfs/dbraw/zinc/83/33/60/558833360.db2.gz	OHFWWHNIWSUOME-XJKSGUPXSA-N	0	0	410.298	1.630	40	5		HDBBRN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1cccc(C)c1)S(C)(=O)=O	ZINC000013672470	558853192	/nfs/dbraw/zinc/85/31/92/558853192.db2.gz	HXSXJSIHQMIULH-UHFFFAOYSA-N	0	0	407.448	1.994	40	5		HDBBRN
COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1	ZINC000408594443	559220210	/nfs/dbraw/zinc/22/02/10/559220210.db2.gz	RYNMCWVMQHKVCI-UHFFFAOYSA-N	0	0	423.447	1.845	40	5		HDBBRN
NC(=O)C[C@H](NC(=O)Oc1ccccc1)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1	ZINC000409002513	560664041	/nfs/dbraw/zinc/66/40/41/560664041.db2.gz	ODZXBMLYOQQANI-HNNXBMFYSA-N	0	0	415.358	1.353	40	5		HDBBRN
CS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1	ZINC000409252827	560703723	/nfs/dbraw/zinc/70/37/23/560703723.db2.gz	FBTWOYDSBLCGOJ-UHFFFAOYSA-N	0	0	407.404	1.406	40	5		HDBBRN
CC(=O)C[C@H](OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12	ZINC000409337126	560712472	/nfs/dbraw/zinc/71/24/72/560712472.db2.gz	XFNFWGILTSMFKI-QOSLBHJFSA-N	0	0	414.370	1.319	40	5		HDBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12	ZINC000014066668	560838163	/nfs/dbraw/zinc/83/81/63/560838163.db2.gz	UWZSQEJSFNNEGX-LNSDYSHSSA-N	0	0	423.447	1.928	40	5		HDBBRN
CC[C@@H](C(=O)Nc1ccccc1C(N)=O)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222525942	568761657	/nfs/dbraw/zinc/76/16/57/568761657.db2.gz	WNIJYUGRIRSJBI-INIZCTEOSA-N	0	0	420.447	1.877	40	5		HDBBRN
O=[N+]([O-])c1cccc(S(=O)(=O)NCCSc2nnnn2-c2ccccc2)c1	ZINC000059474536	568955651	/nfs/dbraw/zinc/95/56/51/568955651.db2.gz	XUFZKPRRYZQONW-UHFFFAOYSA-N	0	0	406.449	1.641	40	5		HDBBRN
COc1ccc(OCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	ZINC000223775867	569031608	/nfs/dbraw/zinc/03/16/08/569031608.db2.gz	RBINDGRCQCLJSB-UHFFFAOYSA-N	0	0	423.447	1.565	40	5		HDBBRN
COC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000225001986	569321922	/nfs/dbraw/zinc/32/19/22/569321922.db2.gz	XFEQAVXABSASHN-UHFFFAOYSA-N	0	0	410.404	1.980	40	5		HDBBRN
COC(=O)CN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225025913	569323701	/nfs/dbraw/zinc/32/37/01/569323701.db2.gz	PWQWGUSWWFBLSO-UHFFFAOYSA-N	0	0	408.388	1.750	40	5		HDBBRN
Cn1c2cc(NC(=O)CSc3ccc([N+](=O)[O-])cn3)c([N+](=O)[O-])cc2n(C)c1=O	ZINC000107965431	569353256	/nfs/dbraw/zinc/35/32/56/569353256.db2.gz	KNHUOXYCSMXCPT-UHFFFAOYSA-N	0	0	418.391	1.819	40	5		HDBBRN
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000010543710	569396581	/nfs/dbraw/zinc/39/65/81/569396581.db2.gz	OTPHMJNNMNLVRS-UHFFFAOYSA-N	0	0	411.461	1.597	40	5		HDBBRN
CC(=O)N[C@H](Cc1ccccc1)C(=O)NC1CCN(c2ncccc2[N+](=O)[O-])CC1	ZINC000019020101	569414183	/nfs/dbraw/zinc/41/41/83/569414183.db2.gz	MXFHSNLXGIIXNP-GOSISDBHSA-N	0	0	411.462	1.822	40	5		HDBBRN
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c1	ZINC000408643465	559223125	/nfs/dbraw/zinc/22/31/25/559223125.db2.gz	ABUCYJPOKXITMH-LBPRGKRZSA-N	0	0	417.374	1.727	40	5		HDBBRN
CC(C)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@H](C)O[C@H](C)[C@H]32)C1=O	ZINC000102770888	560825280	/nfs/dbraw/zinc/82/52/80/560825280.db2.gz	UCPQMLNEVWWEOG-YINZYUKRSA-N	0	0	416.434	1.606	40	5		HDBBRN
O=C(CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O)N1CCCC1	ZINC000106770105	560893805	/nfs/dbraw/zinc/89/38/05/560893805.db2.gz	AKDDITCSXPCRME-NSIKDUERSA-N	0	0	405.388	1.982	40	5		HDBBRN
CNC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000022278885	568765997	/nfs/dbraw/zinc/76/59/97/568765997.db2.gz	YVWQTTGLGOUMAM-UHFFFAOYSA-N	0	0	409.420	1.553	40	5		HDBBRN
COC(=O)CN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000224759818	569287418	/nfs/dbraw/zinc/28/74/18/569287418.db2.gz	QCIANINWRWDVJR-UHFFFAOYSA-N	0	0	408.388	1.750	40	5		HDBBRN
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N1CC(=O)Nc2ccccc21)S(C)(=O)=O	ZINC000010326029	569343658	/nfs/dbraw/zinc/34/36/58/569343658.db2.gz	WMZOTHNOKPRCIX-UHFFFAOYSA-N	0	0	418.431	1.655	40	5		HDBBRN
COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)N2CCOCC2)C1=O	ZINC000214260307	569371968	/nfs/dbraw/zinc/37/19/68/569371968.db2.gz	GLIMHUHLMVCERO-NTEUORMPSA-N	0	0	407.404	1.499	40	5		HDBBRN
COC(=O)C1CCN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)CC1	ZINC000010542155	569396575	/nfs/dbraw/zinc/39/65/75/569396575.db2.gz	DWNLHJPOAZESMU-UHFFFAOYSA-N	0	0	413.452	1.081	40	5		HDBBRN
Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)no1	ZINC000408672845	571307301	/nfs/dbraw/zinc/30/73/01/571307301.db2.gz	XMJMFHRXNJFWND-LBPRGKRZSA-N	0	0	402.363	1.734	40	5		HDBBRN
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCN(C)c1ccccc1)S(C)(=O)=O	ZINC000022374813	558988442	/nfs/dbraw/zinc/98/84/42/558988442.db2.gz	FUIJSYATCVYDCW-UHFFFAOYSA-N	0	0	420.491	1.922	40	5		HDBBRN
CC[NH+]1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000071980124	559163515	/nfs/dbraw/zinc/16/35/15/559163515.db2.gz	PJTGLRNCMMTYRW-CQSZACIVSA-N	0	0	408.367	1.241	40	5		HDBBRN
CC(=O)C[C@H](OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12	ZINC000409337127	559247710	/nfs/dbraw/zinc/24/77/10/559247710.db2.gz	XFNFWGILTSMFKI-YNIGFRRXSA-N	0	0	414.370	1.319	40	5		HDBBRN
COC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000113893376	569393520	/nfs/dbraw/zinc/39/35/20/569393520.db2.gz	LPHUSOKGAJEFKA-UHFFFAOYSA-N	0	0	410.404	1.980	40	5		HDBBRN
COCc1n[nH]c(-n2ccc3nc4ccn(Cc5ccco5)c(=O)c4cc3c2=O)n1	ZINC000040399003	523164525	/nfs/dbraw/zinc/16/45/25/523164525.db2.gz	KHMGNWCQYACQKQ-UHFFFAOYSA-N	0	0	404.386	1.606	40	5		HDBBRN
C[C@@H](C(=O)Nc1ccccc1C(N)=O)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000220414606	559076850	/nfs/dbraw/zinc/07/68/50/559076850.db2.gz	UPZFKVWPLGSQTI-NSHDSACASA-N	0	0	406.420	1.487	40	5		HDBBRN
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c1	ZINC000408643462	559223147	/nfs/dbraw/zinc/22/31/47/559223147.db2.gz	ABUCYJPOKXITMH-GFCCVEGCSA-N	0	0	417.374	1.727	40	5		HDBBRN
Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC4)nc(N)c32)cc1[N+](=O)[O-]	ZINC000019974116	568586270	/nfs/dbraw/zinc/58/62/70/568586270.db2.gz	YNRPWYVNVOKXKR-LBPRGKRZSA-N	0	0	411.422	1.940	40	5		HDBBRN
O=C(Nc1ccccc1[N+](=O)[O-])[C@H]1CC(=O)Nc2nc(N3CCCCC3)[nH]c(=O)c21	ZINC000022609943	568771797	/nfs/dbraw/zinc/77/17/97/568771797.db2.gz	LMKBPILYCXYRSX-NSHDSACASA-N	0	0	412.406	1.733	40	5		HDBBRN
CNS(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)c1	ZINC000226862513	568824851	/nfs/dbraw/zinc/82/48/51/568824851.db2.gz	GRXCFLUOGMLYDE-UHFFFAOYSA-N	0	0	403.413	1.751	40	5		HDBBRN
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccc2c(c1)OCO2)S(C)(=O)=O	ZINC000010331409	569343803	/nfs/dbraw/zinc/34/38/03/569343803.db2.gz	BCTSWHMPEXBHGZ-UHFFFAOYSA-N	0	0	421.431	1.714	40	5		HDBBRN
CC(=O)N1CCC(N2C[C@H](O)C[C@H]2c2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1	ZINC000015674827	291190374	/nfs/dbraw/zinc/19/03/74/291190374.db2.gz	ZHCZJHGKRLBEGB-SJORKVTESA-N	0	0	401.423	1.763	40	5	biogenic,in-vitro	HDBBRN
CC(C)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@H](C)O[C@@H](C)[C@H]32)C1=O	ZINC000009009579	132334916	/nfs/dbraw/zinc/33/49/16/132334916.db2.gz	UCPQMLNEVWWEOG-PUDLSGOKSA-N	0	0	416.434	1.606	40	5		HDBBRN
COC[C@H](C)NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	ZINC000408613744	557538027	/nfs/dbraw/zinc/53/80/27/557538027.db2.gz	XTVGUIPBBHZORL-AWEZNQCLSA-N	0	0	407.448	1.941	40	5		HDBBRN
COc1cc(C=O)ccc1OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C	ZINC000408599220	559221397	/nfs/dbraw/zinc/22/13/97/559221397.db2.gz	GAQJCPXOWDWTQQ-UHFFFAOYSA-N	0	0	414.374	1.624	40	5		HDBBRN
C[C@@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3ccc(Br)cc3[N+](=O)[O-])C(=O)[C@@H]12	ZINC000408734592	559225533	/nfs/dbraw/zinc/22/55/33/559225533.db2.gz	ZAEKDVHAEUYCJO-MPTQWLOMSA-N	0	0	409.192	1.553	40	5		HDBBRN
CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1	ZINC000005720547	560826499	/nfs/dbraw/zinc/82/64/99/560826499.db2.gz	OVKUTUIXIMOZKV-UHFFFAOYSA-N	0	0	404.448	1.929	40	5		HDBBRN
O=C(CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)OCc1ccc([N+](=O)[O-])cc1	ZINC000104821602	560855244	/nfs/dbraw/zinc/85/52/44/560855244.db2.gz	LNDOFMBMHDNPNP-UHFFFAOYSA-N	0	0	404.291	1.884	40	5		HDBBRN
Cn1c(COc2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)NC[C@H]1CCCO1	ZINC000000881577	568736745	/nfs/dbraw/zinc/73/67/45/568736745.db2.gz	UGSBMYIHSMCNKB-CQSZACIVSA-N	0	0	407.452	1.690	40	5		HDBBRN
CCc1c(C)nc(NC2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)[nH]c1=O	ZINC000057721654	568858852	/nfs/dbraw/zinc/85/88/52/568858852.db2.gz	JXTYDTAOHREKJC-UHFFFAOYSA-N	0	0	421.479	1.814	40	5		HDBBRN
O=C(NC[C@H]1CC[C@@]2(COCCN(Cc3ccc([N+](=O)[O-])o3)C2)O1)c1ccno1	ZINC000306144545	568901561	/nfs/dbraw/zinc/90/15/61/568901561.db2.gz	ZIIDYCAAAGBDRQ-FZKQIMNGSA-N	0	0	406.395	1.356	40	5		HDBBRN
O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000026533389	569032915	/nfs/dbraw/zinc/03/29/15/569032915.db2.gz	NYQKIMQDSDIMFJ-QGZVFWFLSA-N	0	0	415.446	1.881	40	5		HDBBRN
CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1	ZINC000016740359	569261935	/nfs/dbraw/zinc/26/19/35/569261935.db2.gz	HQTWSROMNRRDIC-UHFFFAOYSA-N	0	0	404.448	1.783	40	5		HDBBRN
CSCC[C@H](NC=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004899898	559198078	/nfs/dbraw/zinc/19/80/78/559198078.db2.gz	USMAYZXZOMUBJX-HOTGVXAUSA-N	0	0	410.496	1.932	40	5		HDBBRN
O=C(CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O)N1CCOCC1	ZINC000106692858	560893120	/nfs/dbraw/zinc/89/31/20/560893120.db2.gz	SXWSKHAINAQTQA-NSIKDUERSA-N	0	0	421.387	1.219	40	5		HDBBRN
NC(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1	ZINC000002556678	568782515	/nfs/dbraw/zinc/78/25/15/568782515.db2.gz	AMPDRPZPZHXQHZ-MRXNPFEDSA-N	0	0	401.375	1.808	40	5		HDBBRN
CCOC(=O)C1=C2C(=O)N(c3cccc(C)c3)C(=O)[C@@]2(c2cccc([N+](=O)[O-])c2)NN1	ZINC000016682649	569070225	/nfs/dbraw/zinc/07/02/25/569070225.db2.gz	YMBFBDYKMJKHOI-IERDGZPVSA-N	0	0	422.397	1.810	40	5		HDBBRN
CC(C)Cn1nnc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1	ZINC000017091433	569273562	/nfs/dbraw/zinc/27/35/62/569273562.db2.gz	MDYOFBMPRANQBC-UHFFFAOYSA-N	0	0	418.483	1.964	40	5		HDBBRN
O=C(CNC(=O)c1ccc(Cl)cc1)NCC(=O)OCc1ccc([N+](=O)[O-])cc1	ZINC000006526751	569333223	/nfs/dbraw/zinc/33/32/23/569333223.db2.gz	VPEYEAJFGOUKFT-UHFFFAOYSA-N	0	0	405.794	1.838	40	5		HDBBRN
CC(C)C(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1	ZINC000108022828	569353283	/nfs/dbraw/zinc/35/32/83/569353283.db2.gz	AETGQBCJWFEJOR-UHFFFAOYSA-N	0	0	421.523	1.611	40	5		HDBBRN
COc1ccc(CNC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1	ZINC000010336053	569395660	/nfs/dbraw/zinc/39/56/60/569395660.db2.gz	LLJNYYHGNKAHDV-UHFFFAOYSA-N	0	0	407.448	1.994	40	5		HDBBRN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N1CCc2ccccc21)S(C)(=O)=O	ZINC000010449295	569396060	/nfs/dbraw/zinc/39/60/60/569396060.db2.gz	NOKKGYBICMZESF-UHFFFAOYSA-N	0	0	405.432	1.959	40	5		HDBBRN
Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n12	ZINC000040114181	571168592	/nfs/dbraw/zinc/16/85/92/571168592.db2.gz	RWRGPSDMVQDJBB-UHFFFAOYSA-N	0	0	418.369	1.594	40	5		HDBBRN
C[C@H]1CN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]2[C@H](C)O1	ZINC000005377706	132305445	/nfs/dbraw/zinc/30/54/45/132305445.db2.gz	VIXMBQCARUTQKT-PGUXBMHVSA-N	0	0	402.407	1.170	40	5		HDBBRN
CCNc1nc2nc3ccc(C)cn3c(=O)c2cc1C(=O)NCCN1CCOCC1	ZINC000020051750	558328726	/nfs/dbraw/zinc/32/87/26/558328726.db2.gz	IZRSOPOLWIOSAJ-UHFFFAOYSA-N	0	0	410.478	1.045	40	5		HDBBRN
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1c3ccccc3C=CN1[C@@H]2C(N)=O	ZINC000101343796	560791996	/nfs/dbraw/zinc/79/19/96/560791996.db2.gz	AEDRUXHQYQPUDY-MKXGPGLRSA-N	0	0	418.409	1.904	40	5		HDBBRN
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(N)=O)N1C=Cc3ccccc3[C@@H]21	ZINC000101343794	560792006	/nfs/dbraw/zinc/79/20/06/560792006.db2.gz	AEDRUXHQYQPUDY-YRXWBPOGSA-N	0	0	418.409	1.904	40	5		HDBBRN
CSc1nnc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)s1	ZINC000225765657	568781142	/nfs/dbraw/zinc/78/11/42/568781142.db2.gz	VSRRFPKYJPQETE-MRVPVSSYSA-N	0	0	417.494	1.961	40	5		HDBBRN
CCc1cc(=O)[nH]c(NC2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1	ZINC000057721322	568858799	/nfs/dbraw/zinc/85/87/99/568858799.db2.gz	CLRJWGSYXITWNE-UHFFFAOYSA-N	0	0	407.452	1.506	40	5		HDBBRN
Cc1cc(C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)ccc1[N+](=O)[O-]	ZINC000224200112	569056203	/nfs/dbraw/zinc/05/62/03/569056203.db2.gz	HPBNIWCPSILNOV-UHFFFAOYSA-N	0	0	407.448	1.962	40	5		HDBBRN
CCSc1nnc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)s1	ZINC000224206916	569056327	/nfs/dbraw/zinc/05/63/27/569056327.db2.gz	HKZVRFPJYRCICB-UHFFFAOYSA-N	0	0	417.494	1.963	40	5		HDBBRN
CCOC(=O)C1=C2C(=O)N(c3cccc(C)c3)C(=O)[C@@]2(c2cccc([N+](=O)[O-])c2)NN1	ZINC000016682647	569070217	/nfs/dbraw/zinc/07/02/17/569070217.db2.gz	YMBFBDYKMJKHOI-KKSFZXQISA-N	0	0	422.397	1.810	40	5		HDBBRN
CSC1=NC(=O)C2=c3ccccc3=N[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)N2N1	ZINC000588228224	569246191	/nfs/dbraw/zinc/24/61/91/569246191.db2.gz	IQEZNCFFHWYIEU-HNNXBMFYSA-N	0	0	401.835	1.754	40	5		HDBBRN
O=C(CNC(=O)c1ccc(Cl)cc1)NCC(=O)OCc1cccc([N+](=O)[O-])c1	ZINC000006526541	569333187	/nfs/dbraw/zinc/33/31/87/569333187.db2.gz	ACHDLRKQCSVKTD-UHFFFAOYSA-N	0	0	405.794	1.838	40	5		HDBBRN
CS(=O)(=O)N(CC(=O)NC[C@@H]1COc2ccccc2O1)c1cccc([N+](=O)[O-])c1	ZINC000225247175	569376196	/nfs/dbraw/zinc/37/61/96/569376196.db2.gz	GIIBZJNFGQHPHB-OAHLLOKOSA-N	0	0	421.431	1.317	40	5		HDBBRN
COc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1[N+](=O)[O-]	ZINC000214274424	569379530	/nfs/dbraw/zinc/37/95/30/569379530.db2.gz	TVVOXQNNQPFRGZ-NTEUORMPSA-N	0	0	407.404	1.499	40	5		HDBBRN
COCc1n[nH]c(-n2ccc3nc4ccn(C[C@@H]5CCCO5)c(=O)c4cc3c2=O)n1	ZINC000040399001	523164108	/nfs/dbraw/zinc/16/41/08/523164108.db2.gz	WBKYHNVMYRMVLO-LBPRGKRZSA-N	0	0	408.418	1.144	40	5		HDBBRN
O=[N+]([O-])c1ccccc1N(C[C@H](O)CN1CCOCC1)S(=O)(=O)c1ccccc1	ZINC000019882261	527403102	/nfs/dbraw/zinc/40/31/02/527403102.db2.gz	DMWNKPHJXKKLSB-MRXNPFEDSA-N	0	0	421.475	1.483	40	5		HDBBRN
Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1ccccc1C(N)=O)S(C)(=O)=O	ZINC000220392200	559068892	/nfs/dbraw/zinc/06/88/92/559068892.db2.gz	BXRAHLQKSGAVSO-GFCCVEGCSA-N	0	0	420.447	1.795	40	5		HDBBRN
COC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O	ZINC000106757862	560893704	/nfs/dbraw/zinc/89/37/04/560893704.db2.gz	NVOTVKFYDZFMNY-ZROIWOOFSA-N	0	0	407.404	1.641	40	5		HDBBRN
COc1ccc(CNC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1	ZINC000220026637	568501364	/nfs/dbraw/zinc/50/13/64/568501364.db2.gz	OHRUGGVMCWXQCU-UHFFFAOYSA-N	0	0	407.448	1.994	40	5		HDBBRN
Cc1c(N(CC(=O)Nc2ccccc2C(N)=O)S(C)(=O)=O)cccc1[N+](=O)[O-]	ZINC000220032156	568501428	/nfs/dbraw/zinc/50/14/28/568501428.db2.gz	XUXKIZKXXXPIRJ-UHFFFAOYSA-N	0	0	406.420	1.407	40	5		HDBBRN
NC(=O)[C@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12	ZINC000033362045	568514317	/nfs/dbraw/zinc/51/43/17/568514317.db2.gz	OEFLGVMKOKDVDW-XLAORIBOSA-N	0	0	404.382	1.596	40	5		HDBBRN
Cc1ccc(OCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	ZINC000022347938	568766662	/nfs/dbraw/zinc/76/66/62/568766662.db2.gz	TXLMDLTWTRDLMH-UHFFFAOYSA-N	0	0	407.448	1.864	40	5		HDBBRN
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1	ZINC000223454395	569007350	/nfs/dbraw/zinc/00/73/50/569007350.db2.gz	AEAULXLDWRKJSV-UHFFFAOYSA-N	0	0	409.420	1.871	40	5		HDBBRN
O=C(C1=NO[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(O)=C12)c1ccc([N+](=O)[O-])cc1	ZINC000016400689	569041171	/nfs/dbraw/zinc/04/11/71/569041171.db2.gz	OHFWWHNIWSUOME-CZUORRHYSA-N	0	0	410.298	1.630	40	5		HDBBRN
CCOc1ccc([N+](=O)[O-])cc1[C@H]1N=c2ccccc2=C2C(=O)N=C(SC)NN21	ZINC000588225565	569246198	/nfs/dbraw/zinc/24/61/98/569246198.db2.gz	XRBWXOLVGCDLOJ-KRWDZBQOSA-N	0	0	411.443	1.500	40	5		HDBBRN
CCCn1nnnc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000017089748	569273871	/nfs/dbraw/zinc/27/38/71/569273871.db2.gz	OAGCDGAJZAJFJT-UHFFFAOYSA-N	0	0	414.245	1.881	40	5		HDBBRN
O=C(C[C@H]1C(=O)NCCN1C(=O)c1ccc(F)cc1)Nc1cccc([N+](=O)[O-])c1	ZINC000010384265	569395888	/nfs/dbraw/zinc/39/58/88/569395888.db2.gz	BRXCUWCQGATEDP-INIZCTEOSA-N	0	0	400.366	1.703	40	5		HDBBRN
Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)no1	ZINC000408672844	571307310	/nfs/dbraw/zinc/30/73/10/571307310.db2.gz	XMJMFHRXNJFWND-GFCCVEGCSA-N	0	0	402.363	1.734	40	5		HDBBRN
CCOC(=O)c1c(C)n[nH]c1-n1ccc2nc3ccn(CCOC)c(=O)c3cc2c1=O	ZINC000040399104	521399767	/nfs/dbraw/zinc/39/97/67/521399767.db2.gz	RXWMVLVJCIPHBX-UHFFFAOYSA-N	0	0	423.429	1.555	40	5		HDBBRN
Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1ccccc1C(N)=O)S(C)(=O)=O	ZINC000220392137	559068901	/nfs/dbraw/zinc/06/89/01/559068901.db2.gz	BXRAHLQKSGAVSO-LBPRGKRZSA-N	0	0	420.447	1.795	40	5		HDBBRN
COc1cc(C[C@@]2(c3cccc([N+](=O)[O-])c3)NC(N)=NC2=O)cc(OC)c1OC	ZINC000071974741	559163248	/nfs/dbraw/zinc/16/32/48/559163248.db2.gz	WMIFVJOKPVJMKF-IBGZPJMESA-N	0	0	400.391	1.503	40	5		HDBBRN
CCC[NH+]1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000071980274	559163510	/nfs/dbraw/zinc/16/35/10/559163510.db2.gz	YWDWBSPPNZGAPH-HNNXBMFYSA-N	0	0	422.394	1.631	40	5		HDBBRN
COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1	ZINC000408593942	559221410	/nfs/dbraw/zinc/22/14/10/559221410.db2.gz	QTXWGBBMCOLULX-UHFFFAOYSA-N	0	0	423.447	1.845	40	5		HDBBRN
C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3ccc(Br)cc3[N+](=O)[O-])C(=O)[C@@H]12	ZINC000408734591	559225510	/nfs/dbraw/zinc/22/55/10/559225510.db2.gz	ZAEKDVHAEUYCJO-KNPMLCFXSA-N	0	0	409.192	1.553	40	5		HDBBRN
O=C(C1=NO[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(O)=C12)c1ccc([N+](=O)[O-])cc1	ZINC000104819155	560855047	/nfs/dbraw/zinc/85/50/47/560855047.db2.gz	OHFWWHNIWSUOME-CJNGLKHVSA-N	0	0	410.298	1.630	40	5		HDBBRN
CN(CCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccccc1	ZINC000022347952	568766738	/nfs/dbraw/zinc/76/67/38/568766738.db2.gz	RXMLXHXVCWAERG-UHFFFAOYSA-N	0	0	406.464	1.613	40	5		HDBBRN
COc1cccc(OCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	ZINC000223775764	569031587	/nfs/dbraw/zinc/03/15/87/569031587.db2.gz	LOPJIMSSESVSDO-UHFFFAOYSA-N	0	0	423.447	1.565	40	5		HDBBRN
COC(=O)CN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000225002580	569321904	/nfs/dbraw/zinc/32/19/04/569321904.db2.gz	DHUJUTIYSUBRPU-UHFFFAOYSA-N	0	0	408.388	1.750	40	5		HDBBRN
COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)CCC2=O)c1	ZINC000007881746	569338137	/nfs/dbraw/zinc/33/81/37/569338137.db2.gz	RWYAABXRTMDOKW-UHFFFAOYSA-N	0	0	411.370	1.993	40	5		HDBBRN
CC(=O)N[C@H](Cc1cccn1C)C(=O)NC1CCN(c2ncccc2[N+](=O)[O-])CC1	ZINC000019020117	569414181	/nfs/dbraw/zinc/41/41/81/569414181.db2.gz	VTNFJFRMKMBJAJ-QGZVFWFLSA-N	0	0	414.466	1.161	40	5		HDBBRN
COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC	ZINC000035374714	557702908	/nfs/dbraw/zinc/70/29/08/557702908.db2.gz	XOHUUBQQCQPDMO-LLVKDONJSA-N	0	0	409.420	1.918	40	5		HDBBRN
COc1ccc(CNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1OC	ZINC000020493011	568613481	/nfs/dbraw/zinc/61/34/81/568613481.db2.gz	UZTIVQQKDCHHNL-UHFFFAOYSA-N	0	0	423.447	1.694	40	5		HDBBRN
Cc1cccc(OCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	ZINC000223775135	569031626	/nfs/dbraw/zinc/03/16/26/569031626.db2.gz	YNYGFDHLGXTAEZ-UHFFFAOYSA-N	0	0	407.448	1.864	40	5		HDBBRN
Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)OCc2ccccc2[N+](=O)[O-])cc1	ZINC000010000471	569342727	/nfs/dbraw/zinc/34/27/27/569342727.db2.gz	VUVMZVCUKIROGM-UHFFFAOYSA-N	0	0	421.431	1.041	40	5		HDBBRN
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C(=O)NC(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21	ZINC000018126639	569383713	/nfs/dbraw/zinc/38/37/13/569383713.db2.gz	LGKILSCEMDIKSY-MHORFTMASA-N	0	0	404.382	1.706	40	5		HDBBRN
CCCN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@@H](C)O[C@@H](C)[C@@H]32)C1=O	ZINC000009108954	132335815	/nfs/dbraw/zinc/33/58/15/132335815.db2.gz	XFCKPAHRJYWKFD-LPADPPLNSA-N	0	0	416.434	1.608	40	5		HDBBRN
Cn1c2cc(NC(=O)CN3C(=O)COc4ccccc43)c([N+](=O)[O-])cc2n(C)c1=O	ZINC000408599850	559221431	/nfs/dbraw/zinc/22/14/31/559221431.db2.gz	MQEGNTKIXUYOSS-UHFFFAOYSA-N	0	0	411.374	1.149	40	5		HDBBRN
CS(=O)(=O)N(CC(=O)NC[C@H]1COc2ccccc2O1)c1cccc([N+](=O)[O-])c1	ZINC000260893041	559278665	/nfs/dbraw/zinc/27/86/65/559278665.db2.gz	GIIBZJNFGQHPHB-HNNXBMFYSA-N	0	0	421.431	1.317	40	5		HDBBRN
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(N)=O)N3c4ccccc4C=C[C@H]3[C@H]2C1=O	ZINC000101342677	560793083	/nfs/dbraw/zinc/79/30/83/560793083.db2.gz	KEKUGUJXCCMEHX-AITUJVMLSA-N	0	0	418.409	1.778	40	5		HDBBRN
CCNC(=O)c1cc2c(nc3ccccn3c2=O)nc1NCCCN1CCOCC1	ZINC000013519045	560812139	/nfs/dbraw/zinc/81/21/39/560812139.db2.gz	WYCLNTCSKKVIPX-UHFFFAOYSA-N	0	0	410.478	1.127	40	5		HDBBRN
O=C(COC(=O)[C@@H]1C[C@H](O)CN1C(=O)Oc1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000000858093	568711653	/nfs/dbraw/zinc/71/16/53/568711653.db2.gz	IANBDZPKJSKICM-RDJZCZTQSA-N	0	0	414.370	1.955	40	5		HDBBRN
CCNC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000022278889	568765953	/nfs/dbraw/zinc/76/59/53/568765953.db2.gz	SOTSILYRKWTCRW-UHFFFAOYSA-N	0	0	423.447	1.943	40	5		HDBBRN
O=C1c2ccccc2S(=O)(=O)N1S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000016524402	569058508	/nfs/dbraw/zinc/05/85/08/569058508.db2.gz	HYISMLKUIGBXGA-UHFFFAOYSA-N	0	0	402.793	1.782	40	5		HDBBRN
Cc1cc(C)nc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1	ZINC000017090603	569274595	/nfs/dbraw/zinc/27/45/95/569274595.db2.gz	JEQPPGQFQJICOC-UHFFFAOYSA-N	0	0	416.463	1.965	40	5		HDBBRN
COC(=O)CN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000224745990	569286902	/nfs/dbraw/zinc/28/69/02/569286902.db2.gz	OHTZOSPFHZPIMZ-UHFFFAOYSA-N	0	0	408.388	1.750	40	5		HDBBRN
COc1ccccc1C(=O)N1CCNC(=O)[C@H]1CC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000009926933	569394616	/nfs/dbraw/zinc/39/46/16/569394616.db2.gz	VAKGAWRVZJBJRZ-MRXNPFEDSA-N	0	0	412.402	1.573	40	5		HDBBRN
CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCN(c2ncccc2[N+](=O)[O-])CC1	ZINC000019020098	569414134	/nfs/dbraw/zinc/41/41/34/569414134.db2.gz	MXFHSNLXGIIXNP-SFHVURJKSA-N	0	0	411.462	1.822	40	5		HDBBRN
Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n12	ZINC000040114136	571168521	/nfs/dbraw/zinc/16/85/21/571168521.db2.gz	ASHYWSOFDRSPAL-UHFFFAOYSA-N	0	0	418.369	1.594	40	5		HDBBRN
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000013676323	558853472	/nfs/dbraw/zinc/85/34/72/558853472.db2.gz	PSQWJQRLJKBGHO-UHFFFAOYSA-N	0	0	411.461	1.597	40	5		HDBBRN
Cn1c2cc(NC(=O)c3ccccc3[N+](=O)[O-])c(N3CCOCC3)cc2n(C)c1=O	ZINC000408530716	559214979	/nfs/dbraw/zinc/21/49/79/559214979.db2.gz	JMAVIKLBPLLHSS-UHFFFAOYSA-N	0	0	411.418	1.874	40	5		HDBBRN
COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1	ZINC000408597580	559221429	/nfs/dbraw/zinc/22/14/29/559221429.db2.gz	ZLIHILBGGIZFLG-UHFFFAOYSA-N	0	0	409.420	1.537	40	5		HDBBRN
COC(=O)C1=C2C(=O)N(c3ccccc3C)C(=O)[C@@]2(c2cccc([N+](=O)[O-])c2)NN1	ZINC000005549158	560607224	/nfs/dbraw/zinc/60/72/24/560607224.db2.gz	GNGNRDLEGYZPHX-QRWLVFNGSA-N	0	0	408.370	1.420	40	5		HDBBRN
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3C=Cc4ccccc4N3[C@H](C(N)=O)[C@@H]2C1=O	ZINC000101342678	560791994	/nfs/dbraw/zinc/79/19/94/560791994.db2.gz	KEKUGUJXCCMEHX-LULLPPNCSA-N	0	0	418.409	1.778	40	5		HDBBRN
COc1ccc(CNC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1	ZINC000014153645	560839140	/nfs/dbraw/zinc/83/91/40/560839140.db2.gz	XBPWTCKQGDZPKM-UHFFFAOYSA-N	0	0	423.447	1.694	40	5		HDBBRN
CN1C(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2C1=O	ZINC000006544645	569064614	/nfs/dbraw/zinc/06/46/14/569064614.db2.gz	QLQDNOSXAZJYKE-UHFFFAOYSA-N	0	0	410.386	1.910	40	5		HDBBRN
Cc1nn(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c(C)c1[N+](=O)[O-]	ZINC000008781128	569390215	/nfs/dbraw/zinc/39/02/15/569390215.db2.gz	CUCVLUAUTRIEBN-UHFFFAOYSA-N	0	0	423.451	1.068	40	5		HDBBRN
COc1ccccc1CNC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000113936689	569393674	/nfs/dbraw/zinc/39/36/74/569393674.db2.gz	DZNIAGQLWVEWAW-UHFFFAOYSA-N	0	0	423.447	1.694	40	5		HDBBRN
CNc1ccc([N+](=O)[O-])cc1C(=O)OCc1nnc2n1c1ccccc1c(=O)n2C	ZINC000012543787	569401742	/nfs/dbraw/zinc/40/17/42/569401742.db2.gz	WQTVRVCVHQCXED-UHFFFAOYSA-N	0	0	408.374	1.888	40	5		HDBBRN
O=c1c2cc3c(ccn(-c4cc[nH]n4)c3=O)nc2ccn1CCCN1CCOCC1	ZINC000040399058	527463480	/nfs/dbraw/zinc/46/34/80/527463480.db2.gz	FYBJQGUAPJTOFU-UHFFFAOYSA-N	0	0	406.446	1.146	40	5		HDBBRN
CC(=O)C[C@H](OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12	ZINC000409337128	559247847	/nfs/dbraw/zinc/24/78/47/559247847.db2.gz	XFNFWGILTSMFKI-ZPFYTHJMSA-N	0	0	414.370	1.319	40	5		HDBBRN
Cn1c(COc2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)NC[C@@H]1CCCO1	ZINC000000881579	568736697	/nfs/dbraw/zinc/73/66/97/568736697.db2.gz	UGSBMYIHSMCNKB-AWEZNQCLSA-N	0	0	407.452	1.690	40	5		HDBBRN
CN(C)C(=O)C[NH2+][C@@H]1CCCC[C@]12CN(Cc1ccc([O-])c([N+](=O)[O-])c1)CCO2	ZINC000306123784	568900757	/nfs/dbraw/zinc/90/07/57/568900757.db2.gz	AWPJOBHAFLWNEK-QUCCMNQESA-N	0	0	406.483	1.492	40	5		HDBBRN
O=C(OCCOCCNC1=NS(=O)(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1	ZINC000059417232	568953084	/nfs/dbraw/zinc/95/30/84/568953084.db2.gz	RYNLHNAACYDSDZ-UHFFFAOYSA-N	0	0	419.415	1.507	40	5		HDBBRN
CSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3cc([N+](=O)[O-])ccc3Cl)N2N1	ZINC000588227489	569246261	/nfs/dbraw/zinc/24/62/61/569246261.db2.gz	MMUVMASCSBGNDG-OAHLLOKOSA-N	0	0	401.835	1.754	40	5		HDBBRN
COC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000224754065	569287451	/nfs/dbraw/zinc/28/74/51/569287451.db2.gz	JACHPICUBCMPSV-UHFFFAOYSA-N	0	0	408.388	1.734	40	5		HDBBRN
COc1cccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)CCC2=O)c1	ZINC000008475267	569341247	/nfs/dbraw/zinc/34/12/47/569341247.db2.gz	RHAWRZPMGVFIJE-UHFFFAOYSA-N	0	0	411.370	1.993	40	5		HDBBRN
CC(=O)C[C@H](OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12	ZINC000033783082	569351413	/nfs/dbraw/zinc/35/14/13/569351413.db2.gz	XFNFWGILTSMFKI-QRXRQMIZSA-N	0	0	414.370	1.319	40	5		HDBBRN
O=C(C[C@@H]1C(=O)NCCN1C(=O)c1ccc(F)cc1)Nc1cccc([N+](=O)[O-])c1	ZINC000010384256	569395866	/nfs/dbraw/zinc/39/58/66/569395866.db2.gz	BRXCUWCQGATEDP-MRXNPFEDSA-N	0	0	400.366	1.703	40	5		HDBBRN
CSc1nnc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)s1	ZINC000225454208	569398123	/nfs/dbraw/zinc/39/81/23/569398123.db2.gz	RKPFMUPFISAMIN-UHFFFAOYSA-N	0	0	403.467	1.573	40	5		HDBBRN
CC1=C(C(=O)NCCO[N+](=O)[O-])[C@H](c2cccc([N+](=O)[O-])c2)C([N+](=O)[O-])=C(C)N1	ZINC000068606499	569399736	/nfs/dbraw/zinc/39/97/36/569399736.db2.gz	LGKOYMUTGBZNMD-AWEZNQCLSA-N	0	0	407.339	1.388	40	5		HDBBRN
COc1ccc(Cn2nnnc2CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000019556196	569422858	/nfs/dbraw/zinc/42/28/58/569422858.db2.gz	RRPXGTNGMLZTHI-UHFFFAOYSA-N	0	0	409.450	1.960	40	5		HDBBRN
CCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@@H](C)O[C@@H](C)[C@@H]32)C1=O	ZINC000009108953	132335784	/nfs/dbraw/zinc/33/57/84/132335784.db2.gz	XFCKPAHRJYWKFD-LLHLMSRXSA-N	0	0	416.434	1.608	40	5		HDBBRN
COCc1n[nH]c(-n2ccc3nc4ccn(C[C@H]5CCCO5)c(=O)c4cc3c2=O)n1	ZINC000040399002	523162599	/nfs/dbraw/zinc/16/25/99/523162599.db2.gz	WBKYHNVMYRMVLO-GFCCVEGCSA-N	0	0	408.418	1.144	40	5		HDBBRN
CCn1c(SCC(N)=O)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	ZINC000409134929	559242130	/nfs/dbraw/zinc/24/21/30/559242130.db2.gz	OQLJLUKHEHDYSY-AWEZNQCLSA-N	0	0	406.468	1.911	40	5		HDBBRN
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C(=O)NC(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21	ZINC000103516980	560842843	/nfs/dbraw/zinc/84/28/43/560842843.db2.gz	LGKILSCEMDIKSY-BDXSIMOUSA-N	0	0	404.382	1.706	40	5		HDBBRN
Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC4)[nH]c(=O)c32)cc1[N+](=O)[O-]	ZINC000019961238	568586288	/nfs/dbraw/zinc/58/62/88/568586288.db2.gz	AWHHGKJENKKUOY-GFCCVEGCSA-N	0	0	412.406	1.651	40	5		HDBBRN
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1[N+](=O)[O-]	ZINC000020407196	568604541	/nfs/dbraw/zinc/60/45/41/568604541.db2.gz	OITKBRLVBCDAFF-UHFFFAOYSA-N	0	0	420.403	1.916	40	5		HDBBRN
O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1	ZINC000022525083	568769632	/nfs/dbraw/zinc/76/96/32/568769632.db2.gz	CBKDNHKAZHAGAY-UHFFFAOYSA-N	0	0	419.459	1.971	40	5		HDBBRN
O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(N[C@@H]2CCCCNC2=O)c([N+](=O)[O-])c1	ZINC000004139576	568915490	/nfs/dbraw/zinc/91/54/90/568915490.db2.gz	PEXZHGUIYBDPEN-RCDWFSIISA-N	0	0	410.430	1.987	40	5		HDBBRN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C(=S)N[C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1	ZINC000016276684	569030411	/nfs/dbraw/zinc/03/04/11/569030411.db2.gz	RRPBDMOQEUVBAR-JJRVBVJISA-N	0	0	424.548	1.964	40	5		HDBBRN
CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1	ZINC000016740343	569261926	/nfs/dbraw/zinc/26/19/26/569261926.db2.gz	IZRLNFUIXGOMGX-UHFFFAOYSA-N	0	0	404.448	1.783	40	5		HDBBRN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccccc1C)S(C)(=O)=O	ZINC000113936686	569393655	/nfs/dbraw/zinc/39/36/55/569393655.db2.gz	YUHGBELBJADFBA-UHFFFAOYSA-N	0	0	407.448	1.994	40	5		HDBBRN
CSc1nnc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)s1	ZINC000225416736	569394845	/nfs/dbraw/zinc/39/48/45/569394845.db2.gz	SZCIDNNPDFZCAS-UHFFFAOYSA-N	0	0	417.494	1.881	40	5		HDBBRN
COCc1n[nH]c(-n2ccc3nc4ccn(-c5ccccn5)c(=O)c4cc3c2=O)n1	ZINC000040398974	523162874	/nfs/dbraw/zinc/16/28/74/523162874.db2.gz	BHPWCYJLMOVGQS-UHFFFAOYSA-N	0	0	401.386	1.349	40	5		HDBBRN
CCn1c2nnc(CNc3cc([N+](=O)[O-])ccc3NCCO)n2c2ccccc2c1=O	ZINC000023057901	558994860	/nfs/dbraw/zinc/99/48/60/558994860.db2.gz	NPPFVTCRZIIQGH-UHFFFAOYSA-N	0	0	423.433	1.989	40	5		HDBBRN
O=C(OCN1C(=O)c2ccccc2C1=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	ZINC000408662016	559223740	/nfs/dbraw/zinc/22/37/40/559223740.db2.gz	MJSANZJCGWEUBJ-LBPRGKRZSA-N	0	0	409.354	1.745	40	5		HDBBRN
CCn1c(SCC(N)=O)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	ZINC000409134932	559241709	/nfs/dbraw/zinc/24/17/09/559241709.db2.gz	OQLJLUKHEHDYSY-CQSZACIVSA-N	0	0	406.468	1.911	40	5		HDBBRN
O=C(COC(=O)[C@H]1C[C@H](O)CN1C(=O)Oc1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000000858094	568711590	/nfs/dbraw/zinc/71/15/90/568711590.db2.gz	IANBDZPKJSKICM-DOTOQJQBSA-N	0	0	414.370	1.955	40	5		HDBBRN
C[C@H](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O	ZINC000003065003	568852606	/nfs/dbraw/zinc/85/26/06/568852606.db2.gz	NEBLLYAQXOVEDG-SECBINFHSA-N	0	0	424.325	1.784	40	5		HDBBRN
CN(C)C(=O)C[NH2+][C@@H]1CCCC[C@@]12CN(Cc1ccc([O-])c([N+](=O)[O-])c1)CCO2	ZINC000306123785	568900744	/nfs/dbraw/zinc/90/07/44/568900744.db2.gz	AWPJOBHAFLWNEK-UYAOXDASSA-N	0	0	406.483	1.492	40	5		HDBBRN
O=C(NC[C@@H]1CC[C@@]2(COCCN(Cc3ccc([N+](=O)[O-])o3)C2)O1)c1ccno1	ZINC000306144546	568901547	/nfs/dbraw/zinc/90/15/47/568901547.db2.gz	ZIIDYCAAAGBDRQ-SCLBCKFNSA-N	0	0	406.395	1.356	40	5		HDBBRN
CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)CO[C@H]1n1ccc2cc([N+](=O)[O-])ccc21	ZINC000006073954	568992132	/nfs/dbraw/zinc/99/21/32/568992132.db2.gz	VCVRZLCSAQZAAQ-WJFTUGDTSA-N	0	0	420.374	1.873	40	5		HDBBRN
CSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)N2N1	ZINC000588228225	569246247	/nfs/dbraw/zinc/24/62/47/569246247.db2.gz	IQEZNCFFHWYIEU-OAHLLOKOSA-N	0	0	401.835	1.754	40	5		HDBBRN
O=C(NC(=S)NCc1cccnc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000017082183	569273064	/nfs/dbraw/zinc/27/30/64/569273064.db2.gz	HPIRWDJMKVESSR-UHFFFAOYSA-N	0	0	401.448	1.631	40	5		HDBBRN
COC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000224898701	569293698	/nfs/dbraw/zinc/29/36/98/569293698.db2.gz	LOCSYLFTMFAUSN-UHFFFAOYSA-N	0	0	407.404	1.922	40	5		HDBBRN
Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1	ZINC000010040832	569342719	/nfs/dbraw/zinc/34/27/19/569342719.db2.gz	YHBXWSLLQYCSQE-UHFFFAOYSA-N	0	0	421.431	1.041	40	5		HDBBRN
COC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000113892679	569393487	/nfs/dbraw/zinc/39/34/87/569393487.db2.gz	UAPBUNPFUDLIHH-UHFFFAOYSA-N	0	0	410.404	1.980	40	5		HDBBRN
CCSc1n[nH]c(-n2ccc3nc4ccn(CCCOC)c(=O)c4cc3c2=O)n1	ZINC000040398919	521783841	/nfs/dbraw/zinc/78/38/41/521783841.db2.gz	GCTJWDDZAHROFM-UHFFFAOYSA-N	0	0	412.475	1.967	40	5		HDBBRN
COC(=O)c1cccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	ZINC000013632409	558848776	/nfs/dbraw/zinc/84/87/76/558848776.db2.gz	CAUKKZYDWNENLY-UHFFFAOYSA-N	0	0	407.404	1.786	40	5		HDBBRN
Cc1c(N(CC(=O)NCc2ccc3c(c2)OCO3)S(C)(=O)=O)cccc1[N+](=O)[O-]	ZINC000220030217	558945783	/nfs/dbraw/zinc/94/57/83/558945783.db2.gz	BMWXWCUYFQUQHZ-UHFFFAOYSA-N	0	0	421.431	1.714	40	5		HDBBRN
C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000220411457	559076711	/nfs/dbraw/zinc/07/67/11/559076711.db2.gz	KXJVJIKHWJDVLF-LBPRGKRZSA-N	0	0	421.431	1.794	40	5		HDBBRN
C[C@H](C(=O)Nc1ccccc1C(N)=O)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000220414664	559076834	/nfs/dbraw/zinc/07/68/34/559076834.db2.gz	UPZFKVWPLGSQTI-LLVKDONJSA-N	0	0	406.420	1.487	40	5		HDBBRN
COc1cc(C[C@@]2(c3ccc([N+](=O)[O-])cc3)NC(N)=NC2=O)cc(OC)c1OC	ZINC000071974610	559163267	/nfs/dbraw/zinc/16/32/67/559163267.db2.gz	UXCVZNLUCDDLIR-IBGZPJMESA-N	0	0	400.391	1.503	40	5		HDBBRN
C[C@@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3ccc(Br)cc3[N+](=O)[O-])C(=O)[C@H]12	ZINC000408734593	559225776	/nfs/dbraw/zinc/22/57/76/559225776.db2.gz	ZAEKDVHAEUYCJO-VZAMPYOESA-N	0	0	409.192	1.553	40	5		HDBBRN
O=C(COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000000858095	568711691	/nfs/dbraw/zinc/71/16/91/568711691.db2.gz	IANBDZPKJSKICM-WBVHZDCISA-N	0	0	414.370	1.955	40	5		HDBBRN
CCn1ncc(CN2CCN(C(=O)CCn3nc(C)c([N+](=O)[O-])c3C)CC2)c1C	ZINC000022418546	568767795	/nfs/dbraw/zinc/76/77/95/568767795.db2.gz	SSMQCKAFVWECRG-UHFFFAOYSA-N	0	0	403.487	1.667	40	5		HDBBRN
Cc1nn(C)c(C(=O)Nn2cnc3ccc([N+](=O)[O-])cc3c2=N)c1Br	ZINC000002808584	568810991	/nfs/dbraw/zinc/81/09/91/568810991.db2.gz	FAZDLFRSGQEXNM-UHFFFAOYSA-N	0	0	406.200	1.612	40	5		HDBBRN
COCCNC(=O)c1ccccc1NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000147601097	569052448	/nfs/dbraw/zinc/05/24/48/569052448.db2.gz	DQBRSCDWCZGYTQ-UHFFFAOYSA-N	0	0	403.391	1.997	40	5		HDBBRN
COC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225032662	569323831	/nfs/dbraw/zinc/32/38/31/569323831.db2.gz	BIKRGWVQEGADHH-UHFFFAOYSA-N	0	0	408.388	1.734	40	5		HDBBRN
COC(=O)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)c2sc(=O)[nH]c2S[C@@H]1C(=O)OC	ZINC000009472180	569392936	/nfs/dbraw/zinc/39/29/36/569392936.db2.gz	DERPYVWALNEHPB-NHCYSSNCSA-N	0	0	410.429	1.913	40	5		HDBBRN
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC(=O)Nc2nc(N3CCCCC3)[nH]c(=O)c21	ZINC000020800115	527375043	/nfs/dbraw/zinc/37/50/43/527375043.db2.gz	FFUOXAFTTJHULD-CYBMUJFWSA-N	0	0	412.406	1.733	40	5		HDBBRN
Cn1c2cc(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)c([N+](=O)[O-])cc2n(C)c1=O	ZINC000408530448	559215061	/nfs/dbraw/zinc/21/50/61/559215061.db2.gz	LCUAGRXJFWNANM-ZSOIEALJSA-N	0	0	407.386	1.878	40	5		HDBBRN
CCOC(=O)c1ccc(NC(=O)C(=O)NCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	ZINC000408555927	559217993	/nfs/dbraw/zinc/21/79/93/559217993.db2.gz	XSUQYCJVGMFUIU-UHFFFAOYSA-N	0	0	414.374	1.465	40	5		HDBBRN
O=C(NC(=S)NCc1cccnc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000408621176	559221827	/nfs/dbraw/zinc/22/18/27/559221827.db2.gz	LHSDEUAHQOLYOG-UHFFFAOYSA-N	0	0	401.448	1.631	40	5		HDBBRN
C[C@@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@H]12	ZINC000408975059	559236364	/nfs/dbraw/zinc/23/63/64/559236364.db2.gz	JHJDZSXFBBIKDU-VZAMPYOESA-N	0	0	409.192	1.553	40	5		HDBBRN
COc1ccc(N(CC(=O)N(C)C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	ZINC000022278903	568765840	/nfs/dbraw/zinc/76/58/40/568765840.db2.gz	NQUJAUMZWMFKTO-UHFFFAOYSA-N	0	0	423.447	1.896	40	5		HDBBRN
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000059014086	568881755	/nfs/dbraw/zinc/88/17/55/568881755.db2.gz	IDFOJMTZDXHTCE-UHFFFAOYSA-N	0	0	405.432	1.797	40	5		HDBBRN
COC(=O)CSc1nnc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)s1	ZINC000223132355	568914922	/nfs/dbraw/zinc/91/49/22/568914922.db2.gz	XPLSBLUOJAIXQC-UHFFFAOYSA-N	0	0	414.421	1.738	40	5		HDBBRN
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCOc1ccccc1)S(C)(=O)=O	ZINC000224057681	569041806	/nfs/dbraw/zinc/04/18/06/569041806.db2.gz	IIHJTPAKCLXOML-UHFFFAOYSA-N	0	0	407.448	1.864	40	5		HDBBRN
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)Cc2ccccc2[N+](=O)[O-])cc1	ZINC000224200555	569056347	/nfs/dbraw/zinc/05/63/47/569056347.db2.gz	ZBHBHRZNKOOCCN-UHFFFAOYSA-N	0	0	407.448	1.583	40	5		HDBBRN
CCOC(=O)C1=C2C(=O)N(c3cccc(C)c3)C(=O)[C@]2(c2cccc([N+](=O)[O-])c2)NN1	ZINC000016682650	569070273	/nfs/dbraw/zinc/07/02/73/569070273.db2.gz	YMBFBDYKMJKHOI-IIBYNOLFSA-N	0	0	422.397	1.810	40	5		HDBBRN
Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)OCc2cccc([N+](=O)[O-])c2)cc1	ZINC000010042619	569342773	/nfs/dbraw/zinc/34/27/73/569342773.db2.gz	XMQZJXPNLFQQTJ-UHFFFAOYSA-N	0	0	421.431	1.041	40	5		HDBBRN
Cc1c(N(CC(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)cccc1[N+](=O)[O-]	ZINC000220034785	558945378	/nfs/dbraw/zinc/94/53/78/558945378.db2.gz	XWFGHASCFCLMGV-UHFFFAOYSA-N	0	0	420.491	1.922	40	5		HDBBRN
CCOC(=O)CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C1=O	ZINC000408528564	559214978	/nfs/dbraw/zinc/21/49/78/559214978.db2.gz	GOKZAMWVPLSYTN-MLPAPPSSSA-N	0	0	420.403	1.385	40	5		HDBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(CN2CCOCC2)n1C	ZINC000409216008	560697103	/nfs/dbraw/zinc/69/71/03/560697103.db2.gz	HETQJKNYOGMHHH-UHFFFAOYSA-N	0	0	406.468	1.595	40	5		HDBBRN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccc(F)cc1)S(C)(=O)=O	ZINC000019931691	568585696	/nfs/dbraw/zinc/58/56/96/568585696.db2.gz	SJUNLLMOIZLCIX-UHFFFAOYSA-N	0	0	411.411	1.825	40	5		HDBBRN
O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCc1nc2ccccc2[nH]1	ZINC000000943326	568753486	/nfs/dbraw/zinc/75/34/86/568753486.db2.gz	GJACQMDDKOCXLS-UHFFFAOYSA-N	0	0	407.386	1.816	40	5		HDBBRN
COCCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000022278833	568765971	/nfs/dbraw/zinc/76/59/71/568765971.db2.gz	ONPVMXSEWLZPCK-UHFFFAOYSA-N	0	0	407.448	1.943	40	5		HDBBRN
CN1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)CC1	ZINC000216884688	568836840	/nfs/dbraw/zinc/83/68/40/568836840.db2.gz	ZQNUDWGQCVNWEO-UHFFFAOYSA-N	0	0	418.475	1.924	40	5		HDBBRN
CCOc1ccc(C(=O)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-]	ZINC000017093885	569273875	/nfs/dbraw/zinc/27/38/75/569273875.db2.gz	XPAIOGJVNNDRSS-UHFFFAOYSA-N	0	0	424.460	1.768	40	5		HDBBRN
COC(=O)CN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000224748419	569287020	/nfs/dbraw/zinc/28/70/20/569287020.db2.gz	QIFVZVAWFNEILS-UHFFFAOYSA-N	0	0	408.388	1.750	40	5		HDBBRN
Cc1nc(NC2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)[nH]c(=O)c1C	ZINC000057721219	559171840	/nfs/dbraw/zinc/17/18/40/559171840.db2.gz	PMCRECNKXIXWSX-UHFFFAOYSA-N	0	0	407.452	1.560	40	5		HDBBRN
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)c1	ZINC000408662147	559223756	/nfs/dbraw/zinc/22/37/56/559223756.db2.gz	NALCBFXUBKWWGZ-UHFFFAOYSA-N	0	0	413.342	1.381	40	5		HDBBRN
COC(=O)C1=C2C(=O)N(c3ccccc3C)C(=O)[C@]2(c2cccc([N+](=O)[O-])c2)NN1	ZINC000005549152	560607233	/nfs/dbraw/zinc/60/72/33/560607233.db2.gz	GNGNRDLEGYZPHX-MGPUTAFESA-N	0	0	408.370	1.420	40	5		HDBBRN
COC(=O)c1ccccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000409026118	560668056	/nfs/dbraw/zinc/66/80/56/560668056.db2.gz	GVACEWGWYIASAX-UHFFFAOYSA-N	0	0	407.404	1.786	40	5		HDBBRN
Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)cc1	ZINC000005392559	560737493	/nfs/dbraw/zinc/73/74/93/560737493.db2.gz	AYDKYYIHRTZKSK-UHFFFAOYSA-N	0	0	403.460	1.979	40	5		HDBBRN
O=C(C1=NO[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(O)=C12)c1ccc([N+](=O)[O-])cc1	ZINC000104819158	560854988	/nfs/dbraw/zinc/85/49/88/560854988.db2.gz	OHFWWHNIWSUOME-BBRMVZONSA-N	0	0	410.298	1.630	40	5		HDBBRN
Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC4)nc(N)c32)cc1[N+](=O)[O-]	ZINC000019974115	568586116	/nfs/dbraw/zinc/58/61/16/568586116.db2.gz	YNRPWYVNVOKXKR-GFCCVEGCSA-N	0	0	411.422	1.940	40	5		HDBBRN
CS(=O)(=O)N(CCCC(=O)Nc1ccccc1C(N)=O)c1cccc([N+](=O)[O-])c1	ZINC000222365364	568751240	/nfs/dbraw/zinc/75/12/40/568751240.db2.gz	CYIUVEMYFWEKRM-UHFFFAOYSA-N	0	0	420.447	1.879	40	5		HDBBRN
CCn1nnc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1	ZINC000057316569	568826401	/nfs/dbraw/zinc/82/64/01/568826401.db2.gz	WQSAOIMLLUYVPZ-UHFFFAOYSA-N	0	0	404.456	1.718	40	5		HDBBRN
CN(C)C(=O)C[NH2+][C@H]1CCCC[C@@]12CN(Cc1ccc([O-])c([N+](=O)[O-])c1)CCO2	ZINC000306123782	568900485	/nfs/dbraw/zinc/90/04/85/568900485.db2.gz	AWPJOBHAFLWNEK-AZUAARDMSA-N	0	0	406.483	1.492	40	5		HDBBRN
Cc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1[N+](=O)[O-]	ZINC000224197109	569056217	/nfs/dbraw/zinc/05/62/17/569056217.db2.gz	QXVZHWBPYUFEPT-UHFFFAOYSA-N	0	0	407.448	1.962	40	5		HDBBRN
COC(=O)[C@@H]1[C@@H](C(=O)OC)Sc2[nH]c(=O)sc2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000016713005	569261334	/nfs/dbraw/zinc/26/13/34/569261334.db2.gz	DERPYVWALNEHPB-SCVCMEIPSA-N	0	0	410.429	1.913	40	5		HDBBRN
COC(=O)CN(c1ccccc1C(=O)OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000225000505	569321921	/nfs/dbraw/zinc/32/19/21/569321921.db2.gz	CIEWJKAGVNMSQU-UHFFFAOYSA-N	0	0	408.388	1.750	40	5		HDBBRN
O=C(CNC(=O)c1ccc(Cl)cc1)NCC(=O)OCc1ccccc1[N+](=O)[O-]	ZINC000006227060	569330041	/nfs/dbraw/zinc/33/00/41/569330041.db2.gz	WIBLCOBYDDKPBZ-UHFFFAOYSA-N	0	0	405.794	1.838	40	5		HDBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1	ZINC000020040007	525469823	/nfs/dbraw/zinc/46/98/23/525469823.db2.gz	JZUFFESFJLRKCD-MRXNPFEDSA-N	0	0	407.404	1.769	40	5		HDBBRN
CSc1n[nH]c(-n2ccc3nc4ccn(Cc5ccncc5)c(=O)c4cc3c2=O)n1	ZINC000040398882	526205454	/nfs/dbraw/zinc/20/54/54/526205454.db2.gz	FDMVXAIFPILWQT-UHFFFAOYSA-N	0	0	417.454	1.984	40	5		HDBBRN
NC(=O)C[C@@H](NC(=O)Oc1ccccc1)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1	ZINC000409002514	559237336	/nfs/dbraw/zinc/23/73/36/559237336.db2.gz	ODZXBMLYOQQANI-OAHLLOKOSA-N	0	0	415.358	1.353	40	5		HDBBRN
COC(=O)C1=C2C(=O)N(c3ccccc3C)C(=O)[C@@]2(c2cccc([N+](=O)[O-])c2)NN1	ZINC000005549151	560607179	/nfs/dbraw/zinc/60/71/79/560607179.db2.gz	GNGNRDLEGYZPHX-YWZLYKJASA-N	0	0	408.370	1.420	40	5		HDBBRN
O=C(CNC(=O)OCc1ccccc1)NCC(=O)OCc1ccc([N+](=O)[O-])cc1	ZINC000005603313	560628902	/nfs/dbraw/zinc/62/89/02/560628902.db2.gz	FAWWGNIGFCAOLA-UHFFFAOYSA-N	0	0	401.375	1.681	40	5		HDBBRN
O=C(Cn1cc([N+](=O)[O-])cn1)N1C[C@@]2(F)C(=O)N(Cc3ccccc3)C[C@@]2(F)C1	ZINC000306123660	568900735	/nfs/dbraw/zinc/90/07/35/568900735.db2.gz	ATGKJMKFZXSBBW-QZTJIDSGSA-N	0	0	405.361	1.093	40	5		HDBBRN
COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c1	ZINC000016188388	569029698	/nfs/dbraw/zinc/02/96/98/569029698.db2.gz	QYYNRLDMFOKTEW-UHFFFAOYSA-N	0	0	409.420	1.871	40	5		HDBBRN
COC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000224837868	569292082	/nfs/dbraw/zinc/29/20/82/569292082.db2.gz	DBQOKHNBICTSHR-UHFFFAOYSA-N	0	0	408.388	1.734	40	5		HDBBRN
COC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000225007696	569322031	/nfs/dbraw/zinc/32/20/31/569322031.db2.gz	XUTMYLHZWNXQFO-UHFFFAOYSA-N	0	0	408.388	1.734	40	5		HDBBRN
COC(=O)CN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000225012899	569323425	/nfs/dbraw/zinc/32/34/25/569323425.db2.gz	AGJKFGCYDKRSHM-UHFFFAOYSA-N	0	0	408.388	1.750	40	5		HDBBRN
COC(=O)CN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225038127	569323525	/nfs/dbraw/zinc/32/35/25/569323525.db2.gz	ODWWIXDMBGFSFJ-UHFFFAOYSA-N	0	0	408.388	1.750	40	5		HDBBRN
CSc1nnc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)s1	ZINC000225765675	526228072	/nfs/dbraw/zinc/22/80/72/526228072.db2.gz	VSRRFPKYJPQETE-QMMMGPOBSA-N	0	0	417.494	1.961	40	5		HDBBRN
COC(=O)C1CCN(C(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)CC1	ZINC000220418764	559076954	/nfs/dbraw/zinc/07/69/54/559076954.db2.gz	VVPLWVZHDZDMSV-LBPRGKRZSA-N	0	0	413.452	1.161	40	5		HDBBRN
CCC[NH+]1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000071980275	559163506	/nfs/dbraw/zinc/16/35/06/559163506.db2.gz	YWDWBSPPNZGAPH-OAHLLOKOSA-N	0	0	422.394	1.631	40	5		HDBBRN
O=Cc1ccc([N-]c2nc(Nc3ccccc3)nc(N3CCOCC3)n2)c([N+](=O)[O-])c1	ZINC000408674991	559224148	/nfs/dbraw/zinc/22/41/48/559224148.db2.gz	OIMVWKMNIRIEIX-UHFFFAOYSA-N	0	0	421.417	1.760	40	5		HDBBRN
CCc1cc(=O)[nH]c(NC2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)n1	ZINC000057721315	568496143	/nfs/dbraw/zinc/49/61/43/568496143.db2.gz	AQFXXFZMQMZLID-UHFFFAOYSA-N	0	0	407.452	1.506	40	5		HDBBRN
CCOC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000003040520	568847762	/nfs/dbraw/zinc/84/77/62/568847762.db2.gz	JSCRYBWZAFNSLA-SJORKVTESA-N	0	0	408.432	1.847	40	5		HDBBRN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCOc1ccccc1)S(C)(=O)=O	ZINC000223881317	569032143	/nfs/dbraw/zinc/03/21/43/569032143.db2.gz	NQIMEPAUVUCYNC-UHFFFAOYSA-N	0	0	423.447	1.565	40	5		HDBBRN
O=[N+]([O-])c1ccc(OC[C@@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1	ZINC000026781539	569056611	/nfs/dbraw/zinc/05/66/11/569056611.db2.gz	ZXYGAULAYUVPAM-SFHVURJKSA-N	0	0	415.446	1.881	40	5		HDBBRN
COC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(OC)cc1	ZINC000224864157	569293343	/nfs/dbraw/zinc/29/33/43/569293343.db2.gz	VUQAWUXJGUUIHL-UHFFFAOYSA-N	0	0	410.404	1.980	40	5		HDBBRN
COC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225023576	569323711	/nfs/dbraw/zinc/32/37/11/569323711.db2.gz	UTHPACNWDUKUFJ-UHFFFAOYSA-N	0	0	410.404	1.980	40	5		HDBBRN
COC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000113894048	569393463	/nfs/dbraw/zinc/39/34/63/569393463.db2.gz	XDEALGPESCNRLT-UHFFFAOYSA-N	0	0	410.404	1.980	40	5		HDBBRN
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccccc1C(N)=O)S(C)(=O)=O	ZINC000010324775	569395687	/nfs/dbraw/zinc/39/56/87/569395687.db2.gz	YBLKUQDGZMOZFN-UHFFFAOYSA-N	0	0	406.420	1.407	40	5		HDBBRN
COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC	ZINC000035374710	557702897	/nfs/dbraw/zinc/70/28/97/557702897.db2.gz	XOHUUBQQCQPDMO-NSHDSACASA-N	0	0	409.420	1.918	40	5		HDBBRN
C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@@H]12	ZINC000408975057	559236373	/nfs/dbraw/zinc/23/63/73/559236373.db2.gz	JHJDZSXFBBIKDU-KNPMLCFXSA-N	0	0	409.192	1.553	40	5		HDBBRN
CCOC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000003040517	568847834	/nfs/dbraw/zinc/84/78/34/568847834.db2.gz	JSCRYBWZAFNSLA-IAGOWNOFSA-N	0	0	408.432	1.847	40	5		HDBBRN
O=C1NC[C@@]2(F)CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@]12F	ZINC000306136303	568901299	/nfs/dbraw/zinc/90/12/99/568901299.db2.gz	PPJLBZUJPQBHAX-VXGBXAGGSA-N	0	0	415.296	1.164	40	5		HDBBRN
CC(=O)O[C@@H]1CO[C@@H](n2ccc3cc([N+](=O)[O-])ccc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000006073937	568992112	/nfs/dbraw/zinc/99/21/12/568992112.db2.gz	VCVRZLCSAQZAAQ-NCXUSEDFSA-N	0	0	420.374	1.873	40	5		HDBBRN
NC(=O)[C@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12	ZINC000027076015	569072899	/nfs/dbraw/zinc/07/28/99/569072899.db2.gz	OEFLGVMKOKDVDW-WNRNVDISSA-N	0	0	404.382	1.596	40	5		HDBBRN
O=C(CN1C(=O)SC(=C2SC(=O)NC2=O)C1=O)Nc1cccc([N+](=O)[O-])c1	ZINC000065090534	569391175	/nfs/dbraw/zinc/39/11/75/569391175.db2.gz	ZUQVYSVZKCTQRE-MDZDMXLPSA-N	0	0	408.373	1.423	40	5		HDBBRN
CSc1n[nH]c(-n2ccc3nc4ccn(Cc5ccccn5)c(=O)c4cc3c2=O)n1	ZINC000040398880	526206131	/nfs/dbraw/zinc/20/61/31/526206131.db2.gz	MBAFLKPVDQIOGE-UHFFFAOYSA-N	0	0	417.454	1.984	40	5		HDBBRN
CSc1nnc(NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)s1	ZINC000225459728	526227844	/nfs/dbraw/zinc/22/78/44/526227844.db2.gz	ASPQNANFOAUOTK-UHFFFAOYSA-N	0	0	417.494	1.881	40	5		HDBBRN
Cc1ccc(S(=O)(=O)Nc2ccc3nc4c(nc3c2)n(C)c(=O)n(C)c4=O)cc1	ZINC000005260168	557642334	/nfs/dbraw/zinc/64/23/34/557642334.db2.gz	ZLUYCFOZSNTFPW-UHFFFAOYSA-N	0	0	411.443	1.290	40	5		HDBBRN
CCCn1nnc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1	ZINC000057316625	568492654	/nfs/dbraw/zinc/49/26/54/568492654.db2.gz	APECRQONAIMTQR-UHFFFAOYSA-N	0	0	404.456	1.718	40	5		HDBBRN
CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)CC1	ZINC000035461850	569038077	/nfs/dbraw/zinc/03/80/77/569038077.db2.gz	YNYGHXKQBKUAIJ-UHFFFAOYSA-N	0	0	404.448	1.783	40	5		HDBBRN
CCOC(=O)C1=C2C(=O)N(c3cccc(C)c3)C(=O)[C@]2(c2cccc([N+](=O)[O-])c2)NN1	ZINC000016682648	569070279	/nfs/dbraw/zinc/07/02/79/569070279.db2.gz	YMBFBDYKMJKHOI-HRAATJIYSA-N	0	0	422.397	1.810	40	5		HDBBRN
CCCC(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1	ZINC000033899565	569351474	/nfs/dbraw/zinc/35/14/74/569351474.db2.gz	QBKUGEQRWWMBFE-UHFFFAOYSA-N	0	0	421.523	1.755	40	5		HDBBRN
N=C(Nc1ncccc1[N+](=O)[O-])N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1	ZINC000225246159	569376203	/nfs/dbraw/zinc/37/62/03/569376203.db2.gz	DPNHDLFPGCOTCP-INIZCTEOSA-N	0	0	412.406	1.321	40	5		HDBBRN
COc1ccccc1C(=O)N1CCNC(=O)[C@@H]1CC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000009926932	569394587	/nfs/dbraw/zinc/39/45/87/569394587.db2.gz	VAKGAWRVZJBJRZ-INIZCTEOSA-N	0	0	412.402	1.573	40	5		HDBBRN
O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O)OCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000008721702	571106958	/nfs/dbraw/zinc/10/69/58/571106958.db2.gz	YOAVCFSGOGJDHZ-YNHQPCIGSA-N	0	0	418.789	1.781	40	5		HDBBRN
Cn1c2cc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c([N+](=O)[O-])cc2n(C)c1=O	ZINC000408526457	559214962	/nfs/dbraw/zinc/21/49/62/559214962.db2.gz	CBAWEXGSPRUALR-UHFFFAOYSA-N	0	0	416.306	1.854	40	5		HDBBRN
CN(C)C(=O)C[NH2+][C@H]1CCCC[C@]12CN(Cc1ccc([O-])c([N+](=O)[O-])c1)CCO2	ZINC000306123783	568900620	/nfs/dbraw/zinc/90/06/20/568900620.db2.gz	AWPJOBHAFLWNEK-ICSRJNTNSA-N	0	0	406.483	1.492	40	5		HDBBRN
O=C(NC[C@@H]1CC[C@]2(COCCN(Cc3ccc([N+](=O)[O-])o3)C2)O1)c1ccno1	ZINC000306144547	568901760	/nfs/dbraw/zinc/90/17/60/568901760.db2.gz	ZIIDYCAAAGBDRQ-UGSOOPFHSA-N	0	0	406.395	1.356	40	5		HDBBRN
COC(=O)CN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225022961	569323707	/nfs/dbraw/zinc/32/37/07/569323707.db2.gz	HJKRAKTVCQRNGV-UHFFFAOYSA-N	0	0	408.388	1.750	40	5		HDBBRN
Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1	ZINC000107861716	569353021	/nfs/dbraw/zinc/35/30/21/569353021.db2.gz	CBKJVZJYTZKEHK-UHFFFAOYSA-N	0	0	410.431	1.425	40	5		HDBBRN
CC(=O)N[C@@H](Cc1cccn1C)C(=O)NC1CCN(c2ncccc2[N+](=O)[O-])CC1	ZINC000019020114	569414182	/nfs/dbraw/zinc/41/41/82/569414182.db2.gz	VTNFJFRMKMBJAJ-KRWDZBQOSA-N	0	0	414.466	1.161	40	5		HDBBRN
O=[N+]([O-])c1ccccc1N(C[C@@H](O)CN1CCOCC1)S(=O)(=O)c1ccccc1	ZINC000019882259	569433051	/nfs/dbraw/zinc/43/30/51/569433051.db2.gz	DMWNKPHJXKKLSB-INIZCTEOSA-N	0	0	421.475	1.483	40	5		HDBBRN
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)Nc2nc(N3CCCCC3)[nH]c(=O)c21	ZINC000020800111	527262243	/nfs/dbraw/zinc/26/22/43/527262243.db2.gz	OGOUVTDSLUUFAC-ZDUSSCGKSA-N	0	0	412.406	1.733	40	5		HDBBRN
COC(=O)CN1C(=O)N/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C1=O	ZINC000408549314	557395736	/nfs/dbraw/zinc/39/57/36/557395736.db2.gz	SGUXIMOVTOXCET-MDWZMJQESA-N	0	0	401.331	1.929	40	5		HDBBRN
COc1cc(C[C@]2(c3ccc([N+](=O)[O-])cc3)NC(N)=NC2=O)cc(OC)c1OC	ZINC000071974612	559163239	/nfs/dbraw/zinc/16/32/39/559163239.db2.gz	UXCVZNLUCDDLIR-LJQANCHMSA-N	0	0	400.391	1.503	40	5		HDBBRN
O=C(COc1ccc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)cc1)NC[C@H]1CCCO1	ZINC000408607490	559221336	/nfs/dbraw/zinc/22/13/36/559221336.db2.gz	SPJJGXACIHDUDB-LHRNQBEKSA-N	0	0	416.390	1.640	40	5		HDBBRN
O=C(NC(=S)Nc1ncccc1O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000408626121	559222071	/nfs/dbraw/zinc/22/20/71/559222071.db2.gz	ZWOYYXHFUVYGKA-UHFFFAOYSA-N	0	0	403.420	1.659	40	5		HDBBRN
O=C(OCN1C(=O)c2ccccc2C1=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	ZINC000408662013	559223624	/nfs/dbraw/zinc/22/36/24/559223624.db2.gz	MJSANZJCGWEUBJ-GFCCVEGCSA-N	0	0	409.354	1.745	40	5		HDBBRN
C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3ccc(Br)cc3[N+](=O)[O-])C(=O)[C@H]12	ZINC000408734590	559225685	/nfs/dbraw/zinc/22/56/85/559225685.db2.gz	ZAEKDVHAEUYCJO-APYUEPQZSA-N	0	0	409.192	1.553	40	5		HDBBRN
O=C(COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000408997830	559237319	/nfs/dbraw/zinc/23/73/19/559237319.db2.gz	JEOPNWHDVUPPFC-WBVHZDCISA-N	0	0	414.370	1.955	40	5		HDBBRN
CCCN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@@H](C)O[C@H](C)[C@@H]32)C1=O	ZINC000102785421	560827304	/nfs/dbraw/zinc/82/73/04/560827304.db2.gz	XFCKPAHRJYWKFD-OUMSGZHISA-N	0	0	416.434	1.608	40	5		HDBBRN
O=C(COC(=O)[C@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000000858096	568711683	/nfs/dbraw/zinc/71/16/83/568711683.db2.gz	IANBDZPKJSKICM-NVXWUHKLSA-N	0	0	414.370	1.955	40	5		HDBBRN
CCOC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000003040518	568847798	/nfs/dbraw/zinc/84/77/98/568847798.db2.gz	JSCRYBWZAFNSLA-DLBZAZTESA-N	0	0	408.432	1.847	40	5		HDBBRN
O=[N+]([O-])c1ccc(OC[C@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1	ZINC000026781537	569056632	/nfs/dbraw/zinc/05/66/32/569056632.db2.gz	ZXYGAULAYUVPAM-GOSISDBHSA-N	0	0	415.446	1.881	40	5		HDBBRN
COC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225025018	569323704	/nfs/dbraw/zinc/32/37/04/569323704.db2.gz	YLNIFAXVOFYXFY-UHFFFAOYSA-N	0	0	410.404	1.980	40	5		HDBBRN
O=C(CN1C(=O)SC(=C2SC(=O)NC2=O)C1=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000065090532	569391201	/nfs/dbraw/zinc/39/12/01/569391201.db2.gz	ZGRXANCMLBFGFA-MDZDMXLPSA-N	0	0	408.373	1.423	40	5		HDBBRN
CC1=C(C(=O)NCCO[N+](=O)[O-])[C@@H](c2cccc([N+](=O)[O-])c2)C([N+](=O)[O-])=C(C)N1	ZINC000068606503	569399743	/nfs/dbraw/zinc/39/97/43/569399743.db2.gz	LGKOYMUTGBZNMD-CQSZACIVSA-N	0	0	407.339	1.388	40	5		HDBBRN
CC[NH+]1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000071980123	559163520	/nfs/dbraw/zinc/16/35/20/559163520.db2.gz	PJTGLRNCMMTYRW-AWEZNQCLSA-N	0	0	408.367	1.241	40	5		HDBBRN
COC(=O)C1CCN(C(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)CC1	ZINC000220034654	568501409	/nfs/dbraw/zinc/50/14/09/568501409.db2.gz	DOJORPWHLTVOFL-UHFFFAOYSA-N	0	0	413.452	1.081	40	5		HDBBRN
CC[C@H](C(=O)Nc1ccccc1C(N)=O)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222525998	568761646	/nfs/dbraw/zinc/76/16/46/568761646.db2.gz	WNIJYUGRIRSJBI-MRXNPFEDSA-N	0	0	420.447	1.877	40	5		HDBBRN
O=C(Nc1ccccc1[N+](=O)[O-])[C@@H]1CC(=O)Nc2nc(N3CCCCC3)[nH]c(=O)c21	ZINC000022609939	568771621	/nfs/dbraw/zinc/77/16/21/568771621.db2.gz	LMKBPILYCXYRSX-LLVKDONJSA-N	0	0	412.406	1.733	40	5		HDBBRN
O=C(c1cccc([N+](=O)[O-])c1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1	ZINC000059417230	568953146	/nfs/dbraw/zinc/95/31/46/568953146.db2.gz	WKVRWKKAQDLWEQ-UHFFFAOYSA-N	0	0	400.416	1.502	40	5		HDBBRN
CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@@H](n2ccc3cc([N+](=O)[O-])ccc32)OC[C@@H]1OC(C)=O	ZINC000006073951	568992259	/nfs/dbraw/zinc/99/22/59/568992259.db2.gz	VCVRZLCSAQZAAQ-MANSERQUSA-N	0	0	420.374	1.873	40	5		HDBBRN
COC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000224747662	569286979	/nfs/dbraw/zinc/28/69/79/569286979.db2.gz	VFPNZILAIQHUNO-UHFFFAOYSA-N	0	0	410.404	1.980	40	5		HDBBRN
COC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225024282	569323718	/nfs/dbraw/zinc/32/37/18/569323718.db2.gz	CUSPQPSSUZWKKI-UHFFFAOYSA-N	0	0	410.404	1.980	40	5		HDBBRN
CCOC(=O)c1cnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)nc1N	ZINC000024850865	569349874	/nfs/dbraw/zinc/34/98/74/569349874.db2.gz	WXHSFOQYYFSTCZ-UHFFFAOYSA-N	0	0	407.408	1.883	40	5		HDBBRN
COc1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1	ZINC000010384235	569395879	/nfs/dbraw/zinc/39/58/79/569395879.db2.gz	WVXINGZLWBHHCX-KRWDZBQOSA-N	0	0	412.402	1.573	40	5		HDBBRN
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000010543711	569396563	/nfs/dbraw/zinc/39/65/63/569396563.db2.gz	DLKJPNXJLOUMPJ-UHFFFAOYSA-N	0	0	411.461	1.597	40	5		HDBBRN
C[C@H]1O[C@@H](C)CN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@H]12	ZINC000013135577	569409733	/nfs/dbraw/zinc/40/97/33/569409733.db2.gz	VIXMBQCARUTQKT-RWSFTLGLSA-N	0	0	402.407	1.170	40	5		HDBBRN
CCCn1nnc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Br)n1	ZINC000032118961	519896596	/nfs/dbraw/zinc/89/65/96/519896596.db2.gz	UBBSFENYIOEXEW-UHFFFAOYSA-N	0	0	414.245	1.881	40	5		HDBBRN
COC(=O)C1CCN(C(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)CC1	ZINC000220418695	559076833	/nfs/dbraw/zinc/07/68/33/559076833.db2.gz	VVPLWVZHDZDMSV-GFCCVEGCSA-N	0	0	413.452	1.161	40	5		HDBBRN
COC[C@@H](C)NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	ZINC000408613748	559221564	/nfs/dbraw/zinc/22/15/64/559221564.db2.gz	XTVGUIPBBHZORL-CQSZACIVSA-N	0	0	407.448	1.941	40	5		HDBBRN
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2nnc(C)s2)c1	ZINC000408691395	559224374	/nfs/dbraw/zinc/22/43/74/559224374.db2.gz	ZRJHNICIQMDBSQ-UHFFFAOYSA-N	0	0	423.407	1.664	40	5		HDBBRN
C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@H]12	ZINC000408975056	559236319	/nfs/dbraw/zinc/23/63/19/559236319.db2.gz	JHJDZSXFBBIKDU-APYUEPQZSA-N	0	0	409.192	1.553	40	5		HDBBRN
CCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@@H](C)O[C@H](C)[C@@H]32)C1=O	ZINC000102785419	560827271	/nfs/dbraw/zinc/82/72/71/560827271.db2.gz	XFCKPAHRJYWKFD-VIIZEREPSA-N	0	0	416.434	1.608	40	5		HDBBRN
O=[N+]([O-])c1ccc(OS(=O)(=O)CS(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)cc1	ZINC000001703777	569032778	/nfs/dbraw/zinc/03/27/78/569032778.db2.gz	OPAMKJSNBJNJEF-UHFFFAOYSA-N	0	0	418.361	1.578	40	5		HDBBRN
N=C(Nc1ncccc1[N+](=O)[O-])N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1	ZINC000253562725	569383104	/nfs/dbraw/zinc/38/31/04/569383104.db2.gz	DPNHDLFPGCOTCP-MRXNPFEDSA-N	0	0	412.406	1.321	40	5		HDBBRN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccccc1C(N)=O)S(C)(=O)=O	ZINC000113937494	569393580	/nfs/dbraw/zinc/39/35/80/569393580.db2.gz	BJHQQCDCQOKXOW-UHFFFAOYSA-N	0	0	422.419	1.107	40	5		HDBBRN
COc1ccccc1CNC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000010434060	569396032	/nfs/dbraw/zinc/39/60/32/569396032.db2.gz	QBZMIYLZDLJFER-UHFFFAOYSA-N	0	0	407.448	1.994	40	5		HDBBRN
O=C(CN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)OCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000008721701	571107035	/nfs/dbraw/zinc/10/70/35/571107035.db2.gz	YOAVCFSGOGJDHZ-QFBVAWSSSA-N	0	0	418.789	1.781	40	5		HDBBRN
COC(=O)CN1C(=O)N/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)C1=O	ZINC000408548140	557370753	/nfs/dbraw/zinc/37/07/53/557370753.db2.gz	DMKNHDQQUKXTBW-MDWZMJQESA-N	0	0	401.331	1.929	40	5		HDBBRN
COc1cc(C[C@]2(c3cccc([N+](=O)[O-])c3)NC(N)=NC2=O)cc(OC)c1OC	ZINC000071974743	559163255	/nfs/dbraw/zinc/16/32/55/559163255.db2.gz	WMIFVJOKPVJMKF-LJQANCHMSA-N	0	0	400.391	1.503	40	5		HDBBRN
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)NCc2ccco2)c1	ZINC000408650446	559223350	/nfs/dbraw/zinc/22/33/50/559223350.db2.gz	FQOVUTKCEGIZJZ-UHFFFAOYSA-N	0	0	405.363	1.775	40	5		HDBBRN
Cc1nnc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)s1	ZINC000408681552	559224638	/nfs/dbraw/zinc/22/46/38/559224638.db2.gz	FOICQYUMDMYNAN-UHFFFAOYSA-N	0	0	407.408	1.964	40	5		HDBBRN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000409408009	560722574	/nfs/dbraw/zinc/72/25/74/560722574.db2.gz	BKOYGRFAYVXNSZ-UHFFFAOYSA-N	0	0	424.391	1.916	40	5		HDBBRN
Cn1c2[nH]c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)nc2c(=O)n(C)c1=O	ZINC000100970373	560765234	/nfs/dbraw/zinc/76/52/34/560765234.db2.gz	RCOUMROKXZVUIB-UHFFFAOYSA-N	0	0	424.826	1.253	40	5		HDBBRN
CN1CCN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)CC1	ZINC000044802879	560897389	/nfs/dbraw/zinc/89/73/89/560897389.db2.gz	OFNABDBTGAFRMT-UHFFFAOYSA-N	0	0	418.475	1.564	40	5		HDBBRN
CCOC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000003040522	568847883	/nfs/dbraw/zinc/84/78/83/568847883.db2.gz	JSCRYBWZAFNSLA-IRXDYDNUSA-N	0	0	408.432	1.847	40	5		HDBBRN
C[C@@H](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O	ZINC000003065001	568852631	/nfs/dbraw/zinc/85/26/31/568852631.db2.gz	NEBLLYAQXOVEDG-VIFPVBQESA-N	0	0	424.325	1.784	40	5		HDBBRN
O=C(NC[C@H]1CC[C@]2(COCCN(Cc3ccc([N+](=O)[O-])o3)C2)O1)c1ccno1	ZINC000306144544	568901753	/nfs/dbraw/zinc/90/17/53/568901753.db2.gz	ZIIDYCAAAGBDRQ-ACJLOTCBSA-N	0	0	406.395	1.356	40	5		HDBBRN
O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000026533394	569032889	/nfs/dbraw/zinc/03/28/89/569032889.db2.gz	NYQKIMQDSDIMFJ-KRWDZBQOSA-N	0	0	415.446	1.881	40	5		HDBBRN
O=C(NCCN(CCO)C(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1	ZINC000016399809	569041145	/nfs/dbraw/zinc/04/11/45/569041145.db2.gz	VKMSTVKDNICJOS-UHFFFAOYSA-N	0	0	402.363	1.368	40	5		HDBBRN
CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1	ZINC000197792377	569318681	/nfs/dbraw/zinc/31/86/81/569318681.db2.gz	KVJJCPIULGLPRQ-UHFFFAOYSA-N	0	0	407.404	1.771	40	5		HDBBRN
CCOC(=O)c1cnc(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nc1N	ZINC000024208870	569349882	/nfs/dbraw/zinc/34/98/82/569349882.db2.gz	XYAHVPQCMXTTGX-UHFFFAOYSA-N	0	0	407.408	1.883	40	5		HDBBRN
CCC[C@@H]1N=c2s/c(=C/c3ccc([N+](=O)[O-])o3)c(=O)n2C(C)=C1C(=O)OCC	ZINC000108054136	569353355	/nfs/dbraw/zinc/35/33/55/569353355.db2.gz	CGDMDKLEUSJRSK-OQZOHAQUSA-N	0	0	405.432	1.836	40	5		HDBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12	ZINC000008850786	569390521	/nfs/dbraw/zinc/39/05/21/569390521.db2.gz	UWZSQEJSFNNEGX-ZEWFUEFWSA-N	0	0	423.447	1.928	40	5		HDBBRN
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(N)=O)N1c3ccccc3C=C[C@@H]21	ZINC000009090049	569391527	/nfs/dbraw/zinc/39/15/27/569391527.db2.gz	KEKUGUJXCCMEHX-KANFNMMFSA-N	0	0	418.409	1.778	40	5		HDBBRN
COc1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1	ZINC000010384245	569395828	/nfs/dbraw/zinc/39/58/28/569395828.db2.gz	WVXINGZLWBHHCX-QGZVFWFLSA-N	0	0	412.402	1.573	40	5		HDBBRN
CC1=C(C(=O)OCCO[N+](=O)[O-])[C@@H](c2cccc([N+](=O)[O-])c2)C([N+](=O)[O-])=C(C)N1	ZINC000068606453	569399737	/nfs/dbraw/zinc/39/97/37/569399737.db2.gz	BAYMJBBLIJJTSR-CQSZACIVSA-N	0	0	408.323	1.815	40	5		HDBBRN
COC(=O)[C@@H]1Cc2ncn(C(C)C)c2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000015676510	291194614	/nfs/dbraw/zinc/19/46/14/291194614.db2.gz	HIOLOLKUVNKKOF-HNNXBMFYSA-N	0	0	408.436	1.661	40	5	biogenic,in-vitro	HDBBRN
COCc1n[nH]c(-n2ccc3nc4ccn(Cc5ccncc5)c(=O)c4cc3c2=O)n1	ZINC000040399009	523163923	/nfs/dbraw/zinc/16/39/23/523163923.db2.gz	FAKYVNITAVFAQD-UHFFFAOYSA-N	0	0	415.413	1.408	40	5		HDBBRN
CSc1n[nH]c(-n2ccc3nc4ccn(Cc5cccnc5)c(=O)c4cc3c2=O)n1	ZINC000040398881	526205332	/nfs/dbraw/zinc/20/53/32/526205332.db2.gz	DJVSFMSMWBQOOR-UHFFFAOYSA-N	0	0	417.454	1.984	40	5		HDBBRN
CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)C(C)C)CC2)c([N+](=O)[O-])c1	ZINC000408572522	559219214	/nfs/dbraw/zinc/21/92/14/559219214.db2.gz	JFAYHWIPGVXUFB-UHFFFAOYSA-N	0	0	408.480	1.951	40	5		HDBBRN
CC(=O)Nc1cccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	ZINC000408630368	559222976	/nfs/dbraw/zinc/22/29/76/559222976.db2.gz	SMWOTXIRRFMGAT-UHFFFAOYSA-N	0	0	406.420	1.958	40	5		HDBBRN
Cc1cc2c(c([N+](=O)[O-])c1)OCC(CN1CCOCC1)(CN1CCOCC1)C2=O	ZINC000033747902	559239451	/nfs/dbraw/zinc/23/94/51/559239451.db2.gz	RHOCYCQXUHIOSD-UHFFFAOYSA-N	0	0	405.451	1.129	40	5		HDBBRN
CCCNc1nc2nc3ccccn3c(=O)c2cc1C(=O)NCCN1CCOCC1	ZINC000004520301	560608275	/nfs/dbraw/zinc/60/82/75/560608275.db2.gz	ATPPBLPRHKBZBL-UHFFFAOYSA-N	0	0	410.478	1.127	40	5		HDBBRN
CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000013565849	560813406	/nfs/dbraw/zinc/81/34/06/560813406.db2.gz	HUYJERMQHLWIPG-MRXNPFEDSA-N	0	0	424.841	1.752	40	5		HDBBRN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1cccnc1	ZINC000002720508	560885222	/nfs/dbraw/zinc/88/52/22/560885222.db2.gz	WROXGXCJJGHQPJ-MOHJPFBDSA-N	0	0	403.398	1.499	40	5		HDBBRN
COc1ccccc1CNC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O	ZINC000220026555	568501349	/nfs/dbraw/zinc/50/13/49/568501349.db2.gz	PJXZXDSQBLPNPT-UHFFFAOYSA-N	0	0	407.448	1.994	40	5		HDBBRN
Cc1ccc(C)c(NC(=O)COC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1	ZINC000003468268	568906817	/nfs/dbraw/zinc/90/68/17/568906817.db2.gz	RYZOPIQHOBDZEA-UHFFFAOYSA-N	0	0	411.370	1.990	40	5		HDBBRN
COc1ccccc1OCCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000223775502	569031571	/nfs/dbraw/zinc/03/15/71/569031571.db2.gz	QQMSUGCJGOKKSJ-UHFFFAOYSA-N	0	0	423.447	1.565	40	5		HDBBRN
Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000006233954	569033725	/nfs/dbraw/zinc/03/37/25/569033725.db2.gz	VVCUTUJTMCWSIS-UHFFFAOYSA-N	0	0	406.416	1.998	40	5		HDBBRN
O=C(NCCN(CCO)C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	ZINC000016400982	569041110	/nfs/dbraw/zinc/04/11/10/569041110.db2.gz	AELKIMHQNWVIIP-UHFFFAOYSA-N	0	0	402.363	1.368	40	5		HDBBRN
COc1cccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)CCC2=O)c1	ZINC000008475271	569341274	/nfs/dbraw/zinc/34/12/74/569341274.db2.gz	BWTLCBCCRVDHSU-UHFFFAOYSA-N	0	0	411.370	1.993	40	5		HDBBRN
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(C(N)=O)cc1)S(C)(=O)=O	ZINC000010313952	569343387	/nfs/dbraw/zinc/34/33/87/569343387.db2.gz	URGGQIIRBFXZLX-UHFFFAOYSA-N	0	0	406.420	1.407	40	5		HDBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000019159395	569414294	/nfs/dbraw/zinc/41/42/94/569414294.db2.gz	VFYYSVGPQHVRJU-UHFFFAOYSA-N	0	0	421.431	1.877	40	5		HDBBRN